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The ligand is identified by using the atomic coordinates of an Eg5 crystal to generate a three dimensional structure. The three dimensional structure is used in molecular modeling techniques and docking experiments to identify ligands that bind to the binding pocket of Eg5. A novel binding pocket is identified. The invention also provides a crystallized Eg5 and ligand complex.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"}]},"abstract_lang":["en"],"has_abstract":true,"claim":{"en":[{"text":"1. A method for identifying an Eg5 binding ligand, the method comprising: (a) generating a three dimensional structure of an Eg5 protein using the atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3 with a Root Mean Square Deviation (RMSD) for all heavy atoms being less than 2.5 Å, wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues; (b) identifying a pharmacophore of a compound capable of binding with the said three dimensional structure of said Eg5 protein wherein said pharmacophore is: wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; (c) designing an Eg5 binding ligand with the based on said pharmacophore; (d) synthesizing said ligand; and (e) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity thereby identifying said Eg5 binding ligand.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"},{"text":"2. The method of claim 1 wherein the compound is selected from the group consisting of N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide (1), N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (2), N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide (3), N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide (4), N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide (5), and N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (6).","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"},{"text":"3. A method for identifying an Eg5 binding ligand, the method comprising: (a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide wherein said co-crystal complex has unit cell dimensions a=−80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P2 1 2 1 2 1 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues; (b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3; (c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide capable of binding with said Eg5 protein wherein said pharmacophore is: wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and (d) designing an Eg5 binding ligand based on said pharmacophore; (e) synthesizing said ligand; and (f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"},{"text":"4. A method for identifying an Eg5 binding ligand, the method comprising: (a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P2 1 2 1 2 1 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues; (b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3; (c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide capable of binding with said Eg5 protein wherein said pharmacophore is: wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and (d) designing an Eg5 binding ligand based on said pharmacophore; (e) synthesizing said ligand; and (f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"},{"text":"5. A method for identifying an Eg5 binding ligand, the method comprising: (a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P2 1 2 1 2 1 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues; (b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3; (c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide capable of binding with said Eg5 protein wherein said pharmacophore is: wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and (d) designing an Eg5 binding ligand based on said pharmacophore; (e) synthesizing said ligand; and (f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"},{"text":"6. A method for identifying an Eg5 binding ligand, the method comprising: (a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P2 1 2 1 2 1 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues; (b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3; (c) identifying a pharmacophore of said N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide capable of binding with said Eg5 protein wherein said pharmacophore is: wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and (d) designing an Eg5 binding ligand based on said pharmacophore; (e) synthesizing said ligand; and (f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"},{"text":"7. A method for identifying an Eg5 binding ligand, the method comprising: (a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P2 1 2 1 2 1 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues; (b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3; (c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide capable of binding with said Eg5 protein wherein said pharmacophore is: wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and (d) designing an Eg5 binding ligand based on said pharmacophore; (e) synthesizing said ligand; and (f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"},{"text":"8. A method for identifying an Eg5 binding ligand, the method comprising: (a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P2 1 2 1 2 1 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues; (b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3; (c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide capable of binding with said Eg5 protein wherein said pharmacophore is: wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and (d) designing an Eg5 binding ligand based on said pharmacophore; (e) synthesizing said ligand; and (f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity.","lang":"en","source":"USPTO_FULLTEXT","data_format":"ORIGINAL"}]},"claim_lang":["en"],"has_claim":true,"description":{"en":{"text":"This application claims benefit under 35 U.S.C. §119(e) of U.S. Provisional Application Ser. No. 60/530,561, filed Dec. 18, 2003; which is hereby incorporated by reference in its entirety. FIELD OF THE INVENTION This invention relates to the three-dimensional structures of the kinesin Eg5 bound to ligands; to methods for forming co-crystals of the Eg5 ligand complex; and to methods for using the three-dimensional structure of the co-crystal to identify possible therapeutic compounds for the treatment of Eg5 mediated diseases. BACKGROUND OF THE INVENTION Kinesins are motor proteins that use adenosine triphosphate to bind to microtubules and generate mechanical force. Kinesins are characterized by a motor domain having about 350 amino acid residues. The crystal structures of several kinesin motor domains have been resolved. Currently, about one hundred kinesin-related proteins (KRP) have been identified. Kinesins are involved in a variety of cell biological processes including transport of organelles and vesicles, and maintenance of the endoplasmatic reticulum. Several KRPs interact with the microtubules of the mitotic spindle or with the chromosomes directly, and appear to play a pivotal role during the mitotic stages of the cell cycle. These mitotic KRPs are of particular interest for the development of cancer therapeutics. Eg5 (also known as HsEg5, KNSL1, or KSP) is one of several kinesin-like motor proteins that are localized to the mitotic spindle and known to be required for formation and/or function of the bipolar mitotic spindle. In 1995, the depletion of Eg5 using an antibody directed against the C-terminus of Eg5 was shown to arrest HeLa cells in mitosis with monoastral microtubule arrays (Blangy et al., Cell 83:1159-1169, 1995). Mutations in bimC and cut7 genes, which are considered to be homologues of Eg5, cause failure in centrosome separation in Aspergillus nidulans (Enos, A. P., and N. R. Morris, Cell 60:1019-1027, 1990) and Schizosaccharomyces pombe (Hagan, I., and M. Yanagida, Nature 347:563-566, 1990). Treatment of cells with either ATRA (all trans-retinoic acid), which reduces HsEg5 expression on protein level, or depletion of HsEg5 using antisense oligonucleotides revealed a significant growth inhibition in DAN-G pancreatic carcinoma cells indicating that HsEg5 might be involved in the antiproliferative action of all trans-retinoic acid (Kaiser, A., et al., J. Biol. Chem. 274, 18925-18931, 1999). Interestingly, the Xenopus laevis Aurora-related protein kinase pEg2 was shown to associate and phosphorylate X1Eg5 (Giet, R., et al., J. Biol. Chem. 274:15005-15013, 1999). Potential substrates of Aurora-related kinases are of particular interest for cancer drug development. For example, Aurora 1 and 2 kinases are overexpressed on protein and RNA level and the genes are amplified in colon cancer patients. The first cell permeable small molecule inhibitor for HsEg5, “monastrol”, was shown to arrest cells with monopolar spindles without affecting microtubule polymerization as do conventional chemotherapeutics such as taxanes and vinca alkaloids (Mayer, T. U., et al., Science 286:971-974, 1999). Monastrol was identified as an inhibitor in phenotype-based screens and it was suggested that this compound may serve as a lead for the development of anticancer drugs. The inhibition was determined not to be competitive in respect to adenosine triphosphate and to be rapidly reversible (DeBonis, S., et al., Biochemistry 42:338-349, 2003; Kapoor, T. M., et al., J. Cell Biol. 150:975-988, 2000). Recently, other Eg5 kinesin inhibitors have been described. WO 02/057244 and WO 02/056880 describe phenothiazine compounds and triphenylmethane compounds, respectively, for treating proliferative diseases. WO 02/078639 describes cyano-substituted dihydropyrimidine compounds for treating proliferative diseases. U.S. Pat. No. 6,472,521 describes oligonucleotides and oligonucleotide derivatives for inhibiting human Eg5 expression. WO 01/98278, WO 01/30768, and WO 03/039460 describe quinazolinone compounds that are useful in treating cellular proliferative diseases associated with KSP kinesin activity. The compounds described in these references are 22-aminomethyl)quinazolinone derivatives. The quinazolinone compounds described in WO 01/98278 and WO 01/30768 have 2-aminomethyl substituents that are either amine, amide, or sulfonamide substituents. The quinazolinone compounds described in WO 03/039460 have the amino group of the 2-aminomethyl substituent incorporated into a 5-12 membered nitrogen-containing heterocycle. A crystal structure of Eg5 bound to ADP-Mg was recently determined (J. Biol. Chem., Vol. 276, No. 27, pp. 25496-25502). However, this crystal structure does not provide information with respect to the manner in which inhibitors bind Eg5. Consequently, the design of Eg5 inhibitors can be greatly facilitated if a crystal structure of an inhibitor complexed to Eg5 were to be determined. Recently, a crystal structure of Eg5 bound to Eg 5 ligands was published (WO 2004/004652. This publication identified a binding pocket of Eg5. Nevertheless, there is a need to identify an Eg5 binding pocket that differs from the binding pocket disclosed in WO 2004/004652. SUMMARY OF THE INVENTION This invention relates to the three-dimensional structures of the kinesin, Eg5, bound to ligands; to methods for forming co-crystals of the Eg5 ligand complex; and to methods for using the three-dimensional structure of the co-crystal to identify possible therapeutic compounds for the treatment of Eg5 mediated diseases. The present invention provides a method of identifying an Eg5 binding ligand. The method comprises using some or all of the atomic coordinates provided in Table 4, or Table 10 to generate a three dimensional structure. The three dimensional structure is employed to design or select a ligand. The ligand may be synthesized and contacted with an Eg5 protein, and Eg5 mutant protein or a variant thereof to determine the ability of the ligand to bind to the protein. Upon binding of a ligand to an Eg5 protein, the binding of the ligand modifies Eg5 activity. Typically, the activity of Eg5 is determined by assays as described in Example 9. herein incorporated by reference. The activity of Eg5 can be determined by other methods known by one skilled in the art. The ligand may be selected from ligand database or it may be synthesized de novo. Alternatively, the ligand may be designed by modifying a known Eg5 binding ligand. In another embodiment the method of identifying an Eg5 binding ligand comprises the use of Eg5 amino acids listed in tables 1, 2, 3, 4, 5, 6, 7, 8, 9, or 10. Preferably, the method of identifying and Eg5 binding ligand uses the amino acids listed in tables 1, 2, 3, 5, 6, 7, 8, or 9. In another aspect, the ligand is designed by identifying a chemical entity or a chemical fragment associating with Eg5 and assembling one or more of the identified entities or fragments into a single molecule to provide the structure of the ligand. This invention also provides a method of crystallizing an Eg5 protein bound to a ligand. This method comprises the steps of providing an Eg5 protein, contacting the Eg5 protein with a ligand and crystallizing the Eg5 protein and ligand complex from a precipitating solution to provide a crystallized complex. The pH of the precipitating solution is between around 2 and around 7. Alternatively the pH of the precipitating solution is between 3 and 7, between 4 and 6.5. Preferably, the pH of the precipitating solution is between 5 and 6. The Eg5 protein and ligand complex can also be prepared by a hanging drop vapor diffusion method. A crystal of Eg5 may be prepared from a precipitating solution to provide crystallized Eg5. A precipitating solution containing Eg 5 is prepared. The pH of the precipitating solution is between around 2 and around 7. Alternatively the pH of the precipitating solution is between 3 and 7, between 4 and 6.5. Preferably, the pH of the precipitating solution is between 5 and 6. The Eg5 protein and ligand complex can also be prepared by a hanging drop vapor diffusion method. Example 8 describes the crystallization of Eg5 protein and also describes the crystallization of a ligand bound to Eg5. Alternatively, the Eg5 and ligand complex can be prepared by soaking a ligand into an Eg5 crystal. In this method, the Eg5 crystal is prepared as described above. Next, the Eg5 crystal is placed in a solution containing between 0.5 and 100 mM ligand. The Eg5 crystal is incubated in the ligand solution for a period of time. Typically the incubation is from between 2 to 48 hours at 4° C. The atomic coordinates of crystallized Eg5 protein bound to ligand are set forth in tables 4 and 10. These crystallized complexes have the space group P212121. The crystallized complex of Eg5 and a ligand of this invention comprises a ligand selected from the group consisting of N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide 1, N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide 2, N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide 3, N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide 4, N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide 5, or N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide 6. Another aspect of this invention provides a computer for producing a three-dimensional representation of an Eg5 and ligand complex wherein the Eg5 and ligand complex comprises a binding pocket defined by Eg5 amino acid residues provided in a table selected from the group consisting of table 1, 2, 3, 5, 6, 7, 8, and 9. The computer comprises: (a) machine-readable data storage medium comprising a data storage material encoded with machine-readable data, wherein said data comprises at least a portion of the atomic coordinates set forth in Table 4 or 10; (b) a working memory for storing instructions for processing said machine-readable data; (c) a central-processing unit coupled to said working memory and to said machine-readable data storage medium for processing said machine readable data into said three-dimensional representation; and (d) a means for displaying said three-dimensional representation. BRIEF DESCRIPTION OF THE DRAWINGS The foregoing aspects and many of the attendant advantages of this invention will become more readily appreciated as the same become better understood by reference to the following detailed description, when taken in conjunction with the accompanying figures and tables, wherein: FIG. 1 . Binding mode with B and Q groups in close proximity within pocket P upon ligand compound 1 binding. FIG. 2 . Binding mode with B and Q groups in close proximity within pocket P upon ligand compound 2 binding. FIG. 3 . Binding mode upon ligand compound 3 binding. When compound 3 binds a new pocket “P′” is formed. DETAILED DESCRIPTION OF THE INVENTION Crystallization of Eg5/Ligand Complex N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide shown below was synthesized as shown in Example 1. Synthesis of this compound was disclosed in U.S. 60/480,180, the contents of which are hereby incorporated by reference. N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide shown below was synthesized as shown in Example 2. Synthesis of this compound was disclosed in U.S. 60/580,927, the contents of which are hereby incorporated by reference. N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide shown below was synthesized as shown in Example 3. Synthesis of this compound was disclosed in U.S. 60/580,927, the contents of which are hereby incorporated by reference. N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide shown below was synthesized as shown in Example 4. Synthesis of this compound was disclosed in U.S. 60/580,927, the contents of which are hereby incorporated by reference. N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide shown below was synthesized as shown in Example 5. Synthesis of this compound was disclosed in U.S. 60/620,385, the contents of which are hereby incorporated by reference. N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide shown below was synthesized as shown in Example 6. Synthesis of this compound was disclosed in U.S. 60/620,385, the contents of which are hereby incorporated by reference. The Eg5 protein was expressed as described in Example 7. A representative method for forming suitable crystals of the Eg5/ligand complex suitable for structure determination was described in Example 8. It will be appreciated that various crystallization methods including, for example, microcrystallization methods can be utilized to obtain three-dimensional structural information useful in identifying possible therapeutic compounds in the treatment of various disease conditions mediated by Eg5 activity. Eg5/Ligand Structural Representation. As noted above, in one aspect, the invention provides a method for identifying possible therapeutic compounds in the treatment of various disease conditions mediated by Eg5 activity. The method involves the use of a three-dimensional structural representation of the Eg5/ligand complex. Variants of the atomic coordinates noted in Table 4-10 can also be used for the invention such as variants in which the RMS deviation of the x, y, and z coordinates for all heavy (i.e., not hydrogen) atoms are less than about 2.5 Å, for example, less than about 2 Å, preferably less than about 1 Å, more preferably less than about 0.5 Å, or most preferably less than about 0.1 Å compared with the atomic coordinates noted in Table 2. Coordinate transformations that retain the three-dimensional spatial relationships of atoms can also be used to give suitable variants. The cocrystal structure of Eg5 complexed with N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide 1, N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide 2, N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide 3, N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide 4, N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide 5, and N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide 6 were analyzed with the program QUANTA for structural differences between the drug-bound form of the protein and the unbound form of the protein (represented by PDB accession code 1II6). Eg5 protein and ligand complexes crystallize as a dimer. The atomic coordinates shown in Tables 4 and 10 provide coordinates of both monomers. The monomers are designated in Tables 4 and 5 as “A” and “B.” The ligand-bound form of the protein shows a major structural rearrangement of the loop containing amino acid residues 119-127. In the unbound form, this loop extends away from the body of the protein structure. In the ligand-bound form, this loop flips toward the body of the protein, forming a pocket for the ligand to bind. Especially critical in this interaction are Tyr-211 and Trp-127, which form an ‘aromatic’ network with the ligand. The amino acid residues within an approximately 12, 14, or 17 Angstrom (Ang.) sphere of the bound ligand are listed in Tables 1-3 respectively. (Note: The A in the amino acid number indicates that the A molecule in the dimer was examined). TABLE 1Eg5 binding pocket residues based on an approximate 17 Ang. sphere.LYS A 77GLN A 78ILE A 79VAL A 81TYR A 82VAL A 86ILE A 101PHE A 102ALA A 103GLY A 108THR A 109GLY A 110LYS A 111THR A 112PHE A 113THR A 114MET A 115GLU A 116GLY A 117GLU A 118ARG A 119SER A 120PRO A 121ASN A 122GLU A 123GLU A 124TYR A 125THR A 126TRP A 127GLU A 128GLU A 129ASP A 130PRO A 131LEU A 132ALA A 133GLY A 134ILE A 135ILE A 136PRO A 137ARG A 138THR A 139LEU A 140HIS A 141GLN A 142ILE A 143PHE A 144LYS A 157VAL A 158SER A 159LEU A 160LEU A 161GLU A 162LEU A 171LEU A 172ILE A 202VAL A 204LYS A 207ASP A 208GLU A 209VAL A 210TYR A 211GLN A 212ILE A 213LEU A 214GLU A 215LYS A 216GLY A 217ALA A 218ALA A 219LYS A 220ARG A 221THR A 222THR A 223SER A 232SER A 233HIS A 236SER A 237VAL A 238PHE A 239SER A 240VAL A 241LEU A 261ASN A 262LEU A 263VAL A 264ASP A 265LEU A 266 TABLE 2Eg5 binding pocket residues based on an approximate 14 Ang. sphere.ARG A 24GLN A 78ILE A 79TYR A 82VAL A 86ALA A 103GLY A 110LYS A 111THR A 112PHE A 113THR A 114MET A 115GLU A 116GLY A 117GLU A 118ARG A 119SER A 120PRO A 121TYR A 125THR A 126TRP A 127GLU A 128GLU A 129ASP A 130PRO A 131LEU A 132ALA A 133GLY A 134ILE A 135ILE A 136PRO A 137ARG A 138THR A 139LEU A 140HIS A 141GLN A 142VAL A 158SER A 159LEU A 160GLU A 162LEU A 171LEU A 172VAL A 204LYS A 207ASP A 208GLU A 209VAL A 210TYR A 211GLN A 212ILE A 213LEU A 214GLU A 215LYS A 216GLY A 217ALA A 218ALA A 219LYS A 220ARG A 221THR A 222SER A 232SER A 237VAL A 238PHE A 239SER A 240VAL A 241LEU A 263VAL A 264ASP A 265 TABLE 3Eg5 binding pocket residues based on an approximate 12 Ang. sphere.GLN A 78GLY A 110LYS A 111THR A 112PHE A 113THR A 114MET A 115GLU A 116GLY A 117GLU A 118ARG A 119SER A 120THR A 126TRP A 127GLU A 128ASP A 130PRO A 131LEU A 132ALA A 133GLY A 134ILE A 135ILE A 136PRO A 137ARG A 138THR A 139LEU A 140HIS A 141VAL A 158LEU A 160LEU A 172GLU A 209VAL A 210TYR A 211GLN A 212ILE A 213LEU A 214GLU A 215LYS A 216GLY A 217ALA A 218ALA A 219ARG A 221SER A 237PHE A 239LEU A 263ASP A 265 Eg5 Ligands The term “ligand” used herein refers to compounds that bind Eg5 and modulate its activity, and does not include compounds such as adenosine diphosphate and adenosine triphophate. As used herein, “ligand” is used interchangeably with “drug,” “molecule,” or “compound.” Upon binding or association of a ligand to Eg5, the activity of Eg5 is inhibited. Eg5 activity is determined as described in Example 9. The term “ligand binding site” and “binding site” are used interchangeably and refer to amino acid residues of Eg5 near the ligand of the ligand and Eg5 complex. The ligand binding site encompasses the Eg5 amino acid residues that interact with the ligand. The amino acid residues of the ligand binding site are determined by identifying all of the amino acid residues within, for example, a 20 angstrom radius (shell) of the ligand in the ligand and Eg5 complex. Alternatively, the amino acid residues of the ligand binding site are the amino acid residues within 20, 19, 18, 17, 16, 15, 14, 13, 12, 11, or 10 angstrom radius from the ligand. Tables 1, 2, 3, 4, 5, 6, 7, 8, 9, and 10 identify amino acid residues of the ligand binding pockets of an Eg5 and ligand complex as described herein. The term “variant” of a Eg5 protein refers to a polypeptide having an amino acid sequence with one or more amino acid substitutions, insertions, and/or deletions compared to the sequence of the invention receptor protein. The term “Eg5 and ligand complex” refers to a complex of a ligand and Eg5 comprising Eg5 and a ligand bound at the ligand binding site. Most lead compounds that initiate structure-based design cycles are identified by high-throughput screening. As a result of high throughput screening and the ligand profile and virtual screening described above, ligands are identified having the requisite conformational energies to assume a suitable shape and bind with the protein's active site. In addition to having low conformational energy and spatial compatibility with the apoprotein active site, the identified ligands are preferably synthetically accessible. The identified ligands can then be obtained (e.g., commercially obtained or synthesized) and screened for biological activity using the assay described in Example 8. The identified ligands can also be co-crystallized with the protein and the three-dimensional structure determined for the protein with bound ligand. The information obtained from structure of the protein with bound ligand can then be used to further develop the ligand profile as described above. The method of the invention identifies ligands that can interact with Eg5. These compounds can be designed de novo, can be known compounds, or can be based on known compounds. Known Eg5 binding compounds include those described in WO 01/98278, WO 01/30768, WO 02/057244, WO 02/056880, WO 02/078639, WO03/039460, and U.S. Pat. No. 6,472,521. The compounds can be useful pharmaceuticals themselves, or can be prototypes that can be used for further pharmaceutical refinement (i.e., lead compounds) in order to improve binding affinity or other pharmacologically important features (e.g., bio-availability, toxicology, metabolism, pharmacokinetics). Accordingly, in another aspect, the invention provides (1) a compound identified using the method of the invention; (2) a compound identified using the method of the invention for use as a pharmaceutical; (3) the use of a compound identified using the method of the invention in the manufacture of a medicament for mediating Eg5 activity; and (4) a method of treating a patient afflicted with a condition mediated by Eg5 activity that includes administering an amount of a compound identified using the method of the invention that is effective to mediate Eg5 activity. These compounds interact with Eg5 with a binding constraint in the micromolar or, more preferably, nanomolar range or stronger. As well as being useful compounds individually, ligands identified by the structure-based design techniques can also be used to suggest libraries of compounds for traditional in vitro or in vivo screening methods. Important pharmaceutical motifs in the ligands can be identified and mimicked in compound libraries (e.g., combinatorial libraries) for screening for Eg5-binding activity. Identification of Eg5 Ligands The structural information obtained from the crystallographic data can be used to develop a ligand profile useful for the rational design of compounds for mediating Eg5 activity. The ligand profile can be primarily based on a shape interaction between the ligand and the protein ligand binding site. The evaluation of the shape interaction can include consideration of the ligand's conformational properties, ranking ligands based on their ability to achieve low energy conformations compatible with the ligand binding site. The shape interaction can also seek to maximize enthalpic interactions between the ligand and the binding site. The process of developing a ligand profile can vary widely. For example, the profile can be developed by visual inspection of active site structures by experts. Such an inspection can include the consideration of the binding site and ligand structures and compound database searching. The development of the profile can also consider biological data and structure activity relationships (SAR) as well the consideration of known ligand binding interaction with other similar proteins. In any event, the ligand profile is developed by considering ligand binding interactions including primary and secondary interactions and results in defining the pharmacophore. The term “pharmacophore” refers to a collection of chemical features and three-dimensional constraints that represent specific characteristics responsible for a ligand's activity. The pharmacophore includes surface-accessible features, hydrogen bond donors and acceptors, charged/ionizable groups, and/or hydrophobic patches, among other features. In addition to the process for ligand profile development noted above, other structure-based drug design techniques can be applied to the structural representation of the Eg5 in order to identify compounds that interact with Eg5 to mediate Eg5 activity. A variety of suitable techniques are available to one of ordinary skill in the art. Software packages for implementing molecular modeling techniques for use in structure-based drug design include SYBYL™ (available from Tripos Inc.); AMBER (available from Oxford Molecular); CERIUS 2 (available from Molecular Simulations Inc.); INSIGHT II (available from Molecular Simulations Inc.); CATALYST (available from Molecular Simulations Inc.); QUANTA (available from Molecular Simulations Inc.); HYPERCHEM (available from Hypercube Inc.); FIRST DISCOVERY (available from Schrodinger Inc.), MOE (available from Chemical Computing Group), and CHEMSITE (available from Pyramid Learning), among others. The modeling software can be used to determine Eg5 binding surfaces and to reveal features such as van der Waals contacts, electrostatic interactions, and/or hydrogen bonding opportunities. These binding surfaces can be used to model docking of ligands with Eg5, to arrive at pharmacophore hypotheses, and to design possible therapeutic compounds de novo. Eg5 Ligand Virtual Screening The three-dimensional structure of the apoprotein, and the structure of the protein's active site in particular, allows for the determination of the fit of compounds into the active site. Utilizing a fast docking program, individual compounds from, for example, a compound database, can be evaluated for active site binding. The fit of a particular compound can be evaluated and scored. Setting a score threshold can then provide a family of compounds as a solution to the virtual screen. At the first level, the virtual screen takes into account the three-dimensional structure of the apoprotein's active site. At the second level, the virtual screen considers the ligand profile and can utilize information obtained from the determination of the structure of protein with bound ligand. A virtual screen is possible even if there is no structural information on a bound ligand. Information gained from the virtual screen can be considered to further develop the ligand profile. Alternatively, where the results of the virtual screen indicate a promising compound, the compound can be obtained and screened for the relevant biological activity. Docking Docking refers to a process in which two or more molecules are aligned based on energy considerations. Docking aligns the three-dimensional structures of two or more molecules to predict the conformation of a complex formed from the molecules (see, e.g., Blaney & Dixon (1993) Perspectives in Drug Discovery and Design 1:301). In the practice of the present invention molecules are docked with the Eg5 structure to assess their ability to interact with Eg5. Docking can be accomplished by either geometric matching of the ligand and its receptor or by minimizing the energy of interaction. Geometric matching algorithms are preferred because of their relative speed. Suitable docking algorithms include DOCK (Kuntz et al. (1982) J. Mol. Biol. 161:269-288, available from UCSF), the prototypical program for structure-based drug design; AUTODOCK (Goodsell & Olson (1990) Proteins: Structure, Function and Genetics 8:195-202 and available from Oxford Molecular), which docks ligands in a flexible manner to receptors using grid-based Monte Carlo simulated annealing. The flexible nature of the AUTODOCK procedure helps to avoid bias (e.g., in orientation and conformation of the ligand in the active site) introduced by the user searcher (Meyer et al. (1995) Persp. Drug Disc. 3:168-95) because, while the starting conformation in a rigid docking is normally biased towards a minimum energy conformation of the ligand, the binding conformation may be of relatively high conformational energy (Nicklaus et al (1995) Bioorganic & Medicinal Chemistry 3:411). Other suitable docking algorithms include MOE DOCK (available from Chemical Computing Group Inc.), in which a simulated annealing search algorithm is used to flexibly dock ligands and a grid-based energy evaluation is used to score docked conformations; FLExX (available from Tripos Inc.), which docks conformationally flexible ligands into a binding site using an incremental construction algorithm that builds the ligand in the site, and scores docked conformations based on the strength of ligand-receptor interactions; GOLD (Jones et al. (1997) J. Mol. Biol. 267:727-748), a genetic algorithm for flexible ligand docking, with full ligand and partial protein flexibility, and in which energy functions are partly based on conformation and non-bonded contact information; AFFINITY (available from Molecular Simulations Inc.), which uses a two step process to dock ligands: first, initial placements of the ligand within the receptor are made using a Monte Carlo-type procedure to search both conformational and Cartesian space; and second, a simulated annealing phase optimizes the location of each ligand placement, during this phase, AFFINITY holds the “bulk” of the receptor (atoms not in the binding site) rigid, while the binding site atoms and ligand atoms are movable; C 2 LigandFit (available from Molecular Simulations Inc.), which uses the energy of the ligand-receptor complex to automatically find best binding modes and stochastic conformation search techniques, with the best results from the conformational sampling retained. A grid method is used to evaluate non-bonded interactions between the rigid receptor and the flexible ligand atoms. DOCKIT (available from Metaphorics LLC) uses distance geometry for fast flexible ligand docking. GLIDE (available from Schrodinger Inc.) uses a pre-computed energy grid and an efficiently pruned systematic search for flexible docking. Preferably, the docking algorithm is used in a high-throughput mode, in which members of large structural libraries of potential ligands are screened against the receptor structure (Martin (1992) J. Med. Chem. 35:2145-54). Suitable structural libraries include the ACD (Available Chemical Directory, form MDL Inc.), AsInEx, Bionet, ComGenex, the Derwent World Drug Index (WDI), the Contact Service Company database, LaboTest, ChemBridge Express Pick, ChemStar, BioByteMasterFile, Orion, SALOR, TRIAD, ILIAD, the National Cancer Institute database (NCI), and the Aldrich, Fluka, Sigma, and Maybridge catalogs. These are commercially available (e.g., the HTS Chemicals collection from Oxford Molecular, or the LeadQuest™ files from Tripos). De Novo Compound Design. The binding surface or pharmacophore of the Eg5/ligand complex can be used to map favorable interaction positions for functional groups (e.g., protons, hydroxyl groups, amine groups, acidic groups, hydrophobic groups and/or divalent cations) or small molecule fragments. Compounds can then be designed de novo in which the relevant functional groups are located in the correct spatial relationship to interact with Eg5. Once functional groups or small molecule fragments which can interact with specific sites in the binding surface of Eg5 have been identified, they can be linked in a single compound using either bridging fragments with the correct size and geometry or frameworks which can support the functional groups at favorable orientations, thereby providing a compound according to the invention. While linking of functional groups in this way can be done manually, perhaps with the help of software such as QUANTA or SYBYL™, automated or semi-automated de novo design approaches can also be used. Suitable de novo design software includes MCDLNG (Gehlhaar et al. (1995) J. Med. Chem. 38:466-72), which fills a receptor binding site with a close-packed array of generic atoms and uses a Monte Carlo procedure to randomly vary atom types, positions, bonding arrangements and other properties; MCSS/HOOK (Caflish et al. 1993) J. Med. Chem. 36:2142-67; Eisen et al. (1994) Proteins: Str. Funct Genet. 19:199-221; available from Molecular Simulations Inc.), which links multiple functional groups with molecular templates taken from a database; LUDI (Bohm (1992) J. Comp. Aided Molec. Design 6:61-78, available from Molecular Simulations Inc.), which computes the points of interaction that would ideally be fulfilled by a ligand, places fragments in the binding site based on their ability to interact with the receptor, and then connects them to produce a ligand; GROW (Moon and Howe (1991) Proteins: Str. Funct. Genet. 11:314-328), which starts with an initial “seed” fragment (placed manually or automatically) and grows the ligand outwards; SPROUT, which includes molecules to identify favorable hydrogen bonding and hydrophobic regions within a binding pocket (HIPPO module), selects functional groups and positions them at target sites to form starting fragments for structure generation (EleFanT), generates skeletons that satisfy the steric constraints of the binding pocket by growing spacer fragments onto the start fragments and then connecting the resulting part skeletons (SPIDeR), substitutes hetero atoms into the skeletons to generate molecules with the electrostatic properties that are complementary to those of the receptor site (MARABOU), and the solutions can be clustered and scored using the ALLigaTOR module; LEAPFROG (available from Tripos Inc.), which evaluates ligands by making small stepwise structural changes and rapidly evaluating the binding energy of the new compound, keeps or discards changes based on the altered binding energy, and evolves structures to increase the interaction energy with the receptor; GROUPBUILD (Rorstein et al. (1993) J. Med. Chem. 36:1700), which uses a library of common organic templates and a complete empirical force field description of the non-bonding interactions between a ligand and receptor to construct ligands that have chemically reasonable structure and have steric and electrostatic properties complimentary to the receptor binding site; CAVEAT (Lauri and Bartlett (1994) Comp. Aided Mol. Design 8:51-66), which designs linking units to constrain acyclic molecules; and RASSE (Lai (1996) J. Chem. Inf. Comput. Sci. 36:1187-1194). Eg5 Pharmacophore Using the coordinates provided herein, an Eg5 inhibitor pharmacophore model was analyzed. The pharmacophore, a ligand comprising an amide, is shown below. A member of this pharmacophore, N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide 1 binds with the B and Q groups in close proximity within a single pocket “pocket P” of the binding site formed in part by Arg 119, trp 127, pro 137, ala133, glu 130, tyr 211, val 210, leu 214 ( FIG. 1 ). Phenylimidazole 2 binds similarly, with the benzyl and p-methylphenyl rings in a similar “P” pocket as shown in FIG. 2 . Replacement of the isopropyl group with t-butyl, as in 3, causes a new binding mode, where the amide bond rotates 180 degrees. Group Q moves out of the “P” pocket to lie in a solvent exposed channel, and the pocket collapses around the remaining group B, forming a smaller pocket “P′”. The phenylimidazole also slides slightly out of its heterocycle pocket in adjustment adjust for this change ( FIG. 3 ). Compound 3 binds in a new, smaller pocket, P′. Adding substituents to the phenyl of the phenyl imidazole may produce a similar change. For example, in 4, addition of a Cl to the phenyl ring slides it slightly out of the heterocycle pocket producing a similar conformational change. Similar binding mode changes occur when the heterocycle is benzimidazole rather than phenylimidazole. For example, the benzimidazole 5 binds with both B and Q groups in a larger P-like pocket, but addition of a Br to the benzimidazole ring of 6 induces the conformational change so group B binds in a smaller P′-like pocket, and the Q group lies in the solvent exposed channel. Other heterocycles can be induced to use this new binding mode as well. The coordinates of this new binding mode enables the design of new ligands. For example, since the Q group now lies in the solvent exposed channel, and can be replaced by much smaller or much larger groups. For example, the heterocycle such as long piperidyl-piperidine Q group can be accommodated in the solvent channel. Conversely, small electronegative groups, such as hydroxymethyl, can be designed to join the amide carbonyl in a bi-dentate interaction with the backbone NH of Arg 119. Similarly, the Q and A groups, which were trans across the amide bond, are now cis. This allows the design of rigidifying cyclizations. Eg5 Structural Representation Storage Medium The atomic coordinates of the Eg5/ligand complex can be stored on a medium for subsequent use with a computational device, such as a computer (e.g., supercomputer, mainframe, minicomputer, or microprocessor). Typically, the coordinates are stored on a medium useful to hold large amounts of data, such as magnetic or optical media (e.g., floppy disks, hard disks, compact disks, magneto-optical media (“floptical” disks, or magnetic tape) or electronic media (e.g., random-access memory (RAM), or read-only memory (ROM). The storage medium can be local to the computer, or can be remote (e.g., a networked storage medium, including the Internet). The choice of computer, storage medium, networking, and other devices or techniques will be familiar to those of skill in the structural/computational chemistry arts. The atomic coordinates are preferably those noted in Table 4-9 or variants thereof. The foregoing and other aspects of the invention may be better understood in connection with the following representative examples. EXAMPLES Compounds that were utilized in the identification and testing of the novel Eg5 binding site that is disclosed herein were prepared by the methods described in Example 1-6. Example 1 N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide 1 Example 1a Synthesis of 2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one 15 g (159.4 mmol) of 2-aminopyridine was combined with approximately 80 g of polyphosphoric acid and heated to 120° C. to allow stirring. To the resulting solution was added slowly 30.5 mL (223.2 mmol) of ethyl-4-chloroacetoacetate and stirred at 120° C. under nitrogen for two hours. The hot reaction mixture was then poured over 1500 mL of ice water and stirred vigorously. The aqueous layer was separated and extracted with methylene chloride (6×, approximately 6 L). The combined organic layers were washed with saturated NaHCO 3 and brine and dried over MgSO 4 and activated carbon. The solvent was removed in vacuo yielding 30.7 g (157.7 mmol, 99%) of Example 1a as a white solid. Example 1b Synthesis of 2-(chloromethyl)-3-iodo-4H-pyrido[1,2-a]pyrimidin-4-one A mixture of 21.9 g (112.5 mmol) of the product from Example 1a and 38.9 g (168.8 mmol) of N-iodosuccinimide in 660 mL of acetonitrile was stirred at 80° C. under nitrogen for 16 hours. The reaction mixture was then allowed to cool to ambient temperature and the acetonitrile was removed in vacuo. The resulting solid was washed with water, saturated Na 2 O 3 S 2 , saturated NaHCO 3 , brine, and filtered. Drying under reduced pressure at 40° C. overnight yielded 29.8 g (92.9 mmol, 83%) of Example 1b as a light brown solid. Example 1c Synthesis of (3-iodo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl acetate A mixture of 20.0 g (62.4 mmol) of the product from Example 1b and 9.2 g (93.6 mmol) of potassium acetate in 200 mL DMF was stirred at 40° C. under nitrogen for three hours. The reaction mixture was allowed to cool to ambient temperature and the addition of excess water to the reaction solution caused the product to precipitate out of solution. The product was filtered, washed with water (3×), and drying under reduced pressure at 40° C. overnight yielded 19.4 g (56.4 mmol, 90%) of Example 1c as a white solid. Example 1d Synthesis of 2-(hydroxymethyl)-3-iodo-4H-pyrido[1,2-a]pyrimidin-4-one A mixture of 16.5 g (48.0 mmol) of the product from Example 1c and 13.3 g (96.0 mmol) of potassium carbonate in 300 mL methanol was stirred at ambient temperature for 3 hours. Excess water was added to the reaction mixture and the mixture was extracted using ethyl acetate (3×). The organic layers were combined, dried over MgSO 4 and activated carbon, and the solvent was removed in vacuo yielding 12 g (39.7 mmol, 83%) of Example 1d as a white solid. Example 1e Synthesis of 3-Benzyl-2-(Hydroxymethyl)-4h-Pyrido[1,2-A]Pyrimidin-4-One A mixture of 4.0 g (13.24 mmol) of the product from Example 1d, 1.0 g (1.32 mmol) of dichloro[1,1′-bis(diphenylphosphino)ferrocene] palladium(II) dichloromethane adduct, and 8.4 g (39.72 mmol) of K 3 PO 4 in 30 mL of DMF was heated to 80° C. To the resulting solution was added dropwise 40 mL (19.9 mmol) of B-Benzyl-9-BBN and stirred at 80° C. under nitrogen for 12 hours. The reaction was then cooled to 0° C. and excess 1N NaOH was added to the reaction mixture. Excess 30% H 2 O 2 was then added to the mixture at 0° C. resulting in significant gas evolution. Stirring continued for at least one additional hour or until gas ceased to evolve. The mixture was extracted with ethyl acetate (3×) and washed with saturated Na 2 O 3 S 2 and brine. The organic layers were combined, dried over MgSO 4 and activated carbon, and the solvent was removed in vacuo. The resulting material was subjected to flash chromatography on a 10 cm column. Elution with a gradient of 100% hexanes, 20% ethyl acetate in hexanes, 33% ethyl acetate in hexanes, 43% ethyl acetate in hexanes, 50% ethyl acetate in hexanes, 57% ethyl acetate in hexanes, 67% ethyl acetate in hexanes, and 100% ethyl acetate yielded 3.2 g (12.0 mmol, 91%) of Example 1e as a pale yellow solid. Example 1f Synthesis of 3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carbaldehyde 26.5 mL (53.0 mmol) of oxalyl chloride in 40 mL dichloromethane was cooled to −78° C. To the resulting solution was added a solution of 7.52 mL (105.9 mmol) of DMSO in 24 mL dichloromethane and stirred at −78° C. for one hour. Then was added a solution of 4.7 g (17.65 mmol) of the product from Example 1e in 60 mL dichloromethane and the resulting mixture was stirred at −78° C. for one hour. Then was added 24.6 mL (176.5 mmol) of triethylamine and stirred at −78° C. for one hour. The mixture was then allowed to warm to 0° C. and stirred for another hour. Finally, the mixture was allowed to warm to ambient temperature over the course of one hour. Excess water was added to the reaction mixture and the mixture was extracted (3×) using dichloromethane. The combined organic layers were dried over MgSO 4 and activated carbon and the solvent was removed in vacuo. The resulting material was subjected to flash chromatography on a 10 cm column. Elution with a gradient of 100% hexanes, 20% ethyl acetate in hexanes, 33% ethyl acetate in hexanes, 43% ethyl acetate in hexanes, and 50% ethyl acetate in hexanes yielded 3.1 g (11.7 mmol, 67%) of Example 1f as a yellow solid. Example 1g Synthesis of 3-benzyl-2-[cyclopropyl(hydroxy)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one A mixture of 2.0 g (7.6 mmol) of the product from Example 1f in 40 mL anhydrous THF was cooled to −78° C. To the resulting solution was added dropwise 45.4 mL (22.7 mmol) of cyclopropylmagnesium bromide and stirred at −78° C. under nitrogen for 3 hours. The reaction was quenched with saturated NH 4 Cl and extracted with ethyl acetate (4×). The combined organic layers were dried over MgSO 4 and the solvent was removed in vacuo yielding 1.43 g (4.7 mmol, 61%) of Example 1g as a brown oil. Example 1h Synthesis of 1-(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)propyl methanesulfonate A mixture of 1.43 g (4.7 mmol) of the product from Example 1g and 1.95 mL (14.0 mmol) of triethylamine in 10 mL of anhydrous dichloromethane was cooled to 0° C. To this solution was added dropwise 0.72 mL (9.3 mmol) of methane sulfonyl chloride and the resulting solution was allowed to warm to ambient temperature. Upon completion, excess dichloromethane was added to the reaction mixture and the solution was washed with H 2 O, saturated NaHCO 3 , and brine. The organic layer was dried over MgSO 4 and the solvent was removed in vacuo yielding 1.57 g (4.1 mmol, 88%) of Example 1h as a brown oil. Example 1i Synthesis of 2-[azido(cyclopropyl)methyl]-3-benzyl-4H-pyrido[1,2-a]pyrimidin-4-one A mixture of 1.57 g (4.1 mmol) of the product from Example 1h and 0.80 g (12.3 mmol) of sodium azide in 10 mL DMF was heated to 60° C. under nitrogen for 24 hours. The reaction mixture was quenched with excess H 2 O and extracted with ethyl acetate (3×). The combined organic layers were washed with saturated NaHCO 3 and brine, dried over MgSO 4 , and the solvent was removed in vacuo yielding 1.2 g (3.6 mmol, 88%) of Example 1i as a brown oil. Example 1j Synthesis of 2-[amino(cyclopropyl)methyl]-3-benzyl-4H-pyrido[1,2-a]pyrimidin-4-one A mixture of 1.22 g (3.6 mmol) of the product from Example 1i and 1.16 g (4.4 mmol) of triphenylphosphine in a solution of 10 mL THF and 10 mL H 2 O was heated at 60° C. under nitrogen for 18 hours. The reaction was quenched with excess saturated NaHCO 3 and extracted with ethyl acetate (3×). The combined organic layers were washed with brine, dried over MgSO 4 , and the solvent was removed in vacuo. The resulting material was subjected to flash chromatography on a 15 cm silica gel column. Elution with hexanes, 33% ethyl acetate in hexanes, 50% ethyl acetate in hexanes, ethyl acetate, and 85% dichloromethane:15% methanol:0.3% ammonia yielded 0.25 g (0.82 mmol, 22%) of Example 1j as a yellow oil. Example 1k Synthesis of 2-(3-{[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]amino}propyl)-1H-isoindole-1,3(2H)-dione A mixture of 0.25 g (0.82 mmol) of the product from Example 1j, 0.45 g (3.3 mmol) of potassium carbonate, and 0.44 g (1.6 mmol) of N-(3-Bromopropyl)-phthalimide in 5 mL of DMF was stirred at ambient temperature under nitrogen for 30 hours. The reaction mixture was quenched with H 2 O and extracted with ethyl acetate (3×). The combined organic layers were washed with saturated NaHCO 3 and brine, dried over MgSO 4 , and the solvent was removed in vacuo yielding 0.59 g (1.2 mmol, 150%) of Example 1k as a crude mixture. Example 1l Synthesis of N-[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chloro-N-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]benzamide A mixture of 0.29 g (0.59 mmol) of the product from Example 1k, 0.007 g (0.06 mmol) of 4-(Dimethylamino)pyridine, and 0.25 mL (1.78 mmol) of triethylamine in 2.0 mL dichloromethane was cooled to 0° C. Then was added 0.15 mL (1.19 mmol) of 4-chlorobenzoyl chloride and slowly allowed to warm to ambient temperature. Upon completion, excess dichloromethane was added to the reaction mixture and the resulting solution was washed with saturated NaHCO 3 and brine, dried over MgSO 4 , and the solvent was removed in vacuo. The resulting material was subjected to flash chromatography on a 5 cm column. Elution with a gradient of 100% hexanes, 20% ethyl acetate in hexanes, 33% ethyl acetate in hexanes, 50% ethyl acetate in hexanes, and 100% ethyl acetate yielded 0.11 g (0.17 mmol, 29%) of Example 1l as a clear oil. Example 1m Synthesis of N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide A mixture of 0.11 g (0.17 mmol) of the product from Example 1l and 0.008 mL (0.26 mmol) of hydrazine in 2 mL of ethanol was heated at 60° C. under nitrogen for 2 hours. The resulting white precipitate was filtered and washed with ethyl acetate. The filtrate was collected and the solvent was removed in vacuo. The resulting material was subjected to flash chromatography on a 5 cm column. Elution with a gradient of 100% hexanes, 33% ethyl acetate in hexanes, 100% ethyl acetate, and 97% dichloromethane:3% methanol:0.1% ammonia yielded 0.002 g (0.004 mmol, 2.5%) of 1 as a white solid. Example 2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide 2 Example 2a Synthesis of A stirred solution of D-Boc-Valine (1.0 g, 4.605 mmol) in EtOH (10 mL) was treated with Cs 2 CO 3 (0.75 g, 2.30 mmol). After 45 min, the EtOH was removed by evaporation under reduced pressure. The residual cesium salt was re-dissolved in DMF (15 mL) and the treated with 2-bromoacetophenone (0.916 g, 4.605 mmol) and stirred at room temperature until the reaction was complete. The reaction mixture was then partitioned between EtOAc and H 2 O, and the organics separated, then washed with H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the keto-ester which was pure enough to use directly in the next step. Example 2b Synthesis of To a stirred solution of the product from Example 2a (1.589 g, 4.743 mmol) in xylenes (50 mL) was added ammonium acetate (1.82 g, 23.7 mmol). A Dean-Stark trap was added and the reaction heated to 140° C. Once the reaction was complete, the mixture was allowed to cool to room temperature, then partitioned between EtOAc and sat. aq. NaHCO 3 . The organics were separated, then washed with sat. aq. NaHCO 3 (×2), H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the phenyl imidazole which was pure enough to use directly in the next step. Example 2c Synthesis of To a stirred solution/suspension of the product from Example 2b (1.00 g, 3.17 mmol) and K 2 CO 3 (0.876 g, 6.34 mmol) in DMF (10 mL) was added benzyl bromide (0.415 mL, 3.49 mmol). Once the reaction was complete, the mixture was partitioned between EtOAc and H 2 O. The organic layer was separated and washed with H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the crude benzylated phenyl imidazole. The crude reaction material was then crystallized (EtOAc, hexanes) to give pure product. The regiochemical outcome was verified by 1H nOe NMR. Example 2d Synthesis of Boc-protected amine from Example 2c (0.406 g, 1.0 mmol) was treated with 10% TFA in CH 2 Cl 2 (5 ml). Once reaction was complete, the reaction was concentrated in vacuo and then partitioned between EtOAc and sat. aq. NaHCO 3 . The organics were separated, then washed with sat. aq. NaHCO 3 (×2), H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the phenyl imidazole free amine which was pure enough to use directly in the next step. Example 2e To a stirred solution of amine from Example 2d (59 mg, 0.193 mmol) and 2-(3-oxopropyl)benzo[c]azoline-1,3-dione (39 mg, 0.193 mmol) in CH 2 Cl 2 (1.5 mL) was added AcOH (11 μL, 0.193 mmol). The mixture was allowed to stir for 5 min before the addition of sodium tris-acetoxyborohydride (45 mg, 0.212 mmol). After 1 h, the mixture was concentrated in vacuo, partitioned between EtOAc and 2 M aq. Na 2 CO 3 . The organics were separated, then washed with 2 M aq. Na 2 CO 3 (×2), H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give product which was pure enough to use directly in the next step. Example 2f Synthesis of To a stirred solution of amine from Example 2e (42 mg, 0.085 mmol) in CH 2 Cl 2 (1.2 ml) was added DIPEA (30 μL, 0.170 mmol) followed by p-toluoyl chloride (12.4 μL, 1.0 mmol). Once the reaction was complete, the mixture was partitioned between CH 2 Cl 2 and sat. aq. NaHCO 3 . The organics were separated and washed with H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give product which was pure enough to use directly in the next step. Example 2g Synthesis of To a non-stirred solution of phthalimido compound from Example 2f (52 mg, 0.085 mmol) in EtOH (1.5 mL) was added anhydrous hydrazine (26 μL, 0.85 mmol). Once the reaction was complete, the reaction was filtered, and the filtrate evaporated under reduced pressure to give the title compound which was purified by reverse phase prep HPLC to give the pure product 2. Example 3 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide 3 Example 3a Synthesis of A stirred solution of the N-Boc-acid 20 (10.0 g, 43.2 mmol 1.0 equiv) in EtOH (150 mL) was treated with Cs 2 CO 3 (7.04 g, 21.6 mmol, 0.5 equiv). After 45 min, the EtOH was removed by evaporation under reduced pressure. The residual cesium salt was re-dissolved in DMF (150 mL) and the treated with 2-bromoacetophenone 21 (8.60 g, 43.2 mmol, 1.0 equiv) and stirred at room temperature for 1 hour. The reaction mixture was then partitioned between EtOAc and H 2 O, and the organics separated, then washed with H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the keto-ester which was pure enough to use directly in the next step. Example 3b Synthesis of To a stirred solution of keto-ester from Example 3a (15.1 g, 43.2 mmol, 1.0 equiv) in xylenes (500 mL) was added ammonium acetate (16.6 g, 216.2 mmol, 5.0 equiv). A Dean-Stark trap was added and the reaction heated to 140° C. for 1 hour. Once the reaction was complete, the mixture was allowed to cool to room temperature, then partitioned between EtOAc and sat. aq. NaHCO 3 . The organics were separated, then washed with sat. aq. NaHCO 3 (×2), H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the phenyl imidazole which was pure enough to use directly in the next step. Example 3c Synthesis of To a stirred solution/suspension of imidazole from Example 3b (14.26 g, 43.2 mmol, 1.0 equiv) and K 2 CO 3 (12.00 g, 86.4 mmol, 2.0 equiv) in DMF (150 mL) was added the benzyl bromide (5.65 mL, 47.53 mmol, 1.1 equiv). Reaction was stirred at room temperature for 12 hours. Once the reaction was complete, the mixture was partitioned between EtOAc and H 2 O. The organic layer was separated and washed with H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the crude benzylated phenyl imidazole, which was pure enough to move directly onto the next step. Example 3d Synthesis of Boc-protected amine from Example 3c (5.0 g, 11.93 mmol) was treated with 15% TFA in CH 2 Cl 2 (35 ml). Once reaction was complete, the reaction was concentrated in vacuo and then partitioned between EtOAc and sat. aq. NaHCO 3 . The organics were separated, then washed with sat. aq. NaHCO 3 (×2), H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the phenyl imidazole free amine which was pure enough to use directly in the next step. Example 3e Synthesis of To a stirred solution of amine from Example 3d (1.00 g, 3.13 mmol, 1.0 equiv) and the 2-(3-oxopropyl)benzo[c]azoline-1,3-dione 25 (0.51 g, 2.51 mmol, 1.0 equiv) in CH 2 Cl 2 (10 mL) was added AcOH (0.18 mL, 3.13 mmol, 1.0 equiv). The mixture was allowed to stir for 5 min before the addition of sodium tris-acetoxyborohydride (0.73 g, 3.44 mmol, 1.1 equiv). Once the reaction was complete, the mixture was concentrated in vacuo, partitioned between EtOAc and 2 M aq. Na 2 CO 3 . The organics were separated, then washed with 2 M aq. Na 2 CO 3 (×2), H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give product which was pure enough to use directly in the next step. Example 3f Synthesis of To a stirred solution of amine from Example 3e (0.04 g, 0.08 mmol, 1.0 equiv) in CH 2 Cl 2 (0.3 ml) was added the acid (0.024 g, 0.17 mmol, 2.2 equiv), HOAT (0.24 g, 0.17 mmol, 2.2 equiv), and TEA (0.05 ml, 0.33 mmol, 4.2 equiv). After 5 minutes EDC (0.04 g, 0.18 mmol, 2.3 equiv) was added, and the reaction was heated to 55° C. for 24 hours. The mixture was then partitioned between CH 2 Cl 2 and sat. aq. NaHCO 3 . The organics were separated and washed with H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give product. Example 3g Synthesis of To a non-stirred solution of phthalimido compound from Example 3f (0.02 g, 0.03 mmol, 1.0 equiv) in EtOH (0.1 mL) was added anhydrous hydrazine (0.005 g, 0.15 mmol, 5.0 equiv). Once the reaction was complete, the reaction was filtered, and the filtrate evaporated under reduced pressure to give the title compound which was purified by reverse phase prep HPLC to give the pure product 3. Example 4 N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide 4 Example 4a Synthesis of A stirred solution of the N-Boc-acid (8.0 g, 36.8 mmol 1.0 equiv) in EtOH (130 mL) was treated with Cs 2 CO 3 (6.0 g, 18.4 mmol, 0.5 equiv). After 45 min, the EtOH was removed by evaporation under reduced pressure. The residual cesium salt was re-dissolved in DMF (130 mL) and the treated with 2-bromoacetophenone 21 (8.60 g, 36.84 mmol, 1.0 equiv) and stirred at room temperature for 1 hour. The reaction mixture was then partitioned between EtOAc and H 2 O, and the organics separated, then washed with H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the keto-ester which was pure enough to use directly in the next step. Example 4b Synthesis of To a stirred solution of keto-ester from Example 4a (13.5 g, 36.8 mmol, 1.0 equiv) in xylenes (450 mL) was added ammonium acetate (14.2 g, 185.0 mmol, 5.0 equiv). A Dean-Stark trap was added and the reaction heated to 140° C. for 1 hour. Once the reaction was complete, the mixture was allowed to cool to room temperature, then partitioned between EtOAc and sat. aq. NaHCO 3 . The organics were separated, then washed with sat. aq. NaHCO 3 (×2), H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the phenyl imidazole which was pure enough to use directly in the next step. Example 4c Synthesis of To a stirred solution/suspension of imidazole from Example 4b (12.85 g, 36.8 mmol, 1.0 equiv) and K 2 CO 3 (10.17 g, 73.6 mmol, 2.0 equiv) in DMF (122 mL) was added the benzyl bromide (5.20 mL, 40.49 mmol, 1.1 equiv). Reaction was stirred at room temperature for 12 hours. Once the reaction was complete, the mixture was partitioned between EtOAc and H 2 O. The organic layer was separated and washed with H 2 O (×3), sat. brine (×3), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the crude benzylated phenyl imidazole, which was pure enough to move directly onto the next step. Example 4d Synthesis of Boc-protected amine from Example 4c (5.0 g, 11.40 mmol) was treated with 15% TFA in CH 2 Cl 2 (35 ml). Once reaction was complete, the reaction was concentrated in vacuo and then partitioned between EtOAc and sat. aq. NaHCO 3 . The organics were separated, then washed with sat. aq. NaHCO 3 (×2), H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give the phenyl imidazole free amine which was pure enough to use directly in the next step. Example 4e Synthesis of To a stirred solution of amine from Example 4d (3.86 g, 11.40 mmol, 1.0 equiv) and 2-(3-oxopropyl)benzo[c]azoline-1,3-dione (2.31 g, 11.40 mmol, 1.0 equiv) in CH 2 Cl 2 (40 mL) was added AcOH (0.65 mL, 11.40 mmol, 1.0 equiv). The mixture was allowed to stir for 5 min before the addition of sodium tris-acetoxyborohydride (2.65 g, 12.52 mmol, 1.1 equiv). Once the reaction was complete, the mixture was concentrated in vacuo, partitioned between EtOAc and 2 M aq. Na 2 CO 3 . The organics were separated, then washed with 2 M aq. Na 2 CO 3 (×2), H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give product which was pure enough to use directly in the next step. Example 4f Synthesis of To a stirred solution of amine from Example 4e (0.05 g, 0.10 mmol, 1.0 equiv) in CH 2 Cl 2 (0.3 ml) was added the acid (0.02 g, 0.11 mmol, 1.0 equiv), HOAT (0.15 g, 0.10 mmol, 1.0 equiv), and TEA (0.03 ml, 0.20 mmol, 2.1 equiv). After 5 minutes EDC was added (0.22 g, 0.20 mmol, 2.0 equiv), and the reaction was heated to 55° C. for 24 hours. The mixture was then partitioned between CH 2 Cl 2 and sat. aq. NaHCO 3 . The organics were separated and washed with H 2 O (×2), sat. brine (×2), then dried (Na 2 SO 4 ), filtered, and evaporated under reduced pressure to give product. Example 4g Synthesis of To a non-stirred solution of phthalimido compound from Example 4f (0.01 g, 0.02 mmol, 1.0 equiv) in EtOH (0.6 mL) was added anhydrous hydrazine (0.003 g, 0.10 mmol, 5.0 equiv). Once the reaction was complete, the reaction was filtered, and the filtrate evaporated under reduced pressure to give the title compound which was purified by reverse phase prep HPLC to give the pure product 4. Example 5 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide 5 Example 5a Synthesis of Benzyl-(2-nitro-phenyl)-amine Benzylamine, (3.1 ml, 28 mmol) was added to 2-fluoronitrobenzene (3 ml, 28.5 mmol) in 20 ml dry THF and the reaction stirred overnight. The crude was diluted with ethyl acetate and washed with said. Bicarbonate and then purified by silica gel chromotography eluting with 10-50% Ethyl acetate in hexanes. Example 5b Synthesis of N1-Benzyl-benzene-1,2-diamine To a solution of Benzyl-(2-nitro-phenyl)-amine (230 mg, 1 mmol) in 3 ml acetic acid, was added iron (70 mg, 1.24 mmol). The reaction mixture was heated to 40° C. under argon for 2 hours. The mixture was cooled to ambient temperature and filtered through celite and the filtrate was concentrated. The resulting solid was dissolved in ethyl acetate. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered and the filtrate was concentrated in vacuo to yield crude product that was used in step Example 5c. Example 5c Synthesis of [1-(2-Benzylaminophenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester To a solution of N1-Benzyl-benzene-1,2-diamine obtained from Example 5b and triethylamine (0.19 ml, 1.35 mmol) in dry DMF (5 ml), was added Boc-D-valine (294 mg, 1.35 mmol) followed by TBTU (289 mg, 0.9 mmol). The reaction mixture was stirred at room temperature overnight. Ethyl acetate was added. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered, and the filtrated was concentrated in vacuo. The crude material was purified by flash chromatography to yield [1-(2-Benzylaminophenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester. Example 5d Synthesis of [1-(1-Benzyl-1H-benzimidazol-2-yl)-2-methyl-propyl]-carbamic acid tert-butyl ester A solution of [1-(2-benzylamino-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester (453 mg, 1.14 mmol) in acetic acid (4 ml) was heated at 100° C. for 2 hours. The solvent was removed in vacuo and the resulting solid was dissolved in ethyl acetate. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered and the filtrate was concentrated in vacuo. The crude product was purified by flash chromatography to give of [1-(1-benzyl-5-methyl-1H-benzimidazol-2-yl)-2-methyl-propyl]-carbamic acid tert-butyl ester (389 mg, yield 90%). Example 5e Synthesis of 1-(1-Benzyl-1H-benzimidazol-2-yl)-2-methyl-propylamine To a solution of [1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propyl]-carbamic acid tert-butyl ester in DCM (2 ml), was added trifluoroacetic acid (0.5 ml). The reaction mixture was stirred at room temperature for 30 minutes. The solvent was removed in vacuo to give the free amine product. Example 5f Synthesis of 2-{3-[1-(1-Benzyl-1H-benzimidazol-2-yl)-2-methyl-propylamino]-propyl}-isoindole-1,3-dione To a solution of 1-(1-benzyl-1H-benzimidazol-2-yl)-2-methyl-propylamine (160 mg, 0.56 mmol) and 3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionaldehyde (114 mg, 0.56 mmol) in dry DCM (3 ml) at room temperature, was added sodium triacetoxyborohydride (119 mg, 0.56 mmol). After 10 minutes, acetic acid (34 μl, 0.56 mmol) was added to the reaction mixture. The mixture was stirred at room temperature for 1 hour. The solvent was removed in vacuo and the solid was dissolved in ethyl acetate. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered and the filtrate was concentrated in vacuo. The crude product was purified by flash chromatography to give material that was used in Example 5g. Example 5g Synthesis of N-[1-(1-Benzyl-1H-benzimidazol-2-yl)-2-methyl-propyl]-N-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-4-chloro-benzamide To a solution of 2-{3-[1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propylamino]-propyl}-isoindole-1,3-dione (260 mg, 0.56 mmol) and triethylamine (0.47 ml, 3.36 mmol) in DCM (3 ml) at 0° C., was added 4-chlorobenzoylchloride (0.36 ml, 2.8 mmol, 5 eq). The reaction mixture was stirred at 0° C. for 30 minutes. Ethyl acetate and saturated sodium bicarbonate were added. The mixture was extracted with ethyl acetate. The organic layers was combined, dried over MgSO 4 , filtered, and the filtrate was concentrated in vacuo. The crude material was purified by flash chromatography to give N-[1-(1-Benzyl-1H-benzimidazol-2-yl)-2-methyl-propyl]-N-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-4-chloro benzamide (182 mg, yield 54%) Example 5h Synthesis of N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide 5 To a solution of N-[1-(1-benzyl-1H-benzimidazol-2-yl)-2-methyl-propyl]-N-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-4-chloro-benzamide (180 mg, 0.302 mmol) in ethanol at room temperature, was added hydrazine (0.19 ml, 6 mmol). The reaction was stirred at room temperature for 1 hour. The crude product was purified via reverse phase chromatography to give N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide 5 (129 mg, yield 91%). Example 6 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide 6 Example 6a Synthesis of Benzyl-(4-bromo-2-nitro-phenyl)-amine To a solution of 4-Bromo-2-nitroaniline (435 mg, 2 mmol) and benzaldehyde (0.204 ml, 2 mmol,) in 4 ml dry dichloromethane at room temperature, was added sodium triacetoxyborohydride (424 mg, 2 mmol). Then acetic acid (120 μl, 2 mmol) was added. The reaction mixture was stirred at room temperature for 8 hours. The solvent was evaporated and the solid was dissolved in ethyl acetate. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered, and the solvent was removed in vacuo. The crude material was purified by flash chromatography to yield 276 mg (0.9 mmol, 45%) of benzyl-(4-bromo-2-nitrophenyl)-amine. Example 6b Synthesis of N1-Benzyl-4-bromo-benzene-1,2-diamine To a solution of benzyl-(4-bromo-2-nitro-phenyl)-amine (276 mg, 0.9 mmol) in 3 ml acetic acid, was added iron (70 mg, 1.2 mmol). The reaction mixture was heated to 40° C. under argon for 2 hours. The mixture was cooled to ambient temperature and filtered through celite and the filtrate was concentrated. The resulting solid was dissolved in ethyl acetate. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered and the filtrate was concentrated in vacuo to yield crude product that was used in Example 6c. Example 6c Synthesis of [1-(2-Benzylamino-5-bromo-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester To a solution of [1-(2-benzylamino-5-bromo-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester (250 mg, 0.9 mmol) and triethylamine (0.19 ml, 1.35 mmol) in dry DMF (5 ml), was added Boc-D-valine (290 mg, 1.35 mmol) followed by TBTU (290 mg, 0.9 mmol,). The reaction mixture was stirred at room temperature overnight. Ethyl acetate was added. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered, and the filtrated was concentrated in vacuo. The crude material was purified by flash chromatography to yield [1-(2-Benzylamino-5-methyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester. Example 6d Synthesis of [1-(1-Benzyl-5-methyl-1H-benzimidazol-2-yl)-2-methyl-propyl]-carbamic acid tert-butyl ester A solution of [1-(2-benzylamino-5-bromo-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester (400 mg, 0.84 mmol) in acetic acid (4 ml) was heated at 100° C. for 2 hours. The solvent was removed in vacuo and the resulting solid was dissolved in ethyl acetate. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered and the filtrate was concentrated in vacuo. The crude product was purified by flash chromatography to give of [1-(1-benzyl-5-methyl-1H-benzimidazol-2-yl)-2-methyl-propyl]-carbamic acid tert-butyl ester (300 mg, yield 66%). Example 6e Synthesis of 1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propylamine To a solution of [1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propyl]-carbamic acid tert-butyl ester in DCM (2 ml), was added trifluoroacetic acid (0.5 ml). The reaction mixture was stirred at room temperature for 30 minutes. The solvent was removed in vacuo to give the free amine product. Example 6f Synthesis of 2-{3-[1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propylamino]-propyl}-isoindole-1,3-dione To a solution of 1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propylamine (200 mg, 0.56 mmol) and 3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionaldehyde (114 mg, 0.56 mmol) in dry DCM (3 ml) at room temperature, was added sodium triacetoxyborohydride (119 mg, 0.56 mmol). After 10 minutes, acetic acid (34 μl, 0.56 mmol) was added to the reaction mixture. The mixture was stirred at room temperature for 1 hour. The solvent was removed in vacuo and the solid was dissolved in ethyl acetate. The organic layer was washed with saturated NaHCO 3 , dried over MgSO 4 , filtered and the filtrate was concentrated in vacuo. The crude product was purified by flash chromatography to give crude material that was used in Example 6g. 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propionaldehyde was generated using the following method. The reaction was carried out with oven dried glassware. DMSO (85 μl, 1.1 mmol) was added to oxalyl chloride solution (0.35 ml 2M solution in DCM with 5 ml dry DCM) at −78° C. The reaction mixture was stirred at −78° C. for 10 minutes. 2-(3-Hydroxy-propyl)-isoindole-1,3-dione solution (102 mg, 0.5 mmol, in 2 ml DCM) was added drop wise in 2 minutes. Then triethylamine (0.35 ml, 2.5 mmol) was added drop wise in 2 minutes. The mixture was stirred for additional 30 minutes at −78° C. and was warmed up to room temperature. The reaction mixture was extracted with ethyl acetate. The organic layer was washed with saturated sodium bicarbonate, dried over MgSO 4 , filtered, and the filtrated was concentrated in vacuo. The crude product was purified by flash chromatography to give 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propionaldehyde. Example 6g Synthesis of N-[1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propyl]-N-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-4-methyl-benzamide To a solution of 2-{3-[1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propylamino]-propyl}-isoindole-1,3-dione (310 mg, 0.56 mmol) and triethylamine (0.47 ml, 3.36 mmol, 6 eq) in DCM (3 ml) at 0° C., was added p-toluoyl chloride (0.38 ml, 2.8 mmol, 5 eq). The reaction mixture was stirred at 0° C. for 30 minutes. Ethyl acetate and saturated sodium bicarbonate were added. The mixture was extracted with ethyl acetate. The organic layers was combined, dried over MgSO 4 , filtered, and the filtrate was concentrated in vacuo. The crude material was purified by flash chromatography to give N-[1-(1-Benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propyl]-N-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-4-methyl-benzamide (242 mg, yield 65%) Example 6h Synthesis of N-(3-Amino-propyl)-N-[1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propyl]-4-methyl-benzamide To a solution of N-[1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propyl]-N-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-4-methyl-benzamide (0.302 mmol) in ethanol at room temperature, was added hydrazine (0.19 ml, 6 mmol, 20 eq). The reaction was stirred at room temperature for 1 hour. The crude product was purified via reverse phase chromatography to give N-(3-amino-propyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methyl-propyl]-4-methyl-benzamide 6 (147 mg, yield 91%). Example 7 Eg5 Expression and Purification In this example, the expression and purification of an Eg5 protein construct is described. The coding sequence for Eg5 was generated with PCR from an Eg5 containing construct and was designed to encompass amino acids 1-368. The PCR primers were designed to incorporate NcoI and EcoRI restriction sites for cloning of the fragment into Novagen's Pet28a expression vector. PCR reactions were initially sub-cloned into Invitrogens's TA cloning vector and were verified by DNA sequencing, then were moved to the final Pet28a expression vector and expressed in E. Coli. The coding sequence for Eg5 was generated with PCR using the following oligos. GAGAGACCATGGCGTCGCAGCCAAATTCGTCTGCG (SEQ ID NO: 2) and GAGAGAGAATTCTCATTTCTGATTCACTTCAGGCTTATTCAATATGT TCTTTGC (SEQ ID NO: 3) The final sequence coding for the Eg5 construct, untagged, is as follows (SEQ ID NO: 4): Atggcgtcgcagccaaattcgtctgcgaagaagaaagaggagaaggggaagaacatccaggtggtggtgagatg cagaccatttaatttggcagagcggaaagctagcgcccattcaatagtagaatgtgatcctgtacgaaaagaagttagtgtacgaa ctggaggattggctgacaagagctcaaggaaaacatacacttttgatatggtgtttggagcatctactaaacagattgatgtttacc gaagtgttgtttgtccaattctggatgaagttattatgggctataattgcactatctttgcgtatggccaaactggcactggaaaaacttttacaatggaag gtgaaaggtcacctaatgaagagtatacctgggaagaggatcccttggctggtataattccacgtacccttcat caaattttgagaaacttactgataatggtactgaattttcagtcaaagtgtctctgttggagatctataatgaagagctttttgatcttcttaatccctcgagc gatgtttctgagagactacagatgtttgatgatccccgtaacaagagaggagtgataattaaaggtttagaaga aattacagtacacaacaaggatgaagtctatcaaattttagaaaagggggcagcaaaaaggacaactgcagctactctgatgaat gcatactctagtcgttcccactcagttttctctgttacaatacatatgaaagaaactacgattgatggagaagagcttgttaaaatcgg aaagttgaacttggttgatcttgcaggaagtgaaaacattggccgttctggagctgttgataagagagctcgggaagctggaaata taaatcaatccctgttgactttgggaagggtcattactgcccttgtagaaagaacacctcatgttccttatcgagaatctaaactaact agaatctccaggattctcttggagggcgtacaagaacatctataattgcaacaatttctcctgcatctctcaatcttgaggaaactct gagtacattggaatatgctcatagagcaaagaacatattgaataagcctgaagtgaatcagaaatga This expresses the following protein sequence SEQ ID 1: MASQPNSSAKKKEEKGKNIQVVVRCRPFNLAERKASAHSIVECDPVRKEV SVRTGGLADKSSRKTYTFDMVFGASTKQIDVYRSVVCPILDEVIMGYNCTIFAYG QTGTGKTFTMEGERSPNEEYTWEEDPLAGIIPRTLHQIFEKLTDNGTEFSVKVSLL EIYNEELFDLLNPSSDVSERLQMFDDPRNKRGVIIKGLEEITVHNKDEVYQILEKG AAKRTTAATLMNAYSSRSHSVFSVTIHMKETTIDGEELVKIGKLNLVDLAGSENI GRSGAVDKRAREAGNINQSLLTLGRVITALVERTPHVPYRESKLTRILQDSLGGR TRTSIIATISPASLNLEETLSTLEYAHRAKNILNKPEVNQK Eg5 Protein Purification: Lysis Buffer:50mM PIPES pH 6.82mM MgCl 21mM EGTA1mM ATP1mM TCEP-HCl 20 ml volume for 1 L cell culture pellet Sonicate on ice pulsing for 3 minutes, Ultrasonics W-375 sonicator—large tip, output control 4.5, % duty cycle 60 Centrifuge JA20/19K/4° C./20 min Buffers for all Columns: A Buffer:50mM PIPES pH 6.82mM MgCl 21mM ATP1mM EGTA1mM TCEP-HClB Buffer:50mM PIPES pH 6.82mM MgCl 21mM ATP1mM EGTA1mM TCEP-HCl250mM NaCl SP Column ResinSP Fast Flow (Amersham)Elution20 CV gradient 0% to 100% B Pour Supernatant Over SP Column Mono S Column Dialyze SP pool vs. 1 L A buffer RT 1 hour before loading onto Mono S (to remove salt). ResinMono S (Amersham)Diameter1.0 cmHeight10.0 cmVolume8 mlFlow Rate4 ml/min (max)Max Pressure5 MPaLinear Flow Rate305 cm/hr (max)Elution20 CV gradient 0% to 100% BFraction Size5 ml Mono Q Column Dialyze pool vs. 1 L A buffer RT 1 hour (to remove salt) Load and Collect Flow Through Fractions ResinMono Q 10/100 GL Tricorn (Amersham)Diameter1.0 cmHeight10.0 cmVolume8 mlFlow Rate4 ml/min (max)Max Pressure5 MPaLinear Flow Rate305 cm/hr (max)ElutionCollect Flow Through FractionsFraction Size5 ml Dialysis and Concentration: Dialyze 4° C. vs. 4×1 L changes into dialysis buffer. Concentrate using Amicon Ultra 5K cut off 4° C. to 10+mg/ml. 0.2 filter final material Dialysis Buffer:50mM PIPES pH 6.82mM MgCl 21mM ADP1mM TCEP-HCl Example 8 Eg5 and Ligand Co-Crystallization and Resolution In this example, the crystallization and resolution of Eg5 and ligand complex is described. After protein purification, Eg5 has a purity of greater than 95%. The protein was dialyzed into storage buffer containing: 50 mM PIPES pH 6.8, 1 mM ADP, 2 mM MgCl 2 , and 1 mM TCEP-HCL. The protein was then concentrated to 10 mg/ml and stored at −80° C. Eg5 was crystallized in the following precipitating solution containing 100 mM MES pH 5.5, 150-300 mM NaNO 3 , and 12-24% PEG 3350. Hanging drop vapor diffusion was used with a 1:1 ratio of protein to precipitating solution. Crystal trays were incubated at 4° C. Crystals appeared within 2448 hours. These initial crystals were then crushed into fine fragments. Then a 10-60 fold dilutions were made using the precipitating solution giving rise to the crystal seeding solutions. A new crystal tray was set up in a similar manner to the previous tray except for the addition of one extra step: after the introduction of the precipitant to the protein, a hair was ran through the seeding solution then it was brushed through the fresh protein and precipitant drop approximately three times. The crystal trays were then incubated at 4° C. Usable crystals appeared within 4-5 days. For the co-crystal, a 1:1 molar ratio of compound was introduced to the protein solution. The mixture was incubated on ice for 1-3 hours then crystal trays were set up in similar process as previously described. Crystals were frozen using liquid nitrogen after the crystals were transferred into a cryo-solution (precipitating solution with an addition of 22.5% ethylene glycol). Alternatively, a Eg5 and ligand complex can be obtained by soaking a ligand into an Eg5 crystal. Eg5 crystals are first prepared as described above. The ligand of interest is then soaked into the Eg5 crystal. Typically, soaking experiments was performed by preparing a solution of ligand at concentration 100 mM in the precipitating solution. If the ligand is insoluble in the precipitating solution, the ligand may solubilzed in 100% DMSO. The ligand solution was then diluted to a desired concentration with the precipitating solution, typically 0.5 to 2 mM. Six microliters of ligand (typically 0.5 to 2 mM ligand) was placed into a well. Eg5 crystals were transferred into the well containing the 6 microliters of ligand solution. Eg 5 crystal and ligand were incubated at 4° C. for 2 to 48 hours. Soaking time varied according to inhibitor potency and solubility. The crystals prepared by this soaking method were frozen using the same method as in freezing the Eg5 and ligand complex prepared by co-crystallization as described above. Using available coordinates (PDB accession number 1II6), the structure of the co-crystal was solved using molecular replacement (and the program EPMR). The crystals were of space group P212121 with unit cell dimensions a=80.5 Ang., b=94.7 Ang., c=107.365 Ang., alpha=beta=gamma=90. This is in contrast to the available coordinates that are in space group P21. Structures were refined using standard protocols to R-factors of approximately 0.25 with appropriate free R-factors. Eg5 crystallizes as a dimer in the asymmetric unit. Strict non-crystallographic restraints are placed upon the monomers during refinement in order to prevent over-fitting. After comparing the A monomer to the B monomer, for the six Eg5 co-structures, we determined that they differ from each other by 0.25+/−0.1 angstrom. This is within the error for the refinement protocols, so the coordinates for the two monomers should be considered equivalent for all intents and purposes. Example 9 Assay for Determining Eg5 Activity In this example, a representative in vitro assay for determining Eg5 activity is described. Purified microtubules from bovine brain were purchased from Cytoskeleton Inc. The motor domain of human Eg5 (KSP, KNSL1) was cloned and purified to a purity of greater than 95%. Biomol Green was purchased from Affinity Research Products Ltd. Microtubules and the Eg5 motor protein were diluted in assay buffer (20 mM Tris-HCl, pH 7.5, 1 mM MgCl2, 10 mM DTT and 0.25 mg/ml BSA) to a concentration of 35 ug/ml for microtubules and 45 nM for Eg5. The microtubule/Eg5 mixture was then pre-incubated at 37° C. for 10 min to promote the binding of Eg5 to microtubules. ATP was also diluted to a concentration of 300 uM in the same assay buffer. To each well of the testing plate (384 well plate) containing 1.25 uL of compounds in DMSO or DMSO only, 25 uL of ATP solution. To start the reaction, 25 uL of microtubule/Eg5 solution was added to the ATP/compound mixture. The plates were incubated at room temperature for 1 hr. At the end of incubation period, 65 uL of Biomol Green was added to each well. The plates were incubated for 5-10 min and then the absorbance at 630 nm was determined. Biomol Green reagent is a malchite green based dye that detects the release of inorganic phosphate. Developed color signal was read using a Victor II reader. The concentration of each compound for 50% inhibition (IC50) was calculated by nonlinear regression using either XLFit for Excel or Prism data analysis software by GraphPad Software Inc. While the preferred embodiment of the invention has been illustrated and described, it will be appreciated that various changes can be made therein without departing from the spirit and scope of the invention. Table 4. Eg5 ligand binding site compound 1 X-ray coordinates. Complete coordinates of the entire motor domain of Eg5. Table 4 discloses residues 16-270, 281-365, 16-270 and 281-365 of SEQ ID NO: 1, respectively, in order of appearance. TABLE 4Eg5 ligand binding site/compound 1 X-ray coordinates. Completecoordinates of the entire motor domain of Eg5. Table 4 discloses residues 16-270, 281-365,16-270 and 281-365 of SEQ ID NO: 1, respectively, in order of appearance.REMARK coordinates from simulated annealing refinementREMARK refinement resolution: 50.0-2.6 AREMARK startingr = 0.2663 free_r = 0.3185REMARK finalr = 0.2589 free_r = 0.3387REMARK rmsd bonds = 0.006847rmsd angles = 1.34210REMARK wa_initial = 4.73993wa_dynamics = 6.09374wa_final = 5.49958REMARK target = mlf md-method = torsion annealing schedule = slowcoolREMARK starting temperature = 3000 total md steps = 120 * 6REMARK sg = P2(1)2(1)2(1) a = 79.888 b = 93.745 c = 103.399 alpha = 90 beta = 90 gamma = 90REMARK B-correction resolution: 6.0-2.6REMARK initial B-factor correction applied to fobs:REMARK B11 =3.392B22 =6.665B33 =−3.273REMARK B12 =0.000B13 =0.000B23 =0.000REMARK B-factor correction applied to coordinate array B: 0.855REMARK bulk solvent: (Mask) density level = 0.33466 e/A{circumflex over ( )}3, B-factor = 42.7096 A{circumflex over ( )}2REMARK reflections with |Fobs|/sigma_F < 0.0 rejectedREMARK reflections with |Fobs| > 10000 * rms(Fobs) rejectedREMARK theoretical total number of refl. in resol. range:24520(100.0%)REMARK number of unobserved reflections (no entry or |F| = 0):1972(8.0%)REMARK number of reflections rejected:0(0.0%)REMARK total number of reflections used:22548(92.0%)REMARK number of reflections in working set:21450(87.5%)REMARK number of reflections in test set:1098(4.5%)REMARK Written by CNX VERSION: 2000ATOM1CGLYA16−9.686110.58898.3471.0044.07ACATOM2OGLYA16−8.791110.02298.9691.0043.39AOATOM3NGLYA16−10.733112.36099.7671.0045.55ANATOM4CAGLYA16−10.939111.05999.0601.0045.11ACATOM5NLYSA17−9.614110.81597.0391.0043.96ANATOM6CALYSA17−8.440110.40296.2851.0043.60ACATOM7CBLYSA17−8.723110.40694.7821.0043.67ACATOM8CGLYSA17−9.713109.32494.3501.0045.04ACATOM9CDLYSA17−9.815109.16092.8311.0044.50ACATOM10CELYSA17−10.310110.42492.1391.0043.83ACATOM11NZLYSA17−9.331111.54492.2301.0044.25ANATOM12CLYSA17−7.262111.31196.5981.0042.58ACATOM13OLYSA17−6.572111.10997.6001.0045.33AOATOM14NASNA18−7.042112.31995.7611.0037.16ANATOM15CAASNA18−5.925113.24095.9591.0034.09ACATOM16CBASNA18−6.028113.96097.3081.0033.22ACATOM17CGASNA18−6.395115.41897.1581.0032.01ACATOM18OD1ASNA18−6.247116.20698.0891.0035.49AOATOM19ND2ASNA18−6.885115.78695.9851.0031.48ANATOM20CASNA18−4.623112.45795.9001.0032.40ACATOM21OASNA18−3.773112.71395.0501.0032.88AOATOM22NILEA19−4.467111.50996.8151.0028.35ANATOM23CAILEA19−3.279110.68096.8411.0027.60ACATOM24CBILEA19−2.834110.35298.2941.0029.50ACATOM25CG2ILEA19−1.468109.69298.2751.0025.53ACATOM26CG1ILEA19−2.825111.62199.1591.0029.78ACATOM27CD1ILEA19−1.836112.66898.7411.0032.54ACATOM28CILEA19−3.666109.38096.1451.0027.45ACATOM29OILEA19−4.662108.75396.5081.0025.33AOATOM30NGLNA20−2.893108.97495.1451.0026.41ANATOM31CAGLNA20−3.206107.74094.4411.0025.53ACATOM32CBGLNA20−3.957108.03893.1471.0026.11ACATOM33CGGLNA20−3.056108.30691.9751.0029.47ACATOM34CDGLNA20−3.813108.31990.6741.0034.14ACATOM35OE1GLNA20−3.219108.36889.5911.0031.35AOATOM36NE2GLNA20−5.143108.27490.7681.0037.97ANATOM37CGLNA20−1.977106.89494.1221.0024.85ACATOM38OGLNA20−0.903107.41293.7771.0022.03AOATOM39NVALA21−2.159105.57994.2251.0023.17ANATOM40CAVALA21−1.090104.62693.9691.0019.47ACATOM41CSVALA21−0.758103.83595.2491.0015.35ACATOM42CG1VALA210.377102.88194.9921.0014.68ACATOM43CG2VALA21−0.396104.79796.3661.0014.24ACATOM44CVALA21−1.454103.65992.8431.0018.07ACATOM45OVALA21−2.551103.11292.8131.0020.72AOATOM46NVALA22−0.524103.47091.9121.0017.46ANATOM47CAVALA22−0.723102.57390.7771.0014.29ACATOM48CBVALA22−0.963103.35489.4861.0014.92ACATOM49CG1VALA22−1.965104.46389.7481.0011.20ACATOM50CG2VALA220.352103.91188.9571.0011.06ACATOM51CVALA220.508101.71190.5791.0013.34ACATOM52OVALA221.611102.07090.9911.0013.92ACATOM53NVALA230.309100.56689.9491.0011.39ANATOM54CAVALA231.39399.64389.7031.0012.63ACATOM55CBVALA231.13398.25090.3741.0015.65ACATOM56CG1VALA232.11997.19789.8251.0015.58ACATOM57CG2VALA231.28198.35391.8841.0012.07ACATOM58CVALA231.48599.44988.2131.0015.60ACATOM59CVALA230.47099.43787.5241.0017.73ACATOM60NARGA242.70899.31987.7131.0014.97ANATOM61CAARGA242.92399.08486.3011.0013.12ACATOM62CBARGA243.496100.32885.6041.0010.82ACATOM63CGARGA243.702100.13484.0931.006.67ACATOM64CDARGA244.473101.26583.4561.006.06ACATOM65NEARGA244.351101.27881.9941.007.85ANATOM66CZARGA244.966102.15181.1921.009.23ACATOM67NH1ARGA245.762103.09181.6961.008.02ANATOM68NH2ARGA244.774102.10479.8811.007.40ANATOM69CARGA243.90297.92286.1641.0015.60ACATOM70OARGA245.05297.99886.5951.0015.99AOATOM71NCYSA253.43496.83685.5731.0015.63ANATOM72CACYSA254.28595.67885.3611.0016.73ACATOM73CBCYSA253.45094.39985.4401.0017.32ACATOM74SGCYSA254.38192.87485.2501.0020.32ASATOM75CCYSA254.90995.81883.9751.0017.67ACATOM76OCYSA254.23896.21883.0271.0016.89AOATOM77NARGA266.19595.51783.8581.0017.78ANATOM78CAARGA266.86595.60482.5621.0017.67ACATOM79CBARGA268.30296.10782.7161.0017.15ACATOM80CGARGA269.20895.19983.5521.0018.80ACATOM81CDARGA2610.67695.54783.3381.0017.93ACATOM82NEARGA2611.60994.77184.1601.0020.26ANATOM83CZARGA2611.80593.45684.0771.0019.16ACATOM84NH1ARGA2611.12392.72083.2101.0019.75ANATOM85NH2ARGA2612.72692.88084.8371.0015.85ANATOM86CARGA266.90394.21681.9481.0016.96ACATOM87OARGA266.56893.22982.5951.0017.21AOATOM88NPROA277.26594.12680.6711.0017.24ANATOM89CDPROA277.12495.14579.6191.0017.23ACATOM90CAPROA277.31292.78080.1021.0018.54ACATOM91CBPROA277.16793.03378.6001.0017.17ACATOM92CGPROA277.63394.43078.4151.0014.65ACATOM93CPROA278.63292.10380.4851.0018.24ACATOM94OPROA279.51092.73981.0571.0017.91AOATOM95NPHEA288.74990.80980.2071.0019.88ANATOM96CAPHEA289.96590.03980.4981.0017.92ACATOM97CBPHEA289.79888.60079.9901.0023.00ACATOM98CGPHEA289.04787.69580.9221.0024.72ACATOM99CD1PHEA287.71787.93181.2311.0024.32ACATOM100CD2PHEA289.68586.60881.4981.0024.63ACATOM101CE1PHEA287.03587.10382.1001.0026.65ACATOM102CE2PHEA289.00585.77382.3721.0026.80ACATOM103CZPHEA287.67686.02582.6731.0026.28ACATOM104CPHEA2811.23990.60979.8381.0018.12ACATOM105OPHEA2811.18391.18378.7551.0014.88AOATOM106NASNA2912.39190.43780.4841.0019.64ANATOM107CAASNA2913.64490.89379.8831.0021.51ACATOM108CBASNA2914.47291.72280.8721.0021.29ACATOM109CGASNA2915.11290.87681.9651.0021.06ACATOM110OD1ASNA2915.55389.75881.7161.0023.99AOATOM111ND2ASNA2915.18791.42083.1701.0014.68ANATOM112CASNA2914.44189.66879.4161.0020.75ACATOM113OASNA2914.20488.55779.8951.0020.66AOATOM114NLEUA3015.37989.86478.4931.0020.80ANATOM115CALEUA3016.17188.74877.9571.0024.28ACATOM116CBLEUA3017.28289.26777.0441.0025.77ACATOM117CGLEUA3016.78189.81975.7091.0031.66ACATOM118CD1LEUA3017.91790.52774.9791.0034.48ACATOM119CD2LEUA3016.21088.67874.8731.0030.62ACATOM120CLEUA3016.77687.82479.0041.0022.31ACATOM121OLEUA3016.64186.60278.9191.0022.70AOATOM122NALAA3117.44688.40779.9871.0019.75ANATOM123CAALAA3118.07287.62381.0441.0021.74ACATOM124CBALAA3118.72188.54982.0641.0017.74ACATOM125CALAA3117.07886.70081.7451.0022.05ACATOM126OALAA3117.41685.58382.1311.0024.75AOATOM127NGLUA3215.85287.17781.9151.0023.73ANATOM128CAGLUA3214.81886.39382.5681.0024.26ACATOM129CBGLUA3213.58087.26082.8281.0025.44ACATOM130CGGLUA3213.85488.43083.7711.0027.51ACATOM131CDGLUA3212.66689.37383.9301.0030.32ACATOM132OE1GLUA3212.15589.88982.9051.0028.69AOATOM133OE2GLUA3212.25789.60485.0881.0028.76AOATOM134CGLUA3214.45985.16681.7391.0025.13ACATOM135OGLUA3214.17284.10982.3031.0024.62AOATOM136NARGA3314.46185.29780.4121.0025.04ANATOM137CAARGA3314.16684.14979.5601.0026.77ACATOM138CBARGA3314.00784.56478.0941.0025.27ACATOM139CGARGA3312.97585.63177.8071.0024.68ACATOM140CDARGA3311.56585.15178.0501.0023.25ACATOM141NEARGA3310.59586.04977.4261.0024.08ANATOM142CZARGA339.28486.01077.6381.0021.64ACATOM143NH1ARGA338.75785.11778.4671.0022.53ANATOM144NH2ARGA338.49786.86277.0081.0025.09ANATOM145CARGA3315.39583.25079.6831.0027.71ACATOM146OARGA3315.29282.04279.8771.0024.20AOATOM147NLYSA3416.56283.87779.5791.0031.56ANATOM148CALYSA3417.84883.19079.6581.0035.36ACATOM149CBLYSA3418.98884.21279.5821.0035.79ACATOM150CGLYSA3420.32283.61279.2261.0039.68ACATOM151CDLYSA3420.27282.98977.8361.0045.68ACATOM152CELYSA3420.12484.05476.7531.0047.84ACATOM153NZLYSA3418.91884.90676.9571.0048.71ANATOM154CLYSA3417.99282.34380.9271.0036.24ACATOM155OLYSA3418.83881.44980.9911.0036.34AOATOM156NALAA3517.17782.63781.9341.0036.35ANATOM157CAALAA3517.18881.88183.1821.0035.76ACATOM158CBALAA3517.32382.80984.3571.0033.44ACATOM159CALAA3515.89381.07283.2991.0038.00ACATOM160OALAA3515.63880.43684.3211.0039.76AOATOM161NSERA3615.07881.11382.2451.0038.71ANATOM162CASERA3613.81980.37282.1841.0038.62ACATOM163CBSERA3614.08578.86782.3581.0040.39ACATOM164OGSERA3614.91578.35281.3271.0041.70AOATOM165CSERA3612.75180.80983.1901.0038.16ACATOM166OSERA3611.73980.12483.3541.0040.17AOATOM167NALAA3712.96681.94483.8501.0034.88ANATOM168CAALAA3712.01782.45384.8411.0030.25ACATOM169CBALAA3712.28783.93985.1211.0029.50ACATOM170CALAA3710.57682.26184.3911.0026.77ACATOM171OALAA3710.29982.17283.2031.0024.81AOATOM172NHISA389.66482.22085.3551.0025.50ANATOM173CAHISA388.24982.02585.0731.0026.59ACATOM174CBHISA387.76080.74685.7651.0031.43ACATOM175CGHISA388.73379.61185.6931.0036.14ACATOM176CD2HISA389.30978.87686.6691.0037.46ACATOM177ND1HISA389.23279.12184.5051.0038.93ANATOM178CE1HISA3810.07678.13584.7551.0039.21ACATOM179NE2HISA3810.14177.96686.0621.0038.50ANATOM180CHISA387.39583.20785.5411.0024.15ACATOM181OHISA387.69383.83686.5491.0023.76AOATOM182NSERA396.32383.48984.8111.0020.88ANATOM183CASERA395.41784.57485.1631.0022.81ACATOM184CBSERA394.37484.77484.0551.0025.24ACATOM185OGSERA393.41785.76984.3971.0027.59AOATOM186CSERA394.69984.28686.4731.0022.04ACATOM187OSERA393.99983.28686.5991.0022.64AOATOM188NILEA404.86985.16987.4481.0022.95ANATOM189CAILEA404.21784.99988.7391.0021.01ACATOM190CBILEA405.24784.81089.8601.0018.37ACATOM191CG2ILEA406.09583.59289.5621.0023.64ACATOM192CG1ILEA406.14486.04389.9761.0017.30ACATOM193CD1ILEA407.16885.93791.0811.0018.78ACATOM194CILEA403.35986.21989.0351.0022.81ACATOM195OILEA402.84686.37590.1421.0022.11AOATOM196NVALA413.19787.07288.0241.0022.07ANATOM197CAVALA412.41188.28888.1641.0024.45ACATOM198CBVALA413.28689.53987.9301.0024.79ACATOM199CG1VALA412.43690.78988.0321.0023.69ACATOM200CG2VALA414.41689.58388.9531.0022.06ACATOM201CVALA411.21188.35187.2181.0025.88ACATOM202OVALA411.33888.20586.0031.0024.88AOATOM203NGLUA420.03988.56987.7951.0026.62ANATOM204CAGLUA42−1.18388.66487.0231.0028.55ACATOM205CBGLUA42−2.15287.54487.4101.0030.56ACATOM206CGGLUA42−1.58386.13787.2131.0036.63ACATOM207CDGLUA42−1.00085.53188.4911.0038.85ACATOM208OE1GLUA42−0.31684.48688.3921.0042.00AOATOM209OE2GLUA42−1.23186.08689.5901.0036.65AOATOM210CGLUA42−1.79090.01687.3361.0029.64ACATOM211OGLUA42−2.03390.32988.5011.0032.44AOATOM212NCYSA43−2.02890.81586.2971.0029.03ANATOM213CACYSA43−2.59092.15186.4581.0028.81ACATOM214CBCYSA43−1.65593.19085.8101.0029.72ACATOM215SGCYSA430.03993.27886.5091.0028.89ASATOM216CCYSA43−3.99392.27585.8581.0027.89ACATOM217OCYSA43−4.19492.00184.6781.0028.38AOATOM218NASPA44−4.95792.69186.6761.0027.50ANATOM219CAASPA44−6.33592.86386.2221.0026.24ACATOM220CBASPA44−7.28191.97787.0351.0029.87ACATOM221CGASPA44−8.71992.09086.5751.0032.23ACATOM222OD1ASPA44−9.21793.23186.4361.0034.69ACATOM223OD2ASPA44−9.35491.03786.3581.0034.21AOATOM224CASPA44−6.75594.31886.3631.0026.22ACATOM225OASPA44−7.21094.75787.4151.0026.81AOATOM226NPROA45−6.61295.09285.2881.0028.07ANATOM227CDPROA45−6.15994.69083.9451.0028.13ACATOM228CAPROA45−6.98196.50685.3131.0027.77ACATOM229CBPROA45−6.56596.98683.9301.0027.06ACATOM230CGPROA45−6.74895.76483.0891.0028.18ACATOM231CPROA45−8.45496.77385.6181.0028.04ACATOM232OPROA45−8.77897.76786.2671.0030.40AOATOM233NVALA46−9.34295.89285.1661.0026.99ANATOM234CAVALA46−10.77396.08085.4011.0028.61ACATOM235CAVALA46−11.62495.02084.6441.0030.12ACATOM236CG1VALA46−13.10595.24384.9181.0026.52ACATOM237CG2VALA46−11.35695.10683.1451.0028.25ACATOM238CVALA46−11.13696.03686.8791.0028.50ACATOM239OVALA46−12.07796.69487.3191.0027.64AOATOM240NARGA47−10.39395.25487.6471.0029.75ANATOM241CAARGA47−10.65095.15889.0711.0030.08ACATOM242CBARGA47−10.67693.69389.5141.0029.93ACATOM243CGARGA47−11.90292.92989.0331.0030.69ACATOM244CDARGA47−11.78491.44089.3131.0032.20ACATOM245NEARGA47−11.60191.15590.7341.0032.04ANATOM246CZARGA47−12.53191.34991.6641.0034.54ACATOM247NH1ARGA47−13.72391.83091.3271.0037.36ANATOM248NH2ARGA47−12.26791.07692.9371.0033.04ANATOM249CARGA47−9.58395.92689.8371.0030.64ACATOM250OARGA47−9.64596.04691.0681.0030.34AOATOM251NLYSA48−8.60296.44989.1051.0028.97ANATOM252CALYSA48−7.53597.21789.7301.0027.59ACATOM253CBLYSA48−8.14098.33790.5741.0030.84ACATOM254CGLYSA48−9.37598.98589.9641.0034.46ACATOM255CDLYSA48−10.15299.75391.0151.0038.00ACATOM256CELYSA48−11.383100.41890.4251.0041.61ACATOM257NZLYSA48−11.041101.47589.4241.0043.60ANATOM258CLYSA48−6.75696.29390.6431.0026.01ACATOM259OLYSA48−6.48296.64491.7861.0026.06AOATOM260NGLUA49−6.40095.11590.1481.0025.46ANATOM261CAGLUA49−5.68294.15590.9711.0024.97ACATOM262CBGLUA49−6.59892.97491.3141.0027.64ACATOM263CGGLUA49−7.65493.26392.3841.0033.12ACATOM264CDGLUA49−8.48192.02792.7541.0035.39ACATOM265OE1GLUA49−9.24291.52191.9011.0034.46AOATOM266OE2GLUA49−8.36991.55593.9041.0037.34AOATOM267CGLUA49−4.38493.60890.4031.0023.37ACATOM268OGLUA49−4.11193.69789.2031.0022.08AOATOM269NVALA50−3.58793.04391.3031.0021.81ANATOM270CAVALA50−2.31892.41290.9681.0022.02ACATOM271CBVALA50−1.15293.44090.9251.0019.13ACATOM272CG1VALA50−1.42394.56291.8811.0018.70ACATOM273CG2VALA500.16792.74791.2431.0014.17ACATOM274CVALA50−2.04091.32992.0161.0020.07ACATOM275OVALA50−2.00491.60593.2121.0015.87AOATOM276NSERA51−1.87990.09591.5461.0019.78ANATOM277CASERA51−1.62388.95192.4151.0022.71ACATOM278CBSERA51−2.80787.97992.3691.0021.47ACATOM279OGSERA51−2.94287.42091.0811.0021.52AOATOM280CSERA51−0.33488.22392.0091.0022.75ACATOM281OSERA510.00788.13890.8271.0020.00AOATOM282NVALA520.37187.70493.0081.0023.62ANATOM283CAVALA521.63487.01092.8011.0025.35ACATOM284CBVALA522.78487.77593.4971.0025.17ACATOM285CG1VALA524.12887.23893.0361.0022.61ACATOM286CG2VALA522.66189.27793.2281.0020.90ACATOM287CVALA521.59385.59393.3751.0027.83ACATOM288OVALA520.96885.35294.4081.0029.98AOATOM289NARGA532.26684.65992.7121.0029.91ANATOM290CAARGA532.31183.28593.1911.0032.85ACATOM291CBARGA532.85982.34692.1321.0033.97ACATOM292CGARGA532.07382.25890.8661.0036.59ACATOM293CDARGA532.64781.13990.0121.0041.53ACATOM294NEARGA532.28081.28188.6091.0043.69ANATOM295CZARGA531.03281.42388.1751.0044.49ACATOM296NH1ARGA530.02181.44089.0361.0040.69ANATOM297NH2ARGA530.79881.55786.8771.0043.14ANATOM298CARGA533.24283.20394.3811.0035.83ACATOM299OARGA534.05584.08694.6061.0038.67AOATOM300NTHRA543.12982.12295.1341.0041.07ANATOM301CATHRA543.98281.90596.2911.0042.64ACATOM302CBTHRA543.14181.97397.5981.0044.25ACATOM303OG1THRA542.82183.34591.8701.0040.26AOATOM304CG2THRA543.89981.38398.7831.0046.14ACATOM305CTHRA544.63580.54096.0611.0043.69ACATOM306OTHRA545.47480.08296.8281.0043.51AOATOM307NGLYA554.30379.95894.9091.0045.25ANATOM308CAGLYA554.83578.66394.5211.0049.37ACATOM309CGLYA556.23778.33195.0071.0050.62ACATOM310OGLYA557.22878.76294.4111.0050.83AOATOM311NGLYA566.31277.55596.0921.0051.54ANATOM312CAGLYA567.58877.13896.6571.0049.89ACATOM313CGLYA567.86475.68096.3221.0049.37ACATOM314OGLYA569.00675.28496.0821.0049.16AOATOM315NLEUA576.80674.87996.3161.0049.62ANATOM316CALEUA576.88573.45795.9781.0048.31ACATOM317CBLEUA577.59672.66497.0811.0046.41ACATOM318CGLEUA579.12172.82097.1611.0043.71ACATOM319CD1LEUA579.49973.87798.1961.0043.69ACATOM320CD2LEUA579.73771.48597.5401.0043.01ACATOM321CLEUA575.46372.94395.7751.0048.54ACATOM322OLEUA575.23271.75695.5361.0048.19AOATOM323NALAA584.51873.87595.8651.0049.85ANATOM324CAALAA583.09973.59695.6951.0050.62ACATOM325CBALAA582.52372.98196.9751.0050.26ACATOM326CALAA582.39074.91495.3721.0050.41ACATOM327OALAA581.61475.43096.1811.0050.22AOATOM328NASPA592.68075.46194.1941.0050.13ANATOM329CAASPA592.07276.71093.7481.0049.63ACATOM330CBASPA592.77177.22192.4811.0048.05ACATOM331CGASPA592.48776.34691.2661.0046.55ACATOM332OD1ASPA593.38775.59590.8281.0042.64AOATOM333OD2ASPA591.35376.40890.7491.0047.39AOATOM334CASPA590.59776.44793.4391.0050.19ACATOM335OASPA590.02675.45893.9081.0051.06AOATOM336NLYSA600.01077.33392.6511.0048.04ANATOM337CALYSA60−1.41177.20292.2491.0048.04ACATOM338CBLYSA60−1.70275.78091.7541.0049.08ACATOM339CGLYSA60−2.16074.81892.8401.0048.13ACATOM340CDLYSA60−2.37373.41192.2941.0049.29ACATOM341CELYSA60−3.40973.38891.1771.0048.17ACATOM342NZLYSA60−2.98174.18489.9901.0048.76ANATOM343CLYSA60−2.37677.53093.3761.0047.62ACATOM344OLYSA60−3.49278.00093.1371.0045.38AOATOM345NSERA61−1.94477.27394.6041.0047.68ANATOM346CASERA61−2.77677.53895.7731.0046.65ACATOM347CBSERA61−2.92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116.27587.5051.0018.88ACATOM1232CD1LEUA17121.170115.08187.2791.0020.14ACATOM1233CD2LEUA17123.517115.84687.4561.0017.29ACATOM1234CLEUA17122.546119.58385.5251.0021.57ACATOM1235OLEUA17123.077119.38484.4371.0025.13AOATOM1236NLEUA17221.814120.66185.7721.0023.25ANATOM1237CALEUA17221.590121.67884.7421.0025.15ACATOM1238CBLEUA17220.135122.16184.7981.0022.50ACATOM1239CGLEUA17219.126121.37683.9561.0019.56ACATOM1240CD1LEUA17219.487119.92683.9821.0016.35ACATOM1241CD2LEUA17217.712121.61384.4531.0016.56ACATOM1242CLEUA17222.526122.88684.8331.0027.89ACATOM1243OLEUA17222.196123.96384.3401.0030.34AOATOM1244NASNA17323.688122.71285.4571.0030.10ANATOM1245CAASNA17324.646123.80285.6051.0032.86ACATOM1246CBASNA17325.097123.91387.0641.0034.33ACATOM1247CGASNA17326.016125.10287.3061.0037.08ACATOM1248OD1ASNA17326.881125.41186.4831.0037.63AOATOM1249ND2ASNA17325.845125.76388.4491.0036.61ANATOM1250CASNA17325.863123.57884.7131.0036.05ACATOM1251OASNA17326.563122.57084.8331.0037.05AOATOM1252NPROA17426.138124.52783.8081.0038.71ANATOM1253CDPROA17425.341125.74183.5681.0038.63ACATOM1254CAPROA17427.272124.45482.8781.0039.37ACATOM1255CBPROA17427.192125.78482.1341.0038.93ACATOM1256CGPROA17425.721126.08382.1441.0039.67ACATOM1257CPROA17428.619124.27083.5821.0040.68ACATOM1258OPROA17429.129123.15283.6841.0041.07AOATOM1259NSERA17529.190125.37184.0621.0041.76ANATOM1260CASERA17530.477125.33584.7571.0044.13ACATOM1261CBSERA17530.926126.75685.1081.0047.05ACATOM1262OGSERA17530.087127.33586.0981.0047.60AOATOM1263CSERA17530.373124.52486.0381.0044.79ACATOM1264OSERA17529.948123.37086.0271.0046.17AOATOM1265NSERA17630.764125.15487.1421.0046.33ANATOM1266CASERA17630.706124.55988.4761.0047.41ACATOM1267CBSERA17629.253124.19588.8201.0047.21ACATOM1268OGSERA17628.727123.22987.9281.0047.29AOATOM1269CSERA17631.613123.35688.7551.0047.00ACATOM1270OSERA17632.492123.43889.6221.0048.12AOATOM1271NASPA17731.392122.25188.0371.0044.30ANATOM1272CAASPA17732.169121.02188.2151.0043.49ACATOM1273CBASPA17733.472121.30188.9761.0044.02ACATOM1274CGASPA17734.311120.05489.1861.0045.03ACATOM1275OD1ASPA17733.829119.09989.8331.0045.25AOATOM1276OD2ASPA17735.460120.03188.7051.0045.93AOATOM1277CASPA17731.316120.01688.9891.0042.24ACATOM1278OASPA17730.846120.30090.0881.0041.58AOATOM1279NVALA17831.133118.83488.4131.0041.29ANATOM1280CAVALA17830.306117.79189.0121.0042.33ACATOM1281CBVALA17830.346116.51388.1381.0042.40ACATOM1282CG1VALA17830.197116.89986.6721.0042.78ACATOM1283CG2VALA17831.639115.74288.3721.0040.61ACATOM1284CVALA17830.564117.39390.4761.0042.21ACATOM1285OVALA17829.751116.68091.0681.0042.47AOATOM1286NSERA17931.668117.84491.0681.0041.58ANATOM1287CASERA17931.964117.48492.4571.0040.78ACATOM1288CBSERA17933.456117.18192.6221.0041.71ACATOM1289OGSERA17934.246118.33592.3841.0041.80AOATOM1290CSERA17931.564118.55593.4721.0040.05ACATOM1291OSERA17932.048118.54794.6031.0039.37AOATOM1292NGLUA18030.677119.46493.0741.0039.55ANATOM1293CAGLUA18030.230120.54893.9471.0041.07ACATOM1294CBGLUA18030.265121.86593.1621.0042.35ACATOM1295CGGLUA18029.547123.02693.8291.0044.57ACATOM1296CDGLUA18029.599124.30593.0001.0047.29ACATOM1297OE1GLUA18028.809125.23293.2861.0049.44AOATOM1298OE2GLUA18030.434124.39092.0721.0046.48AOATOM1299CGLUA18028.828120.30794.5231.0039.19ACATOM1300OGLUA18027.881120.09593.7731.0039.05AOATOM1301NARGA18128.689120.34795.8491.0036.90ANATOM1302CAARGA18127.384120.11896.4681.0035.39ACATOM1303CBARGA18127.521119.26897.7351.0035.60ACATOM1304CGARGA18128.176117.92597.5001.0038.66ACATOM1305CDARGA18129.696118.01797.6091.0040.98ACATOM1306NEARGA18130.149117.92398.9971.0040.75ANATOM1307CZARGA18131.420118.00399.3781.0041.29ACATOM1308NH1ARGA18132.378118.18698.4751.0041.03ANATOM1309NH2ARGA18131.737117.889100.6621.0040.35ANATOM1310CARGA18126.630121.39896.8061.0034.19ACATOM1311OARGA18127.231122.43797.0701.0032.33AOATOM1312NLEUA18225.305121.30896.8061.0032.32ANATOM1313CALEUA18224.474122.46297.1031.0032.86ACATOM1314CBLEUA18223.227122.46696.2161.0031.46ACATOM1315CGLEUA18223.514122.60294.7231.0029.64ACATOM1316CD1LEUA18222.217122.91693.9891.0029.22ACATOM1317CD2LEUA18224.527123.71294.5041.0025.26ACATOM1318CLEUA18224.063122.52698.5631.0033.11ACATOM1319OLEUA18223.963121.51699.2481.0034.30AOATOM1320NGLNA18323.822123.73799.0321.0035.07ANATOM1321CAGLNA18323.421123.938100.4061.0036.11ACATOM1322CBGLNA18324.218125.103101.0031.0041.67ACATOM1323CGGLNA18325.733124.971100.7801.0045.42ACATOM1324CDGLNA18326.539126.094101.4191.0047.48ACATOM1325OE1GLNA18327.748126.212101.1931.0046.58AOATOM1326NE2GLNA18325.874126.920102.2271.0047.08ANATOM1327CGLNA18321.925124.218100.4341.0035.14ACATOM1328OGLNA18321.393124.94399.5851.0031.37AOATOM1329NMETA18421.253123.633101.4161.0034.56ANATOM1330CAMETA18419.819123.790101.5521.0035.32ACATOM1331CBMETA18419.144122.449101.2761.0037.15ACATOM1332CGMETA18417.702122.376101.7241.0039.29ACATOM1333SDMETA18417.026120.749101.4061.0046.67ASATOM1334CEMETA18417.652119.805102.8071.0037.41ACATOM1335CMETA18419.424124.284102.9311.0034.27ACATOM1336OMETA18420.049123.922103.9151.0035.08AOATOM1337NPHEA18518.385125.114102.9951.0034.93ANATOM1338CAPHEA18517.894125.628104.2721.0035.00ACATOM1339CBPHEA18518.895126.620104.8771.0036.50ACATOM1340CGPHEA18519.457127.606103.8941.0038.47ACATOM1341CD1PHEA18518.654128.580103.3241.0039.19ACATOM1342CD2PHEA18520.801127.565103.5541.0039.21ACATOM1343CE1PHEA18519.182129.498102.4331.0039.76ACATOM1344CE2PHEA18521.336128.474102.6671.0039.34ACATOM1345CZPHEA18520.525129.445102.1051.0041.47ACATOM1346CPHEA18516.503126.247104.2201.0033.87ACATOM1347OPHEA18516.067126.748103.1891.0033.92AOATOM1348NASPA18615.820126.188105.3591.0034.25ANATOM1349CAASPA18614.464126.708105.5371.0034.70ACATOM1350CBASPA18614.134126.745107.0241.0033.45ACATOM1351CGASPA18614.151125.373107.6551.0033.81ACATOM1352OD1ASPA18614.134125.300108.9001.0033.45AOATOM1353OD2ASPA18614.170124.366106.9141.0030.88AOATOM1354CASPA18614.186128.081104.9401.0035.60ACATOM1355OASPA18614.975129.017105.0981.0033.00AOATOM1356NASPA18713.035128.191104.2831.0036.69ANATOM1357CAASPA18712.618129.438103.6501.0039.53ACATOM1358CBASPA18711.891129.134102.3401.0039.55ACATOM1359CGASPA18711.460130.387101.6141.0040.96ACATOM1360OD1ASPA18710.651130.267100.6641.0041.44AOATOM1361OD2ASPA18711.935131.488101.9921.0040.46AOATOM1362CASPA18711.709130.284104.5431.0039.91ACATOM1363OASPA18710.694129.807105.0461.0041.26AOATOM1364NPROA18812.065131.558104.7441.0042.01ANATOM1365CDPROA18813.339132.149104.3011.0043.41ACATOM1366CAPROA18811.308132.509105.5671.0044.15ACATOM1367CBPROA18812.152133.781105.4851.0043.77ACATOM1368CGPROA18813.547133.251105.3151.0044.44ACATOM1369CPROA1889.880132.743105.0571.0047.21ACATOM1370OPROA1889.638132.801103.8421.0046.47AOATOM1371NARGA1898.939132.889105.9871.0048.80ANATOM1372CAARGA1897.544133.125105.6281.0050.89ACATOM1373CBARGA1897.460134.142104.4831.0053.43ACATOM1374CGARGA1897.857135.568104.8461.0055.35ACATOM1375CDARGA1897.857136.471103.6171.0056.93ACATOM1376NEARGA1896.704136.223102.7531.0059.39ANATOM1377CZARGA1896.558135.141101.9901.0059.94ACATOM1378NH1ARGA1897.497134.200101.9761.0058.44ANATOM1379NH2ARGA1895.471134.992101.2421.0059.57ANATOM1380CARGA1896.858131.827105.2001.0051.44ACATOM1381OARGA1896.009131.293105.9151.0050.73AOATOM1382NASNA1907.224131.327104.0221.0051.35ANATOM1383CAASNA1906.635130.095103.5241.0050.74ACATOM1384CBASNA1906.777129.989102.0091.0051.34ACATOM1385CGASNA1906.326128.635101.4761.0052.20ACATOM1386OD1ASNA1906.409128.367100.2801.0054.49AOATOM1387ND2ASNA1905.845127.778102.3671.0050.92ANATOM1388CASNA1907.288128.884104.1571.0050.41ACATOM1389OASNA1908.149128.247103.5541.0050.91AOATOM1390NLYSA1916.883128.572105.3791.0050.02ANATOM1391CALYSA1917.418127.413106.0671.0049.63ACATOM1392CBLYSA1916.701127.243107.4061.0050.22ACATOM1393CGLYSA1917.209126.101108.2731.0050.50ACATOM1394CDLYSA1916.644126.212109.6811.0051.57ACATOM1395CELYSA1917.159127.463110.4011.0052.88ACATOM1396NZLYSA1916.852128.740109.6861.0053.10ANATOM1397CLYSA1917.127126.236105.1421.0048.85ACATOM1398OLYSA1916.679126.428104.0091.0049.68AOATOM1399NARGA1927.378125.018105.5991.0046.67ANATOM1400CAARGA1927.105123.868104.7481.0044.80ACATOM1401CBARGA1925.608123.784104.4581.0047.22ACATOM1402CGARGA1924.742123.527105.6851.0050.78ACATOM1403CDARGA1923.260123.434105.3181.0052.19ACATOM1404NEARGA1923.009122.488104.2301.0054.56ANATOM1405CZARGA1923.234122.745102.9421.0057.14ACATOM1406NH1ARGA1923.715123.927102.5691.0057.70ANATOM1407NH2ARGA1922.984121.820102.0191.0056.71ANATOM1408CARGA1927.865123.980103.4311.0041.35ACATOM1409OARGA1927.735123.123102.5581.0039.56AOATOM1410NGLYA1938.645125.048103.2931.0038.55ANATOM1411CAGLYA1939.423125.257102.0851.0035.30ACATOM1412CGLYA19310.913125.231102.3741.0032.57ACATOM1413OGLYA19311.332125.335103.5221.0034.21AOATOM1414NVALA19411.720125.087101.3331.0030.19ANATOM1415CAVALA19413.168125.054101.4951.0029.01ACATOM1416CBVALA19413.700123.614101.5121.0029.20ACATOM1417CG1VALA19412.953122.796102.5501.0028.70ACATOM1418CG2VALA19413.560122.993100.1251.0026.36ACATOM1419CVALA19413.822125.785100.3291.0029.43ACATOM1420OVALA19413.216125.95099.2651.0026.23AOATOM1421NILEA19515.058126.225100.5371.0028.93ANATOM1422CAILEA19515.800126.93699.5051.0030.00ACATOM1423CBILEA19516.087128.38599.8991.0029.05ACATOM1424CG2ILEA19517.153128.96298.9821.0029.77ACATOM1425CG1ILEA19514.802129.21199.8121.0032.93ACATOM1426CD1ILEA19514.968130.648100.2811.0035.45ACATOM1427CILEA19517.126126.25799.2241.0031.80ACATOM1428OILEA19517.949126.077100.1141.0032.60AOATOM1429NILEA19617.323125.87597.9711.0032.82ANATOM1430CAILEA19618.543125.21197.5561.0031.27ACATOM1431CBILEA19618.205124.01096.6551.0030.68ACATOM1432CG2ILEA19619.449123.19796.3631.0032.58ACATOM1433CG1ILEA19617.180123.12597.3621.0031.63ACATOM1434CD1ILEA19616.686121.97896.5301.0029.62ACATOM1435CILEA19619.315126.26296.7831.0030.09ACATOM1436OILEA19619.117126.43295.5871.0030.53AOATOM1437NLYSA19720.189126.98197.4731.0030.85ANATOM1438CALYSA19720.949128.03896.8201.0031.10ACATOM1439CBLYSA19721.740128.86297.8311.0029.66ACATOM1440CGLYSA19722.799128.09498.5661.0032.42ACATOM1441CDLYSA19723.844129.04199.1511.0033.86ACATOM1442CELYSA19723.205130.23999.8311.0034.54ACATOM1443NZLYSA19722.547131.14398.8451.0038.02ANATOM1444CLYSA19721.891127.53595.7491.0029.14ACATOM1445OLYSA19722.534126.49895.9011.0028.56AOATOM1446NGLYA19821.959128.29694.6611.0029.04ANATOM1447CAGLYA19822.817127.94193.5541.0027.12ACATOM1448CGLYA19822.082127.11592.5251.0028.06ACATOM1449OGLYA19822.507127.05391.3711.0029.31AOATOM1450NLEUA19920.978126.48792.9251.0027.38ANATOM1451CALEUA19920.233125.66091.9911.0027.34ACATOM1452CBLEUA19918.913125.16792.5941.0026.95ACATOM1453CGLEUA19918.255124.07991.7321.0023.86ACATOM1454CD1LEUA19919.221122.90791.6031.0023.14ACATOM1455CD2LEUA19916.944123.62092.3351.0020.24ACATOM1456CLEUA19919.939126.44590.7331.0027.62ACATOM1457OLEUA19919.464127.57690.7921.0030.54AOATOM1458NGLUA20020.232125.82889.5981.0026.74ANATOM1459CAGLUA20020.021126.42788.2921.0027.77ACATOM1460CBGLUA20020.920125.71487.2751.0028.86ACATOM1461CGGLUA20021.067126.40085.9391.0033.25ACATOM1462CDGLUA20021.961127.63185.9961.0033.33ACATOM1463OE1GLUA20021.605128.60586.6971.0035.24AOATOM1464OE2GLUA20023.019127.62085.3321.0031.62AOATOM1465CGLUA20018.545126.26887.9001.0027.25ACATOM1466OGLUA20017.969125.18888.0291.0027.74AOATOM1467NGLUA20117.929127.34787.4381.0027.08ANATOM1468CAGLUA20116.537127.30087.0181.0025.87ACATOM1469CBGLUA20115.665128.08587.9901.0025.25ACATOM1470CGGLUA20115.710127.50589.3981.0030.83ACATOM1471CDGLUA20114.539127.92790.2661.0030.45ACATOM1472OE1GLUA20114.430129.12790.6041.0031.33AOATOM1473OE2GLUA20113.727127.04290.6081.0033.74AOATOM1474CGLUA20116.392127.85985.6091.0025.65ACATOM1475OGLUA20115.987129.00185.4231.0025.32AOATOM1476NILEA20216.735127.02884.6261.0026.55ANATOM1477CAILEA20216.683127.37883.2111.0025.58ACATOM1478CBILEA20217.137126.19082.3251.0024.62ACATOM1479CG2ILEA20217.315126.64780.9021.0021.69ACATOM1480CG1ILEA20218.451125.59882.8481.0026.45ACATOM1481CD1ILEA20219.610126.56482.8621.0021.84ACATOM1482CILEA20215.290127.77082.7601.0026.15ACATOM1483OILEA20214.314127.12183.1161.0027.71AOATOM1484NTHRA20315.208128.84081.9761.0027.89ANATOM1485CATHRA20313.942129.31381.4371.0028.95ACATOM1486CBTHRA20313.939130.84181.2801.0029.78ACATOM1487OG1THRA20314.135131.45182.5581.0031.82AOATOM1488CG2THRA20312.616131.32380.7011.0031.36ACATOM1489CTHRA20313.796128.68280.0581.0030.82ACATOM1490OTHRA20314.721128.73879.2471.0032.61AOATOM1491NVALA20412.644128.07079.8001.0031.47ANATOM1492CAVALA20412.376127.42378.5121.0030.94ACATOM1493CBVALA20411.719126.02178.7131.0030.83ACATOM1494CG1VALA20411.725125.23577.4111.0029.45ACATOM1495CG2VALA20412.454125.25179.8061.0030.28ACATOM1496CVALA20411.416128.31677.7371.0030.13ACATOM1497OVALA20410.255128.45878.1091.0030.73AOATOM1498NHISA20511.899128.91476.6581.0030.14ANATOM1499CAHISA20511.075129.81875.8621.0029.71ACATOM1500CBHISA20511.961130.83975.1391.0029.33ACATOM1501CGHISA20513.018131.44476.0091.0029.66ACATOM1502CD2HISA20513.060132.62876.6651.0027.43ACATOM1503ND1HISA20514.194130.79176.3181.0029.40ANATOM1504CE1HISA20514.913131.54777.1291.0029.25ACATOM1505NE2HISA20514.247132.66777.3561.0028.09ANATOM1506CHISA20510.169129.13074.8451.0030.17ACATOM1507OHISA2059.086129.63674.5391.0029.29AOATOM1508NASNA20610.600127.98674.3191.0031.72ANATOM1509CAASNA2069.793127.28273.3341.0032.43ACATOM1510CBASNA20610.255127.66171.9331.0033.10ACATOM1511CGASNA20611.633127.15171.6241.0033.52ACATOM1512OD1ASNA20611.854125.94071.5461.0038.65AOATOM1513ND2ASNA20612.576128.06771.4451.0032.20ANATOM1514CASNA2069.760125.76073.4691.0033.08ACATOM1515OASNA20610.724125.13373.8991.0030.00AOATOM1516NLYSA2078.629125.18673.0731.0035.89ANATOM1517CALYSA2078.387123.75073.1341.0038.20ACATOM1518CBLYSA2077.003123.43472.5551.0040.57ACATOM1519CGLYSA2076.653121.94972.5121.0041.21ACATOM1520CDLYSA2075.679121.65071.3811.0042.79ACATOM1521CELYSA2076.289121.99370.0281.0045.17ACATOM1522NZLYSA2075.453121.53068.8911.0043.79ANATOM1523CLYSA2079.428122.89672.4171.0039.32ACATOM1524OLYSA2079.083121.86771.8301.0041.12AOATOM1525NASPA20810.691123.31072.4431.0038.23ANATOM1526CAASPA20811.731122.51071.8041.0039.89ACATOM1527CBASPA20811.584122.55270.2801.0041.78ACATOM1528CGASPA20811.414121.15669.6761.0043.58ACATOM1529OD1ASPA20812.375120.35569.7481.0045.57AOATOM1530OD2ASPA20810.323120.85569.1421.0038.46AOATOM1531CASPA20813.137122.91372.2171.0039.63ACATOM1532OASPA20814.130122.44471.6591.0039.93AOATOM1533NGLUA20913.208123.78573.2141.0039.09ANATOM1534CAGLUA20914.478124.24473.7461.0035.35ACATOM1535CBGLUA20914.330125.66974.2821.0035.77ACATOM1536CGGLUA20915.642126.39174.5541.0037.17ACATOM1537CDGLUA20915.430127.79875.0881.0038.27ACATOM1538OE1GLUA20914.736128.60374.4251.0035.17AOATOM1539OE2GLUA20915.960128.09776.1771.0040.07AOATOM1540CGLUA20914.747123.27974.8851.0034.21ACATOM1541OGLUA20915.863123.16975.3901.0035.45AOATOM1542NVALA21013.693122.57175.2701.0032.75ANATOM1543CAVALA21013.754121.59876.3511.0032.75ACATOM1544CBVALA21012.346120.96576.6141.0035.46ACATOM1545CG1VALA21011.287122.04976.6761.0036.80ACATOM1546CG2VALA21012.002119.96975.5251.0036.70ACATOM1547CVALA21014.744120.47876.0311.0029.94ACATOM1548OVALA21015.580120.11676.8581.0030.76AOATOM1549NTYRA21114.650119.94574.8201.0026.77ANATOM1550CATYRA21115.510118.85274.3971.0027.14ACATOM1551CBTYRA21115.312118.58172.9071.0024.99ACATOM1552CGTYRA21116.045117.35872.4181.0021.82ACATOM1553CD1TYRA21117.412117.39172.1701.0021.81ACATOM1554CE1TYRA21118.093116.25871.7511.0023.80ACATOM1555CD2TYRA21115.372116.16072.2331.0021.14ACATOM1556CE2TYRA21116.038115.01971.8131.0024.24ACATOM1557CZTYRA21117.400115.07171.5741.0026.17ACATOM1558OHTYRA21118.066113.93071.1771.0027.08AOATOM1559CTYRA21116.995119.03474.6801.0027.92ACATOM1560OTYRA21117.643118.13675.2021.0025.50AOATOM1561NGLNA21217.541120.19174.3321.0030.90ANATOM1562CAGLNA21218.958120.41174.5491.0032.93ACATOM1563CBGLNA21219.454121.57273.6831.0035.09ACATOM1564CGGLNA21219.102122.94674.1911.0039.70ACATOM1565CDGLNA21219.239123.99973.1081.0042.59ACATOM1566OE1GLNA21219.405125.18573.3941.0045.65AOATOM1567NE2GLNA21219.154123.57171.8531.0043.32ANATOM1568CGLNA21219.272120.65676.0131.0031.57ACATOM1569OGLNA21220.348120.29076.4911.0031.33AOATOM1570NILEA21318.337121.26376.7341.0030.80ANATOM1571CAILEA21318.561121.51478.1511.0030.91ACATOM1572CBILEA21317.411122.33678.7551.0030.52ACATOM1573CG2ILEA21317.623122.51480.2591.0028.20ACATOM1574CG1ILEA21317.355123.70678.0801.0031.84ACATOM1575CD1ILEA21316.252124.59978.6041.0031.68ACATOM1576CILEA21318.710120.18478.9071.0030.16ACATOM1577OILEA21319.578120.04279.7671.0029.32AOATOM1578NLEUA21417.866119.21278.5741.0027.33ANATOM1579CALEUA21417.923117.91079.2161.0024.78ACATOM1580CBLEUA21416.588117.18279.0401.0022.50ACATOM1581CGLEUA21415.484117.76179.9321.0023.55ACATOM1582CD1LEUA21414.152117.18879.5761.0021.76ACATOM1583CD2LEUA21415.809117.45881.3851.0025.65ACATOM1584CLEUA21419.069117.06978.6691.0026.61ACATOM1585OLEUA21419.738116.35779.4211.0025.92AOATOM1586NGLUA21519.307117.15277.3621.0028.15ANATOM1587CAGLUA21520.392116.39776.7551.0028.53ACATOM1588CBGLUA21520.514116.72175.2691.0030.78ACATOM1589CGGLUA21521.633115.96274.5631.0034.88ACATOM1590CDGLUA21521.744116.31473.0791.0038.61ACATOM1591OE1GLUA21521.873117.51972.7631.0040.88AOATOM1592OE2GLUA21521.709115.39372.2281.0039.22AOATOM1593CGLUA21521.689116.74277.4801.0029.70ACATOM1594OGLUA21522.495115.86177.7651.0030.75AOATOM1595NLYSA21621.891118.02377.7751.0027.92ANATOM1596CALYSA21623.081118.44678.5081.0027.16ACATOM1597CBLYSA21623.142119.97478.6071.0029.06ACATOM1598CGLYSA21624.283120.59677.8201.0029.49ACATOM1599CDLYSA21624.393122.09278.0811.0029.95ACATOM1600CELYSA21623.254122.86077.4251.0033.41ACATOM1601NZLYSA21623.352122.83775.9361.0032.43ANATOM1602CLYSA21622.982117.85479.9121.0028.86ACATOM1603OLYSA21623.991117.51680.5411.0028.11AOATOM1604NGLYA21721.748117.73280.3931.0027.55ANATOM1605CAGLYA21721.519117.17981.7141.0029.42ACATOM1606CGLYA21721.948115.72981.8031.0029.42ACATOM1607OGLYA21722.536115.30182.7941.0028.79AOATOM1608NALAA21821.657114.96180.7641.0028.40ANATOM1609CAALAA21822.037113.55780.7631.0028.80ACATOM1610CBALAA21821.437112.85079.5491.0026.40ACATOM1611CALAA21823.557113.46780.7351.0028.12ACATOM1612OALAA21824.152112.61881.3971.0029.94AOATOM1613NALAA21924.177114.35679.9711.0026.15ANATOM1614CAALAA21925.626114.37679.8551.0027.24ACATOM1615CBALAA21926.059115.53678.9501.0028.52ACATOM1616CALAA21926.244114.52781.2381.0026.66ACATOM1617OALAA21926.948113.63681.7221.0024.78AOATOM1618NLYSA22025.966115.66781.8591.0027.28ANATOM1619CALYSA22026.466115.98083.1891.0029.86ACATOM1620CBLYSA22025.784117.25383.7011.0030.55ACATOM1621CGLYSA22026.375117.82784.9711.0032.34ACATOM1622CDLYSA22026.857119.26384.7601.0035.00ACATOM1623CELYSA22027.994119.31183.7381.0036.11ACATOM1624NZLYSA22028.667120.64283.6661.0035.23ANATOM1625CLYSA22026.190114.81284.1361.0030.03ACATOM1626OLYSA22027.020114.48184.9871.0029.70AOATOM1627NARGA22125.027114.18483.9681.0030.12ANATOM1628CAARGA22124.616113.05584.8001.0030.72ACATOM1629CBARGA22123.258112.52684.3381.0032.37ACATOM1630CGARGA22122.339112.07285.4621.0031.69ACATOM1631CDARGA22121.534110.83185.0851.0032.65ACATOM1632NEARGA22120.881110.90083.7741.0032.33ANATOM1633CZARGA22119.571111.04483.5801.0029.17ACATOM1634NH1ARGA22118.739111.15384.6101.0028.36ANATOM1635NH2ARGA22119.084111.03082.3481.0030.01ANATOM1636CARGA22125.642111.93484.6961.0030.44ACATOM1637OARGA22126.089111.38385.6981.0032.26AOATOM1638NTHRA22226.006111.59883.4681.0028.92ANATOM1639CATHRA22226.976110.54783.2171.0029.35ACATOM1640CBTHRA22227.051110.23281.7171.0030.01ACATOM1641OG1THRA22225.762109.82181.2491.0028.86AOATOM1642CG2THRA22228.061109.12881.4571.0031.28ACATOM1643CTHRA22228.381110.91183.7121.0030.02ACATOM1644OTHRA22229.111110.05084.2051.0029.31AOATOM1645NTHRA22328.765112.17983.5661.0029.42ANATOM1646CATHRA22330.083112.62084.0141.0027.38ACATOM1647CBTHRA22330.305114.12083.7081.0027.25ACATOM1648OG1THRA22330.682114.27182.3351.0026.60AOATOM1649CG2THRA22331.388114.70784.6131.0023.64ACATOM1650CTHRA22330.268112.38085.5131.0028.17ACATOM1651OTHRA22331.259111.77285.9331.0025.99AOATOM1652NALAA22429.307112.84586.3091.0028.70ANATOM1653CAALAA22429.358112.69587.7611.0030.60ACATOM1654CBALAA22428.086113.26688.3941.0031.95ACATOM1655CALAA22429.537111.24988.1961.0031.70ACATOM1656OALAA22430.357110.95389.0691.0032.44AOATOM1657NALAA22528.765110.35687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8586.6271.0015.79ACATOM1765CGPHEA23912.272117.27185.4951.0015.79ACATOM1766CD1PHEA23910.932117.42285.1851.0017.37ACATOM1767CD2PHEA23913.205117.96984.7561.0014.09ACATOM1768CE1PHEA23910.538118.24984.1571.0018.65ACATOM1769CE2PHEA23912.811118.79983.7271.0015.93ACATOM1770CZPHEA23911.479118.93883.4271.0017.94ACATOM1771CPHEA23911.747118.02088.2911.0014.16ACATOM1772OPHEA23910.709117.52588.7061.0014.72AOATOM1773NSERA24011.908119.33288.1421.0013.96ANATOM1774CASERA24010.833120.27588.4561.0014.01ACATOM1775CBSERA24011.152121.08689.7101.0011.50ACATOM1776OGSERA24011.035120.29190.8751.0017.82AOATOM1777CSERA24010.557121.25487.3461.0015.41ACATOM1778OSERA24011.477121.73386.6791.0015.50AOATOM1779NVALA2419.281121.55687.1511.0015.51ANATOM1780CAVALA2418.882122.52086.1411.0016.16ACATOM1781CBVALA2418.306121.83784.8541.0018.46ACATOM1782CG1VALA2417.094120.97585.1911.0013.75ACATOM1783CG2VALA2417.944122.91783.8111.0015.59ACATOM1784CVALA2417.838123.41686.7871.0017.11ACATOM1785OVALA2416.861122.94387.3761.0015.68AOATOM1786NTHRA2428.069124.71986.7111.0018.24ANATOM1787CATHRA2427.155125.67787.3041.0016.90ACATOM1788CBTHRA2427.899126.60588.2611.0016.43ACATOM1789OG1THRA2428.643125.82289.2031.0018.82AOATOM1790CG2THRA2426.920127.48589.0101.0014.69ACATOM1791CTHRA2426.541126.49886.1911.0019.46ACATOM1792OTHRA2427.209126.80985.2151.0021.09AOATOM1793NILEA2435.263126.83086.3111.0021.17ANATOM1794CAILEA2434.631127.63585.2761.0023.58ACATOM1795CBILEA2433.504126.87484.5271.0023.68ACATOM1796CG2ILEA2432.917127.76783.4571.0022.82ACATOM1797CG1ILEA2434.039125.60083.8761.0022.88ACATOM1798CD1ILEA2434.382124.51584.8541.0025.25ACATOM1799CILEA2434.009128.91085.8461.0024.77ACATOM1800OILEA2433.166128.83986.7421.0026.46AOATOM1801NHISA2444.441130.06885.3391.0021.90ANATOM1802CAHISA2443.870131.35085.7521.0020.71ACATOM1803CBHISA2444.941132.45185.7961.0018.58ACATOM1804CGHISA2445.689132.51287.0971.0022.27ACATOM1805CD2HISA2445.629133.40288.1161.0021.19ACATOM1806ND1HISA2446.592131.54587.4891.0019.71ANATOM1807CE1HISA2447.053131.83688.6901.0020.45ACATOM1808NE2HISA2446.484132.95889.0941.0022.26ANATOM1809CHISA2442.823131.65284.6861.0020.47ACATOM1810OHISA2443.152131.77983.5031.0018.52AOATOM1811NMETA2451.562131.73685.1011.0020.37ANATOM1812CAMETA2450.466131.97184.1641.0021.36ACATOM1813CBMETA245−0.408130.72484.0561.0021.01ACATOM1814CGMETA2450.354129.42183.9021.0020.47ACATOM1815SDMETA245−0.750128.02284.0081.0020.90ASATOM1816CEMETA245−1.016127.91585.7941.0018.88ACATOM1817CMETA245−0.438133.13584.5251.0023.52ACATOM1818OMETA245−0.691133.41585.7011.0023.49AOATOM1819NLYSA246−0.943133.79883.4941.0025.78ANATOM1820CALYSA246−1.846134.92283.6741.0028.15ACATOM1821CBLYSA246−1.074136.23783.6171.0028.85ACATOM1822CGLYSA246−1.935137.44383.9101.0034.09ACATOM1823CDLYSA246−1.122138.72384.0531.0036.39ACATOM1824CELYSA246−2.028139.89684.4241.0039.16ACATOM1825NZLYSA246−1.284141.16784.6531.0042.33ANATOM1826CLYSA246−2.878134.87582.5611.0028.82ACATOM1827OLYSA246−2.519134.91381.3921.0029.37AOATOM1828NGLUA247−4.153134.76082.9171.0030.75ANATOM1829CAGLUA247−5.205134.71781.9071.0034.53ACATOM1830CBGLUA247−5.917133.36481.9161.0036.13ACATOM1831CGGLUA247−6.111132.75083.2711.0042.21ACATOM1832CDGLUA247−6.843131.42383.1901.0046.41ACATOM1833OE1GLUA247−6.857130.67984.1991.0048.67AOATOM1834OE2GLUA247−7.410131.12682.1151.0046.87AOATOM1835CGLUA247−6.227135.84682.0191.0034.64ACATOM1836OGLUA247−6.791136.10283.0921.0035.01AOATOM1837NTHRA248−6.456136.51080.8871.0032.54ANATOM1838CATHRA248−7.376137.63080.8141.0031.54ACATOM1839CBTHRA248−6.650138.90180.3181.0029.94ACATOM1840OG1THRA248−5.604139.23981.2311.0034.62AOATOM1841CG2THRA248−7.610140.06480.2251.0029.47ACATOM1842CTHRA248−8.561137.36179.8901.0029.77ACATOM1843OTHRA248−8.403136.87678.7731.0027.61AOATOM1844NTHRA249−9.752137.68980.3751.0030.47ANATOM1845CATHRA249−10.984137.53279.6121.0029.88ACATOM1846CBTHRA249−11.822136.35980.1441.0032.48ACATOM1847OG1THRA249−11.220135.11179.7561.0028.17AOATOM1848CG2THRA249−13.238136.44479.6081.0031.65ACATOM1849CTHRA249−11.790138.81579.7681.0028.83ACATOM1850OTHRA249−12.242139.11880.8661.0028.63AOATOM1851NILEA250−11.962139.56978.6821.0029.45ANATOM1852CAILEA250−12.704140.83378.7361.0028.63ACATOM1853CBILEA250−12.959141.39077.3251.0024.01ACATOM1854CG2ILEA250−13.851142.61377.4011.0022.31ACATOM1855CG1ILEA250−11.623141.74076.6661.0024.23ACATOM1856CD1ILEA250−11.732142.16475.2141.0021.04ACATOM1857CILEA250−14.036140.66379.4641.0030.12ACATOM1858OILEA250−14.771139.71279.2071.0029.47AOATOM1859NASPA251−14.343141.58880.3711.0033.65ANATOM1860CAASPA251−15.583141.51181.1431.0038.67ACATOM1861CBASPA251−16.822141.65580.2421.0040.02ACATOM1862CGASPA251−16.937143.02779.6111.0040.05ACATOM1863OD1ASPA251−16.547144.01880.2841.0035.35AOATOM1864OD2ASPA251−17.432143.10278.4541.0036.62AOATOM1865CASPA251−15.610140.13881.7981.0040.74ACATOM1866OASPA251−16.626139.43281.7651.0039.70AOATOM1867NGLYA252−14.475139.76282.3801.0042.03ANATOM1868CAGLYA252−14.355138.46983.0241.0041.14ACATOM1869CGLYA252−13.340138.55584.1351.0042.68ACATOM1870OGLYA252−12.788139.62984.3961.0043.97AOATOM1871NGLUA253−13.086137.43384.7941.0043.59ANATOM1872CAGLUA253−12.134137.41085.8951.0043.80ACATOM1873CBGLUA253−12.486136.26486.8541.0045.42ACATOM1874CGGLUA253−11.663136.19688.1441.0047.63ACATOM1875CDGLUA253−11.848137.40889.0441.0048.73ACATOM1876OE1GLUA253−11.637137.27390.2731.0046.79AOATOM1877OE2GLUA253−12.191138.49588.5251.0048.20AOATOM1878CGLUA253−10.720137.23685.3551.0042.32ACATOM1879OGLUA253−10.479136.38284.5001.0042.16AOATOM1880NGLUA254−9.798138.06985.8331.0040.24ANATOM1881CAGLUA254−8.401137.97885.4211.0037.96ACATOM1882CBGLUA254−7.723139.34585.5081.0039.14ACATOM1883CGGLUA254−6.290139.35685.0011.0042.21ACATOM1884CDGLUA254−5.605140.69885.1881.0042.84ACATOM1885OE1GLUA254−5.360141.09086.3531.0041.37AOATOM1886OE2GLUA254−5.314141.35984.1681.0042.71AOATOM1887CGLUA254−7.731137.00186.3881.0035.66ACATOM1888OGLUA254−7.862137.13787.6041.0034.06AOATOM1889NLEUA255−7.027136.01085.8551.0033.72ANATOM1890CALEUA255−6.375135.03086.7171.0032.37ACATOM1891CBLEUA255−6.935133.63486.4491.0033.03ACATOM1892CGLEUA255−8.315133.36087.0491.0035.25ACATOM1893CD1LEUA255−8.853132.04886.5291.0034.56ACATOM1894CD2LEUA255−8.208133.34088.5661.0033.73ACATOM1895CLEUA255−4.862134.97586.6491.0030.72ACATOM1896OLEUA255−4.271134.84085.5781.0030.27AOATOM1897NVALA256−4.242135.08587.8171.0028.80ANATOM1898CAVALA256−2.798135.01487.9231.0026.10ACATOM1899CBVALA256−2.218136.28688.5381.0024.57ACATOM1900CG1VALA256−0.767136.05388.9411.0024.95ACATOM1901CG2VALA256−2.301137.41087.5311.0025.62ACATOM1902CVALA256−2.467133.83388.8111.0024.50ACATOM1903OVALA256−2.852133.80289.9781.0025.95AOATOM1904NLYSA257−1.766132.85088.2571.0022.30ANATOM1905CALYSA257−1.414131.68089.0371.0019.36ACATOM1906CBLYSA257−2.491130.59988.8841.0020.07ACATOM1907CGLYSA257−3.139130.52387.5241.0020.37ACATOM1908CDLYSA257−4.296129.52787.5431.0020.61ACATOM1909CELYSA257−5.106129.53586.2471.0022.75ACATOM1910NZLYSA257−4.313129.23985.0121.0021.12ANATOM1911CLYSA257−0.057131.10088.7241.0016.79ACATOM1912OLYSA2570.501131.34587.6691.0016.48AOATOM1913NILEA2580.471130.34889.6791.0016.81ANATOM1914CAILEA2581.753129.69489.5401.0018.04ACATOM1915CBILEA2582.760130.20390.5891.0018.13ACATOM1916CG2ILEA2584.027129.37790.5231.0018.02ACATOM1917CG1ILEA2583.068131.68490.3431.0019.96ACATOM1918CD1ILEA2583.856132.34291.4411.0016.99ACATOM1919CILEA2581.537128.19589.7441.0019.48ACATOM1920OILEA2581.011127.77190.7761.0020.41AOATOM1921NGLYA2591.931127.40188.7511.0019.30ANATOM1922CAGLYA2591.779125.96188.8391.0020.91ACATOM1923CGLYA2593.133125.29188.9421.0021.01ACATOM1924OGLYA2594.148125.89988.6041.0022.90AOATOM1925NLYSA2603.164124.04689.4071.0021.18ANATOM1926CALYSA2604.434123.33989.5271.0021.85ACATOM1927CBLYSA2605.204123.87190.7411.0022.05ACATOM1928CGLYSA2606.561123.22990.9401.0023.53ACATOM1929CDLYSA2607.401124.05291.8971.0026.59ACATOM1930CELYSA2608.848123.58791.9091.0025.81ACATOM1931NZLYSA2609.701124.54692.6811.0031.32ANATOM1932CLYSA2604.298121.82089.6301.0018.84ACATOM1933OLYSA2603.479121.31690.3911.0020.04AOATOM1934NLEUA2615.109121.09888.8631.0016.74ANATOM1935CALEUA2615.090119.64188.9041.0016.51ACATOM1936CBLEUA2614.532119.06087.6031.0016.37ACATOM1937CGLEUA2614.377117.52887.6231.0019.84ACATOM1938CD1LEUA2613.491117.12588.7951.0016.92ACATOM1939CD2LEUA2613.770117.02586.3191.0018.98ACATOM1940CLEUA2616.475119.03989.1441.0015.87ACATOM1941OLEUA2617.435119.37088.4461.0013.76AOATOM1942NASNA2626.565118.15590.1371.0015.48ANATOM1943CAASNA2627.815117.47590.4501.0013.77ACATOM1944CBASNA2628.058117.43091.9601.0015.24ACATOM1945CGASNA2627.859118.77692.6261.0019.57ACATOM1946OD1ASNA2626.818119.02693.2351.0018.30AOATOM1947ND2ASNA2628.855119.65392.5111.0017.38ANATOM1948CASNA2627.723116.05089.9241.0011.89ACATOM1949OASNA2626.774115.32890.2081.0014.14AOATOM1950NLEUA2638.708115.65089.1451.009.74ANATOM1951CALEUA2638.731114.31488.5881.0013.15ACATOM1952CBLEUA2638.743114.41187.0661.0013.63ACATOM1953CGLEUA2637.520115.18586.5601.0013.69ACATOM1954CD1LEUA2637.543115.30885.0501.0014.90ACATOM1955CD2LEUA2636.258114.46486.9891.0013.22ACATOM1956CLEUA2639.973113.61189.1391.0015.26ACATOM1957OLEUA26311.106113.88188.7231.0015.88AOATOM1958NVALA2649.735112.70390.0791.0014.34ANATOM1959CAVALA26410.796111.99390.7741.0014.18ACATOM1960CBVALA26410.503112.02592.3011.0015.35ACATOM1961CG1VALA26411.718111.53993.0981.0015.90ACATOM1962CG2VALA26410.102113.43192.7121.0012.44ACATOM1963CVALA26411.096110.54590.3741.0012.44ACATOM1964OVALA26410.238109.67590.5031.0014.19AOATOM1965NASPA26512.326110.30689.9131.0010.90ANATOM1966CAASPA26512.812108.97089.5331.0013.92ACATOM1967CBASPA26513.710109.07388.2901.0016.81ACATOM1968CGASPA26514.022107.72487.6661.0018.55ACATOM1969OD1ASPA26514.153106.73388.4171.0023.49AOATOM1970OD2ASPA26514.155107.66086.4211.0018.09AOATOM1971CASPA26513.643108.52490.7551.0015.06ACATOM1972OASPA26514.777108.97290.9461.0015.27AOATOM1973NLEUA26613.077107.65691.5891.0014.01ANATOM1974CALEUA26613.758107.22692.8071.0012.91ACATOM1975CBLEUA26612.738106.69393.8191.009.20ACATOM1976CGLEUA26611.638107.64694.3011.0011.27ACATOM1977CD1LEUA26610.557106.84994.9961.009.83ACATOM1978CD2LEUA26612.208108.70595.2321.0010.15ACATOM1979CLEUA26614.855106.19492.6301.0013.98ACATOM1980OLEUA26614.883105.44191.6581.0013.37AOATOM1981NALAA26715.772106.17693.5881.0015.98ANATOM1982CAALAA26716.856105.21093.5711.0017.01ACATOM1983CBALAA26717.780105.43894.7571.0017.18ACATOM1984CALAA26716.190103.84393.6741.0016.42ACATOM1985OALAA26715.180103.69794.3561.0015.23AOATOM1986NGLYA26816.747102.85092.9891.0017.27ANATOM1987CAGLYA26816.174101.52593.0241.0016.05ACATOM1988CGLYA26815.909101.08294.4431.0020.14ACATOM1989OGLYA26816.594101.49595.3801.0018.77AOATOM1990NSERA26914.901100.23894.6091.0024.02ANATOM1991CASERA26914.54699.72895.9241.0027.58ACATOM1992CBSERA26913.04899.40395.9371.0025.56ACATOM1993OGSERA26912.61798.98894.6521.0020.75AOATOM1994CSERA26915.40198.49496.2701.0030.90ACATOM1995OSERA26915.02697.36795.9591.0031.03AOATOM1996NGLUA27016.56598.72296.8861.0037.21ANATOM1997CAGLUA27017.49097.64097.2731.0041.67ACATOM1998CBGLUA27018.35697.21396.0741.0042.09ACATOM1999CGGLUA27017.60496.76794.8181.0037.67ACATOM2000CDGLUA27017.83897.70193.6341.0038.24ACATOM2001OE1GLUA27016.84698.25393.1171.0039.37AOATOM2002OE2GLUA27019.00497.88693.2151.0033.91AOATOM2003CGLUA27018.42498.04998.4311.0045.77ACATOM2004OGLUA27018.38099.19298.8991.0045.98AOATOM2005NARGA28119.26597.10498.8731.0049.43ANATOM2006CAARGA28120.25197.28499.9661.0052.26ACATOM2007CBARGA28121.41398.17399.4921.0052.62ACATOM2008CGARGA28122.60898.256100.4641.0053.59ACATOM2009CDARGA28123.49496.996100.4581.0052.55ACATOM2010NEARGA28124.70697.158101.2731.0050.60ANATOM2011CZARGA28124.73997.109102.6061.0050.83ACATOM2012NH1ARGA28123.62796.893103.3001.0049.19ANATOM2013NH2ARGA28125.88797.290103.2541.0047.03ANATOM2014CARGA28119.69197.826101.2991.0053.26ACATOM2015OARGA28118.50798.167101.3831.0052.74AOATOM2016NALAA28220.53897.908102.3341.0055.03ANATOM2017CAALAA28220.08198.390103.6461.0055.45ACATOM2018CBALAA28219.30897.261104.3431.0055.34ACATOM2019CALAA28221.06699.031104.6661.0055.95ACATOM2020OALAA28220.60199.625105.6491.0056.31AOATOM2021NARGA28322.38898.931104.4711.0054.87ANATOM2022CAARGA28323.33599.516105.4481.0053.34ACATOM2023CBARGA28324.53598.582105.6751.0054.32ACATOM2024CGARGA28325.23098.757107.0421.0053.78ACATOM2025CDARGA28325.762100.180107.2721.0056.35ACATOM2026NEARGA28324.703101.165107.5181.0057.31ANATOM2027CZARGA28324.905102.478107.6421.0057.79ACATOM2028NH1ARGA28326.130102.981107.5431.0057.84ANATOM2029NH2ARGA28323.881103.295107.8641.0056.89ANATOM2030CARGA28323.839100.938105.1371.0050.69ACATOM2031OARGA28323.107101.897105.3521.0050.33AOATOM2032NGLUA28425.084101.091104.6771.0048.43ANATOM2033CAGLUA28425.586102.433104.3671.0046.98ACATOM2034CBGLUA28427.001102.390103.7861.0047.64ACATOM2035CGGLUA28427.682103.770103.7021.0048.53ACATOM2036CDGLUA28427.322104.570102.4461.0048.59ACATOM2037OE1GLUA28426.120104.740102.1531.0048.86AOATOM2038OE2GLUA28428.249105.045101.7521.0046.24AOATOM2039CGLUA28424.616102.981103.3391.0047.59ACATOM2040OGLUA28424.297104.176103.3241.0046.98AOATOM2041NALAA28524.151102.085102.4691.0046.09ANATOM2042CAALAA28523.165102.438101.4601.0040.81ACATOM2043CBALAA28523.035101.323100.4331.0042.35ACATOM2044CALAA28521.895102.565102.2921.0036.94ACATOM2045OALAA28520.779102.424101.8001.0034.30AOATOM2046NGLYA28622.115102.812103.5831.0035.53ANATOM2047CAGLYA28621.039102.986104.5381.0033.89ACATOM2048CGLYA28620.465104.369104.3551.0033.21ACATOM2049OGLYA28619.421104.703104.9181.0034.48AOATOM2050NASNA28721.168105.180103.5681.0030.99ANATOM2051CAASNA28720.719106.524103.2621.0029.41ACATOM2052CBASNA28721.908107.389102.8411.0031.73ACATOM2053CGASNA28722.924107.552103.9571.0036.29ACATOM2054OD1ASNA28723.911108.274103.8201.0037.00A0ATOM2055ND2ASNA28722.686106.871105.0751.0038.51ANATOM2056CASNA28719.680106.400102.1381.0027.62ACATOM2057OASNA28718.757107.220102.0211.0024.70AOATOM2058NILEA28819.830105.364101.3181.0024.42ANATOM2059CAILEA28818.870105.120100.2541.0024.40ACATOM2060CBILEA28819.421104.16599.1811.0023.82ACATOM2061CG2ILEA28818.329103.84398.1741.0024.22ACATOM2062CG1ILEA28820.604104.80598.4511.0022.05ACATOM2063CD1ILEA28821.236103.90297.3921.0019.49ACATOM2064CILEA28817.650104.470100.9101.0024.04ACATOM2065OILEA28816.525104.935100.7451.0024.34AOATOM2066NASNA28917.890103.407101.6751.0024.06ANATOM2067CAASNA28916.834102.680102.3771.0026.62ACATOM2068CBASNA28917.433101.466103.1001.0026.94ACATOM2069CGASNA28916.454100.809104.0791.0028.88ACATOM2070OD1ASNA28915.406100.306103.6851.0030.75AOATOM2071ND2ASNA28916.806100.811105.3611.0030.67ANATOM2072CASNA28916.077103.551103.3841.0028.71ACATOM2073OASNA28914.850103.452103.5131.0028.33AOATOM2074NGLNA29016.808104.402104.0941.0030.82ANATOM2075CAGLNA29016.198105.265105.0951.0031.98ACATOM2076CBGLNA29017.276105.877105.9931.0037.48ACATOM2077CGGLNA29016.805106.239107.4081.0044.03ACATOM2078CDGLNA29016.024107.539107.4751.0046.39ACATOM2079OE1GLNA29015.644107.989108.5581.0045.52AOATOM2080NE2GLNA29015.783108.153106.3161.0050.34ANATOM2081CGLNA29015.375106.363104.4391.0029.92ACATOM2082OGLNA29014.275106.662104.8991.0029.08AOATOM2083NSERA29115.904106.956103.3671.0026.49ANATOM2084CASERA29115.183108.013102.6611.0024.85ACATOM2085CBSERA29116.071108.699101.6041.0025.47ACATOM2086OGSERA29116.548107.800100.6151.0029.15AOATOM2087CSERA29113.913107.461102.0221.0022.60ACATOM2088OSERA29112.857108.076102.1291.0023.20AOATOM2089NLEUA29214.000106.299101.3751.0022.23ANATOM2090CALEUA29212.808105.696100.7731.0023.08ACATOM2091CBLEUA29213.164104.44099.9741.0020.29ACATOM2092CGLEUA29213.898104.64198.6391.0019.85ACATOM2093CD1LEUA29214.277103.28598.0491.0017.14ACATOM2094CD2LEUA29213.017105.41797.6761.0015.17ACATOM2095CLEUA29211.805105.335101.8761.0023.69ACATOM2096OLEUA29210.596105.484101.6971.0021.99AOATOM2097NLEUA29312.312104.866103.0151.0023.39ANATOM2098CALEUA29311.454104.513104.1431.0023.23ACATOM2099CBLEUA29312.261103.867105.2701.0025.74ACATOM2100CGLEUA29312.255102.345105.4461.0028.66ACATOM2101CD1LEUA29310.944101.770104.9081.0027.54ACATOM2102CD2LEUA29313.439101.738104.7401.0024.58ACATOM2103CLEUA29310.755105.756104.6931.0023.54ACATOM2104OLEUA2939.566105.714105.0151.0023.12AOATOM2105NTHRA29411.493106.858104.8231.0021.46ANATOM2106CATHRA29410.891108.096105.3201.0022.48ACATOM2107CBTHRA29411.907109.265105.3341.0019.41ACATOM2108OG1THRA29412.996108.942106.2051.0017.00AOATOM2109CG2THRA29411.246110.539105.8311.0017.41ACATOM2110CTHRA2949.733108.455104.3791.0022.53ACATOM2111OTHRA2948.586108.600104.7961.0021.39AOATOM2112NLEUA29510.054108.582103.0991.0020.92ANATOM2113CALEUA2959.059108.895102.0891.0018.95ACATOM2114CBLEUA2959.609108.594100.6961.0018.65ACATOM2115CGLEUA2958.604108.85499.5771.0019.48ACATOM2116CD1LEUA2958.233110.33099.5811.0021.00ACATOM2117CD2LEUA2959.188108.45798.2331.0016.04ACATOM2118CLEUA2957.793108.079102.3141.0020.21ACATOM2119OLEUA2956.689108.628102.3671.0022.51AOATOM2120NGLYA2967.959106.768102.4491.0017.15ANATOM2121CAGLYA2966.823105.900102.6541.0016.20ACATOM2122CGLYA2966.019106.289103.8701.0018.28ACATOM2123OGLYA2964.795106.260103.8531.0019.82AOATOM2124NARGA2976.704106.656104.9391.0019.06ANATOM2125CAARGA2976.015107.037106.1511.0021.37ACATOM2126CBARGA2977.014107.084107.3121.0021.67ACATOM2127CGARGA2977.389105.684107.8171.0023.94ACATOM2128CDARGA2978.781105.627108.4331.0023.49ACATOM2129NEARGA2978.994106.733109.3561.0029.09ANATOM2130CZARGA2978.226106.978110.4101.0031.22ACATOM2131NH1ARGA2977.196106.185110.6771.0032.38ANATOM2132NH2ARGA2978.474108.031111.1831.0034.15ANATOM2133CARGA2975.281108.370105.9731.0023.73ACATOM2134OARGA2974.204108.581106.5461.0023.97AOATOM2135NVALA2985.846109.261105.1641.0024.34ANATOM2136CAVALA2985.214110.554104.9261.0025.89ACATOM2137CBVALA2986.147111.518104.1731.0025.99ACATOM2138CG1VALA2985.418112.819103.9011.0022.68ACATOM2139CG2VALA2987.409111.776104.9881.0025.99ACATOM2140CVALA2983.934110.390104.1041.0025.86ACATOM2141OVALA2982.926111.060104.3621.0025.23AOATOM2142NILEA2993.979109.496103.1181.0025.01ANATOM2143CAILEA2992.828109.240102.2631.0025.07ACATOM2144CBILEA2993.198108.355101.0601.0025.46ACATOM2145CG2ILEA2991.956108.060100.2351.0023.42ACATOM2146CG1ILEA2994.234109.061100.1881.0024.53ACATOM2147CD1ILEA2993.776110.40899.6961.0026.78ACATOM2148CILEA2991.705108.553103.0291.0025.91ACATOM2149OILEA2990.540108.894102.8591.0025.57AOATOM2150NTHRA3002.060107.583103.8661.0028.05ANATOM2151CATHRA3001.074106.863104.6651.0029.44ACATOM2152CBTHRA3001.729105.740105.4921.0029.48ACATOM2153OG1THRA3002.480104.872104.6301.0029.73AOATOM2154CG2THRA3000.660104.938106.2121.0028.92ACATOM2155CTHRA3000.386107.840105.6191.0030.05ACATOM2156OTHRA300−0.836107.838105.7491.0028.54AOATOM2157NALAA3011.181108.679106.2771.0030.13ANATOM2158CAALAA3010.649109.673107.2041.0029.43ACATOM2159CBALAA3011.784110.501107.7971.0029.37ACATOM2160CALAA301−0.350110.590106.5121.0028.95ACATOM2161OALAA301−1.332111.001107.1151.0027.60AOATOM2162NLEUA302−0.096110.923105.2501.0030.01ANATOM2163CALEUA302−1.008111.798104.5091.0029.64ACATOM2164CBLEUA302−0.351112.315103.2281.0027.90ACATOM2165CGLEUA3020.938113.128103.3361.0028.21ACATOM2166CD1LEUA3021.424113.479101.9401.0025.97ACATOM2167CD2LEUA3020.706114.379104.1421.0026.07ACATOM2168CLEUA302−2.293111.063104.1411.0031.03ACATOM2169OLEUA302−3.342111.679103.9731.0030.51AOATOM2170NVALA303−2.208109.746104.0031.0032.07ANATOM2171CAVALA303−3.385108.960103.6661.0034.56ACATOM2172CBVALA303−3.008107.604103.0461.0032.84ACATOM2173CG1VALA303−4.212106.685103.0431.0030.78ACATOM2174CG2VALA303−2.510107.811101.6321.0033.37ACATOM2115CVALA303−4.220108.710104.9101.0036.11ACATOM2176OVALA303−5.430108.898104.8921.0034.14AOATOM2177NGLUA304−3.557108.290105.9851.0039.50ANATOM2178CAGLUA304−4.218107.998107.2561.0040.92ACATOM2179CBGLUA304−3.282107.195108.1751.0040.69ACATOM2180CGGLUA304−2.416106.154107.4761.0043.68ACATOM2181CDGLUA304−3.169104.894107.0901.0047.88ACATOM2182OE1GLUA304−4.253105.008106.4751.0048.09AOATOM2183OE2GLUA304−2.669103.784107.3921.0048.97AOATOM2184CGLUA304−4.569109.324107.9301.0041.19ACATOM2185OGLUA304−5.263109.358108.9441.0041.12AOATOM2186NARGA305−4.081110.415107.3561.0041.75ANATOM2187CAARGA305−4.320111.745107.9051.0043.87ACATOM2188CBARGA305−5.818112.054107.9421.0044.73ACATOM2189CGARGA305−6.520111.852106.6221.0047.77ACATOM2190CDARGA305−7.947112.373106.6591.0051.10ACATOM2191NEARGA305−8.708111.932105.4911.0053.86ANATOM2192CZARGA305−9.944112.329105.2021.0053.16ACATOM2193NH1ARGA305−10.575113.186105.9981.0050.24ANATOM2194NH2ARGA305−10.546111.868104.1111.0051.96ANATOM2195CARGA305−3.732111.898109.3111.0043.55ACATOM2196OARGA305−4.339112.522110.1841.0043.87AOATOM2197NTHRA306−2.558111.315109.5331.0042.57ANATOM2198CATHRA306−1.894111.426110.8241.0040.98ACATOM2199CBTHRA306−0.609110.577110.8631.0042.49ACATOM2200OG1THRA306−0.936109.199110.6341.0045.16AOATOM2201CG2THRA3060.086110.717112.2151.0042.39ACATOM2202CTHRA306−1.529112.903110.9621.0040.47ACATOM2203OTHRA306−1.006113.513110.0211.0039.21AOATOM2204NPROA307−1.816113.508112.1271.0039.70ANATOM2205CDPROA307−2.465112.946113.3241.0038.02ACATOM2206CAPROA307−1.494114.926112.3251.0036.42ACATOM2207CBPROA307−2.081115.225113.7071.0033.83ACATOM2208CGPROA307−2.033113.918114.3961.0036.00ACATOM2209CPROA3070.003115.219112.2221.0034.10ACATOM2210OPROA3070.416116.349111.9641.0033.44AOATOM2211NHISA3080.810114.185112.4131.0033.11ANATOM2212CAHISA3082.257114.327112.3281.0033.49ACATOM2213CBHISA3082.915113.820113.6111.0031.56ACATOM2214CGHISA3084.380113.549113.4701.0030.69ACATOM2215CD2HISA3085.457114.354113.6391.0029.53ACATOM2216ND1HISA3084.875112.318113.0911.0029.45ANATOM2217CE1HISA3086.195112.378113.0361.0028.82ACATOM2218NE2HISA3086.573113.601113.3651.0025.66ANATOM2219CHISA3082.851113.593111.1191.0031.85ACATOM2220OHISA3082.812112.362111.0331.0029.92AOATOM2221NVALA3093.395114.377110.1911.0029.01ANATOM2222CAVALA3094.024113.867108.9821.0025.55ACATOM2223CBVALA3093.328114.457107.7221.0026.58ACATOM2224CG1VALA3091.901113.960107.6441.0027.82ACATOM2225CG2VALA3093.291115.951107.7971.0023.68ACATOM2226CVALA3095.507114.257109.0271.0021.21ACATOM2227OVALA3095.865115.430108.9951.0018.92AOATOM2228NPROA3106.384113.257109.1201.0019.50ANATOM2229CDPROA3105.910111.864109.1781.0018.98ACATOM2230CAPROA3107.853113.310109.1921.0020.04ACATOM2231CSPROA3108.221111.858109.4861.0020.21ACATOM2232CGPROA3107.138111.100108.7661.0018.39ACATOM2233CPROA3108.700113.885108.0341.0020.35ACATOM2234OPROA3109.741113.326107.7001.0017.58AOATOM2235NTYRA3118.298115.009107.4541.0021.00ANATOM2236CATYRA3119.061115.588106.3531.0024.03ACATOM2237CBTYRA3118.459116.926105.9261.0023.91ACATOM2238CGTYRA3117.030116.861105.4741.0021.57ACATOM2239CD1TYRA3116.013117.307106.2951.0018.21ACATOM2240CE1TYRA3114.712117.298105.8791.0021.21ACATOM2241CD2TYRA3116.699116.389104.2091.0021.84ACATOM2242CE2TYRA3115.387116.370103.7811.0022.50ACATOM2243CZTYRA3114.398116.832104.6251.0021.08ACATOM2244OHTYRA3113.089116.841104.2221.0021.48AOATOM2245CTYRA31110.542115.821106.6541.0026.06ACATOM2246OTYRA31111.405115.548105.8151.0027.37AOATOM2247NARGA31210.820116.349107.8451.0028.01ANATOM2248CAARGA31212.181116.674108.2871.0026.29ACATOM2249CBARGA31212.137117.314109.6821.0027.90ACATOM2250CGARGA31212.177118.837109.7041.0030.12ACATOM2251CDARGA31213.395119.359108.9581.0034.76ACATOM2252NEARGA31213.668120.772109.2161.0038.62ANATOM2253CZARGA31212.743121.728109.2501.0039.68ACATOM2254NH1ARGA31211.462121.430109.0531.0039.68ANATOM2255NH2ARGA31213.106122.991109.4531.0037.13ANATOM2256CARGA31213.185115.525108.3201.0024.62ACATOM2257OARGA31214.395115.750108.2471.0022.44AOATOM2258NGLUA31312.696114.297108.4221.0023.10ANATOM2259CAGLUA31313.594113.156108.5151.0023.22ACATOM2260CBGLUA31312.809111.913108.9551.0025.98ACATOM2261CGGLUA31312.313111.976110.3951.0029.78ACATOM2262CDGLUA31311.504110.747110.7961.0033.60ACATOM2263OE1GLUA31312.029109.623110.6751.0035.73AOATOM2264OE2GLUA31310.344110.899111.2351.0036.47AOATOM2265CGLUA31314.473112.824107.3061.0020.57ACATOM2266OGLUA31315.378112.004107.4171.0022.05AOATOM2267NSERA31414.230113.433106.1531.0018.44ANATOM2268CASERA31415.087113.158104.9971.0017.77ACATOM2269CBSERA31414.591111.933104.2001.0015.35ACATOM2270OGSERA31413.661112.282103.1861.0017.77AOATOM2271CSERA31415.163114.368104.0861.0016.09ACATOM2272OSERA31414.306115.238104.1361.0016.39AOATOM2273NLYSA31516.199114.421103.2621.0017.91ANATOM2274CALYSA31516.382115.527102.3321.0018.85ACATOM2275CBLYSA31517.712115.387101.6041.0018.36ACATOM2276CGLYSA31518.867115.143102.5301.0020.17ACATOM2277CDLYSA31519.260116.411103.2431.0021.74ACATOM2278CELYSA31519.868117.383102.2571.0023.54ACATOM2279NZLYSA31521.054116.769101.6061.0021.59ANATOM2280CLYSA31515.265115.486101.3131.0019.31ACATOM2281OLYSA31514.637116.504101.0301.0022.38AOATOM2282NLEUA31615.034114.296100.7641.0017.67ANATOM2283CALEUA31614.000114.08599.7621.0017.31ACATOM2284CBLEUA31613.896112.59599.4321.0015.58ACATOM2285CGLEUA31612.774112.19498.4771.0013.65ACATOM2286CD1LEUA31612.950112.84897.1501.0016.57ACATOM2287CD2LEUA31612.763110.69498.3161.0020.85ACATOM2288CLEUA31612.632114.618100.1781.0018.49ACATOM2289OLEUA31612.038115.41499.4641.0018.39AOATOM2290NTHRA31712.134114.188101.3361.0020.98ANATOM2291CATHRA31710.823114.639101.8041.0021.96ACATOM2292CBTHRA31710.306113.773102.9711.0023.27ACATOM2293OG1THRA31711.338113.608103.9561.0016.25AOATOM2294CG2THRA3179.850112.424102.4481.0021.46ACATOM2295CTHRA31710.765116.092102.2381.0022.24ACATOM2296OTHRA3179.729116.728102.1331.0025.01AOATOM2297NARGA31811.874116.615102.7361.0024.90ANATOM2298CAARGA31811.920118.000103.1771.0025.69ACATOM2299CBARGA31813.197118.227103.9931.0026.64ACATOM2300CGARGA31813.667119.667104.0861.0033.10ACATOM2301CDARGA31813.050120.445105.2551.0037.25ACATOM2302NEARGA31813.831121.655105.5131.0039.52ANATOM2303CZARGA31815.136121.647105.7831.0039.40ACATOM2304NH1ARGA31815.797120.497105.8411.0037.12ANATOM2305NH2ARGA31815.790122.787105.9671.0040.07ANATOM2306CARGA31811.892118.893101.9431.0024.83ACATOM2307OARGA31811.359120.005101.9671.0026.37AOATOM2308NILEA31912.461118.387100.8571.0022.88ANATOM2309CAILEA31912.512119.12299.6011.0021.25ACATOM2310CBILEA31913.609118.54598.6791.0017.21ACATOM2311CG2ILEA31913.554119.20497.3311.0014.91ACATOM2312CG1ILEA31914.976118.74199.3231.0015.46ACATOM2313CD1ILEA31916.137118.25798.4901.0012.72ACATOM2314CILEA31911.172119.09798.8591.0020.97ACATOM2315OILEA31910.809120.06198.1871.0019.08AOATOM2316NLEUA32010.433117.99998.9881.0021.43ANATOM2317CALEUA3209.145117.87998.3051.0021.89ACATOM2318CBLEUA3209.003116.47597.7161.0018.57ACATOM2319CGLEUA32010.048116.09196.6741.0017.04ACATOM2320CD1LEUA3209.806114.65396.2621.0021.97ACATOM2321CD2LEUA3209.956117.01195.4501.0017.89ACATOM2322CLEUA3207.945118.18799.1991.0022.03ACATOM2323OLEUA3206.787118.02598.7841.0020.52AOATOM2324NGLNA3218.233118.649100.4121.0022.32ANATOM2325CAGLNA3217.203118.974101.3921.0023.68ACATOM2326CBGLNA3217.852119.399102.7051.0022.86ACATOM2327CGGLNA3216.853119.793103.7751.0027.39ACATOM2328CDGLNA3217.511120.294105.0501.0028.62ACATOM2329OE1GLNA3216.836120.569106.0381.0032.79AOATOM2330NE2GLNA3218.832120.420105.0311.0028.69ANATOM2331CGLNA3216.229120.063100.9381.0025.41ACATOM2332OGLNA3215.019119.965101.1621.0024.42AOATOM2333NASPA3226.747121.102100.2971.0028.40ANATOM2334CAASPA3225.870122.17499.8671.0028.69ACATOM2335CBASPA3226.616123.20799.0441.0031.53ACATOM2336CGASPA3225.880124.52098.9871.0033.80ACATOM2337OD1ASPA3224.632124.50699.0271.0034.46AOATOM2338OD2ASPA3226.544125.56898.9001.0038.65AOATOM2339CASPA3224.727121.62099.0471.0028.09ACATOM2340OASPA3223.574121.99299.2481.0027.83AOATOM2341NSERA3235.055120.71898.1321.0029.10ANATOM2342CASERA3234.056120.10497.2711.0028.53ACATOM2343CBSERA3234.725119.42296.0841.0028.77ACATOM2344OGSERA3233.876118.41995.5561.0036.72AOATOM2345CSERA3233.211119.08798.0081.0026.14ACATOM2346OSERA3231.992119.12897.9441.0030.11AOATOM2347NLEUA3243.864118.18198.7171.0025.18ANATOM2348CALEUA3243.161117.12999.4401.0026.64ACATOM2349CBLEUA3244.170116.142100.0371.0021.87ACATOM2350CGLEUA3245.016115.38399.0181.0020.05ACATOM2351CD1LEUA3246.101114.58399.7311.0016.27ACATOM2352CD2LEUA3244.104114.47998.1851.0014.62ACATOM2353CLEUA3242.244117.630100.5431.0026.89ACATOM2354OLEUA3241.123117.149100.6941.0024.05AOATOM2355NGLYA3252.730118.603101.3081.0030.50ANATOM2356CAGLYA3251.969119.142102.4211.0033.07ACATOM2357CGLNA3250.749119.988102.1241.0034.55ACATOM2358OGLYA325−0.145120.093102.9581.0034.47AOATOM2359NGLYA3260.705120.605100.9491.0036.32ANATOM2360CAGLYA326−0.437121.430100.6071.0037.56ACATOM2361CGLYA326−1.549120.598100.0091.0039.35ACATOM2362OGLYA326−1.399119.38899.8401.0041.28AOATOM2363NARGA327−2.677121.23499.7091.0041.06ANATOM2364CAARGA327−3.790120.51999.1061.0042.73ACATOM2365CBARGA327−5.103121.31499.2581.0046.65ACATOM2366CGARGA327−5.198122.65298.5261.0045.98ACATOM2367CDARGA327−5.513122.44497.0501.0051.51ACATOM2368NEARGA327−6.527121.41096.8391.0053.63ANATOM2369CZARGA327−6.852120.91095.6471.0054.18ACATOM2370NH1ARGA327−6.245121.35194.5511.0054.22ANATOM2371NH2ARGA327−7.772119.95495.5511.0052.47ANATOM2372CARGA327−3.395120.35497.6461.0041.37ACATOM2373OARGA327−3.318121.32596.8931.0039.81AOATOM2374NTHRA328−3.098119.12397.2551.0038.53ANATOM2375CATHRA328−2.681118.88295.8891.0037.66ACATOM2376CBTHRA328−1.180119.18595.7051.0039.08ACATOM2377OG1THRA328−0.406118.11096.2501.0039.80AOATOM2378CG2THRA328−0.802120.46996.4321.0041.76ACATOM2379CTHRA328−2.900117.43495.5241.0034.11ACATOM2380OTHRA328−3.533116.68596.2551.0033.80AOATOM2381NARGA329−2.370117.04994.3771.0030.76ANATOM2382CAARGA329−2.477115.68193.9371.0029.59ACATOM2383CBARGA329−3.132115.60292.5591.0029.94ACATOM2384CGARGA329−4.589116.03292.5581.0031.02ACATOM2385CDARGA329−5.326115.37291.4161.0034.76ACATOM2386NEARGA329−6.710115.81991.2851.0037.54ANATOM2387CZARGA329−7.635115.16790.5861.0039.36ACATOM2388NH1ARGA329−7.325114.03889.9611.0037.86ANATOM2389NH2ARGA329−8.869115.64590.5031.0040.91ANATOM2390CARGA329−1.082115.09493.9091.0027.34ACATOM2391OARGA329−0.135115.72693.4351.0024.25AOATOM2392NTHRA330−0.961113.89394.4551.0025.53ANATOM2393CATHRA3300.311113.20194.5131.0025.50ACATOM2394CBTHRA3300.872113.18895.9361.0022.47ACATOM2395OG1THRA3301.180114.52496.3431.0023.74AOATOM2396CG2THRA3302.121112.35995.9881.0026.51ACATOM2397CTHRA3300.115111.77194.0571.0026.09ACATOM2398OTHRA330−0.766111.06294.5511.0025.82AOATOM2399NSERA3310.936111.34593.1071.0026.48ANATOM2400CASERA3310.830109.99392.5901.0022.95ACATOM2401CBSERA3310.272110.04091.1701.0021.46ACATOM2402OGSERA3310.609108.85890.4621.0026.96AOATOM2403CSERA3312.149109.231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.12296.711101.7071.0026.66ACATOM2623CGLEUA360−9.90097.488102.9981.0030.63ACATOM2624CD1LEUA360−11.23797.879103.6071.0033.32ACATOM2625CD2LEUA360−9.07296.643103.9511.0030.58ACATOM2626CLEUA360−9.18495.85299.5831.0023.54ACATOM2627OLEUA360−9.54396.47798.5871.0021.41AOATOM2628NASNA361−9.05494.52999.5931.0023.09ANATOM2629CAASNA361−9.41793.75698.4151.0025.98ACATOM2630CBASNA361−8.78392.36098.4341.0020.78ACATOM2631CGASNA361−7.27992.40398.2181.0025.04ACATOM2632OD1ASNA361−6.73393.42797.8051.0025.79AOATOM2633ND2ASNA361−6.60291.29098.4871.0023.55ANATOM2634CASNA361−10.93993.63498.4501.0028.66ACATOM2635OASNA361−11.52293.40699.5101.0031.02AOATOM2636NLYSA362−11.58593.81697.3051.0029.94ANATOM2637CALYSA362−13.03593.70397.2501.0030.96ACATOM2638CBLYSA362−13.58794.52696.0921.0030.98ACATOM2639CGLYSA362−13.19295.98496.1341.0032.66ACATOM2640CDLYSA362−13.63096.65294.8541.0035.83ACATOM2641CELYSA362−13.12495.88193.6331.0036.12ACATOM2642NZLYSA362−11.63895.88493.5331.0033.66ANATOM2643CLYSA362−13.34892.23797.0381.0032.39ACATOM2644OLYSA362−12.54591.51396.4571.0034.80AOATOM2645NPROA363−14.50791.76597.5211.0034.04ANATOM2646CDPROA363−15.54592.40098.3551.0035.56ACATOM2647CAPROA363−14.80590.34797.3141.0034.66ACATOM2648CBPROA363−16.27090.24797.7241.0032.94ACATOM2649CGPROA363−16.33391.19498.8711.0032.97ACATOM2650CPROA363−14.54989.89395.8781.0036.06ACATOM2651OPROA363−14.65490.66994.9301.0035.20AOATOM2652NGLUA364−14.20388.62095.7471.0039.61ANATOM2653CAGLUA364−13.90787.98694.4701.0042.65ACATOM2654CBGLUA364−13.62186.50294.7051.0043.78ACATOM2655CGGLUA364−14.69885.81895.5411.0045.70ACATOM2656CDGLUA364−14.76686.35196.9671.0048.37ACATOM2657OE1GLUA364−15.82386.18397.6161.0051.54AOATOM2658OE2GLUA364−13.76386.92997.4451.0047.95AOATOM2659CGLUA364−15.00288.12793.4121.0044.24ACATOM2660OGLUA364−15.90688.96193.5311.0043.77AOATOM2661NVALA365−14.90187.27892.3881.0045.43ANATOM2662CAVALA365−15.81287.25791.2441.0045.75ACATOM2663CBVALA365−17.12588.04491.5131.0047.19ACATOM2664CG1VALA365−17.81888.36690.2031.0044.82ACATOM2665CG2VALA365−18.06087.21692.3911.0046.88ACATOM2666CVALA365−15.09687.87690.0471.0044.82ACATOM2667OXTVALA365−14.51088.96590.2341.0043.94AOATOM2668CGLYB1649.13973.72598.2551.0045.54BCATOM2669OGLYB1648.20974.26698.8611.0045.24BOATOM2670NGLYB1650.22572.06599.7511.0045.31BNATOM2671CAGLYB1650.41073.32798.9791.0046.04BCATOM2672NLYSB1749.09273.46496.9531.0044.72BNATOM2673CALYSB1747.90673.79796.1781.0043.40BCATOM2674CBLYSB1748.20273.73294.6771.0043.73BCATOM2675CGLYSB1749.17474.80794.2041.0044.76BCATOM2676CDLYSB1749.28374.88192.6771.0046.41BCATOM2677CELYSB1749.82273.58992.0591.0045.65BCATOM2678NZLYSB1748.88172.44492.1741.0039.85BNATOM2679CLYSB1746.75472.85996.5311.0042.78BCATOM2680OLYSB1746.05673.08097.5241.0044.01BOATOM2681NASNB1846.56971.80595.7401.0038.46BNATOM2682CAASNB1845.47770.86695.9831.0036.04BCATOM2683CBASNB1845.59770.22197.3661.0034.61BCATOM2684CGASNB1846.01768.76197.2931.0034.87BCATOM2685OD1ASNB1845.89968.01898.2741.0034.60BOATOM2686ND2ASNB1846.51568.34296.1291.0031.72BNATOM2687CASNB1844.15171.60795.8841.0033.96BCATOM2688OASNB1843.31171.28695.0491.0035.77BOATOM2689NILEB1943.96272.59096.7511.0030.25BNATOM2690CAILEB1942.75173.38996.7231.0031.08BCATOM2691CBILEB1942.28973.78198.1351.0032.10BCATOM2692CG2ILEB1940.89874.38198.0541.0032.73BCATOM2693CG1ILEB1942.30072.56499.0681.0031.96BCATOM2694CD1ILEB1941.34171.47598.6871.0035.66BCATOM2695CILEB1943.08174.67795.9571.0030.05BCATOM2696OILEB1944.02875.38796.2991.0028.62BOATOM2697NGLNB2042.31874.97994.9151.0028.61BNATOM2698CAGLNB2042.59576.18794.1601.0027.81BCATOM2699CBGLNB2043.37275.84792.8891.0029.10BCATOM2700CGGLNB2042.49575.48791.7171.0031.41BCATOM2701CDGLNB2043.27775.44390.4271.0034.34BCATOM2702OE1GLNB2042.70475.33089.3331.0032.64BOATOM2703NE2GLNB2044.60175.53290.5441.0034.95BNATOM2704CGLNB2041.33676.98293.8061.0025.85BCATOM2705OGLNB2040.27576.41893.5271.0024.40BOATOM2706NVALB2141.48178.30393.8121.0023.00BNATOM2707CAVALB2140.38379.20893.5161.0020.19BCATOM2708CBVALB2140.04280.05694.7561.0016.86BCATOM2709CG1VALB2138.89880.98094.4511.0015.56BCATOM2710CG2VALB2139.69479.14895.9181.0015.24BCATOM2711CVALB2140.72180.13692.3511.0020.21BCATOM2712OVALB2141.79780.73992.3111.0022.27BOATOM2713NVALB2239.79980.24191.4001.0017.52BNATOM2714CAVALB2240.00081.09790.2411.0015.51BCATOM2715CBVALB2240.28980.27588.9791.0014.57BCATOM2716CG1VALB2241.34179.23389.2701.009.73BCATOM2717CG2VALB2239.00479.63288.4751.0015.06BCATOM2718CVALB2238.74581.91489.9901.0014.82BCATOM2719OVALB2237.65181.54090.4031.0016.22BOATOM2720NVALB2338.91583.03389.3081.0013.78BNATOM2721CAVALB2337.80483.90888.9871.0014.50BCATOM2722CBVALB2338.00285.33689.5971.0015.33BCATOM2723CG1VALB2337.00986.33189.0021.0013.94BCATOM2724CG2VALB2337.82085.28091.0981.0015.34BCATOM2725CVALB2337.72784.00787.4721.0014.62BCATOM2726OVALB2338.74983.96586.7761.0015.16BOATOM2727NARGB2436.50684.09586.9681.0011.00BNATOM2728CAARGB2436.29084.22985.5421.0014.68BCATOM2729CBARGB2435.74382.93784.9311.0010.66BCATOM2730CGARGB2435.56283.03483.4161.009.90BCATOM2731CDARGB2434.83781.84082.8161.0010.82BCATOM2732NEARGB2434.96281.79781.3601.0011.63BNATOM2733CZARGB2434.39480.86880.5981.0012.56BCATOM2734NH1ARGB2433.66179.91881.1601.0012.98BNATOM2735NH2ARGB2434.57280.87479.2871.0012.38BNATOM2736CARGB2435.28685.34585.3211.0014.70BCATOM2737OARGB2434.13685.23085.7271.0014.99BOATOM2738NCYSB2535.72786.42484.6891.0015.32BNATOM2739CACYSB2534.85487.55484.4031.0017.45BCATOM2740CBCYSB2535.65888.85984.4261.0017.46BCATOM2741SGCYSB2534.67190.35384.1631.0022.87BSATOM2742CCYSB2534.24687.33083.0191.0018.91BCATOM2743OCYSB2534.93886.90982.0971.0017.81BOATOM2744NARGB2632.94887.57882.8771.0018.90BNATOM2745CAARGB2632.29687.40081.5871.0017.65BCATOM2746CBARGB2630.87386.86681.7581.0015.72BCATOM2747CGARGB2629.92187.80582.5191.0018.39BCATOM2748CDARGB2628.46387.41382.2801.0018.97BCATOM2749NEARGB2627.49688.18383.0631.0023.45BNATOM2750CZARGB2627.26589.48782.9271.0023.62BCATOM2751NH1ARGB2627.94290.19082.0291.0026.18BNATOM2752NH2ARGB2626.34790.09183.6741.0018.85BNATOM2753CARGB2632.23388.75080.9001.0018.53BCATOM2754OARGB2632.56489.77681.4931.0019.43BOATOM2755NPROB2731.86688.76779.6171.0018.76BNATOM2756CDPROB2732.06987.70278.6241.0017.49BCATOM2757CAPROB2731.79490.07778.9711.0019.70BCATOM2758CBPROB2731.97689.74877.4891.0018.44BCATOM2759CGPROB2731.54988.33577.3781.0017.05BCATOM2760CPROB2730.44890.72479.2911.0021.17BCATOM2761OPROB2729.57390.06479.8591.0018.12BOATOM2762NPHEB2830.30592.00978.9521.0021.04BNATOM2763CAPHEB2829.07692.77679.1881.0021.06BCATOM2764CBPHEB2829.22494.18578.6071.0023.05BCATOM2765CGPHEB2829.92895.15879.5061.0024.69BCATOM2766CD1PHEB2831.25294.97079.8581.0026.80BCATOM2767CD2PHEB2829.25896.26679.9981.0025.05BCATOM2768CE1PHEB2831.90795.86780.6901.0027.43BCATOM2769CE2PHEB2829.89997.17080.8311.0030.75BCATOM2770CZPHEB2831.23396.96881.1791.0030.68BCATOM2771CPHEB2827.83092.14878.5531.0021.07BCATOM2772OPHEB2827.93591.51177.5071.0021.35BOATOM2773NASNB2926.66092.32479.1721.0019.74BNATOM2774CAASNB2925.41991.80378.5831.0020.63BCATOM2775CBASNB2924.58390.99079.6001.0019.37BCATOM2776CGASNB2923.90591.85380.6471.0020.88BCATOM2777OD1ASNB2923.44592.95780.3581.0023.30BOATOM2778ND2ASNB2923.82191.34081.8771.0021.32BNATOM2779CASNB2924.60392.98878.0561.0021.50BCATOM2780OASNB2924.79694.12878.4951.0022.04BOATOM2781NLEUB3023.70192.72777.1151.0021.23BNATOM2782CALEUB3022.86793.77776.5321.0022.61BCATOM2783CBLEUB3021.78793.15575.6581.0025.40BCATOM2784CGLEUB3022.29592.53374.3551.0028.35BCATOM2785CD1LEUB3021.16091.77373.6761.0027.19BCATOM2786CD2LEUB3022.85593.63173.4441.0022.90BCATOM2787CLEUB3022.20694.73077.5271.0022.55BCATOM2788OLEUB3022.28695.94977.3671.0021.50BOATOM2789NALAB3121.53794.18278.5361.0023.21BNATOM2790CAALAB3120.87095.00679.5341.0022.80BCATOM2791CBALAB3120.24694.13480.6191.0018.20BCATOM2792CALAB3121.85195.98180.1621.0025.03BCATOM2793OALAB3121.50697.14280.4231.0025.66BOATOM2794NGLUB3223.07395.51680.4001.0025.52BNATOM2795CAGLUB3224.08996.35881.0291.0028.24BCATOM2796CBGLUB3225.34595.53081.3511.0028.44BCATOM2797CGGLUB3225.08794.39882.3531.0028.26BCATOM2798CDGLUB3226.30193.50682.5871.0030.85BCATOM2799OE1GLUB3226.85592.95781.6011.0027.87BOATOM2800OE2GLUB3226.69693.35183.7631.0030.58BOATOM2801CGLUB3224.42897.55880.1491.0027.81BCATOM2802OGLUB3224.67798.65080.6521.0027.90B0ATOM2803NARGB3324.44297.35878.8381.0028.16BNATOM2804CAARGB3324.69898.46977.9241.0030.97BCATOM2805CBARGB3324.87097.97576.4911.0028.54BCATOM2806CGARGB3325.94096.92676.2881.0028.22BCATOM2807CDARGB3327.34097.46576.5211.0025.16BCATOM2808NEARGB3328.34596.60275.8951.0023.79BNATOM2809CZARGB3329.66396.71976.0611.0021.88BCATOM2810NH1ARGB3330.16997.66676.8391.0024.68BNATOM2811NH2ARGB3330.48395.87975.4531.0019.99BNATOM2812CARGB3323.44799.35077.9721.0034.08BCATOM2813OARGB3323.528100.57778.0551.0033.32BOATOM2814NLYSB3422.29098.69277.9181.0037.50BNATOM2815CALYSB3420.99099.35777.9501.0040.38BCATOM2816CBLYSB3419.87098.31077.9551.0041.64BCATOM2817CGLYSB3418.51398.86177.5571.0043.99BCATOM2818CDLYSB3418.55499.40576.1441.0045.47BCATOM2819CELYSB3418.79898.29675.1191.0049.66BCATOM2820NZLYSB3420.02997.48475.3691.0051.80BNATOM2821CLYSB3420.833100.27379.1681.0041.63BCATOM2822OLYSB3419.988101.17679.1711.0041.88BOATOM2823NALAB3521.636100.03780.2021.0040.00BNATOM2824CAALAB3521.575100.85881.4061.0039.62BCATOM2825CBALAB3521.45499.97582.6521.0038.27BCATOM2826CALAB3522.837101.71081.4791.0040.56BCATOM2827OALAB3523.061102.43382.4581.0041.25BOATOM2828NSERB3623.661101.60980.4371.0039.16BNATOM2829CASERB3624.904102.36680.3411.0039.18BCATOM2830CBSERB3624.594103.86580.4261.0043.21BCATOM2831OGSERB3623.750104.27779.3561.0046.42BOATOM2832CSERB3625.973102.01181.3811.0038.31BCATOM2833OSERB3626.959102.73881.5351.0038.27BOATOM2834NALAB3725.788100.89782.0861.0036.63BNATOM2835CAALAB3726.738100.47883.1121.0032.97BCATOM2836CBALAB3726.52399.00683.4511.0030.86BCATOM2837CALAB3728.188100.71582.6801.0030.60BCATOM2838OALAB3728.484100.76481.4871.0029.21BOATOM2839NHISB3829.080100.85083.6601.0028.72BNATOM2840CAHISB3830.500101.08183.4071.0029.34BCATOM2841CBHISB3830.925102.39184.0681.0033.95BCATOM2842CGHISB3829.910103.48683.9451.0037.23BCATOM2843CD2HISB3829.321104.26384.8821.0035.52BCATOM2844ND1HISB3829.386103.88582.7321.0040.35BNATOM2845CE1HISB3828.518104.86282.9291.0037.80BCATOM2846NE2HISB3828.461105.11084.2241.0037.06BNATOM2847CHISB3831.38099.94483.9431.0028.92BCATOM2848OHISB3831.07499.34484.9751.0030.21BOATOM2849NSERB3932.47999.66183.2481.0026.88BNATOM2850CASERB3933.39798.60183.6601.0025.05BCATOM2851CBSERB3934.45098.35482.5751.0026.54BCATOM2852OGSERB3935.41397.39382.9961.0027.32BOATOM2853CSERB3934.09998.95584.9621.0024.58BCATOM2854OSERB3934.78599.96285.0501.0028.38BOATOM2855NILEB4033.93498.12585.9771.0023.85BNATOM2856CAILEB4034.57098.38587.2541.0024.65BCATOM2857CBILEB4033.51698.60188.3611.0024.57BCATOM2858CG2ILEB4032.61599.75587.9891.0024.89BCATOM2859CG1ILEB4032.65697.34588.5201.0025.10BCATOM2860CD1ILEB4031.59797.46989.5841.0027.45BCATOM2861CILEB4035.45497.20087.6151.0024.14BCATOM2862OILEB4035.95497.10088.7331.0025.03BOATOM2863NVALB4135.65196.31086.6521.0023.02BNATOM2864CAVALB4136.46995.12586.8691.0026.01BCATOM2865CBVALB4135.64093.84486.6751.0025.81BCATOM2866CG1VALB4136.52192.63286.8921.0026.25BCATOM2867CG2VALB4134.46093.83587.6351.0025.45BCATOM2868CVALB4137.68195.05385.9411.0027.37BCATOM2869OVALB4137.56095.13984.7181.0028.32BOATOM2870NGLUB4238.85394.89986.5381.0028.49BNATOM2871CAGLUB4240.08794.80085.7801.0029.62BCATOM2872CBGLUB4241.01095.97386.1111.0032.09BCATOM2873CGGLUB4240.39697.34185.8291.0035.61BCATOM2874CDGLUB4239.80498.00887.0691.0037.64BCATOM2875OE1GLUB4239.07399.00686.9021.0039.80BOATOM2876OE2GLUB4240.07697.55488.2081.0038.54BOATOM2877CGLUB4240.74893.48086.1631.0030.33BCATOM2878OGLUB4241.01793.23787.3371.0030.81BOATOM2879NCYSB4340.99392.62785.1701.0030.26BNATOM2880CACYSB4341.60291.32585.4091.0030.60BCATOM2881CBCYSB4340.72490.22184.8091.0029.47BCATOM2882SGCYSB4339.03190.12785.4891.0036.31BSATOM2883CCYSB4343.01391.22184.8351.0031.77BCATOM2884OCYSB4343.22691.43483.6431.0035.17BOATOM2885NASPB4443.97890.90085.6911.0031.33BNATOM2886CAASPB4445.36790.74185.2581.0031.13BCATOM2887CBASPB4446.28991.68286.0351.0031.81BCATOM2888CGASPB4447.72891.59785.5691.0032.14BCATOM2889OD1ASPB4448.26090.47585.4901.0034.89BOATOM2890OD2ASPB4448.33392.64985.2831.0037.47BOATOM2891CASPB4445.82389.29685.4711.0029.29BCATOM2892OASPB4446.24688.91286.5701.0026.17BOATOM2893NPROB4545.73788.47584.4181.0028.37BNATOM2894CDPROB4545.28888.81083.0541.0029.07BCATOM2895CAPROB4546.14487.07084.5121.0028.75BCATOM2896CBPROB4545.76186.50783.1421.0028.30BCATOM2897CGPROB4545.90987.69482.2301.0028.78BCATOM2898CPROB4547.62486.86784.8521.0029.05BCATOM2899OPROB4547.97185.94985.5951.0030.05BOATOM2900NVALB4648.49287.73084.3291.0028.13BNATOM2901CAVALB4649.92287.60984.5921.0029.81BCATOM2902CBVALB4650.74088.65983.8001.0030.47BCATOM2903CG1VALB4652.22788.49284.1101.0029.40BCATOM2904CG2VALB4650.48688.51482.3091.0027.34BCATOM2905CVALB4650.26387.74686.0801.0031.01BCATOM2906OVALB4651.22687.15086.5661.0034.14BOATOM2907NARGB4749.48388.53786.8041.0030.24BNATOM2908CAARGB4749.72988.71688.2231.0030.09BCATOM2909CBARGB4749.71290.19888.5831.0030.53BCATOM2910CGARGB4750.91390.97188.0501.0031.88BCATOM2911CDARGB4750.75792.46888.2691.0031.56BCATOM2912NEARGB4750.53692.79489.6771.0033.34BNATOM2913CZARGB4751.45492.67590.6311.0033.85BCATOM2914NH1ARGB4752.66992.23690.3351.0035.84BNATOM2915NH2ARGB4751.15592.99691.8841.0033.08BNATOM2916CARGB4748.67387.97089.0131.0031.73BCATOM2917OARGB4748.70987.94090.2311.0032.39BOATOM2918NLYSB4847.72287.36888.3051.0031.16BNATOM2919CALYSB4846.67086.61088.9641.0029.16BCATOM2920CBLYSB4847.30085.55789.8681.0030.92BCATOM2921CGLYSB4848.56884.91989.3021.0036.24BCATOM2922CDLYSB4849.34584.20690.4061.0038.79BCATOM2923CELYSB4850.60383.53289.8871.0041.88BCATOM2924NZLYSB4850.30782.42988.9261.0042.96BNATOM2925CLYSB4845.83387.56089.8121.0029.07BCATOM2926OLYSB4845.50587.25690.9591.0030.49BOATOM2927NGLUB4945.47188.70889.2571.0027.75BNATOM2928CAGLUB4944.70189.66690.0371.0026.69BCATOM2929CBGLUB4945.56390.89090.3631.0029.03BCATOM2930CGGLUB4946.64590.66691.4071.0034.87BCATOM2931CDGLUB4947.42591.94191.7201.0038.38BCATOM2932OE1GLUB4948.17692.42890.8391.0037.79BOATOM2933OE2GLUB4947.27792.46292.8491.0039.50BOATOM2934CGLUB4943.39790.15089.4201.0025.01BCATOM2935OGLUB4943.15090.00688.2271.0022.36BOATOM2936NVALB5042.56890.73290.2761.0023.14BNATOM2937CAVALB5041.28991.30689.8891.0021.92BCATOM2938CBVALB5040.14990.24389.8901.0020.53BCATOM2939CG1VALB5040.43889.16690.9101.0020.07BCATOM2940CG2VALB5038.80890.91690.1881.0015.24BCATOM2941CVALB5040.97492.42590.8821.0022.18BCATOM2942OVALB5040.92792.19892.0941.0024.54BOATOM2943NSERB5140.79493.63590.3621.0021.71BNATOM2944CASERB5140.49994.81291.1871.0022.96BCATOM2945CBSERB5141.63995.83791.0961.0023.67BCATOM2946OGSERB5141.75896.34789.7731.0025.65BOATOM2947CSERB5139.20095.47290.7411.0022.82BCATOM2948OSERB5138.87595.49389.5481.0019.21BOATOM2949NVALB5238.47696.02291.7111.0024.45BNATOM2950CAVALB5237.19396.66491.4551.0027.31BCATOM2951CBVALB5236.04595.90392.1821.0027.01BCATOM2952CG1VALB5234.68996.39291.6781.0027.10BCATOM2953CG2VALB5236.20094.40091.9801.0025.29BCATOM2954CVALB5237.18698.09991.9551.0028.46BCATOM2955OVALB5237.80098.39892.9791.0027.54BOATOM2956NARGB5336.48698.97991.2411.0032.17BNATOM2957CAARGB5336.393100.37991.6511.0035.31BCATOM2958CBARGB5335.822101.26090.5431.0035.96BCATOM2959CGARGB5336.602101.29989.2611.0038.71BCATOM2960CDARGB5336.010102.35288.3461.0040.50BCATOM2961NEARGB5336.398102.13586.9601.0043.72BNATOM2962CZARGB5337.653102.02686.5421.0043.67BCATOM2963NH1ARGB5338.660102.11387.4091.0041.33BNATOM2964NH2ARGB5337.897101.82685.2541.0041.91BNATOM2965CARGB5335.457100.49192.8431.0038.21BCATOM2966OARGB5334.68899.57793.1411.0037.48BOATOM2967NTHRB5435.517101.63893.5071.0041.41BNATOM2968CATHRB5434.674101.91794.6621.0043.37BCATOM2969CBTHRB5435.473101.86195.9741.0042.57BCATOM2970OG1THRB5435.795100.50096.2851.0039.71BOATOM2971CG2THRB5434.674102.49297.1141.0041.99BCATOM2972CTHRB5434.108103.32694.5401.0045.18BCATOM2973OTHRB5432.986103.60194.9731.0045.79BOATOM2974NGLYB5534.928104.23194.0071.0045.54BNATOM2975CAGLYB5534.516105.61593.8441.0047.49BCATOM2976CGLYB5534.095106.31395.1281.0049.19BCATOM2977OGLYB5534.368107.50195.3001.0050.22BOATOM2978NGLYB5633.436105.58296.0271.0049.81BNATOM2979CAGLYB5632.986106.15697.2861.0051.53BCATOM2980CGLYB5632.100107.37497.0811.0052.97BCATOM2981OGLYB5630.868107.28597.1231.0052.12BOATOM2982NLEUB5732.743108.51996.8641.0054.16BNATOM2983CALEUB5732.053109.78596.6261.0054.22BCATOM2984CBLEUB5731.033110.05697.7461.0055.14BCATOM2985CGLEUB5729.648110.57797.3281.0054.88BCATOM2986CD1LEUB5728.743110.69498.5571.0054.48BCATOM2987CD2LEUB5729.782111.92996.6281.0053.58BCATOM2988CLEUB5733.102110.90696.5611.0052.17BCATOM2989OLEUB5733.470111.48297.5851.0049.98BOATOM2990NALAB5833.583111.18295.3471.0050.86BNATOM2991CAALAB5834.594112.21495.0841.0051.31BCATOM2992CBALAB5834.914112.99896.3601.0052.35BCATOM2993CALAB5835.879111.61194.5141.0050.63BCATOM2994OALAB5836.379112.05093.4721.0047.35BOATOM2995NASPB5936.403110.60495.2101.0050.38BNATOM2996CAASPB5937.624109.92194.7991.0049.36BCATOM2997CBASPB5938.575109.76996.0011.0050.79BCATOM2998CGASPB5937.932109.03897.1801.0051.94BCATOM2999OD1ASPB5937.695107.81297.0761.0051.71BOATOM3000OD2ASPB5937.664109.69698.2121.0049.04BOATOM3001CASPB5937.337108.55194.1881.0047.52BCATOM3002OASPB5937.393107.53294.8801.0045.95BOATOM3003NLYSB6037.025108.53192.8921.0046.49BNATOM3004CALYSB6036.748107.27892.1961.0046.09BCATOM3005CBLYSB6036.282107.53690.7601.0046.80BCATOM3006CGLYSB6036.028106.25689.9751.0045.00BCATOM3007CDLYSB6035.237106.52388.7131.0045.07BCATOM3008CELYSB6034.965105.22987.9521.0049.40BCATOM3009NZLYSB6034.171104.25288.7491.0051.86BNATOM3010CLYSB6038.034106.46792.1741.0046.58BCATOM3011OLYSB6038.054105.29591.7821.0044.22BOATOM3012NSERB6139.109107.11692.6051.0047.03BNATOM3013CASERB6140.411106.48392.6561.0048.54BCATOM3014CBSERB6141.404107.41393.3601.0047.77BCATOM3015OGSERB6142.714106.87593.3291.0046.07BOATOM3016CSERB6140.325105.13693.3921.0049.15BCATOM3017OSERB6140.618104.08392.8141.0049.36BOATOM3018NSERB6239.912105.17994.6601.0048.09BNATOM3019CASERB6239.796103.98195.4921.0045.55BCATOM3020CBSERB6238.797104.22396.6281.0044.57BCATOM3021OGSERB6239.269103.66897.8431.0038.91BOATOM3022CSERB6239.395102.74394.6811.0045.14BCATOM3023OSERB6238.469102.76993.8641.0044.37BOATOM3024NARGB6340.110101.65794.9411.0045.10BNATOM3025CAARGB6339.942100.38094.2621.0044.92BCATOM3026CBARGB6340.835100.35093.0231.0047.34BCATOM3027CGARGB6340.388101.28891.9151.0052.54BCATOM3028CDARGB6341.510101.47790.9211.0057.13BCATOM3029NEARGB6342.213100.22090.6871.0060.47BNATOM3030CZARGB6343.357100.11890.0191.0061.81BCATOM3031NH1ARGB6343.930101.20489.5151.0062.05BNATOM3032NH2ARGB6343.93198.93289.8611.0061.92BNATOM3033CARGB6340.34399.24995.2061.0042.15BCATOM3034OARGB6341.18299.43496.0931.0041.77BOATOM3035NLYSB6439.74898.07895.0071.0039.77BNATOM3036CALYSB6440.04396.92695.8491.0037.52BCATOM3037CBLYSB6438.74896.47096.5431.0037.50BCATOM3038CGLYSB6438.93695.39897.6131.0042.88BCATOM3039CDLYSB6437.75395.34298.5851.0043.29BCATOM3040CELYSB6437.72596.57999.4911.0044.91BCATOM3041NZLYSB6436.61296.550100.4841.0043.02BNATOM3042CLYSB6440.67295.79795.0091.0035.90BCATOM3043OLYSB6440.16995.44393.9321.0034.30BOATOM3044NTHRB6541.77795.24295.5031.0032.44BNATOM3045CATHRB6542.49094.18494.7881.0030.41BCATOM3046CBTHRB6543.95194.61894.4901.0029.46BCATOM3047OG1THRB6543.94995.63793.4831.0029.64BOATOM3048CG2THRB6544.78093.44194.0101.0025.82BCATOM3049CTHRB6542.53292.82795.4831.0029.54BCATOM3050OTHRB6542.88392.73096.6591.0030.96BOATOM3051NTYRB6642.17891.78394.7381.0028.39BNATOM3052CATYRB6642.19990.42195.2561.0027.17BCATOM3053CBTYRB6640.80889.78595.2061.0026.17BCATOM3054CGTYRB6639.71690.52295.9441.0026.44BCATOM3055CD1TYRB6639.00091.54195.3351.0026.42BCATOM3056CE1TYRB6637.94892.15995.9891.0026.02BCATOM3057CD2TYRB6639.35590.15197.2341.0026.87BCATOM3058CE2TYRB6638.31190.76297.8901.0024.27BCATOM3059CZTYRB6637.60791.76097.2651.0026.69BCATOM3060OHTYRB6636.53492.34297.9041.0026.29BOATOM3061CTYRB6643.14289.58794.3841.0026.81BCATOM3062OTYRB6643.29289.85593.1841.0026.04BOATOM3063NTHRB6743.76488.58094.9941.0024.59BNATOM3064CATHRB6744.68287.68094.2961.0023.72BCATOM3065CBTHRB6746.10587.71194.9201.0023.99BCATOM3066OG1THRB6746.71988.98594.6751.0028.16BOATOM3067CG2THRB6746.96986.62594.3311.0021.26BCATOM3068CTHRB6744.13586.26194.4051.0023.72BCATOM3069OTHRB6743.65885.85195.4691.0022.42BOATOM3070NPHEB6844.18885.52293.3011.0024.48BNATOM3071CAPHEB6843.69884.14893.2771.0024.84BCATOM3072CBPHEB6842.29884.08492.6491.0024.07BCATOM3073CGPHEB6841.27484.94693.3511.0023.15BCATOM3074CD1PHEB6840.98786.22592.8941.0024.49BCATOM3075CD2PHEB6840.61684.48594.4781.0021.36BCATOM3076CE1PHEB6840.05987.03093.5521.0023.89BCATOM3077CE2PHEB6839.68885.28595.1421.0022.79BCATOM3078CZPHEB6839.41086.55794.6781.0021.00BCATOM3079CPHEB6844.67383.26592.5051.0025.10BCATOM3080OPHEB6845.64783.76291.9241.0023.59BOATOM3081NASPB6944.42081.95992.5121.0024.68BNATOM3082CAASPB6945.28981.01591.8251.0023.10BCATOM3083CBASPB6944.79779.59192.0511.0025.41BCATOM3084CGASPB6945.02079.12193.4791.0027.32BCATOM3085OD1ASPB6946.19379.09593.9241.0029.74BOATOM3086OD2ASPB6944.02878.77994.1551.0026.85BOATOM3087CASPB6945.38281.32390.3471.0023.14BCATOM3088OASPB6946.47281.29789.7781.0025.16BOATOM3089NMETB7044.24181.61289.7261.0023.50BNATOM3090CAMETB7044.19581.97388.3031.0022.46BCATOM3091CBMETB7043.95780.74787.4271.0024.03BCATOM3092CGMETB7045.07979.73687.4731.0028.86BCATOM3093SDMETB7044.76778.34186.3921.0033.19BSATOM3094CEMETB7044.19177.11587.5381.0030.50BCATOM3095CMETB7043.08982.99588.0551.0022.41BCATOM3096OMETB7042.02482.93388.6671.0020.76BOATOM3097NVALB7143.36183.94387.1621.0022.85BNATOM3098CAVALB7142.40684.99386.8241.0021.35BCATOM3099CBVALB7142.96686.37787.1901.0019.69BCATOM3100CG1VALB7142.01487.46486.7111.0020.42BCATOM3101CG2VALB7143.16586.46988.6901.0015.52BCATOM3102CVALB7142.11384.95985.3291.0021.29BCATOM3103OVALB7143.03384.97284.5141.0024.15BOATOM3104NPHEB7240.83584.92284.9681.0019.32BNATOM3105CAPHEB7240.44784.85383.5611.0018.98BCATOM3106CBPHEB7239.63383.57883.3061.0016.84BCATOM3107CGPHEB7240.37782.30283.5921.0014.90BCATOM3108CD1PHEB7241.41481.88382.7671.0011.52BCATOM3109CD2PHEB7240.02881.50684.6801.0013.39BCATOM3110CE1PHEB7242.08780.70083.0201.008.15BCATOM3111CE2PHEB7240.70180.31984.9371.007.47BCATOM3112CZPHEB7241.72779.92284.1071.0012.50BCATOM3113CPHEB7239.62386.05183.1071.0020.59BCATOM3114OPHEB7238.46386.19283.4911.0021.66BOATOM3115NGLYB7340.21886.90082.2751.0021.28BNATOM3116CAGLYB7339.50688.06181.7691.0020.44BCATOM3117CGLYB7338.29387.63480.9571.0022.36BCATOM3118OGLYB7338.09086.43780.7191.0022.17BOATOM3119NALAB7437.50288.60880.5111.0021.87BNATOM3120CAALAB7436.29088.33179.7481.0023.94BCATOM3121CBALAB7435.47589.60979.6021.0025.87BCATOM3122CALAB7436.47487.68278.3761.0026.37BCATOM3123OALAB7435.54187.06677.8611.0029.60BOATOM3124NSERB7537.65887.80377.7811.0025.89BNATOM3125CASERB7537.88787.22576.4581.0025.77BCATOM3126CBSERB7538.86588.09175.6641.0027.59BCATOM3127OGSERB7540.19387.87076.1061.0031.12BOATOM3128CSERB7538.41985.79576.5021.0024.50BCATOM3129OSERB7539.01085.31575.5321.0026.35BOATOM3130NTHRB7638.20085.11777.6231.0022.05BNATOM3131CATHRB7638.65383.74677.7961.0019.71BCATOM3132CBTHRB7638.66483.38579.2891.0022.60BCATOM3133OG1THRB7639.67284.15679.9561.0021.73BOATOM3134CG2THRB7638.92781.89679.4911.0026.24BCATOM3135CTHRB7637.77882.74177.0371.0021.11BCATOM3136OTHRB7636.55482.83277.0351.0020.25BOATOM3137NLYSB7738.41681.78376.3741.0022.76BNATOM3138CALYSB7737.67780.77275.6301.0021.76BCATOM3139CBLYSB7738.46780.30674.4091.0024.32BCATOM3140CGLYSB7738.70981.36273.3421.0027.40BCATOM3141CDLYSB7738.60680.70971.9551.0030.85BCATOM3142CELYSB7739.42379.41771.8581.0029.67BCATOM3143NZLYSB7738.91178.49470.7991.0025.42BNATOM3144CLYSB7737.43079.58276.5391.0018.69BCATOM3145OLYSB7738.20379.34177.4651.0019.36BOATOM3146NGLNB7836.35078.85376.2741.0014.49BNATOM3147CAGLNB7836.00277.67177.0501.0013.74BCATOM3148CBGLNB7834.78176.99376.4451.0013.87BCATOM3149CGGLNB7833.53377.87076.3881.0013.92BCATOM3150CDGLNB7832.76777.88077.6931.0014.70BCATOM3151OE1GLNB7833.29278.27978.7381.0015.07BOATOM3152NE2GLNB7831.51777.43177.6421.0012.19BNATOM3153CGLNB7837.18576.70477.0301.0016.13BCATOM3154OGLNB7837.50576.08578.0431.0016.93BOATOM3155NILEB7937.83076.60575.8671.0017.26BNATOM3156CAILEB7938.98875.73975.6421.0017.92BCATOM3157CBILEB7939.47975.84474.1551.0019.33BCATOM3158CG2ILEB7940.02577.23273.8821.0020.49BCATOM3159CG1ILEB7940.59674.83973.8741.0017.62BCATOM3160CD1ILEB7940.13273.42773.7391.0021.00BCATOM3161CILEB7940.16076.06976.5731.0017.01BCATOM3162OILEB7940.92975.18376.9421.0016.33BOATOM3163NASPB8040.30577.34376.9351.0018.44BNATOM3164CAASPB8041.38677.77277.8371.0019.44BCATOM3165CBASPB8041.63879.28377.7341.0023.02BCATOM3166CGASPB8042.14979.69676.3661.0027.19BCATOM3167OD1ASPB8043.08279.03375.8691.0026.80BOATOM3168OD2ASPB8041.62680.68075.7931.0031.79BOATOM3169CASPB8041.04377.43279.2771.0018.17BCATOM3170OASPB8041.90176.96080.0321.0019.63BOATOM3171NVALB8139.79477.68779.6591.0014.90BNATOM3172CAVALB8139.35077.37381.0081.0014.10BCATOM3173CBVALB8137.83177.59681.2061.0016.41BCATOM3174CG1VALB8137.40377.02582.5491.008.37BCATOM3175CG2VALB8137.49979.06781.1291.0015.46BCATOM3176CVALB8139.60375.90181.2231.0014.02BCATOM3177OVALB8140.10275.48182.2711.0014.92BOATOM3178NTYRB8239.24675.11680.2181.0011.61BNATOM3179CATYRB8239.42773.68380.3181.0018.44BCATOM3180CBTYRB8238.76172.97379.1341.0020.03BCATOM3181CGTYRB8238.87971.47879.2111.0023.03BCATOM3182CD1TYRB8239.86870.80378.5021.0025.76BCATOM3183CE1TYRB8240.03469.42978.6351.0027.61BCATOM3184CD2TYRB8238.04970.73880.0551.0023.15BCATOM3185CE2TYRB8238.20669.36380.1971.0023.62BCATOM3186CZTYRB8239.20468.71679.4871.0025.18BCATOM3187OHTYRB8239.40967.37079.6521.0023.89BOATOM3188CTYRB8240.89573.28280.4261.0021.58BCATOM3189OTYRB8241.25572.49181.3071.0024.48BOATOM3190NARGB8341.74673.82979.5601.0020.69BNATOM3191CAARGB8343.17173.48679.5841.0022.43BCATOM3192CBARGB8343.92474.16478.4271.0027.52BCATOM3193CGARGB8343.62173.63977.0101.0031.08BCATOM3194CDARGB8344.63774.21676.0181.0034.04BCATOM3195NEARGB8344.36273.90374.6141.0037.11BNATOM3196CZARGB8344.17972.67774.1261.0038.20BCATOM3197NH1ARGB8344.23271.61874.9261.0037.92BNATOM3198NH2ARGB8343.95172.50972.8291.0034.28BNATOM3199CARGB8343.86573.86380.8871.0023.47BCATOM3200OARGB8344.73573.13581.3691.0024.11BOATOM3201NSERB8443.48875.00281.4591.0023.15BNATOM3202CASERB8444.12075.47282.6891.0022.69BCATOM3203CBSERB8443.99576.99682.7861.0024.24BCATOM3204OGSERB8444.50177.63181.6241.0026.32BOATOM3205CSERB8443.58774.85283.9741.0021.94BCATOM3206OSERB8444.35174.47784.8511.0021.03BOATOM3207NVALB8542.27274.73784.0831.0021.77BNATOM3208CAVALB8541.66974.20285.2891.0018.41BCATOM3209CBVALB8540.38474.96285.5971.0020.44BCATOM3210CG1VALB8539.85674.56686.9601.0022.21BCATOM3211CG2VALB8540.66176.46285.5411.0022.80BCATOM3212CVALB8541.37972.70885.3311.0017.43BCATOM3213OVALB8541.82972.02886.2391.0018.15BOATOM3214NVALB8640.64772.18884.3491.0019.14BNATOM3215CAVALB8640.29470.76684.3371.0018.32BCATOM3216CBVALB8639.19570.48983.3061.0018.69BCATOM3217CG1VALB8638.69669.05383.4441.0013.34BCATOM3218CG2VALB8638.05471.47383.5051.0018.08BCATOM3219CVALB8641.41269.73184.1341.0020.17BCATOM3220OVALB8641.57668.83584.9681.0018.33BOATOM3221NCYSB8742.17069.84383.0411.0019.64BNATOM3222CACYSB8743.24668.88882.7541.0018.72BCATOM3223CBCYSB8744.22469.46781.7411.0020.68BCATOM3224SGCYSB8743.58569.46580.0861.0028.68BSATOM3225CCYSB8744.02868.40283.9651.0017.76BCATOM3226OCYSB8744.05367.21484.2571.0017.82BOATOM3227NPROB8844.68969.31284.6851.0017.93BNATOM3228CDPROB8844.60370.78084.6881.0017.63BCATOM3229CAPROB8845.43968.83185.8491.0019.51BCATOM3230CBPROB8845.80170.12286.5911.0016.31BCATOM3231CGPROB8845.80271.15585.5181.0017.74BCATOM3232CPROB8844.55767.91086.7011.0019.54BCATOM3233OPROB8844.92466.78387.0141.0021.57BOATOM3234NILEB8943.38568.41287.0711.0020.80BNATOM3235CAILEB8942.44067.66387.8901.0019.05BCATOM3236CBILEB8941.16468.51188.1371.0019.18BCATOM3237CG2ILEB8940.05167.64888.7011.0012.57BCATOM3238CG1ILEB8941.52769.67589.0741.0018.47BCATOM3239CD1ILEB8940.43670.70689.2811.0018.42BCATOM3240CILEB8942.07366.31887.2751.0017.01BCATOM3241OILEB8942.09165.30387.9521.0016.89BOATOM3242NLEUB9041.76466.31285.9851.0016.50BNATOM3243CALEUB9041.39565.08585.3091.0015.39BCATOM3244CBLEUB9041.04365.36183.8421.0015.87BCATOM3245CGLEUB9040.56664.13983.0441.0019.09BCATOM3246CD1LEUB9039.33363.54283.7011.0012.34BCATOM3247CD2LEUB9040.26164.54181.6071.0020.59BCATOM3248CLEUB9042.50664.05285.3981.0016.69BCATOM3249OLEUB9042.22562.86785.5471.0018.80BOATOM3250NASPB9143.76164.48785.3071.0017.26BNATOM3251CAASPB9144.87763.55685.3971.0019.52BCATOM3252CBASPB9146.22164.28385.2811.0019.85BCATOM3253CGASPB9146.49164.81483.8771.0019.70BCATOM3254OD1ASPB9146.18364.10682.8951.0019.03BOATOM3255OD2ASPB9147.03065.93683.7541.0019.14BOATOM3256CASPB9144.79662.81286.7281.0023.78BCATOM3257OASPB9145.11161.61786.8041.0026.24BOATOM3258NGLUB9244.36263.51087.7761.0025.23BNATOM3259CAGLUB9244.21762.87989.0851.0027.26BCATOM3260CBGLUB9244.00463.93290.1741.0028.41BCATOM3261CGGLUB9245.18764.87790.3571.0035.04BCATOM3262CDGLUB9246.51664.14590.5151.0039.26BCATOM3263OE1GLUB9246.61663.28091.4191.0037.62BOATOM3264OE2GLUB9247.45864.44189.7361.0038.63BOATOM3265CGLUB9243.06561.85589.1081.0026.56BCATOM3266OGLUB9243.21460.76289.6611.0029.51BOATOM3267NVALB9341.92362.19388.5211.0022.63BNATOM3268CAVALB9340.80361.24988.4931.0022.22BCATOM3269CBVALB9339.56161.82387.7491.0019.89BCATOM3270CG1VALB9338.58760.72387.4551.0016.96BCATOM3271CG2VALB9338.88762.89288.5891.0020.59BCATOM3272CVALB9341.22359.97087.7811.0022.63BCATOM3273OVALB9340.95158.87588.2571.0022.32BOATOM3274NILEB9441.88260.12086.6341.0024.76BNATOM3275CAILEB9442.33758.97885.8411.0024.09BCATOM3276CBILEB9443.01159.43584.5361.0022.70BCATOM3277CG2ILEB9443.77558.27783.9051.0017.36BCATOM3278CG1ILEB9441.95259.98283.5801.0021.24BCATOM3279CD1ILEB9442.52260.49782.2851.0023.67BCATOM3280CILEB9443.31358.10786.6191.0025.00BCATOM3281OILEB9443.44056.91886.3501.0023.32BOATOM3282NMETB9544.00958.70987.5761.0026.13BNATOM3283CAMETB9544.95057.96588.4011.0028.16BCATOM3284CBMETB9546.07258.87488.9141.0029.92BCATOM3285CGMETB9546.98259.40787.8251.0033.76BCATOM3286SDMETB9548.56159.99288.4741.0039.06BSATOM3287CEMETB9548.25661.73288.6391.0037.02BCATOM3288CMETB9544.20257.35889.5801.0028.27BCATOM3289OMETB9544.81756.83790.5091.0029.72BOATOM3290NGLYB9642.87457.45289.5441.0027.43BNATOM3291CAGLYB9642.05256.87390.5961.0024.78BCATOM3292CGLYB9641.71457.71891.8051.0024.85BCATOM3293OGLYB9641.56157.18592.9011.0023.65BOATOM3294NTYRB9741.58059.02691.6191.0025.98BNATOM3295CATYRB9741.25759.92692.7271.0024.49BCATOM3296CBTYRB9742.35660.98592.8751.0024.17BCATOM3297CGTYRB9743.66560.38893.3521.0028.86BCATOM3298CD1TYRB9743.74959.73894.5851.0031.63BCATOM3299CE1TYRB9744.92859.14295.0071.0031.31BCATOM3300CD2TYRB9744.80360.42892.5611.0030.09BCATOM3301CE2TYRB9745.99059.83092.9801.0029.58BCATOM3302CZTYRB9746.04259.18994.1961.0030.72BCATOM3303OHTYRB9747.20158.55894.5861.0036.08BOATOM3304CTYRB9739.89360.58292.5511.0023.86BCATOM3305OTYRB9739.39260.68691.4321.0025.48BOATOM3306NASNB9839.30161.01293.6641.0023.05BNATOM3307CAASNB9837.97961.64393.6751.0021.50BCATOM3308CBASNB9837.17361.12394.8651.0022.93BCATOM3309CGASNB9835.68961.18594.6311.0027.58BCATOM3310OD1ASNB9835.15062.21794.2391.0033.76BOATOM3311ND2ASNB9835.01060.07594.8731.0031.49BNATOM3312CASNB9838.10063.16793.7691.0021.45BCATOM3313OASNB9838.49163.70294.8061.0022.92BOATOM3314NCYSB9937.74263.86392.6921.0019.80BNATOM3315CACYSB9937.84165.31892.6501.0017.59BCATOM3316CBCYSB9938.85165.71991.5711.0018.03BCATOM3317SGCYSB9940.53265.03491.8641.0019.68BSATOM3318CCYSB9936.51966.05692.4411.0016.38BCATOM3319OCYSB9935.50965.46992.0721.0017.60BOATOM3320NTHRB10036.53567.35992.6861.0018.30BNATOM3321CATHRB10035.34368.18192.5481.0016.11BCATOM3322CBTHRB10034.62268.32893.8941.0017.96BCATOM3323OG1THRB10034.09267.05994.2951.0021.94BOATOM3324CG2THRB10033.49069.33993.7891.0018.30BCATOM3325CTHRB10035.69269.56892.0541.0018.40BCATOM3326OTHRB10036.65770.18392.5241.0020.25BOATOM3327NILEB10134.90870.05491.0991.0015.95BNATOM3328CAILEB10135.09671.38390.5481.0013.69BCATOM3329CBILEB10135.41371.33089.0451.0010.90BCATOM3330CG2ILEB10135.55572.73188.5011.0011.54BCATOM3331CG1ILEB10136.70270.55488.8101.0012.71BCATOM3332CD1ILEB10137.15570.51987.3421.0010.76BCATOM3333CILEB10133.77272.12690.7551.0015.49BCATOM3334OILEB10132.70271.58290.4671.0015.47BOATOM3335NPHEB10233.84973.35891.2541.0013.02BNATOM3336CAPHEB10232.66274.15791.5041.0012.35BCATOM3337CBPHEB10232.65674.66192.9481.0012.49BCATOM3338CGPHEB10232.43673.60293.9751.0013.47BCATOM3339CD1PHEB10231.16173.13094.2471.0012.88BCATOM3340CD2PHEB10233.50773.11194.7221.0014.87BCATOM3341CE1PHEB10230.95072.18995.2491.0010.33BCATOM3342CE2PHEB10233.30472.16695.7241.0012.33BCATOM3343CZPHEB10232.02271.70895.9861.0010.21BCATOM3344CPHEB10232.56475.38490.6051.0013.86BCATOM3345OPHEB10233.56375.90990.1221.0015.56BOATOM3346NALAB10331.33675.85090.4201.0014.81BNATOM3347CAALAB10331.04477.05089.6551.0014.96BCATOM3348CBALAB10330.24276.71488.4431.0012.80BCATOM3349CALAB10330.20077.84790.6371.0017.03BCATOM3350OALAB10329.10277.42690.9911.0018.47BOATOM3351NTYRB10430.71678.98191.0981.0017.79BNATOM3352CATYRB10430.00079.79392.0731.0020.19BCATOM3353CBTYRB10430.68679.67393.4351.0016.64BCATOM3354CGTYRB10430.15180.63094.4711.0019.32BCATOM3355CD1TYRB10430.14881.99894.2341.0020.71BCATOM3356CE1TYRB10429.64782.89095.1611.0019.37BCATOM3357CD2TYRB10429.63880.17495.6831.0021.29BCATOM3358CE2TYRB10429.13381.06396.6241.0018.86BCATOM3359CZTYRB10429.14082.42196.3481.0020.87BCATOM3360OHTYRB10428.60883.32897.2391.0020.77BOATOM3361CTYRB10429.88481.27291.6851.0022.84BCATOM3362OTYRB10430.87581.90291.3011.0024.83BOATOM3363NGLYB10528.67881.82791.8051.0020.41BNATOM3364CAGLYB10528.48183.22791.4781.0019.88BCATOM3365CGLYB10527.02983.62491.2881.0019.78BCATOM3366OGLYB10526.13282.78591.3221.0020.42BOATOM3367NGLNB10626.80184.91391.0721.0017.99BNATOM3368CAGLNB10625.46185.45290.8851.0017.43BCATOM3369CBGLNB10625.51986.97190.9551.0017.38BCATOM3370CGGLNB10624.47387.66690.1291.0020.22BCATOM3371CDGLNB10624.81589.12389.8931.0021.50BCATOM3372OE1GLNB10625.88189.44089.3761.0021.28BOATOM3373NE2GLNB10623.90890.01690.2691.0022.52BNATOM3374CGLNB10624.81685.02389.5711.0018.15BCATOM3375OGLNB10625.47984.96888.5461.0019.29BOATOM3376NTHRB10723.51584.73289.6091.0018.01BNATOM3377CATHRB10722.77884.29088.4271.0017.43BCATOM3378CBTHRB10721.24684.22588.6891.0016.84BCATOM3379OG1THRB10720.95183.16589.6121.0021.76BOATOM3380CG2THRB10720.49083.97187.4021.0013.79BCATOM3381CTHRB10723.03085.18487.2201.0020.24BCATOM3382OTHRB10722.97886.41787.3081.0023.03BOATOM3383NGLYB10823.30884.55186.0851.0020.39BNATOM3384CAGLYB10823.57985.29084.8711.0016.88BCATOM3385CGLYB10825.03685.68584.6711.0015.01BCATOM3386OGLYB10825.34286.39783.7191.0010.83BOATOM3387NTHRB10925.93885.23785.5441.0015.65BNATOM3388CATHRB10927.35085.58985.3841.0017.09BCATOM3389CBTHRB10928.01485.94286.7381.0017.23BCATOM3390OG1THRB10927.93284.81987.6241.0021.47BOATOM3391CG2THRB10927.33187.14587.3691.0015.34BCATOM3392CTHRB10928.18184.50484.6891.0015.73BCATOM3393OTHRB10929.35484.72384.3721.0012.53BOATOM3394NGLYB11027.58183.33684.4631.0014.41BNATOM3395CAGLYB11028.30882.28483.7761.0015.72BCATOM3396CGLYB11028.42380.89484.3771.0016.16BCATOM3397OGLYB11029.12380.06083.8011.0018.25BOATOM3398NLYSB11127.75880.63085.5021.0014.84BNATOM3399CALYSB11127.81979.31686.1281.0013.48BCATOM3400CBLYSB11126.79179.21487.2681.0016.16BCATOM3401CGLYSB11127.18879.84388.6141.0012.15BCATOM3402CDLYSB11125.93780.08489.4771.0012.05BCATOM3403CELYSB11125.00981.08488.7761.0015.90BCATOM3404NZLYSB11123.60881.16189.2691.0015.34BNATOM3405CLYSB11127.57678.19085.1111.0014.05BCATOM3406OLYSB11128.46877.38584.8421.0013.79BOATOM3407NTHRB11226.38178.14584.5271.0013.45BNATOM3408CATHRB11226.05677.07583.5821.0014.11BCATOM3409CBTHRB11224.54176.99383.3331.0013.35BCATOM3410OG1THRB11223.87076.81884.5841.0015.11BOATOM3411CG2THRB11224.21075.80182.4531.0010.97BCATOM3412CTHRB11226.78377.15582.2421.0013.78BCATOM3413OTHRB11227.03776.13281.6121.0010.37BOATOM3414NPHEB11327.10578.36481.7961.0014.04BNATOM3415CAPHEB11327.83578.50180.5431.0014.11BCATOM3416CBPHEB11328.04279.96880.2091.0012.24BCATOM3417CGPHEB11328.90680.19079.0081.0013.18BCATOM3418CD1PHEB11328.42779.93077.7401.0015.18BCATOM3419CD2PHEB11330.20180.66079.1451.0013.33BCATOM3420CE1PHEB11329.22180.13876.6221.0012.82BCATOM3421CE2PHEB11331.00180.86978.0361.0012.65BCATOM3422CZPHEB11330.50780.60876.7701.0010.98BCATOM3423CPHEB11329.20077.81180.6971.0014.52BCATOM3424OPHEB11329.65677.09079.8081.0013.74BOATOM3425NTHRB11429.83978.03781.8411.0013.89BNATOM3426CATHRB11431.13777.43882.1461.0012.29BCATOM3427CBTHRB11431.69577.97283.4721.009.97BCATOM3428OG1THRB11431.75679.39383.4211.0015.41BOATOM3429CG2THRB11433.06977.41483.7441.005.85BCATOM3430CTHRB11431.03575.92582.2921.0013.04BCATOM3431OTHRB11431.78075.18381.6621.0017.27BOATOM3432NMETB11530.10275.47983.1201.0010.95BNATOM3433CAMETB11529.92474.05983.3931.0013.39BCATOM3434CBMETB11529.09573.87784.6691.0014.53BCATOM3435CGMETB11529.53772.69885.5161.0017.01BCATOM3436SDMETB11531.21972.87686.1641.0018.74BSATOM3437CEMETB11531.18974.54886.6941.0014.42BCATOM3438CMETB11529.31573.21182.2781.0013.36BCATOM3439OMETB11529.71072.06082.0881.0010.96BOATOM3440NGLUB11628.35773.76381.5441.0014.51BNATOM3441CAGLUB11627.72173.00680.4761.0016.02BCATOM3442CBGLUB11626.19973.02880.6401.0012.94BCATOM3443CGGLUB11625.72672.49281.9741.0017.29BCATOM3444CDGLUB11624.21072.27982.0591.0019.14BCATOM3445OE1GLUB11623.75171.87183.1481.0020.48BOATOM3446OE2GLUB11623.47972.50381.0651.0014.72BOATOM3447CGLUB11628.08573.49879.0821.0018.01BCATOM3448OGLUB11628.48772.70978.2341.0017.29BOATOM3449NGLYB11727.93174.80178.8551.0019.87BNATOM3450CAGLYB11728.21675.38177.5551.0020.30BCATOM3451CGLYB11726.97375.44376.6881.0020.61BCATOM3452OGLYB11725.87975.20677.1811.0021.51BOATOM3453NGLUB11827.14075.75075.3991.0023.23BNATOM3454CAGLUB11826.02275.84074.4561.0024.83BCATOM3455CBGLUB11825.42677.24274.4901.0024.26BCATOM3456CGGLUB11825.51177.90275.8331.0026.72BCATOM3457CDGLUB11825.03779.33175.8001.0027.97BCATOM3458OE1GLUB11825.25379.99174.7611.0030.60BOATOM3459OE2GLUB11824.46679.79376.8111.0024.41BOATOM3460CGLUB11826.47475.54173.0211.0025.87BCATOM3461OGLUB11827.67275.51072.7331.0026.38BOATOM3462NARGB11925.51475.32472.1251.0025.19BNATOM3463CAARGB11925.83975.05970.7301.0028.27BCATOM3464CBARGB11924.67374.39169.9901.0032.54BCATOM3465CGARGB11924.18973.07770.5551.0038.99BCATOM3466CDARGB11925.02971.88770.0891.0042.89BCATOM3467NEARGB11925.06271.73768.6381.0044.87BNATOM3468CZARGB11925.32470.59168.0181.0046.20BCATOM3469NH1ARGB11925.56869.49868.7311.0045.67BNATOM3470NH2ARGB11925.35570.53866.6891.0045.96BNATOM3471CARGB11926.05476.41770.1041.0028.13BCATOM3472OARGB11925.42677.39570.5171.0029.25BOATOM3473NSERB12026.92576.48369.1051.0027.55BNATOM3474CASERB12027.16077.74868.4231.0028.94BCATOM3475CBSERB12028.44277.67067.6091.0025.53BCATOM3476OGSERB12029.52877.46968.4831.0026.89BOATOM3477CSERB12025.97078.06067.5161.0030.08BCATOM3478OSERB12025.63577.28466.6251.0028.34BOATOM3479NPROB12125.31779.21067.7461.0032.61BNATOM3480CDPROB12125.79680.23668.6901.0032.55BCATOM3481CAPROB12124.15079.70467.0031.0035.01BCATOM3482CBPROB12124.26281.21467.1791.0032.75BCATOM3483CGPROB12124.69881.30568.6061.0032.24BCATOM3484CPROB12124.02979.27565.5321.0036.85BCATOM3485OPROB12124.28780.05564.6101.0036.78BOATOM3486NASNB12223.62378.02365.3351.0039.14BNATOM3487CAASNB12223.43177.43964.0131.0040.78BCATOM3488CBASNB12222.33778.19763.2581.0044.36BCATOM3489CGASNB12220.95077.94363.8251.0046.49BCATOM3490OD1ASNB12220.60876.80664.1691.0048.52BOATOM3491ND2ASNB12220.13478.99763.9041.0045.64BNATOM3492CASNB12224.65977.31063.1121.0040.24BCATOM3493OASNB12224.51677.02961.9151.0038.39BOATOM3494NGLUB12325.85877.50963.6601.0038.55BNATOM3495CAGLUB12327.06977.36962.8501.0037.57BCATOM3496CBGLUB12328.03278.55263.0561.0037.27BCATOM3497CGGLUB12328.45978.83064.4851.0039.05BCATOM3498CDGLUB12327.96780.18264.9771.0038.17BCATOM3499OE1GLUB12326.74180.34765.1171.0037.68BOATOM3500OE2GLUB12328.80281.08265.2201.0040.75BOATOM3501CGLUB12327.75076.04863.1821.0034.54BCATOM3502OGLUB12328.91976.00463.5491.0034.43BOATOM3503NGLUB12426.97774.97863.0321.0032.35BNATOM3504CAGLUB12427.37973.59963.2921.0034.24BCATOM3505CBGLUB12427.08572.73362.0631.0034.60BCATOM3506CGGLUB12425.70272.93761.4601.0039.99BCATOM3507CDGLUB12424.61773.22862.5021.0043.71BCATOM3508OE1GLUB12423.43572.93762.1991.0044.44BOATOM3509OE2GLUB12424.93573.75763.6051.0039.76BOATOM3510CGLUB12428.79573.29263.7801.0033.99BCATOM3511OGLUB12429.77973.90863.3661.0037.04BOATOM3512NTYRB12528.85372.29364.6571.0031.73BNATOM3513CATYRB12530.06071.77865.2881.0028.89BCATOM3514CBTYRB12530.68372.79466.2471.0025.95BCATOM3515CGTYRB12531.55073.89665.6811.0024.24BCATOM3516CD1TYRB12531.07475.20065.5861.0022.46BCATOM3517CE1TYRB12531.90376.23565.2231.0022.42BCATOM3518CD2TYRB12532.88773.66965.3801.0022.47BCATOM3519CE2TYRB12533.73074.70965.0151.0020.44BCATOM3520CZTYRB12533.23375.98864.9421.0024.51BCATOM3521OHTYRB12534.07377.03564.6151.0026.65BOATOM3522CTYRB12529.56070.63666.1631.0029.35BCATOM3523OTYRB12528.96970.90467.2081.0031.83BOATOM3524NTHRB12629.76069.38065.7821.0031.04BNATOM3525CATHRB12629.30168.30866.6701.0031.82BCATOM3526CBTHRB12629.96866.96466.3431.0033.45BCATOM3527OG1THRB12631.39367.09966.4341.0036.76BOATOM3528CG2THRB12629.58166.51164.9501.0033.07BCATOM3529CTHRB12629.75668.76268.0561.0030.11BCATOM3530OTHRB12630.82369.36168.1771.0029.09BOATOM3531NTRPB12728.96668.49369.0961.0029.92BNATOM3532CATRPB12729.33168.94870.4431.0027.38BCATOM3533CBTRPB12728.40068.34771.5031.0022.99BCATOM3534CGTRPB12728.50266.86871.7111.0020.52BCATOM3535CD2TRPB12729.35666.18972.6421.0019.37BCATOM3536CE2TRPB12729.03964.81472.5771.0019.08BCATOM3537CE3TRPB12730.35566.60973.5261.0020.00BCATOM3538CD1TRPB12727.73065.89771.1241.0022.04BCATOM3539NE1TRPB12728.04564.66371.6461.0018.75BNATOM3540CZ2TRPB12729.68563.86173.3641.0018.36BCATOM3541CZ3TRPB12730.99665.66274.3051.0018.13BCATOM3542CH2TRPB12730.65864.30274.2191.0018.64BCATOM3543CTRPB12730.78768.72470.8561.0027.11BCATOM3544OTRPB12731.26169.34871.8051.0025.48BOATOM3545NGLUB12831.49567.84770.1471.0026.94BNATOM3546CAGLUB12832.89367.58270.4561.0028.14BCATOM3547CBGLUB12833.34266.24269.8701.0032.58BCATOM3548CGGLUB12832.87865.01170.6241.0033.69BCATOM3549CDGLUB12831.61164.41970.0591.0035.90BCATOM3550OE1GLUB12831.18863.35470.5611.0040.13BOATOM3551OE2GLUB12831.03865.01069.1151.0037.58BOATOM3552CGLUB12833.83268.66869.9431.0028.98BCATOM3553OGLUB12834.85368.95370.5631.0031.28BOATOM3554NGLUB12933.49569.27268.8101.0029.63BNATOM3555CAGLUB12934.33870.31268.2311.0028.86BCATOM3556CBGLUB12934.38770.17866.6981.0031.73BCATOM3557CGGLUB12935.07168.91566.1601.0036.15BCATOM3558CDGLUB12935.30168.94464.6391.0039.21BCATOM3559OE1GLUB12935.71767.90464.0881.0041.42BOATOM3560OE2GLUB12935.08069.99663.9921.0039.83BOATOM3561CGLUB12933.88271.72268.5811.0028.21BCATOM3562OGLUB12934.67772.66668.5311.0030.14BOATOM3563NASPB13032.60871.86768.9391.0026.28BNATOM3564CAASPB13032.04173.18369.2521.0022.99BCATOM3565CBASPB13030.59073.00869.7201.0018.97BCATOM3566CGASPB13029.76274.28369.5981.0016.27BCATOM3567OD1ASPB13028.54374.17469.3621.0014.99BOATOM3568OD2ASPB13030.31075.39069.7521.0012.61BOATOM3569CASPB13032.86473.95070.2951.0023.11BCATOM3570OASPB13033.03873.50671.4281.0023.70BOATOM3571NPROB13133.38875.11969.9121.0023.86BNATOM3572CDPROB13133.24975.71268.5731.0024.14BCATOM3573CAPROB13134.20275.98170.7761.0024.27BCATOM3574CBPROB13134.58977.14069.8561.0022.37BCATOM3575CGPROB13134.47776.56968.4951.0023.73BCATOM3576CPROB13133.45476.49172.0021.0022.06BCATOM3577OPROB13134.07076.94172.9711.0020.25BOATOM3578NLEUB13232.12676.43571.9491.0022.76BNATOM3579CALEUB13231.29676.91973.0501.0021.73BCATOM3580CBLEUB13230.02877.58172.5081.0018.93BCATOM3581CGLEUB13230.29078.74771.5531.0018.36BCATOM3582CD1LEUB13228.96379.36171.1161.0016.68BCATOM3583CD2LEUB13231.16479.78172.2381.0012.83BCATOM3584CLEUB13230.91075.85674.0601.0021.26BCATOM3585OLEUB13230.17576.14174.9961.0024.67BOATOM3586NALAB13331.39974.63473.8761.0021.14BNATOM3587CAALAB13331.09873.55174.8091.0019.34BCATOM3588CBALAB13331.59872.22674.2501.0017.93BCATOM3589CALAB13331.75873.83076.1611.0017.85BCATOM3590OALAB13332.87174.37376.2211.0017.39BOATOM3591NGLYB13431.06873.45277.2361.0015.35BNATOM3592CAGLYB13431.58973.67178.5731.0014.42BCATOM3593CGLYB13432.38072.50179.1001.0012.81BCATOM3594OGLYB13432.62471.53478.3981.0014.63BOATOM3595NILEB13532.76172.58480.3621.0013.28BNATOM3596CAILEB13533.55071.53780.9941.0015.88BCATOM3597CBILEB13533.81671.89882.4511.0017.26BCATOM3598CG2ILEB13534.73070.86983.0871.0019.11BCATOM3599CG1ILEB13534.43573.29282.5111.0019.66BCATOM3600CD1ILEB13534.57973.83383.9091.0023.20BCATOM3601CILEB13532.95870.13480.9321.0016.69BCATOM3602OILEB13533.64969.19180.5511.0020.13BOATOM3603NILEB13631.68969.98381.3011.0015.13BNATOM3604CAILEB13631.07268.66681.2891.0011.64BCATOM3605CBILEB13629.54868.74581.5761.0010.42BCATOM3606CG2ILEB13628.88367.39681.3041.006.78BCATOM3607CG1ILEB13629.33369.13583.0431.0011.27BCATOM3608CD1ILEB13627.92669.59883.3761.0012.66BCATOM3609CILEB13631.33067.94079.9811.0010.93BCATOM3610OILEB13631.92266.86979.9801.0011.23BOATOM3611NPROB13730.90768.52378.8471.0014.85BNATOM3612CDPROB13730.17069.79478.7751.0016.19BCATOM3613CAPROB13731.08167.95577.5031.0014.86BCATOM3614CBPROB13730.52269.04876.5961.0014.73BCATOM3615CGPROB13729.50569.70277.4371.0015.60BCATOM3616CPROB13732.53967.62177.1491.0014.64BCATOM3617OPROB13732.84066.50476.7291.0016.40BOATOM3618NARGB13833.43268.59577.3161.0010.50BNATOM3619CAARGB13834.85068.41577.0081.0012.94BCATOM3620CBARGB13835.60969.72777.1901.009.46BCATOM3621CGARGB13835.19970.82676.2401.009.32BCATOM3622CDARGB13835.80072.13976.6901.0014.52BCATOM3623NEARGB13835.45373.24275.8101.0016.04BNATOM3624CZARGB13836.06373.49674.6591.0019.17BCATOM3625NH1ARGB13837.05672.71974.2531.0016.45BNATOM3626NH2ARGB13835.68074.52973.9141.0022.10BNATOM3627CARGB13835.50567.35077.8801.0015.14BCATOM3628OARGB13836.46466.69777.4701.0017.25BOATOM3629NTHRB13934.98467.18079.0851.0016.70BNATOM3630CATHRB13935.52866.20080.0131.0017.41BCATOM3631CBTHRB13935.02366.46981.4411.0015.52BCATOM3632OG1THRB13935.45267.77381.8411.0018.68BOATOM3633CG2THRB13935.57865.44382.4211.0012.34BCATOM3634CTHRB13935.17964.77379.6301.0017.92BCATOM3635OTHRB13936.02963.89079.6721.0017.76BOATOM3636NLEUB14033.92464.55079.2631.0020.04BNATOM3637CALEUB14033.47163.21978.8791.0021.48BCATOM3638CBLEUB14031.95763.22178.6631.0022.65BCATOM3639CGLEUB14031.14163.60579.9011.0021.83BCATOM3640CD1LEUB14029.66263.53279.5881.0022.80BCATOM3641CD2LEUB14031.48862.69381.0411.0018.53BCATOM3642CLEUB14034.17462.75077.6121.0022.42BCATOM3643OLEUB14034.50661.57177.4831.0020.68BOATOM3644NHISB14134.39563.68276.6841.0022.02BNATOM3645CAHISB14135.07063.37175.4291.0021.49BCATOM3646CBHISB14135.10464.61074.5311.0023.02BCATOM3647CGHISB14135.68164.36373.1721.0024.94BCATOM3648CD2HISB14136.65965.00372.4911.0025.57BCATOM3649ND1HISB14135.20463.38672.3271.0028.32BNATOM3650CE1HISB14135.85963.43971.1811.0026.04BCATOM3651NE2HISB14136.74764.41371.2551.0021.76BNATOM3652CHISB14136.48762.92175.7381.0020.63BCATOM3653OHISB14136.95161.89775.2411.0021.86BOATOM3654NGLNB14237.16263.69076.5831.0019.17BNATOM3655CAGLNB14238.52763.38576.9651.0019.12BCATOM3656CBGLNB14239.06664.48377.8811.0018.74BCATOM3657CGGLNB14239.30465.81077.1751.0021.72BCATOM3658CDGLNB14240.34965.69276.0661.0027.32BCATOM3659OE1GLNB14241.47565.24276.3061.0027.45BOATOM3660NE2GLNB14239.98166.09774.8491.0022.68BNATOM3661CGLNB14238.67262.02077.6301.0020.10BCATOM3662OGLNB14239.61861.29077.3391.0020.60BOATOM3663NILEB14337.73661.67178.5131.0021.45BNATOM3664CAILEB14337.78660.38279.2051.0019.48BCATOM3665CBILEB14336.54160.12880.0651.0018.76BCATOM3666CG2ILEB14336.48858.67680.4661.0021.05BCATOM3667CG1ILEB14336.57360.97981.3271.0020.98BCATOM3668CD1ILEB14335.31860.79982.1971.0016.97BCATOM3669CILEB14337.87659.23778.2131.0018.61BCATOM3670OILEB14338.70958.34778.3611.0017.15BOATOM3671NPHEB14437.00159.26177.2151.0018.47BNATOM3672CAPHEB14436.97158.22676.1951.0019.05BCATOM3673CBPHEB14435.71058.38075.3451.0017.56BCATOM3674CGPHEB14434.46357.94476.0511.0021.75BCATOM3675CD1PHEB14434.08856.61176.0571.0023.21BCATOM3676CD2PHEB14433.67758.86176.7371.0024.23BCATOM3677CE1PHEB14432.95356.19876.7321.0023.39BCATOM3678CE2PHEB14432.54358.45777.4131.0023.12BCATOM3679CZPHEB14432.17857.12677.4121.0024.11BCATOM3680CPHEB14438.20958.27675.3261.0019.37BCATOM3681OPHEB14438.83057.25675.0601.0020.27BOATOM3682NGLUB14538.56659.47574.8931.0019.70BNATOM3683CAGLUB14539.72859.67674.0501.0019.14BCATOM3684CBGLUB14539.83961.15973.7121.0023.32BCATOM3685CGGLUB14539.83561.48472.2321.0030.02BCATOM3686CDGLUB14541.23261.51171.6441.0032.94BCATOM3687OE1GLUB14541.85660.43571.5521.0034.33BOATOM3688OE2GLUB14541.71162.61271.2841.0034.33BOATOM3689CGLUB14541.00259.21374.7541.0020.48BCATOM3690OGLUB14541.78958.44974.2021.0020.86BOATOM3691NLYSB14641.19759.67575.9821.0020.59BNATOM3692CALYSB14642.38359.34576.7511.0020.94BCATOM3693CBLYSB14642.36760.12378.0651.0023.43BCATOM3694CGLYSB14643.70160.71878.4701.0030.29BCATOM3695CDLYSB14643.68662.23578.3151.0032.85BCATOM3696CELYSB14642.66862.85779.2521.0034.01BCATOM3697NZLYSB14642.43164.30978.9811.0037.35BNATOM3698CLYSB14642.54557.85577.0481.0022.12BCATOM3699OLYSB14643.57157.25976.7361.0024.37BOATOM3700NLEUB14741.52957.25677.6531.0022.43BNATOM3701CALEUB14741.57455.85078.0211.0021.91BCATOM3702CBLEUB14740.39555.53278.9461.0021.24BCATOM3703CGLEUB14740.33156.43180.1881.0022.12BCATOM3704CD1LEUB14739.10556.06981.0071.0025.32BCATOM3705CD2LEUB14741.60756.28781.0231.0017.26BCATOM3706CLEUB14741.59254.88976.8371.0023.93BCATOM3707OLEUB14742.23053.84076.8991.0026.66BOATOM3708NTHRB14840.88655.23275.7671.0022.66BNATOM3709CATHRB14840.86154.38874.5911.0022.70BCATOM3710CBTHRB14839.79854.87773.5691.0024.37BCATOM3711OG1THRB14838.48154.63974.0811.0027.07BOATOM3712CG2THRB14839.95454.15572.2511.0023.55BCATOM3713CTHRB14842.24154.46073.9421.0025.07BCATOM3714OTHRB14842.72853.47973.3821.0025.67B0ATOM3715NASPB14942.87755.62574.0331.0024.97BNATOM3716CAASPB14944.18355.82273.4251.0025.79BCATOM3717CBASPB14944.57857.29573.4711.0030.12BCATOM3718CGASPB14945.74457.61672.5441.0035.63BCATOM3719OD1ASPB14945.62357.34571.3251.0037.02BOATOM3720OD2ASPB14946.77658.13873.0271.0035.21BOATOM3721CASPB14945.27754.98074.0601.0027.85BCATOM3722OASPB14946.14154.45273.3571.0031.19BOATOM3723NASNB15045.26454.85275.3811.0027.11BNATOM3724CAASNB15046.27754.04376.0311.0027.67BCATOM372SCBASNB15046.67354.63977.3941.0026.27BCATOM3726CGASNB15045.50254.77978.3481.0025.85BCATOM3727OD1ASNB15044.65453.89478.4481.0027.23BOATOM3728ND2ASNB15045.46355.88879.0741.0025.93BNATOM3729CASNB15045.81752.59376.1891.0029.73BCATOM3730OASNB15046.50751.78176.8011.0031.84BOATOM3731NGLYB15144.64852.27975.6341.0030.76BNATOM3732CAGLYB15144.11550.92575.6951.0031.11BCATOM3733CGLYB15143.70050.37877.0501.0033.33BCATOM3734OGLYB15143.78449.16977.2761.0035.22BOATOM3735NTHRB15243.23851.24777.9481.0034.09BNATOM3736CATHRB15242.80350.82079.2791.0031.78BCATOM3737CBTHRB15242.74452.01580.2621.0031.96BCATOM3738OG1THRB15244.02152.66080.3251.0031.34BOATOM3739CG2THRB15242.35951.53881.6581.0031.59BCATOM3740CTHRB15241.41050.18579.2431.0031.33BCATOM3741OTHRB15240.55250.60678.4731.0033.47BOATOM3742NGLUB15341.19449.16580.0661.0030.61BNATOM3743CAGLUB15339.88648.52180.1491.0028.90BCATOM3744CBGLUB15340.01047.09880.7141.0027.86BCATOM3745CGGLUB15338.70146.30280.7181.0030.70BCATOM3746CDGLUB15338.86744.85981.1981.0033.07BCATOM3747OE1GLUB15339.69944.12880.6151.0034.44BOATOM3748OE2GLUB15338.16044.44882.1471.0031.30BOATOM3749CGLUB15339.12749.41681.1191.0026.91BCATOM3750OGLUB15339.53349.56682.2681.0027.21BOATOM3751NPHEB15438.03450.01680.6611.0026.38BNATOM3752CAPHEB15437.26650.92881.5161.0013.54BCATOM3753CBPHEB15437.82052.34781.3651.0021.73BCATOM3754CGPHEB15437.54252.95680.0161.0019.24BCATOM3755CD1PHEB15436.43453.77079.8211.0019.90BCATOM3756CD2PHEB15438.34852.66578.9291.0018.83BCATOM3757CE1PHEB15436.13154.28378.5651.0019.50BCATOM3758CE2PHEB15438.05453.17177.6671.0019.32BCATOM3759CZPHEB15436.94553.98177.4841.0018.95BCATOM3760CPHEB15435.78250.95981.1891.0021.47BCATOM3761OPHEB15435.36950.67680.0711.0021.81BOATOM3762NSERB15534.98351.31982.1831.0023.10BNATOM3763CASERB15533.53751.44382.0151.0020.67BCATOM3764CBSERB15532.78950.33382.7611.0019.80BCATOM3765OGSERB15532.96150.44484.1581.0023.37BOATOM3766CSERB15533.20652.79282.6161.0016.89BCATOM3767OSERB15533.79353.17883.6201.0017.26BOATOM3768NVALB15632.28453.50581.9801.0016.25BNATOM3769CAVALB15631.86154.82982.4191.0015.99BCATOM3770CBVALB15632.11255.89281.3231.0013.77BCATOM3771CG1VALB15631.47257.19881.7211.0012.35BCATOM3772CG2VALB15633.59456.09381.1081.0012.87BCATOM3773CVALB15630.38454.91482.7791.0017.74BCATOM3774OVALB15629.52654.43182.0401.0018.43BOATOM3775NLYSB15730.09155.52883.9221.0017.78BNATOM3776CALYSB15728.70855.72684.3341.0020.16BCATOM3777CBLYSB15728.26454.63885.3221.0020.30BCATOM3778CGLYSB15729.12754.45886.5331.0021.75BCATOM3779CDLYSB15728.68253.22087.2921.0026.88BCATOM3780CELYSB15729.60752.92188.4681.0032.38BCATOM3781NZLYSB15729.22551.65889.1801.0035.18BNATOM3782CLYSB15728.53257.13384.9241.0019.15BCATOM3783OLYSB15729.44857.67585.5371.0019.06BOATOM3784NVALB15827.35857.72184.7071.0018.32BNATOM3785CAVALB15827.05859.06385.1961.0017.90BCATOM3786CBVALB15826.85960.05284.0351.0017.79BCATOM3787CG1VALB15828.10560.09283.1561.0021.47BCATOM3788CG2VALB15825.62759.64983.2201.0017.20BCATOM3789CVALB15825.79159.13786.0341.0018.73BCATOM3790OVALB15824.99058.20686.0781.0020.65BOATOM3791NSERB15925.61560.27886.6821.0017.87BNATOM3792CASERB15924.44260.53787.4981.0017.50BCATOM3793CBSERB15924.61059.92788.8971.0017.71BCATOM3794OGSERB15925.61660.59389.6401.0023.82BOATOM3795CSERB15924.28362.05587.5901.0017.36BCATOM3796OSERB15925.25462.79987.4541.0016.96BOATOM3797NLEUB16023.05562.51287.8021.0019.16BNATOM3798CALEUB16022.78763.93987.9141.0020.16BCATOM3799CBLEUB16022.52664.56186.5391.0024.37BCATOM3800CGLEUB16022.31166.08286.5801.0025.91BCATOM3801CD1LEUB16023.59566.74987.0471.0027.41BCATOM3802CD2LEUB16021.91066.61685.2151.0026.05BCATOM3803CLEUB16021.58464.20588.7841.0020.60BCATOM3804OLEUB16020.45463.89488.4071.0019.72BOATOM3805NLEUB16121.81664.77089.9581.0021.44BNATOM3806CALEUB16120.69965.08990.8221.0022.44BCATOM3807CBLEUB16120.80664.37792.1681.0022.40BCATOM3808CGLEUB16121.98964.59893.1041.0021.76BCATOM3809CD1LEUB16122.33066.05493.2061.0020.10BCATOM3810CD2LEUB16121.62464.03094.4771.0022.51BCATOM3811CLEUB16120.63166.58791.0311.0024.39BCATOM3812OLEUB16121.56767.32890.7181.0023.37BOATOM3813NGLUB16219.50867.03891.5571.0025.76BNATOM3814CAGLUB16219.34568.45091.8051.0026.24BCATOM3815CBGLUB16218.33769.01890.8191.0028.54BCATOM3816CGGLUB16217.95770.46391.0651.0032.16BCATOM3817CDGLUB16216.83970.92090.1471.0030.55BCATOM3818OE1GLUB16217.04870.95488.9171.0031.49BOATOM3819OE2GLUB16215.75271.23390.6601.0029.76BOATOM3820CGLUB16218.86968.67893.2291.0025.59BCATOM3821OGLUB16217.84468.12493.6451.0024.17BOATOM3822NILEB16319.63569.46293.9851.0022.67BNATOM3823CAILEB16319.25269.79895.3471.0022.12BCATOM3824CBILEB16320.48470.10696.2471.0020.37BCATOM3825CG2ILEB16320.04770.25597.7031.0019.02BCATOM3826CG1ILEB16321.50468.97796.1681.0019.13BCATOM3827CD1ILEB16322.72169.21997.0261.0015.38BCATOM3828CILEB16318.40871.07495.2531.0022.77BCATOM3829OILEB16318.79972.04194.6111.0022.19BOATOM3830NTYRB16417.24671.07695.8801.0023.71BNATOM3831CATYRB16416.40472.26195.8631.0025.10BCATOM3832CBTYRB16415.44472.23294.6731.0025.51BCATOM3833CGTYRB16414.46373.37094.7251.0027.98BCATOM3834CD1TYRB16413.14173.15795.1071.0028.70BCATOM3835CE1TYRB16412.26574.21395.2601.0029.81BCATOM3836CD2TYRB16414.87874.67894.4901.0027.98BCATOM3837CE2TYRB16414.00975.74294.6441.0028.54BCATOM3838CZTYRB16412.70575.50395.0311.0029.87BCATOM3839OHTYRB16411.84376.55995.2051.0032.97BOATOM3840CTYRB16415.62372.37597.1651.0025.79BCATOM3841OTYRB16414.77371.54097.4741.0025.92BOATOM3842NASNB16515.93073.41297.9341.0028.14BNATOM3843CAASNB16515.27773.63899.2131.0029.81BCATOM3844CBASNB16513.78373.90299.0081.0033.30BCATOM3845CGASNB16513.05774.222100.3161.0038.14BCATOM3846OD1ASNB16513.53275.032101.1221.0037.15BOATOM3847NO2ASNB16511.89673.593100.5281.0037.72BNATOM3848CASNB16515.47072.438100.1301.0030.32BCATOM3849OASNB16514.51871.972100.7521.0033.01BOATOM3850NGLUB16616.70371.939100.2001.0030.55BNATOM3851CAGLUB16617.04270.796101.0391.0027.26BCATOM3852CBGLUB16616.45470.976102.4361.0030.85BCATOM3853CGGLUB16617.27271.881103.3241.0036.91BCATOM3854CDGLUB16618.65971.321103.5661.0041.36BCATOM3855OE1GLUB16619.37571.049102.5681.0043.05BOATOM3856OE2GLUB16619.03171.150104.7501.0041.36BOATOM3857CGLUB16616.61569.440100.4981.0026.94BCATOM3858OGLUB16616.90768.412101.1051.0025.10BOATOM3859NGLUB16715.92069.41399.3681.0025.49BNATOM3860CAGLUB16715.51068.12498.8341.0025.73BCATOM3861CBGLUB16714.04668.15398.4371.0025.91BCATOM3862CGGLUB16713.12568.50999.5761.0030.91BCATOM3863CDGLUB16711.71268.03399.3331.0036.44BCATOM3864OE1GLUB16711.38666.91099.7761.0038.31BOATOM3865OE2GLUB16710.93168.77398.6881.0039.64BOATOM3866CGLUB16716.36567.68797.6521.0025.32BCATOM3867OGLUB16717.02168.50697.0021.0027.05BOATOM3868NLEUB16816.36466.38597.3921.0022.49BNATOM3869CALEUB16817.13065.79796.3031.0019.66BCATOM3870CBLEUB16818.04164.70096.8481.0017.24BCATOM3871CGLEUB16819.31765.12697.5781.0016.09BCATOM3872CD1LEUB16819.16366.47298.2481.0012.39BCATOM3873CD2LEUB16819.65764.05398.5921.0015.51BCATOM3874CLEUB16816.19765.20995.2601.0020.41BCATOM3875OLEUB16815.24464.52195.6011.0021.20BOATOM3876NPHEB16916.47165.48293.9881.0022.13BNATOM3877CAPHEB16915.65264.96192.9001.0021.34BCATOM3878CBPHEB16914.79066.07892.3171.0022.97BCATOM3879CGPHEB16913.87666.72993.3291.0024.76BCATOM3880CD1PHEB16914.36567.65394.2371.0026.07BCATOM3881CD2PHEB16912.53166.40393.3811.0027.75BCATOM3882CE1PHEB16913.53168.24195.1801.0028.08BCATOM3883CE2PHEB16911.68966.98494.3191.0029.95BCATOM3884CZPHEB16912.18867.90595.2211.0028.91BCATOM3885CPHEB16916.56464.34991.8301.0024.15BCATOM3886OPHEB16917.68464.82591.6161.0024.30BOATOM3887NASPB17016.08763.28891.1711.0024.59BNATOM3888CAASPB17016.86862.57890.1541.0022.04BCATOM3889CBASPB17016.70261.06890.3311.0017.80BCATOM3890CGASPB17017.79560.27589.6471.0016.75BCATOM3891OD1ASPB17018.31260.71488.6001.0020.88BOATOM3892OD2ASPB17018.13059.19590.1521.0017.72BOATOM3893CASPB17016.48662.95188.7281.0022.24BCATOM3894OASPB17015.46362.49988.2111.0023.78BOATOM3895NLEUB17117.34063.73488.0811.0021.24BNATOM3896CALEUB17117.08664.18886.7221.0020.72BCATOM3897CBLEUB17117.93965.42286.4371.0018.70BCATOM3898CGLEUB17117.65366.53387.4551.0019.59BCATOM3899CD1LEUB17118.53667.74287.2061.0020.77BCATOM3900CD2LEUB17116.19066.91687.3631.0018.14BCATOM3901CLEUB17117.30463.14085.6371.0021.60BCATOM3902OLEUB17116.78463.27784.5281.0022.73BOATOM3903NLEUB17218.05762.09185.9491.0021.94BNATOM3904CALEUB17218.33561.03884.9751.0023.20BCATOM3905CBLEUB17219.79760.60885.0831.0019.60BCATOM3906CGLEUB17220.78661.36384.2041.0018.49BCATOM3907CD1LEUB17220.39762.81584.1531.0014.93BCATOM3908CD2LEUB17222.21061.17084.7211.0016.62BCATOM3909CLEUB17217.43459.81485.1201.0026.93BCATOM3910OLEUB17217.78758.72884.6711.0028.48BOATOM3911NASNB17316.27459.98685.7461.0030.19BNATOM3912CAASNB17315.34158.87985.9361.0033.52BCATOM3913CBASNB17314.86458.83387.3901.0033.76BCATOM3914CGASNB17313.97657.63187.6761.0036.85BCATOM3915OD1ASNB17313.14257.24486.8501.0039.76BOATOM3916ND2ASNB17314.14157.04288.8561.0035.42BNATOM3917CASNB17314.13159.01285.0201.0035.87BCATOM3918OASNB17313.39359.98985.0871.0037.15BOATOM3919NPROB17413.90558.01684.1571.0038.19BNATOM3920CDPROB17414.74356.82283.9781.0039.37BCATOM3921CAPROB17412.77758.01183.2171.0040.63BCATOM3922CBPROB17412.90056.64882.5381.0039.50BCATOM3923CGPROB17414.37756.39382.5781.0040.77BCATOM3924CPROB17411.41858.18883.9011.0042.23BCATOM3925OPROB17410.87559.29383.9431.0042.09BOATOM3926NSERB17510.88157.09484.4371.0043.47BNATOM3927CASERB1759.58457.11685.1031.0045.82BCATOM3928CBSERB1759.17255.70485.5251.0047.53BCATOM3929OGSERB17510.02755.19486.5351.0048.69BOATOM3930CSERB1759.55158.03486.3141.0047.52BCATOM3931OSERB17510.07559.14886.2781.0049.25BOATOM3932NSERB1768.91957.56687.3851.0049.97BNATOM3933CASERB1768.78858.36388.5981.0052.55BCATOM3934CBSERB17610.14358.93789.0131.0051.43BCATOM3935OGSERB17611.10857.91289.1431.0052.63BOATOM3936CSERB1767.81959.49888.2771.0054.47BCATOM3937OSERB1766.61059.26788.1441.0053.97BOATOM3938NASPB1778.36960.70988.1481.0056.02BNATOM3939CAASPB1777.61661.92987.8211.0057.92BCATOM3940CBASPB1776.10461.71387.9501.0056.58BCATOM3941CGASPB1775.62661.77589.3921.0055.26BCATOM3942OD1ASPB1774.41261.97889.6021.0056.06BOATOM3943OD2ASPB1776.46261.61890.3121.0053.12BOATOM3944CASPB1778.00463.09288.7331.0057.79BCATOM3945OASPB1777.13863.69289.3751.0058.89BOATOM3946NVALB1789.29163.42588.7791.0058.49BNATOM3947CAVALB1789.75864.50889.6431.0057.05BCATOM3948CBVALB1789.45965.91289.0231.0057.50BCATOM3949CG1VALB1789.87865.93387.5611.0054.90BCATOM3950CG2VALB1787.98166.26889.1651.0057.65BCATOM3951CVALB1789.03164.36090.9811.0056.49BCATOM3952OVALB1788.57963.26391.3201.0057.55BOATOM3953NSERB1798.91965.45291.7341.0054.12BNATOM3954CASERB1798.24465.45193.0361.0050.93BCATOM3955CBSERB1796.72865.34792.8471.0049.45BCATOM3956OGSERB1796.35364.05192.4201.0047.99BOATOM3957CSERB1798.71364.35194.0031.0048.65BCATOM3958OSERB1798.77664.57095.2131.0047.56BOATOM3959NGLUB1809.02563.17393.4691.0046.26BNATOM3960CAGLUB1809.49462.04894.2761.0044.62BCATOM3961CBGLUB1809.41360.75893.4551.0044.66BCATOM3962CGGLUB1809.83059.50494.1951.0046.68BCATOM3963CDGLUB1809.71758.24993.3361.0048.34BCATOM3964OE1GLUB18010.31958.21692.2361.0047.31BOATOM3965OE2GLUB1809.02857.29593.7651.0046.45BOATOM3966CGLUB18010.93762.30094.7271.0042.64BCATOM3967OGLUB18011.88062.13793.9491.0044.21BOATOM3968NARGB18111.09662.70395.9851.0038.57BNATOM3969CAARGB18112.40863.00596.5511.0035.41BCATOM3970CBARGB18112.25963.92497.7681.0034.13BCATOM3971CGARGB18111.53865.23197.4771.0036.13BCATOM3972CDARGB18110.02165.09797.5841.0037.35BCATOM3973NEARGB1819.55465.24698.9601.0038.48BNATOM3974CZARGB1818.28165.15599.3401.0041.00BCATOM3975NH1ARGB1817.32864.90898.4481.0041.40BNATOM3976NH2ARGB1817.96065.318100.6181.0041.22BNATOM3977CARGB18113.19961.76496.9551.0035.04BCATOM3978OARGB18112.63360.71697.2661.0034.00BOATOM3979NLEUB18214.51961.89596.9621.0033.59BNATOM3980CALEUB18215.37960.78397.3221.0032.60BCATOM3981CBLEUB18216.63460.78196.4511.0030.04BCATOM3982CGLEUB18216.36460.56694.9721.0027.16BCATOM3983CD1LEUB18217.66560.25294.2631.0028.31BCATOM3984CD2LEUB18215.39259.42694.8061.0026.58BCATOM3985CLEUB18215.78060.80198.7841.0032.42BCATOM3986OLEUB18215.86661.85399.4081.0033.21BOATOM3987NGLNB18316.03659.61999.3211.0033.99BNATOM3988CAGLNB18316.43359.486100.7121.0035.98BCATOM3989CBGLNB18315.66958.323101.3531.0040.69BCATOM3990CGGLNB18314.15858.402101.1171.0043.90BCATOM3991CDGLNB18313.38457.297101.8091.0045.84BCATOM3992OE1GLNB18312.18057.132101.5911.0047.38BOATOM3993NE2GLNB18314.06956.537102.6541.0044.55BNATOM3994CGLNB18317.93859.261100.7841.0034.46BCATOM3995OGLNB18318.51058.50299.9961.0032.17BOATOM3996NMETB18418.57659.934101.7311.0033.83BNATOM3997CAMETB18420.01459.833101.8881.0035.19BCATOM3998CBMETB18420.64361.185101.5571.0036.07BCATOM3999CGMETB18422.08761.330101.9881.0039.02BCATOM4000SDMETB18422.73862.964101.5921.0041.97BSATOM4001CEMETB18422.10163.937102.9361.0037.14BCATOM4002CMETB18420.42659.402103.2881.0035.44BCATOM4003OMETB18419.78759.778104.2701.0037.48BOATOM4004NPHEB18521.48658.603103.3781.0034.49BNATOM4005CAPHEB18521.98958.165104.6811.0035.54BCATOM4006CBPHEB18521.01257.182105.3441.0038.08BCATOM4007CGPHEB18520.47856.133104.4191.0039.17BCATOM4008CD1PHEB18521.31255.172103.8871.0039.69BCATOM4009CD2PHEB18519.13156.107104.0891.0039.72BCATOM4010CE1PHEB18520.81454.199103.0401.0041.82BCATOM4011CE2PHEB18518.62855.143103.2451.0039.84BCATOM4012CZPHEB18519.47354.184102.7191.0040.56BCATOM4013CPHEB18523.40557.584104.6811.0033.28BCATOM4014OPHEB18523.87657.053103.6821.0031.52BOATOM4015NASPB18624.07257.720105.8231.0033.11BNATOM4016CAASPB18625.44257.254106.0411.0033.57BCATOM4017CBASPB18625.76457.303107.5341.0034.22BCATOM4018CGASPB18625.67958.696108.0941.0035.72BCATOM4019OD1ASPB18625.71058.846109.3321.0036.35BOATOM4020OD2ASPB18625.58859.647107.2901.0039.04BOATOM4021CASPB18625.77055.861105.5091.0032.65BCATOM4022OASPB18625.01154.903105.6791.0029.34BOATOM4023NASPB18726.93355.758104.8821.0032.38BNATOM4024CAASPB18727.38054.502104.3071.0035.63BCATOM4025CBASPB18728.08954.764102.9841.0036.02BCATOM4026CGASPB18728.55953.487102.3191.0035.64BCATOM4027OD1ASPB18729.36953.574101.3761.0035.80BOATOM4028OD2ASPB18728.11652.395102.7371.0034.78BOATOM4029CASPB18728.31753.726105.2301.0037.07BCATOM4030OASPB18729.34154.243105.6741.0036.16BOATOM4031NPROB18827.97952.460105.5141.0039.09BNATOM4032CDPROB18826.71851.818105.1071.0039.89BCATOM4033CAPROB18828.75751.568106.3801.0041.61BCATOM4034CBPROB18827.94850.274106.3541.0040.56BCATOM4035CGPROB18826.54850.764106.1721.0042.27BCATOM4036CPROB18830.19251.359105.9021.0044.03BCATOM4037OPROB18830.45251.264104.7041.0043.71BOATOM4038NARGB18931.12251.279106.8451.0047.41BNATOM4039CAARGB18932.52951.078106.5061.0051.65BCATOM4040CBARGB18932.66150.016105.4101.0052.67BCATOM4041CGARGB18932.31448.598105.8421.0055.70BCATOM4042CDARGB18932.34447.621104.6761.0055.65BCATOM4043NEARGB18933.48647.861103.8021.0058.25BNATOM4044CZARGB18933.59448.904102.9781.0060.43BCATOM4045NH1ARGB18932.62249.815102.9061.0057.93BNATOM4046NH2ARGB18934.68149.043102.2261.0059.76BNATOM4047CARGB18933.17852.380106.0331.0052.71BCATOM4048OARGB18933.98752.987106.7491.0052.95BOATOM4049NASNB19032.82752.799104.8211.0051.71BNATOM4050CAASNB19033.37054.030104.2741.0050.25BCATOM4051CBASNB19033.24154.054102.7551.0050.97BCATOM4052CGASNB19033.64055.392102.1611.0051.16BCATOM4053OD1ASNB19033.55355.594100.9551.0055.22BOATOM4054ND2ASNB19034.08156.311103.0081.0049.87BNATOM4055CASNB19032.66455.249104.8421.0048.53BCATOM4056OASNB19031.78055.817104.2041.0047.07BOATOM4057NLYSB19133.05555.644106.0461.0048.31BNATOM4058CALYSB19132.47656.818106.6801.0047.75BCATOM4059CBLYSB19133.18357.074108.0151.0048.17BCATOM4060CGLYSB19132.64458.237108.8271.0050.02BCATOM4061CDLYSB19133.20158.214110.2441.0052.02BCATOM4062CELYSB19132.71056.989111.0191.0052.64BCATOM4063NZLYSB19133.06755.686110.3691.0051.34BNATOM4064CLYSB19132.73557.957105.6941.0047.46BCATOM4065OLYSB19133.19657.712104.5771.0049.47BOATOM4066NARGB19232.44259.192106.0771.0045.16BNATOM4067CAARGB19232.68860.302105.1661.0044.21BCATOM4068CBARGB19234.19160.431104.8951.0046.45BCATOM4069CGARGB19235.03460.756106.1151.0049.93BCATOM4070CDARGB19236.51660.883105.7641.0052.87BCATOM4071NEARGB19236.75761.776104.6321.0054.52BNATOM4072CZARGB19236.56461.441103.3581.0055.51BCATOM4073NH1ARGB19236.12860.227103.0461.0056.13BNATOM4074NH2ARGB19236.80462.319102.3911.0055.91BNATOM4075CARGB19231.95760.085103.8391.0041.97BCATOM4076OARGB19232.08160.888102.9111.0042.23BOATOM4077NGLYB19331.21058.988103.7511.0038.68BNATOM4078CAGLYB19330.47058.685102.5411.0033.43BCATOM4079CGLYB19328.98358.678102.8221.0030.94BCATOM4080OGLYB19328.57558.611103.9841.0030.25BOATOM4081NVALB19428.17458.757101.7691.0027.84BNATOM4082CAVALB19426.72458.757101.9211.0028.35BCATOM4083CBVALB19426.13960.176101.8671.0027.02BCATOM4084CG1VALB19426.84161.066102.8861.0028.40BCATOM4085CG2VALB19426.27960.744100.4581.0026.38BCATOM4086CVALB19426.10357.960100.7951.0028.61BCATOM4087OVALB19426.72057.78199.7471.0026.90BOATOM4088NILEB19524.88857.472101.0201.0029.05BNATOM4089CAILEB19524.17056.701100.0121.0029.20BCATOM4090CBILEB19523.91655.258100.4731.0030.08BCATOM4091CG2ILEB19522.85354.60999.5941.0026.30BCATOM4092CG1ILEB19525.22754.467100.4301.0030.79BCATOM4093CD1ILEB19525.10953.075101.0111.0033.69BCATOM4094CILEB19522.83057.34099.6921.0030.03BCATOM4095OILEB19522.00257.568100.5711.0030.60BOATOM4096NILEB19622.63057.63898.4201.0030.50BNATOM4097CAILEB19621.39758.24797.9741.0029.89BCATOM4098CBILEB19621.70259.41297.0161.0029.79BCATOM4099CG2ILEB19620.42960.17096.6741.0032.53BCATOM4100CG1ILEB19622.71760.34597.6771.0028.19BCATOM4101CD1ILEB19623.18861.46896.7921.0028.00BCATOM4102CILEB19620.66457.14297.2511.0026.77BCATOM4103OILEB19620.87456.93596.0651.0028.13BOATOM4104NLYSB19719.81356.42297.9701.0026.61BNATOM4105CALYSB19719.08455.31497.3631.0027.53BCATOM4106CBLYSB19718.30054.52798.4141.0028.97BCATOM4107CGLYSB19717.19755.31199.0901.0031.44BCATOM4108CDLYSB19716.18654.37199.7341.0033.94BCATOM4109CELYSB19716.86453.214100.4721.0033.82BCATOM4110NZLYSB19717.56552.28399.5301.0036.39BNATOM4111CLYSB19718.13455.73496.2561.0025.32BCATOM4112OLYSB19717.45856.75496.3481.0024.77BOATOM4113NGLYB19818.10054.91895.2101.0025.51BNATOM4114CAGLYB19817.24055.17194.0801.0025.05BCATOM4115CGLYB19817.95255.97293.0231.0028.10BCATOM4116OGLYB19817.53455.98091.8681.0030.84BOATOM4117NLEUB19919.03356.64793.4001.0028.44BNATOM4118CALEUB19919.75057.46392.4301.0027.25BCATOM4119CBLEUB19921.04558.03293.0171.0028.13BCATOM4120CGLEUB19921.70159.06992.0931.0024.35BCATOM4121CD1LEUB19920.72560.22191.8511.0025.05BCATOM4122CD2LEUB19922.98059.57992.7101.0019.45BCATOM4123CLEUB19920.07356.63591.2111.0026.49BCATOM4124OLEUB19920.58055.52391.3231.0029.59BOATOM4125NGLUB20019.76657.18890.0491.0025.84BNATOM4126CAGLUB20020.01156.53588.7721.0025.41BCATOM4127CBGLUB20019.09757.16187.7141.0028.35BCATOM4128CGGLUB20018.99856.40086.4031.0032.13BCATOM4129CDGLUB20018.13455.14786.5011.0032.95BCATOM4130OE1GLUB20018.51854.18787.2081.0031.60BOATOM4131OE2GLUB20017.06255.12685.8611.0034.68BOATOM4132CGLUB20021.48056.71788.3691.0024.85BCATOM4133OGLUB20022.01757.82388.4211.0022.95BOATOM4134NGLUB20122.13055.62887.9761.0025.07BNATOM4135CAGLUB20123.52355.70087.5641.0026.11BCATOM4136CBGLUB20124.42555.01288.5921.0026.95BCATOM4137CGGLUB20124.35055.65989.9681.0030.54BCATOM4138CDGLUB20125.53355.32290.8581.0032.96BCATOM4139OE1GLUB20125.67254.15091.2731.0033.33BOATOM4140OE2GLUB20126.33056.24191.1411.0035.54BOATOM4141CGLUB20123.70655.07486.1911.0025.37BCATOM4142OGLUB20124.16153.94186.0671.0027.40BOATOM4143NILEB20223.34855.84485.1681.0026.01BNATOM4144CAILEB20223.43355.42583.7761.0025.82BCATOM4145CBILEB20222.95056.54582.8191.0025.86BCATOM4146CG2ILEB20222.80455.99681.4231.0024.46BCATOM4147CG1ILEB20221.61557.12983.2941.0027.29BCATOM4148CD1ILEB20220.49056.13883.3301.0028.37BCATOM4149CILEB20224.84655.05583.3471.0027.62BCATOM4150OILEB20225.80555.76283.6561.0027.29BOATOM4151NTHRB20324.96153.94782.6211.0028.32BNATOM4152CATHRB20326.24053.48682.1141.0028.76BCATOM4153CBTHRB20326.29151.94582.0351.0029.56BCATOM4154OG1THRB20326.10951.39283.3461.0034.00BOATOM4155CG2THRB20327.63751.48081.4871.0031.47BCATOM4156CTHRB20326.38454.06380.7101.0029.64BCATOM4157OTHRB20325.46453.96479.9041.0031.95BOATOM4158NVALB20427.52754.68480.4321.0029.58BNATOM4159CAVALB20427.79055.27479.1241.0029.71BCATOM4160CBVALB20428.40756.68479.2661.0029.97BCATOM4161CG1VALB20428.39757.40877.9231.0029.69BCATOM4162CG2VALB20427.64757.47480.3131.0032.05BCATOM4163CVALB20428.77854.37078.3931.0030.37BCATOM4164OVALB20429.94154.26878.7801.0029.52BOATOM4165NHISB20528.31653.72377.3291.0030.25BNATOM4166CAHISB20529.16952.80576.5801.0031.14BCATOM4167CBHISB20528.31751.72575.8971.0028.36BCATOM4168CGHISB20527.27851.12176.7931.0028.60BCATOM4169CD2HISB20527.26849.96277.4941.0026.10BCATOM4170ND1HISB20526.09151.75877.0891.0026.93BNATOM4171CE1HISB20525.39551.01777.9321.0026.36BCATOM4172NE2HISB20526.08849.92378.1951.0026.42BNATOM4173CHISB20530.06053.46875.5441.0032.00BCATOM4174OHISB20531.15552.98075.2631.0032.84BOATOM4175NASNB20629.61254.57974.9741.0033.21BNATOM4176CAASNB20630.42455.23573.9601.0034.84BCATOM4177CBASNB20629.98654.77272.5731.0034.66BCATOM4178CGASNB20628.59355.22772.2251.0033.97BCATOM4179OD1ASNB20628.34456.41972.0581.0036.78BOATOM4180ND2ASNB20627.66954.27772.1141.0035.18BNATOM4181CASNB20630.41756.75374.0131.0035.69BCATOM4182OASNB20629.42957.37074.4081.0037.73BOATOM4183NLYSB20731.53057.34273.5891.0036.51BNATOM4184CALYSB20731.72058.79073.5811.0037.68BCATOM4185CBLYSB20733.10159.11373.0031.0038.80BCATOM4186CGLYSB20733.42160.59672.9131.0041.20BCATOM4187CDLYSB20734.38460.87871.7691.0043.48BCATOM4188CELYSB20733.78160.46970.4281.0047.33BCATOM4189NZLYSB20734.61960.89269.2611.0047.34BNATOM4190CLYSB20730.65359.58572.8181.0037.55BCATOM4191OLYSB20730.96360.59372.1781.0037.73BOATOM4192NASPB20829.40459.14272.8671.0037.36BNATOM4193CAASPB20828.35259.87772.1831.0038.86BCATOM4194CBASPB20828.51659.75870.6671.0041.88BCATOM4195CGASPB20828.63261.12269.9881.0043.54BCATOM4196OD1ASPB20827.64061.88270.0131.0046.59BOATOM4197OD2ASPB20829.71461.43869.4421.0040.73BOATOM4198CASPB20826.95959.44772.6041.0038.64BCATOM4199OASPB20825.96159.85772.0091.0039.61BOATOM4200NGLUB20926.90358.61473.6371.0037.55BNATOM4201CAGLUB20925.63758.14374.1841.0035.16BCATOM4202CBGLUB20925.81456.74574.7861.0034.97BCATOM4203CGGLUB20924.51456.02075.1151.0036.53BCATOM4204CDGLUB20924.75354.63275.6901.0039.10BCATOM4205OE1GLUB20925.46853.83375.0441.0038.05BOATOM4206OE2GLUB20924.22554.33676.7841.0038.30BOATOM4207CGLUB20925.33259.15875.2831.0034.21BCATOM4208OGLUB20924.21159.25075.7971.0032.86BOATOM4209NVALB21026.36359.92875.6221.0031.40BNATOM4210CAVALB21026.26660.94976.6481.0031.45BCATOM4211CBVALB21027.64461.63576.8791.0033.07BCATOM4212CG1VALB21028.73760.58077.0051.0035.64BCATOM4213CG2VALB21027.96562.57575.7431.0032.36BCATOM4214CVALB21025.23962.01176.2711.0029.51BCATOM4215OVALB21024.38762.37777.0741.0030.57BOATOM4216NTYRB21125.31762.48975.0371.0027.68BNATOM4217CATYRB21124.42463.52574.5571.0026.69BCATOM4218CBTYRB21124.60763.71273.0561.0025.77BCATOM4219CGTYRB21123.84664.89772.5091.0023.15BCATOM4220CD1TYRB21122.48564.81272.2261.0022.04BCATOM4221CE1TYRB21121.77965.91671.7611.0021.37BCATOM4222CD2TYRB21124.48266.11572.3091.0020.57BCATOM4223CE2TYRB21123.79067.21771.8411.0022.33BCATOM4224CZTYRB21122.44367.11771.5701.0023.40BCATOM4225OHTYRB21121.77468.23171.1111.0027.17BOATOM4226CTYRB21122.94463.31074.8471.0029.11BCATOM4227OTYRB21122.26064.20975.3441.0026.74BOATOM4228NGLNB21222.43762.12674.5291.0032.31BNATOM4229CAGLNB21221.02461.85974.7491.0034.13BCATOM4230CBGLNB21220.58560.64973.9311.0036.57BCATOM4231CGGLNB21220.93959.31674.5361.0042.06BCATOM4232CDGLNB21220.85958.20373.5131.0043.87BCATOM4233OE1GLNB21220.74957.03173.8671.0044.53BOATOM4234NE2GLNB21220.93158.56772.2311.0042.63BNATOM4235CGLNB21220.69761.65776.2231.0032.71BCATOM4236OGLNB21219.58961.96076.6711.0032.43BOATOM4237NILE821321.65561.14876.9841.0031.21BNATOM4238CAILEB21321.41460.96278.4081.0030.83BCATOM4239CBILEB21322.58160.20879.0741.0029.85BCATOM4240CG2ILEB21322.35960.12080.5751.0025.89BCATOM4241CG1ILEB21322.68658.80678.4781.0032.17BCATOM4242CD1ILEB21323.81657.97779.0581.0035.82BCATOM4243CILEB21321.22262.32579.0931.0030.08BCATOM4244OILEB21320.34262.48879.9421.0028.99BOATOM4245NLEUB21422.03963.30478.7091.0026.87BNATOM4246CALEUB21421.95064.63479.2881.0025.28BCATOM4247CBLEUB21423.26665.37779.0901.0023.79BCATOM4248CGLEUB21424.37164.88680.0221.0026.94BCATOM4249CD1LEUB21425.69065.49079.6151.0027.61BCATOM4250CD2LEUB21424.03265.25181.4611.0025.91BCATOM4251CLEUB21420.79365.43478.6981.0025.90BCATOM4252OLEUB21420.14366.21279.4021.0020.34BOATOM4253NGLUB21520.53765.24377.4081.0026.54BNATOM4254CAGLUB21519.43965.94376.7571.0028.21BCATOM4255CBGLUB21519.32365.52675.2931.0031.04BCATOM4256CGGLUB21518.20466.23174.5401.0034.94BCATOM4257CDGLUB21518.12765.80773.0851.0038.91BCATOM4258OE1GLUB21518.00964.58272.8381.0040.02BOATOM4259OE2GLUB21518.18566.69372.1961.0039.04BOATOM4260CGLUB21518.15765.59377.4981.0027.93BCATOM4261OGLUB21517.32166.45577.7511.0027.90BOATOM4262NLYSB21618.00664.32377.8521.0027.64BNATOM4263CALYSB21616.82563.89478.5911.0028.80BCATOM4264CBLYSB21616.81162.37278.7641.0027.39BCATOM4265CGLYSB21615.70961.68477.9841.0028.84BCATOM4266CDLYSB21615.63160.20478.3101.0029.98BCATOM4267CELYSB21616.79359.43277.7051.0031.07BCATOM4268NZLYSB21616.72859.39076.2171.0031.81BNATOM4269CLYSB21616.88564.56779.9551.0029.26BCATOM4270OLYSB21615.85864.93480.5391.0029.34BOATOM4271NGLYB21718.10664.73480.4531.0028.04BNATOM4272CAGLYB21718.29665.37781.7401.0027.73BCATOM4273CGLYB21717.81766.81881.7421.0027.09BCATOM4274OGLYB21717.20967.27782.7071.0024.49BOATOM4275NALAB21818.09567.54380.6631.0025.94BNATOM4276CAALAB21817.66868.92980.5791.0026.01BCATOM4277CBALAB21818.25169.58479.3381.0023.70BCATOM4278CALAB21816.14668.96680.5411.0026.18BCATOM4279OALAB21815.51169.81181.1681.0027.26BOATOM4280NALAB21915.56268.02879.8111.0025.01BNATOM4281CAALAB21914.11667.95879.6971.0026.18BCATOM4282CBALAB21913.71866.75478.8601.0025.30BCATOM4283CALAB21913.50767.85281.0841.0027.86BCATOM4284OALAB21912.78268.74281.5311.0027.67BOATOM4285NLYSB22013.81166.74981.7601.0028.18BNATOM4286CALYSB22013.31466.49583.1021.0029.65BCATOM4287CBLYSB22014.03565.27483.6791.0031.09BCATOM4288CGLYSB22013.45864.75584.9811.0034.84BCATOM4289CDLYSB22012.98063.31284.8421.0037.10BCATOM4290CELYSB22011.86463.17683.7991.0037.37BCATOM4291NZLYSB22011.22861.81483.8001.0036.27BNATOM4292CLYSB22013.53367.71684.0021.0029.23BCATOM4293OLYSB22012.67668.06484.8271.0026.26BOATOM4294NARGB22114.68568.36183.8251.0030.30BNATOM4295CAARGB22115.05769.54584.5971.0030.85BCATOM4296CBARGB22116.40270.09784.1021.0033.27BCATOM4297CGARGB22117.31370.64185.2051.0031.91BCATOM4298CDARGB22118.08471.89384.7801.0030.28BCATOM4299NEARGB22118.74671.79783.4761.0027.97BNATOM4300CZARGB22120.05971.66783.2961.0025.03BCATOM4301NH1ARGB22120.87971.60584.3291.0024.30BNATOM4302NH2ARGB22120.56071.62582.0721.0027.37BNATOM4303CARGB22113.99770.62684.4331.0029.51BCATOM4304OARGB22113.54871.22585.4001.0028.25BOATOM4305NTHRB22213.61070.86983.1861.0029.13BNATOM4306CATHRB22212.62271.88282.8711.0028.92BCATOM4307CBTHRB22212.57072.13681.3451.0030.71BCATOM4308OG1THRB22213.85872.57880.8821.0028.81BOATOM4309CG2THRB22211.52873.20281.0211.0032.15BCATOM4310CTHRB22211.23271.49683.3771.0028.78BCATOM4311OTHRB22210.47472.34883.8521.0029.45BOATOM4312NTHRB22310.89570.21483.2851.0027.18BNATOM4313CATHRB2239.59569.75283.7471.0027.05BCATOM4314CBTHRB2239.41968.24083.5021.0028.22BCATOM4315OG1THRB2239.04168.01882.1361.0030.04BOATOM4316CG2THRB2238.35667.66284.4281.0024.59BCATOM4317CTHRB2239.39070.04585.2301.0028.40BCATOM4318OTHRB2238.35870.59685.6301.0028.85BOATOM4319NALAB22410.37369.67986.0441.0027.97BNATOM4320CAALAB22410.30869.89687.4861.0029.11BCATOM4321CBALAB22411.59369.39388.1351.0030.29BCATOM4322CALAB22410.07471.35787.8741.0030.20BCATOM4323OALAB2249.23971.65688.7361.0029.06BOATOM4324NALAB22510.82772.25387.2391.0031.17BNATOM4325CAALAB22510.73773.68987.4891.0032.99BCATOM4326CBALAB22511.80474.41586.6811.0029.49BCATOM4327CALAB2259.36474.28987.1711.0036.04BCATOM4328OALAB2258.95975.27687.7811.0036.32BOATOM4329NTHRB2268.65773.69386.2161.0037.97BNATOM4330CATHRB2267.35174.19485.7991.0040.38BCATOM4331CBTHRB2267.12573.92284.2901.0041.69BCATOM4332OG1THRB2268.15674.56383.5221.0043.89BOATOM4333CG2THRB2265.77174.45783.8461.0043.14BCATOM4334CTHRB2266.17373.60486.5761.0040.97BCATOM4335OTHRB2265.02573.98886.3581.0042.25BOATOM4336NLEUB2276.45372.68687.4931.0039.99BNATOM4337CALEUB2275.39472.03888.2471.0037.62BCATOM4338CBLEUB2275.34070.55687.8831.0035.54BCATOM4339CGLEUB2275.02470.27586.4151.0033.04BCATOM4340CD1LEUB2275.07568.78186.1571.0033.61BCATOM4341CD2LEUB2273.65670.84186.0711.0029.64BCATOM4342CLEUB2275.55072.17789.7441.0039.00BCATOM4343OLEUB2274.57272.08890.4931.0037.85BOATOM4344NMETB2286.78272.37990.1911.0039.08BNATOM4345CAMETB2287.03572.52791.6121.0036.77BCATOM4346CBMETB2287.80171.32492.1241.0036.29BCATOM4347CGMETB2287.12770.03291.7551.0040.56BCATOM4348SDMETB2287.88568.65092.5761.0043.69BSATOM4349CEMETB2289.47868.57891.6661.0041.78BCATOM4350CMETB2287.82573.78591.8531.0035.66BCATOM4351OMETB2288.37973.99492.9211.0036.56BOATOM4352NASNB2297.86874.63590.8441.0036.58BNATOM4353CAASNB2298.60875.87190.9671.0037.73BCATOM4354CBASNB2297.81876.88291.8081.0040.79BCATOM4355CGASNB2296.59677.42291.0731.0045.26BCATOM4356OD1ASNB2295.99678.41691.4921.0048.06BOATOM4357ND2ASNB2296.22176.76989.9711.0046.34BNATOM4358CASNB2299.98275.60291.5791.0035.72BCATOM4359OASNB22910.32076.11592.6431.0034.31BOATOM4360NALAB23010.75674.76690.8891.0033.50BNATOM4361CAALAB23012.11874.42491.2841.0029.78BCATOM4362CBALAB23012.31772.92591.2521.0027.89BCATOM4363CALAB23013.03575.10090.2621.0028.58BCATOM4364OALAB23013.66574.44789.4391.0029.02BOATOM4365NTYRB23113.08676.42390.3321.0028.05BNATOM4366CATYRB23113.88177.24289.4331.0029.75BCATOM4367CBTYRB23113.61678.71089.7721.0029.12BCATOM4368CGTYRB23112.13579.00189.8201.0030.63BCATOM4369CD1TYRB23111.24878.25789.0591.0030.83BCATOM4370CE1TYRB2319.90278.53589.0551.0029.72BCATOM4371CD2TYRB23111.62280.04190.5841.0031.95BCATOM4372CE2TYRB23110.25880.33390.5741.0030.26BCATOM4373CZTYRB2319.40979.57289.8001.0030.16BCATOM4374OHTYRB2318.06479.86089.7331.0034.30BOATOM4375CTYRB23115.37476.92089.4911.0029.64BCATOM4376OTYRB23115.96876.90790.5691.0030.34BOATOM4377NSERB23215.96776.67288.3231.0027.96BNATOM4378CASERB23217.38076.32088.2281.0026.90BCATOM4379CBSERB23217.79276.12886.7561.0023.60BCATOM4380OGSERB23218.22577.34186.1581.0025.66BOATOM4381CSERB23218.28977.35088.8901.0027.27BCATOM4382OSERB23219.35577.00589.4131.0026.77BOATOM4383NSERB23317.87478.61188.8801.0024.64BNATOM4384CASERB23318.70079.63889.4881.0025.20BCATOM4385CBSERB23318.18881.03189.1101.0027.81BCATOM4386OGSERB23318.25481.24687.7091.0026.86BOATOM4387CSERB23318.71879.48191.0031.0022.37BCATOM4388OSERB23319.58080.03091.6771.0021.96BOATOM4389NARGB23417.77678.70991.5311.0021.88BNATOM4390CAARGB23417.67978.50092.9771.0023.55BCATOM4391CBARGB23416.25078.78393.4311.0024.44BCATOM4392CGARGB23415.84680.23093.2311.0028.77BCATOM4393CDARGB23414.35180.36093.0791.0033.33BCATOM4394NEARGB23413.97081.71092.6781.0036.63BNATOM4395CZARGB23414.10282.78593.4511.0037.20BCATOM4396NH1ARGB23414.60482.67694.6771.0033.90BNATOM4397NH2ARGB23413.73683.97492.9931.0038.33BNATOM4398CARGB23418.10677.12393.4831.0022.75BCATOM4399OARGB23417.82776.76494.6211.0021.42BOATOM4400NSERB23518.79676.35692.6491.0023.02BNATOM4401CASERB23519.21475.03293.0691.0024.50BCATOM4402CBSERB23518.22073.98792.5451.0026.40BCATOM4403OGSERB23517.85274.24591.2051.0027.30BOATOM4404CSERB23520.63474.65492.6791.0022.43BCATOM4405OSERB23521.26975.33191.8721.0022.90BOATOM4406NHISB23621.13473.57693.2811.0021.12BNATOM4407CAHISB23622.48573.09893.0021.0017.07BCATOM4408CBHISB23623.19372.64294.2761.0017.18BCATOM4409CGHISB23623.17373.65395.3781.0018.53BCATOM4410CD2HISB23622.73073.57496.6551.0018.08BCATOM4411ND1HISB23623.64874.93495.2171.0020.67BNATOM4412CE1HISB23623.49875.60196.3461.0020.76BCATOM4413NE2HISB23622.94374.79997.2351.0019.64BNATOM4414CHISB23622.38471.93292.0591.0014.58BCATOM4415OHISB23621.53371.07392.2171.0017.52BOATOM4416NSERB23723.25571.91591.0661.0014.10BNATOM4417CASERB23723.28270.84690.0931.0013.25BCATOM4418CBSERB23723.30571.42788.6791.0012.04BCATOM4419OGSERB23723.48370.40687.7121.0017.19BOATOM4420CSERB23724.54970.04990.3461.0015.78BCATOM4421OSERB23725.64970.56890.2081.0017.33BOATOM4422NVALB23824.40868.79390.7411.0016.91BNATOM4423CAVALB23825.59667.98790.9771.0016.55BCATOM4424CBVALB23825.60367.37192.3811.0017.15BCATOM4425CG1VALB23826.92066.66392.6251.0016.52BCATOM4426CG2VALB23825.38668.45493.4191.0019.91BCATOM4427CVALB23825.69966.87389.9551.0017.16BCATOM4428OVALB23824.94665.89089.9941.0019.90BOATOM4429NPHEB23926.62767.04289.0221.0014.72BNATOM4430CAPHEB23926.85066.03887.9901.0015.04BCATOM4431CBPHEB23927.08666.72486.6381.0016.44BCATOM4432CGPHEB23927.54765.78985.5551.0016.89BCATOM4433CD1PHEB23928.89565.63585.2831.0014.81BCATOM4434CD2PHEB23926.63565.02584.8411.0016.05BCATOM4435CE1PHEB23929.32264.74184.3251.0011.47BCATOM4436CE2PHEB23927.06464.12783.8821.0013.44BCATOM4437CZPHEB23928.40463.98883.6271.0013.26BCATOM4438CPHEB23928.06165.19288.3961.0013.42BCATOM4439OPHEB23929.09165.73688.7921.009.48BOATOM4440NSERB24027.92663.87088.3191.0011.51BNATOM4441CASERB24029.02062.97888.6861.0012.08BCATOM4442CBSERB24028.70762.22489.9791.0012.25BCATOM4443OGSERB24028.82263.05591.1111.0013.21BOATOM4444CSERB24029.33961.95587.6301.0012.08BCATOM4445OSERB24028.45261.40487.0051.0012.57BOATOM4446NVALB24130.62361.71087.4331.0012.24BNATOM4447CAVALB24131.05560.69286.4951.0014.05BCATOM4448CBVALB24131.62061.30985.1851.0014.57BCATOM4449CG1VALB24132.83062.17285.4771.0014.92BCATOM4450CG2VALB24131.97160.20384.1951.0014.37BCATOM4451CVALB24132.11959.85187.2141.0016.04BCATOM4452OVALB24133.06260.38287.8031.0011.15BOATOM4453NTHRB24231.93058.53787.2001.0017.42BNATOM4454CATHRB24232.86657.62987.8441.0018.97BCATOM4455CBTHRB24232.13856.73288.8491.0018.82BCATOM4456OG1THRB24231.41357.55489.7731.0020.40BOATOM4457CG2THRB24233.13155.87689.6191.0016.85BCATOM4458CTHRB24233.52356.75886.7881.0020.54BCATOM4459OTHRB24232.87756.32885.8401.0021.64BOATOM4460NILEB24334.81456.50886.9261.0022.60BNATOM4461CAILEB24335.48555.65885.9511.0024.57BCATOM4462CBILEB24336.59956.41485.1851.0025.78BCATOM4463CG2ILEB24337.23655.48884.1661.0026.85BCATOM4464CG1ILEB24336.02957.63384.4591.0024.91BCATOM4465CD1ILEB24335.64958.75785.3711.0025.90BCATOM4466CILEB24336.12654.42386.5881.0023.38BCATOM4467OILEB24336.93254.55387.5031.0024.57BOATOM4468NHISB24435.74653.23786.1161.0021.59BNATOM4469CAHISB24436.34151.98986.5961.0021.09BCATOM4470CBHISB24435.29750.86486.6871.0019.77BCATOM4471CGHISB24434.54250.84287.9831.0022.90BCATOM4472CD2HISB24434.62050.00489.0451.0023.38BCATOM4473ND1HISB24433.60551.79588.3191.0022.93BNATOM4474CE1HISB24433.14151.54989.5311.0021.38BCATOM4475NE2HISB24433.74250.46789.9931.0024.74BNATOM4476CHISB24437.40951.65285.5541.0020.81BCATOM4477OHISB24437.10251.40484.3791.0021.04BOATOM4478NMETB24538.66751.66685.9801.0020.58BNATOM4479CAMETB24539.77851.40385.0691.0022.28BCATOM4480CBMETB24540.63152.66184.9121.0021.44BCATOM4481CGMETB24539.85053.93184.6671.0022.16BCATOM4482SDMETB24540.91955.39584.7541.0023.62BSATOM4483CEMETB24541.06655.59486.5311.0020.34BCATOM4484CMETB24540.69350.27485.5051.0023.45BCATOM4485OMETB24540.89550.04286.6971.0025.99BOATOM4486NLYSB24641.25649.58784.5201.0026.51BNATOM4487CALYSB24642.18448.49184.2681.0029.07BCATOM4488CBLYSB24641.44947.14884.7671.0029.28BCATOM4489CGLYSB24642.34945.97485.0981.0034.15BCATOM4490CDLYSB24641.56844.67885.2761.0035.85BCATOM4491CELYSB24642.49843.55585.7321.0040.03BCATOM4492NZLYSB24641.78742.27286.0121.0041.21BNATOM4493CLYSB24643.23048.49883.6641.0030.47BCATOM4494OLYSB24642.89048.36582.4911.0030.14BOATOM4495NGLUB24744.49648.67384.0271.0030.62BNATOM4496CAGLUB24745.54948.67383.0221.0034.02BCATOM4497CBGLUB24746.24750.03282.9581.0036.35BCATOM4498CGGLUB24746.38750.74184.2801.0044.18BCATOM4499CDGLUB24747.05952.09184.1261.0048.18BCATOM4500OE1GLUB24747.04652.87885.1021.0049.92BOATOM4501OE2GLUB24747.60452.35883.0291.0047.92BOATOM4502CGLUB24746.57747.56383.2051.0033.62BCATOM4503OGLUB24747.11247.35784.2941.0032.66BOATOM4504NTHRB24846.84146.85282.1091.0033.51BNATOM4505CATHRB24847.78345.74182.0941.0032.18BCATOM4506CBTHRB24847.08944.44181.6391.0033.50BCATOM4507OG1THRB24846.03144.11082.5451.0035.14BOATOM4508CG2THRB24848.07443.29781.6141.0034.79BCATOM4509CTHRB24848.96645.98681.1641.0031.51BCATOM4510OTHRB24848.79446.39080.0151.0032.35BOATOM4511NTHRB24950.16345.72481.6741.0032.97BNATOM4512CATHRB24951.40445.89480.9201.0033.74BCATOM4513CBTHRB24952.21047.12381.4221.0032.82BCATOM4514OG1THRB24951.55848.33681.0151.0034.38BOATOM4515CG2THRB24953.62347.08980.8671.0032.80BCATOM4516CTHRB24952.24144.64081.1501.0033.28BCATOM4517OTHRB24952.68244.39882.2701.0035.85BOATOM4518NILEB25052.45543.84280.1051.0031.41BNATOM4519CAILEB25053.23742.60980.2381.0029.74BCATOM4520CBILEB25053.52341.98078.8661.0027.04BCATOM4521CG2ILEB25054.43540.78279.0171.0024.00BCATOM4522CG1ILEB25052.21041.53878.2201.0025.44BCATOM4523CD1ILEB25052.35241.06176.7911.0024.26BCATOM4524CILEB25054.55742.85780.9571.0032.83BCATOM4525OILEB25055.27243.80880.6481.0034.21BOATOM4526NASPB25154.88141.99381.9171.0037.23BNATOM4527CAASPB25156.11042.14282.7021.0039.56BCATOM4528CBASPB25157.36641.99781.8221.0039.28BCATOM4529CGASPB25157.52340.60281.2401.0037.22BCATOM4530OD1ASPB25157.18039.62781.9351.0034.38BOATOM4531OD2ASPB25158.00340.48280.0931.0037.59BOATOM4532CASPB25156.08443.53983.3031.0041.43BCATOM4533OASPB25157.08644.25683.2821.0043.84BOATOM4534NGLYB25254.92243.92083.8211.0040.90BNATOM4535CAGLYB25254.76345.23884.4071.0042.54BCATOM4536CGLYB25253.72445.20285.5051.0043.38BCATOM4537OGLYB25253.16144.14385.7971.0042.27BOATOM4538NGLUB25353.46446.35386.1161.0043.55BNATOM4539CAGLUB25352.49446.42887.1991.0043.75BCATOM4540CBGLUB25352.80447.63688.0901.0045.15BCATOM4541CGGLUB25351.97747.73589.3741.0047.37BCATOM4542CDGLUB25352.20946.57490.3321.0047.00BCATOM4543OE1GLUB25351.98646.75691.5491.0046.13BOATOM4544OE2GLUB25352.60345.48089.8691.0047.02BOATOM4545CGLUB25351.07446.52986.6521.0042.76BCATOM4546OGLUB25350.79947.33585.7611.0044.02BOATOM4547NGLUB25450.18145.68987.1701.0041.06BNATOM4548CAGLUB25448.78345.70786.7501.0039.43BCATOM4549CBGLUB25448.15244.32486.9021.0038.86BCATOM4550CGGLUB25446.72244.26686.3951.0041.79BCATOM4551CDGLUB25446.06542.92486.6301.0041.81BCATOM4552OE1GLUB25445.81842.58487.8041.0039.08BOATOM4553OE2GLUB25445.79542.21085.6401.0045.15BOATOM4554CGLUB25448.06046.70787.6511.0038.26BCATOM4555OGLUB25448.15646.63488.8811.0035.57BOATOM4556NLEUB25547.34147.64687.0501.0036.72BNATOM4557CALEUB25546.65948.65287.8451.0034.06BCATOM4558CBLEUB25547.19450.04487.4951.0035.43BCATOM4559CGLEUB25548.56050.38688.1001.0037.99BCATOM4560CD1LEUB25549.06551.69787.5331.0037.38BCATOM4561CD2LEUB25548.43250.46889.6191.0039.23BCATOM4562CLEUB25545.15048.65387.7481.0031.87BCATOM4563OLEUB25544.57848.69886.6621.0031.89BOATOM4564NVALB25644.51348.59888.9111.0029.69BNATOM4565CAVALB25643.06448.62889.0081.0026.19BCATOM4566CBVALB25642.51947.37089.6811.0023.99BCATOM4567CG1VALB25641.07147.57090.0571.0021.69BCATOM4568CG2VALB25642.65146.19988.7361.0026.53BCATOM4569CVALB25642.69749.84089.8471.0025.61BCATOM4570OVALB25643.06949.93691.0151.0024.53BOATOM4571NLYSB25741.97650.77789.2461.0023.95BNATOM4572CALYSB25741.59651.97389.9741.0021.48BCATOM4573CBLYSB25742.65253.06789.7741.0021.75BCATOM4574CGLYSB25743.28353.12088.3901.0019.65BCATOM4575CDLYSB25744.38654.17288.3641.0018.78BCATOM4576CELYSB25745.25554.09187.1041.0020.78BCATOM4577NZLYSB25744.51154.27285.8301.0019.03BNATOM4578CLYSB25740.22752.49989.6181.0019.15BCATOM4579OLYSB25739.69052.19688.5601.0019.08BOATOM4580NILEB25839.66453.28190.5291.0018.25BNATOM4581CAILEB25838.35453.88490.3341.0019.93BCATOM4582CBILEB25837.35253.39691.3961.0019.62BCATOM4583CG2ILEB25836.06354.18691.3031.0019.26BCATOM4584CG1ILEB25837.08251.90491.2031.0021.90BCATOM4585CD1ILEB25836.29351.26792.3491.0018.05BCATOM4586CILEB25838.50555.39590.4531.0019.64BCATOM4587OILEB25838.99055.89291.4721.0021.57BOATOM4588NGLYB25938.10656.11689.4081.0018.14BNATOM4589CAGLYB25938.20957.56789.4231.0018.61BCATOM4590CGLYB25936.83758.21089.4871.0017.76BCATOM4591OGLYB25935.83357.56889.1681.0018.67BOATOM4592NLYSB26036.77659.47289.8921.0016.34BNATOM4593CALYSB26035.49160.14589.9851.0018.12BCATOM4594CBLYSB26034.73059.63891.2111.0019.03BCATOM4595CGLYSB26033.36160.25691.3671.0022.50BCATOM4596CDLYSB26032.52659.44592.3351.0026.15BCATOM4597CELYSB26031.06459.87992.3301.0024.70BCATOM4598NZLYSB26030.22558.92293.1241.0026.07BNATOM4599CLYSB26035.57561.66490.0401.0016.87BCATOM4600OLYSB26036.34062.21390.8201.0016.21BOATOM4601NLEUB26134.77562.33089.2111.0017.10BNATOM4602CALEUB26134.73863.78789.1691.0014.79BCATOM4603CBLEUB26135.29464.30787.8371.0015.10BCATOM4604CGLEUB26135.41765.84487.7541.0019.62BCATOM4605CD1LEUB26136.25366.35588.9191.0019.09BCATOM4606CD2LEUB26136.05366.27086.4541.0014.62BCATOM4607CLEUB26133.31964.34789.3691.0014.72BCATOM4608OLEUB26132.36463.93188.7021.0010.69BOATOM4609NASNB26233.19365.29090.2991.0014.37BNATOM4610CAASNB26231.91165.93690.5691.0014.42BCATOM4611CBASNB26231.64866.04792.0671.0015.45BCATOM4612CGASNB26231.87964.75492.7861.0017.34BCATOM4613OD1ASNB26232.93864.54193.3761.0023.50BOATOM4614ND2ASNB26230.89763.86692.7311.0012.33BNATOM4615CASNB26231.96267.33789.9861.0013.98BCATOM4616OASNB26232.87568.10190.2781.0015.43BOATOM4617NLEUB26330.98367.66889.1571.0013.50BNATOM4618CALEUB26330.93468.98188.5451.0013.87BCATOM4619CBLEUB26330.96568.81887.0291.0015.01BCATOM4620CGLEUB26332.20468.01886.5841.009.60BCATOM4621CD1LEUB26332.18767.80885.0951.0013.20BCATOM4622CD2LEUB26333.45168.76186.9731.0010.27BCATOM4623CLEUB26329.66269.65789.0481.0014.94BCATOM4624OLEUB26328.55469.30888.6521.0017.32BOATOM4625NVALB26429.84970.62989.9371.0014.36BNATOM4626CAVALB26428.75971.33790.5851.0015.08BCATOM4627CBVALB26429.04171.39992.1031.0015.92BCATOM4628CG1VALB26427.80471.84892.8601.0015.03BCATOM4629CG2VALB26429.51270.03492.5891.0015.10BCATOM4630CVALB26428.43672.75590.0971.0015.33BCATOM4631OVALB26429.28073.64690.1501.0014.33BOATOM4632NASPB26527.19972.94589.6351.0014.75BNATOM4633CAASPB26526.67774.23889.1731.0014.11BCATOM4634CBASPB26525.77974.04887.9371.0015.44BCATOM4635CGASPB26525.44275.37387.2331.0020.13BCATOM4636OD1ASPB26525.29976.41587.9161.0023.16BOATOM4637OD2ASPB26525.30675.38185.9931.0018.29BOATOM4638CASPB26525.82374.71990.3641.0013.70BCATOM4639OASPB26524.69974.25890.5561.0012.68BOATOM4640NLEUB26626.35975.63391.1651.0012.40BNATOM4641CALEUB26625.66076.10892.3551.0013.14BCATOM4642CBLEUB26626.66376.71793.3301.009.43BCATOM4643CGLEUB26627.78175.82593.8591.0011.81BCATOM4644CD1LEUB26628.83176.70394.5361.0010.63BCATOM4645CD2LEUB26627.21874.78294.8331.0011.01BCATOM4646CLEUB26624.53877.11692.1301.0015.82BCATOM4647OLEUB26624.54377.88391.1501.0017.45BOATOM4648NALAB26723.57877.12093.0541.0014.80BNATOM4649CAALAB26722.47278.07192.9871.0015.90BCATOM4650CBALAB26721.53077.87494.1611.0015.23BCATOM4651CALAB26723.08679.46693.0371.0015.60BCATOM4652OALAB26724.05479.69493.7541.0016.32BOATOM4653NGLYB26822.53180.39492.2691.0018.41BNATOM4654CAGLYB26823.06281.74592.2531.0018.72BCATOM4655CGLYB26823.31182.26393.6531.0020.65BCATOM4656OGLYB26822.62681.86994.5971.0020.05BOATOM4657NSERB26924.29683.14393.7881.0023.42BNATOM4658CASERB26924.64583.71495.0811.0027.09BCATOM4659CBSERB26926.12484.08795.0731.0023.34BCATOM4660OGSERB26926.53484.47593.7751.0015.79BOATOM4661CSERB26923.76884.92595.3981.0030.96BCATOM4662OSERB26924.03486.03994.9531.0030.66BOATOM4663NGLUB27022.72084.68896.1851.0038.56BNATOM4664CAGLUB27021.76685.73696.5541.0045.56BCATOM4665CBGLUB27021.04586.19795.2871.0043.73BCATOM4666CGGLUB27020.73985.03194.3411.0046.18BCATOM4667CDGLUB27020.74285.41892.8661.0044.02BCATOM4668OE1GLUB27019.84386.17692.4421.0043.06BOATOM4669OE2GLUB27021.64784.95792.1371.0039.18BOATOM4670CGLUB27020.75985.24197.6031.0049.77BCATOM4671OGLUB27020.99784.23098.2711.0049.02BOATOM4672NARGB28119.65285.97297.7541.0054.80BNATOM4673CAARGB28118.57885.63198.7031.0059.48BCATOM4674CBARGB28118.13284.17298.4791.0058.54BCATOM4675CGARGB28116.62183.98698.2551.0055.90BCATOM4676CDARGB28115.81984.08699.5581.0055.86BCATOM4677NEARGB28114.37383.96899.3431.0056.44BNATOM4678CZARGB28113.46083.945100.3161.0055.68BCATOM4679NH1ARGB28113.83084.029101.5871.0055.50BNATOM4680NH2ARGB28112.17083.844100.0191.0054.89BNATOM4681CARGB28118.92385.873100.1931.0062.67BCATOM4682OARGB28120.07185.693100.6161.0062.71BOATOM4683NALAB28217.91486.273100.9751.0065.54BNATOM4684CAALAB28218.08086.584102.4011.0067.98BCATOM4685CBALAB28217.36287.893102.7201.0066.69BCATOM4686CALAB28217.66485.512103.4241.0069.99BCATOM4687OALAB28218.52884.836103.9911.0070.15BOATOM4688NARGB28316.35885.367103.6771.0071.34BNATOM4689CAARGB28315.87384.383104.6591.0072.73BCATOM4690CBARGB28314.62084.910105.3761.0073.04BCATOM4691CGARGB28313.96983.888106.3201.0072.71BCATOM4692CDARGB28315.01383.167107.1801.0071.94BCATOM4693NEARGB28314.47981.983107.8551.0069.52BNATOM4694CZARGB28315.23281.035108.4101.0069.25BCATOM4695NH1ARGB28316.55681.125108.3711.0067.04BNATOM4696NH2ARGB28314.66579.994109.0081.0068.70BNATOM4697CARGB28315.60882.950104.1661.0073.38BCATOM4698OARGB28315.07082.123104.9081.0073.65BOATOM4699NGLUB28415.97082.654102.9201.0074.27BNATOM4700CAGLUB28415.80381.301102.3881.0074.16BCATOM4701CBGLUB28415.69481.321100.8591.0073.94BCATOM4702CGGLUB28415.47779.948100.2311.0075.90BCATOM4703CDGLUB28415.43779.98998.7041.0076.96BCATOM4704OE1GLUB28415.16378.93598.0851.0076.44BOATOM4705OE2GLUB28415.68281.07098.1211.0076.44BOATOM4706CGLUB28417.07580.565102.8001.0074.27BCATOM4707OGLUB28417.18379.346102.6731.0074.02BOATOM4708NALAB28518.03181.345103.3011.0073.99BNATOM4709CAALAB28519.33280.857103.7481.0072.81BCATOM4710CBALAB28519.93381.835104.7701.0074.63BCATOM4711CALAB28519.25579.462104.3431.0071.13BCATOM4712OALAB28519.85278.526103.8101.0070.58BOATOM4713NGLYB28618.52879.332105.4521.0070.47BNATOM4714CAGLYB28618.38278.037106.0941.0068.38BCATOM4715CGLYB28618.05776.983105.0541.0066.36BCATOM4716OGLYB28617.96075.791105.3631.0065.92BOATOM4717NASNB28717.89377.439103.8121.0063.20BNATOM4718CAASNB28717.57676.575102.6841.0059.06BCATOM4719CBASNB28716.05676.437102.5381.0060.31BCATOM4720CGASNB28715.32576.514103.8731.0060.82BCATOM4721OD1ASNB28715.34377.549104.5461.0060.20BOATOM4722ND2ASNB28714.67475.418104.2601.0061.57BNATOM4723CASNB28718.14977.166101.3941.0055.99BCATOM4724OASNB28717.43677.280100.3961.0055.75BOATOM4725NILEB28819.42477.552101.4201.0052.70BNATOM4726CAILEB28820.08778.124100.2451.0050.33BCATOM4727CBILEB28819.17079.10599.4851.0052.23BCATOM4728CG2ILEB28818.71180.224100.4091.0052.30BCATOM4729CG1ILEB28819.92479.69798.2901.0053.57BCATOM4730CD1ILEB28820.51378.66297.3601.0053.55BCATOM4731CILEB28821.37978.852100.5901.0049.17BCATOM4732OILEB28822.46678.320100.3811.0050.37BOATOM4733NASNB28921.27880.073101.1081.0047.01BNATOM4734CAASNB28922.48980.800101.4631.0043.90BCATOM4735CBASNB28922.17982.241101.9021.0046.81BCATOM4736CGASNB28922.77783.295100.9481.0050.12BCATOM4737OD1ASNB28923.86983.106100.4011.0049.87BOATOM4738ND2ASNB28922.06884.411100.7661.0048.06BNATOM4739CASNB28923.19380.050102.5851.0041.52BCATOM4740OASNB28924.41780.080102.6901.0042.73BOATOM4741NGLNB29022.42579.362103.4211.0036.75BNATOM4742CAGLNB29023.03678.615104.5061.0035.31BCATOM4743CBGLNB29021.97178.015105.4271.0040.36BCATOM4744CGGLNB29022.44877.736106.8621.0045.77BCATOM4745CDGLNB29023.27476.465106.9991.0049.06BCATOM4746OE1GLNB29023.65276.071108.1091.0048.63BOATOM4747NE2GLNB29023.55475.812105.8741.0051.35BNATOM4748CGLNB29023.89477.515103.9131.0031.00BCATOM4749OGLNB29025.00077.263104.3891.0029.79BOATOM4750NSERB29123.39376.862102.8691.0028.12BNATOM4751CASERB29124.16275.793102.2391.0026.03BCATOM4752CBSERB29123.31275.023101.2151.0022.16BCATOM4753OGSERB29122.77975.868100.2201.0021.59BOATOM4754CSERB29125.42876.353101.5911.0024.06BCATOM4755OSERB29126.51075.792101.7691.0025.15BOATOM4756NLEUB29225.30977.458100.8561.0022.28BNATOM4757CALEUB29226.48678.060100.2351.0023.33BCATOM4758CBLEUB29226.10079.27099.3841.0021.79BCATOM4759CGLEUB29225.39579.00298.0501.0022.99BCATOM4760CD1LEUB29225.00080.32297.4111.0021.70BCATOM4761CD2LEUB29226.30678.20697.1271.0019.57BCATOM4762CLEUB29227.46778.496101.3171.0026.21BCATOM4763OLEUB29228.68078.367101.1381.0028.29BOATOM4764NLEUB29326.94279.018102.4321.0026.17BNATOM4765CALEUB29327.77079.451103.5561.0023.99BCATOM4766CBLEUB29326.92080.117104.6431.0027.99BCATOM4767CGLEUB29326.90081.649104.7711.0030.69BCATOM4768CD1LEUB29328.21682.233104.2581.0030.43BCATOM4769CD2LEUB29325.71782.215103.9941.0030.19BCATOM4770CLEUB29328.50878.263104.1641.0022.11BCATOM4771OLEUB29329.70078.343104.4371.0024.60BOATOM4772NTHRB29427.79777.162104.3931.0022.72BNATOM4773CATHRB29428.42675.963104.9451.0023.03BCATOM4774CBTHRB29427.44874.765104.9861.0020.18BCATOM4775OG1THRB29426.32175.082105.8121.0018.94BOATOM4776CG2THRB29428.14673.539105.5411.0017.49BCATOM4777CTHRB29429.59375.587104.0301.0022.98BCATOM4778OTHRB29430.74075.475104.4721.0023.56BOATOM4779NLEUB29529.29075.411102.7481.0019.28BNATOM4780CALEUB29530.30475.061101.7681.0019.89BCATOM4781CBLEUB29529.76475.258100.3531.0018.96BCATOM4782CGLEUB29530.79574.98199.2631.0017.85BCATOM4783CD1LEUB29531.20973.51199.3301.0022.07BCATOM4784CD2LEUB29530.21575.33097.8941.0017.74BCATOM4785CLEUB29531.54875.916101.9551.0021.33BCATOM4786OLEUB29532.67075.398102.0461.0018.27BOATOM4787NGLYB29631.34077.232102.0111.0020.60BNATOM4788CAGLYB29632.45078.148102.1821.0019.66BCATOM4789CGLYB29633.24377.844103.4331.0020.75BCATOM4790OGLYB29634.47477.905103.4371.0022.93BOATOM4791NARGB29732.54677.507104.5061.0020.08BNATOM4792CAARGB29733.23777.206105.7461.0023.65BCATOM4793CBARGB29732.22877.185106.8931.0024.72BCATOM4794CGARGB29731.80278.590107.3101.0024.91BCATOM4795CDARGB29730.41878.618107.9101.0024.80BCATOM4796NEARGB29730.24077.566108.9061.0029.88BNATOM4797CZARGB29731.02377.399109.9701.0031.41BCATOM4798NH1ARGB29732.04878.219110.1801.0031.30BNATOM4799NH2ARGB29730.78376.411110.8241.0030.91BNATOM4800CARGB29734.01875.900105.6581.0024.89BCATOM4801OARGB29735.08475.763106.2601.0025.19BOATOM4802NVALB29833.49574.943104.8971.0025.36BNATOM4803CAVALB29834.17973.668104.7221.0025.90BCATOM4804CBVALB29833.27772.634104.0041.0026.72BCATOM4805CG1VALB29834.04671.350103.7811.0022.92BCATOM4806CG2VALB29832.02972.361104.8311.0027.29BCATOM4807CVALB29835.45973.847103.8971.0025.99BCATOM4808OVALB29836.48573.231104.1791.0027.75BOATOM4809NILEB29935.39374.697102.8791.0026.60BNATOM4810CAILEB29936.54574.941102.0141.0027.49BCATOM4811CBILEB29936.15575.740100.7581.0027.45BCATOM4812CG2ILEB29937.39876.03599.9351.0029.46BCATOM4813CG1ILEB29935.16174.93899.9151.0025.99BCATOM4814CD1ILEB29935.68773.58099.4911.0025.02BCATOM4815CILEB29937.64575.701102.7321.0028.82BCATOM4816OILEB29938.83475.418102.5511.0027.67BOATOM4817NTHRB30037.24876.681103.5341.0030.45BNATOM4818CATHRB30038.21277.468104.2881.0031.31BCATOM4819CBTHRB30037.52178.627105.0301.0033.48BCATOM4820OG1THRB30036.77279.415104.0951.0033.01BOATOM4821CG2THRB30038.55479.510105.7191.0031.98BCATOM4822CTHRB30038.90976.557105.3041.0031.60BCATOM4823OTHRB30040.13176.603105.4541.0033.56BOATOM4824NALAB30138.13175.726105.9921.0030.19BNATOM4825CAALAB30138.69274.800106.9671.0031.24BCATOM4826CBALAB30137.58773.969107.5911.0032.43BCATOM4827CALAB30139.73273.884106.3211.0031.84BCATOM4828OALAB30140.73573.553106.9411.0033.31BOATOM4829NLEUB30239.49673.475105.0781.0030.99BNATOM4830CALEUB30240.44072.600104.3851.0030.61BCATOM4831CBLEUB30239.81072.011103.1281.0027.52BCATOM4832CGLEUB30238.54671.174103.2801.0030.79BCATOM4833CD1LEUB30238.09370.726101.8891.0028.89BCATOM4834CD2LEUB30238.81369.968104.1781.0029.51BCATOM4835CLEUB30241.70273.349103.9871.0032.21BCATOM4836OLEUB30242.76672.750103.8181.0032.80BOATOM4837NVALB30341.58174.662103.8071.0035.09BNATOM4838CAVALB30342.73375.477103.4351.0037.35BCATOM4839CBVALB30342.31376.784102.7481.0037.61BCATOM4840CG1VALB30343.50077.740102.6871.0036.16BCATOM4841CG2VALB30341.81176.491101.3461.0038.43BCATOM4842CVALB30343.54775.834104.6671.0038.44BCATOM4843OVALB30344.77275.729104.6631.0037.69BOATOM4844NGLUB30442.85276.258105.7181.0039.31BNATOM4845CAGLUB30443.49676.628106.9731.0042.03BCATOM4846CBGLUB30442.52977.442107.8341.0043.25BCATOM4847CGGLUB30441.64178.409107.0551.0044.22BCATOM4848CDGLUB30442.35979.674106.6271.0046.94BCATOM4849OE1GLUB30443.46579.558106.0581.0048.45BOATOM4850OE2GLUB30441.81380.782106.8521.0045.01BOATOM4851CGLUB30443.88875.352107.7231.0043.14BCATOM4852OGLUB30444.57475.399108.7431.0044.25BOATOM4853NARGB30543.43974.213107.2091.0043.56BNATOM4854CAARGB30543.72072.928107.8231.0044.20BCATOM4855CBARGB30545.22672.674107.8851.0045.46BCATOM4856CGARGB30545.92472.792106.5501.0048.05BCATOM4857CDARGB30547.35972.301106.6231.0050.93BCATOM4858NEARGB30548.12072.712105.4461.0053.39BNATOM4859CZARGB30549.35772.310105.1711.0053.81BCATOM4860NH1ARGB30549.98271.476105.9901.0051.90BNATOM4861NH2ARGB30549.97172.748104.0771.0055.11BNATOM4862CARGB30543.13272.848109.2241.0044.24BCATOM4863OARGB30543.76572.327110.1411.0045.62BOATOM4864NTHRB30641.92873.381109.3941.0043.64BNATOM4865CATHRB30641.26273.317110.6861.0043.21BCATOM4866CBTHRB30639.94374.125110.6751.0044.25BCATOM4867OG1THRB30640.22875.502110.3961.0045.12BOATOM4868CG2THRB30639.23574.019112.0211.0043.62BCATOM4869CTHRB30640.95171.835110.8951.0043.12BCATOM4870OTHRB30640.47971.162109.9781.0043.22BOATOM4871NPROB30741.23971.298112.0921.0041.84BNATOM4872CDPROB30741.84771.938113.2711.0038.68BCATOM4873CAPROB30740.96269.879112.3481.0040.14BCATOM4874CBPROB30741.52369.665113.7541.0039.05BCATOM4875CGPROB30741.41271.024114.3781.0038.62BCATOM4876CPROB30739.48169.525112.2351.0038.93BCATOM4877OPROB30739.12568.369111.9881.0039.42BOATOM4878NHISB30838.62470.529112.4011.0037.67BNATOM4879CAHISB30837.18070.327112.3171.0036.93BCATOM4880CBHISB30836.49570.864113.5731.0033.85BCATOM4881CGHISB30835.02571.092113.4031.0035.42BCATOM4882CD2HISB30833.96370.285113.6431.0034.13BCATOM4883ND1HISB30834.50772.272112.9101.0037.98BNATOM4884CE1HISB30833.18872.183112.8581.0037.41BCATOM4885NE2HISB30832.83270.987113.2971.0033.17BNATOM4886CHISB30836.55670.976111.0881.0035.46BCATOM4887OHISB30836.51372.203110.9751.0038.95BOATOM4888NVALB30936.07370.135110.1771.0032.41BNATOM4889CAVALB30935.42970.574108.9421.0028.19BCATOM4890CBVALB30936.13569.956107.7231.0027.83BCATOM4891CG1VALB30937.54970.503107.6101.0029.22BCATOM4892CG2VALB30936.20768.457107.8781.0027.93BCATOM4893CVALB30933.95870.139108.9951.0026.22BCATOM4894OVALB30933.64368.951109.0251.0024.85BOATOM4895NPROB31033.04171.115109.0261.0024.04BNATOM4896CDPROB31033.46972.528109.0101.0024.94BCATOM4897CAPROB31031.57671.014109.0901.0023.48BCATOM4898CBPROB31031.15272.466109.3141.0024.69BCATOM4899CGPROB31032.21073.242108.5861.0024.77BCATOM4900CPROB31030.77170.361107.9511.0025.12BCATOM4901OPROB31029.72570.884107.5641.0026.41BOATOM4902NTYRB31131.20969.216107.4411.0024.37BNATOM4903CATYRB31130.47868.563106.3521.0024.77BCATOM4904CBTYRB31131.11767.228105.9901.0023.65BCATOM4905CGTYRB31132.55267.310105.5491.0022.56BCATOM4906CD1TYRB31133.57666.964106.4141.0023.19BCATOM4907CE1TYRB31134.88967.010106.0161.0022.82BCATOM4908CD2TYRB31132.88567.713104.2641.0022.00BCATOM4909CE2TYRB31134.20367.764103.8541.0022.18BCATOM4910CZTYRB31135.20167.410104.7401.0024.23BCATOM4911OHTYRB31136.52367.451104.3661.0025.23BOATOM4912CTYRB31129.00768.299106.6451.0026.63BCATOM4913OTYRB31128.15168.508105.7881.0029.19BOATOM4914NARGB31228.72667.811107.8491.0027.88BNATOM4915CAARGB31227.37167.477108.2811.0026.70BCATOM4916CBARGB31227.40566.916109.7051.0030.55BCATOM4917CGARGB31227.42365.405109.8101.0032.17BCATOM4918CDARGB31226.22064.809109.0991.0033.70BCATOM4919NEARGB31225.99863.399109.4321.0036.50BNATOM4920CZARGB31226.96062.480109.5391.0035.56BCATOM4921NH1ARGB31228.23562.812109.3501.0034.20BNATOM4922NH2ARGB31226.64461.218109.8061.0029.51BNATOM4923CARGB31226.34568.603108.2561.0026.41BCATOM4924OARGB31225.14268.345108.1861.0025.90BOATOM4925NGLUB31326.80069.849108.3141.0025.53BNATOM4926CAGLUB31325.85970.962108.3531.0024.52BCATOM4927CBGLUB31326.59572.252108.7311.0027.17BCATOM4928CGGLUB31327.05872.278110.1751.0029.55BCATOM4929CDGLUB31327.84073.531110.5171.0036.42BCATOM4930OE1GLUB31327.28674.642110.3411.0037.85BOATOM4931OE2GLUB31329.00673.403110.9661.0038.92BOATOM4932CGLUB31324.97571.199107.1331.0021.30BCATOM4933OGLUB31324.04271.979107.2131.0024.22BOATOM4934NSERB31425.24570.549106.0111.0019.20BNATOM4935CASERB31424.39570.743104.8341.0018.29BCATOM4936CBSERB31424.87571.942103.9971.0018.56BCATOM4937OGSERB31425.88771.587103.0681.0017.95BOATOM4938CSERB31424.36969.483103.9761.0017.91BCATOM4939OSERB31425.25168.627104.0821.0017.71BOATOM4940NLYSB31523.34869.364103.1421.0016.72BNATOM4941CALYSB31523.20868.204102.2721.0018.10BCATOM4942CBLYSB31521.87568.254101.5351.0017.88BCATOM4943CGLYSB31520.70068.514102.4371.0022.11BCATOM4944CDLYSB31520.35767.271103.2111.0023.03BCATOM4945CELYSB31519.77166.243102.2781.0026.01BCATOM4946NZLYSB31518.57266.792101.5911.0025.27BNATOM4947CLYSB31524.32868.224101.2441.0019.37BCATOM4948OLYSB31524.96167.206100.9751.0019.90BOATOM4949NLEUB31624.55569.400100.6711.0019.13BNATOM4950CALEUB31625.58169.58799.6591.0019.00BCATOM4951CBLEUB31625.66471.06599.2661.0016.76BCATOM4952CGLEUB31626.77671.45198.2911.0017.33BCATOM4953CD1LEUB31626.59670.72096.9941.0018.63BCATOM4954CD2LEUB31626.74972.94598.0491.0021.38BCATOM4955CLEUB31626.95569.106100.1021.0021.24BCATOM4956OLEUB31627.57368.29599.4271.0024.93BOATOM4957NTHRB31727.43669.603101.2351.0022.17BNATOM4958CATHRB31728.75669.231101.7241.0021.92BCATOM4959CBTHRB31729.22170.185102.8461.0023.22BCATOM4960OG1THRB31728.17170.341103.8131.0021.70BOATOM4961CG2THRB31729.59571.542102.2641.0021.66BCATOM4962CTHRB31728.84467.797102.2341.0022.94BCATOM4963OTHRB31729.89967.165102.1581.0021.47BOATOM4964NARGB31827.74367.287102.7671.0024.14BNATOM4965CAARGB31827.72665.920103.2791.0025.44BCATOM4966CBARGB31826.44565.694104.0951.0026.56BCATOM4967CGARGB31826.01564.251104.2441.0027.63BCATOM4968CDARGB31826.65363.545105.4111.0030.64BCATOM4969NEARGB31825.89562.334105.7251.0034.42BNATOM4970CZARGB31824.59562.322106.0261.0035.76BCATOM4971NH1ARGB31823.90663.458106.0591.0033.17BNATOM4972NH2ARGB31823.97661.173106.2801.0035.70BNATOM4973CARGB31827.79564.968102.0841.0023.24BCATOM4974OARGB31828.37963.886102.1531.0025.34BOATOM4975NILEB31927.20565.395100.9781.0021.76BNATOM4976CAILEB31927.19764.60299.7601.0019.72BCATOM4977CBILEB31926.09665.08898.8151.0014.42BCATOM4978CG2ILEB31926.19564.36397.4901.0012.55BCATOM4979CG1ILEB31924.73064.87099.4701.0013.14BCATOM4980CD1ILEB31923.54965.27098.6151.0010.82BCATOM4981CILEB31928.55164.63099.0271.0019.56BCATOM4982OILEB31928.96063.62898.4311.0017.68BOATOM4983NLEUB32029.24865.76599.0821.0017.95BNATOM4984CALEUB32030.54565.88898.4111.0020.97BCATOM4985CBLEUB32030.66967.26497.7551.0019.20BCATOM4986CGLEUB32029.61867.56996.6921.0019.80BCATOM4987CD1LEUB32029.80168.98596.1951.0019.89BCATOM4988CD2LEUB32029.73766.57695.5491.0017.14BCATOM4989CLEUB32031.74765.65699.3311.0022.94BCATOM4990OLEUB32032.90565.82398.9161.0018.99BOATOM4991NGLNB32131.46065.261100.5701.0025.33BNATOM4992CAGLNB32132.48765.007101.5811.0027.51BCATOM4993CBGLNB32131.83564.619102.9071.0027.61BCATOM4994CGGLNB32132.83964.342104.0041.0029.44BCATOM4995CDGLNB32132.18763.911105.2961.0029.87BCATOM4996OE1GLNB32132.85963.742106.3071.0031.96BOATOM4997NE2GLNB32130.87363.724105.2691.0029.69BNATOM4998CGLNB32133.49463.928101.1971.0028.32BCATOM4999OGLNB32134.69364.059101.4471.0025.77BOATOM5000NASPB32233.01562.855100.5901.0030.09BNATOM5001CAASPB32233.92761.792100.2091.0030.34BCATOM5002CBASPB32233.21960.71499.4031.0032.26BCATOM5003CGASPB32233.98059.41899.4121.0034.90BCATOM5004OD1ASPB32235.23059.47899.4501.0036.79BOATOM5005OD2ASPB32233.33558.34899.3791.0037.65BOATOM5006CASPB32235.05462.35499.3731.0028.09BCATOM5007OASPB32236.21462.04699.5891.0030.48BOATOM5008NSERB32334.70363.18198.4041.0028.37BNATOM5009CASERB32335.69863.78097.5301.0028.03BCATOM5010CBSERB32335.02964.38896.3101.0029.61BCATOM5011OGSERB32335.86665.38895.7561.0032.98BOATOM5012CSERB32336.50764.86098.2161.0028.54BCATOM5013OSERB32337.72964.85598.1561.0033.73BOATOM5014NLEUB32435.81965.79098.8661.0028.38BNATOM5015CALEUB32436.47866.89499.5481.0028.81BCATOM5016CBLEUB32435.42867.863100.0881.0026.02BCATOM5017CGLEUB32434.57668.57099.0361.0024.27BCATOM5018CD1LEUB32433.49869.41799.7171.0019.70BCATOM5019CD2LEUB32435.47769.43898.1631.0020.24BCATOM5020CLEUB32437.39966.482100.6911.0030.48BCATOM5021OLEUB32438.49767.020100.8321.0030.13BOATOM5022NGLYB32536.94465.530101.4991.0032.90BNATOM5023CAGLYB32537.71065.086102.6521.0035.69BCATOM5024CGLYB32538.95764.259102.4131.0038.91BCATOM5025OGLYB32539.84664.228103.2701.0040.28BOATOM5026NGLYB32639.03463.581101.2711.0039.79BNATOM5027CAGLYB32640.20562.771100.9911.0040.75BCATOM5028CGLYB32641.30663.605100.3681.0041.76BCATOM5029OGLYB32641.13064.804100.1451.0042.11BOATOM5030NARGB32742.45262.986100.1021.0042.72BNATOM5031CAARGB32743.55163.70499.4711.0043.72BCATOM5032CBARGB32744.88262.95499.6731.0048.10BCATOM5033CGARGB32745.01961.58098.9951.0048.37BCATOM5034CDARGB32745.33861.72197.5161.0050.26BCATOM5035NEARGB32746.32362.77497.2661.0053.39BNATOM5036CZARGB32746.65963.21696.0541.0055.41BCATOM5037NH1ARGB32746.09262.69994.9701.0055.09BNATOM5038NH2ARGB32747.55864.18395.9241.0053.46BNATOM5039CARGB32743.17163.77397.9991.0043.31BCATOM5040OARGB32743.15762.75997.2961.0044.10BOATOM5041NTHRB32842.82764.96897.5351.0040.18BNATOM5042CATHRB32842.41665.12496.1501.0038.03BCATOM5043CBTHRB32840.92464.76995.9661.0038.46BCATOM5044OG1THRB32840.11765.86196.4221.0039.24BOATOM5045CG2THRB32840.55963.52496.7761.0038.85BCATOM5046CTHRB32842.58566.56095.7241.0036.49BCATOM5047OTHRB32843.16667.37196.4401.0038.63BOATOM5048NARGB32942.07066.87094.5461.0033.71BNATOM5049CAARGB32942.12568.22494.0411.0030.91BCATOM5050CBARGB32942.79968.25792.6761.0030.74BCATOM5051CGARGB32944.27067.88292.7271.0030.94BCATOM5052CDARGB32944.99768.49391.5511.0035.33BCATOM5053NEARGB32946.39368.08291.4511.0038.67BNATOM5054CZARGB32947.30668.73690.7381.0040.81BCATOM5055NH1ARGB32946.96669.83590.0711.0037.70BNATOM5056NH2ARGB32948.55568.29090.6831.0041.86BNATOM5057CARGB32940.70268.77593.9661.0028.76BCATOM5058OARGB32939.77468.10293.5061.0026.88BOATOM5059NTHRB33040.53869.99594.4571.0025.63BNATOM5060CATHRB33039.24470.65194.4741.0024.77BCATOM5061CBTHRB33038.67970.71895.8941.0024.32BCATOM5062OG1THRB33038.41069.39196.3611.0026.75BOATOM5063CG2THRB33037.40571.52895.9201.0025.45BCATOM5064CTHRB33039.39772.06193.9521.0024.41BCATOM5065OTHRB33040.24972.82194.4201.0024.97BOATOM5066NSERB33138.56972.41592.9801.0023.57BNATOM5067CASERB33138.64673.73992.3981.0021.81BCATOM5068CBSERB33139.23473.63790.9981.0018.84BCATOM5069OGSERB33138.88974.76990.2381.0021.28BOATOM5070CSERB33137.30474.46592.3501.0021.14BCATOM5071OSERB33136.25673.86392.0861.0021.51BOATOM5072NILEB33237.34775.76392.6241.0018.30BNATOM5073CAILEB33236.15876.59492.5891.0017.64BCATOM5074CBILEB33235.89377.28293.9201.0020.57BCATOM5075CG2ILEB33234.76578.28793.7601.0018.44BCATOM5076CG1ILEB33235.51476.25394.9781.0024.27BCATOM5077CD1ILEB33235.34576.85896.3471.0028.70BCATOM5078CILEB33236.33077.69991.5701.0019.46BCATOM5079OILEB33237.31278.44391.6011.0018.27BOATOM5080NILEB33335.36677.81190.6631.0019.49BNATOM5081CAILEB33335.41578.85389.6561.0017.70BCATOM5082CBILEB33335.12878.27988.2671.0015.23BCATOM5083CG2ILEB33335.37279.33487.2141.0014.43BCATOM5084CG1ILEB33336.05577.09388.0141.0015.53BCATOM5085CD1ILEB33336.06076.61086.5761.0018.45BCATOM5086CILEB33334.38779.92290.0111.0016.96BCATOM5087OILEB33333.17779.71889.8751.0018.17BOATOM5088NALAB33434.87581.05790.4991.0015.71BNATOM5089CAALAB33433.99882.16090.8801.0015.64BCATOM5090CBALAB33434.61282.92192.0171.0011.70BCATOM5091CALAB33433.73883.09989.6951.0017.92BCATOM5092OALAB33434.61883.86089.2911.0017.95BOATOM5093NTHRB33532.52783.03689.1381.0017.87BNATOM5094CATHRB33532.14683.87888.0031.0017.25BCATOM5095CBTHRB33531.04083.21187.1591.0016.88BCATOM5096OG1THRB33529.86283.07487.9541.0013.01BOATOM5097CG2THRB33531.48681.85386.6581.0014.76BCATOM5098CTHRB33531.62385.26388.4211.0018.02BCATOM5099OTHRB33530.83085.38889.3601.0018.39BOATOM5100NILEB33632.04686.29987.7031.0017.25BNATOM5101CAILEB33631.60987.65988.0051.0015.54BCATOM5102CBILEB33632.67788.42288.8171.0013.31BCATOM5103CG2ILEB33632.95587.70990.1161.0014.05BCATOM5104CG1ILEB33633.96788.53588.0061.0016.05BCATOM5105CD1ILEB33635.07089.27788.7221.0016.78BCATOM5106CILEB33631.28188.48886.7591.0016.04BCATOM5107OILEB33631.64888.12585.6331.0016.85BOATOM5108NSERB33730.58289.59986.9831.0016.19BNATOM5109CASERB33730.19590.54085.9301.0017.82BCATOM5110CBSERB33728.77491.07086.1891.0021.09BCATOM5111OGSERB33728.48392.23485.4271.0018.40BOATOM5112CSERB33731.18291.71085.9411.0019.15BCATOM5113OSERB33731.79592.01486.9601.0021.66BOATOM5114NPROB33831.36392.37584.8001.0019.49BNATOM5115CDPROB33831.10691.89483.4301.0018.07BCATOM5116CAPROB33832.30293.49884.7981.0020.09BCATOM5117CBPROB33832.99393.34783.4521.0021.24BCATOM5118CGPROB33831.86492.90782.5651.0017.67BCATOM5119CPROB33831.60594.85284.9361.0022.24BCATOM5120OPROB33832.26895.88085.0701.0021.58BOATOM5121NALAB33930.27194.84684.9241.0023.10BNATOM5122CAALAB33929.49096.08885.0081.0023.31BCATOM5123CBALAB33928.19895.93884.2231.0024.55BCATOM5124CALAB33929.16496.59886.4021.0023.72BCATOM5125OALAB33928.99895.82087.3461.0023.75BOATOM5126NSERB34029.04797.92386.4961.0024.02BNATOM5127CASERB34028.73698.62987.7451.0024.88BCATOM5128CBSERB34028.783100.14687.5181.0023.66BCATOM5129OGSERB34027.738100.57386.6631.0016.47BOATOM5130CSERB34027.35198.25088.2691.0025.29BCATOM5131OSERB34027.08598.29189.4681.0025.56BOATOM5132NLEUB34126.47797.87987.3441.0028.17BNATOM5133CALEUB34125.10597.49487.6501.0029.85BCATOM5134CBLEUB34124.40197.09186.3461.0029.04BCATOM5135CGLEUB34122.87697.18086.2991.0031.99BCATOM5136CD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BCATOM5245OHISB35439.84884.464101.0611.0025.94BOATOM5246NARGB35537.60084.569101.0561.0028.55BNATOM5247CAARGB35537.45083.973102.3781.0029.51BCATOM5248CBARGB35536.06284.305102.9491.0029.02BCATOM5249CGARGB35535.65483.484104.1741.0031.42BCATOM5250COARGB35534.58084.208104.9761.0030.54BCATOM5251NEARGB35533.55684.800104.1181.0033.28BNATOM5252CZARGB35532.59184.117103.5091.0035.28BCATOM5253NH1ARGB35532.49882.801103.6601.0037.73BNATOM5254NH2ARGB35531.72384.754102.7341.0033.42BNATOM5255CARGB35537.65582.462102.3371.0028.53BCATOM5256OARGB35538.02981.852103.3441.0029.01BOATOM5257NALAB35637.41481.862101.1751.0027.02BNATOM5258CAALAB35637.57980.423101.0361.0029.85BCATOM5259CBALAB35636.96879.95499.7301.0028.71BCATOM5260CALAB35639.06080.044101.1041.0030.15BCATOM5261OALAB35639.43879.109101.8091.0032.84BOATOM5262NLYSB35739.89280.766100.3651.0030.08BNATOM5263CALYSB35741.33080.520100.3671.0032.33BCATOM5264CBLYSB35741.75479.62799.1951.0032.12BCATOM5265CGLYSB35743.24779.31899.2051.0031.36BCATOM5266CDLYSB35743.72978.64097.9351.0028.79BCATOM5267CELYSB35745.24578.47697.9751.0026.81BCATOM5268NZLYSB35745.79277.80696.7721.0024.78BNATOM5269CLYSB35742.03181.868100.2641.0034.04BCATOM5270OLYSB35742.09782.47599.1871.0031.55BOATOM5271NASNB35842.55082.322101.4021.0035.14BNATOM5272CAASNB35843.22783.605101.5021.0035.84BCATOM5273CBASNB35843.44383.948102.9681.0037.99BCATOM5274CGASNB35843.42585.427103.2081.0042.46BCATOM5275OD1ASNB35843.63185.889104.3271.0047.10BOATOM5276ND2ASNB35843.16886.191102.1521.0042.80BNATOM5277CASNB35844.56283.673100.7731.0035.91BCATOM5278OASNB35845.48982.915101.0821.0035.86BOATOM5279NILEB35944.66084.58999.8131.0034.02BNATOM5280CAILEB35945.88884.75999.0471.0034.17BCATOM5281CBILEB35945.70784.34897.5801.0031.12BCATOM5282CG2ILEB35947.02984.48896.8471.0030.92BCATOM5283CG1ILEB35945.23182.89597.5051.0028.79BCATOM5284CD1ILEB35945.11182.36096.1171.0025.40BCATOM5285CILEB35946.37486.20199.1021.0037.27BCATOM5286OILEB35945.84487.08898.4201.0038.31BOATOM5287NLEUB36047.40086.40299.9271.0039.26BNATOM5288CALEUB36048.03687.691100.1761.0039.18BCATOM5289CBLEUB36049.29487.475101.0271.0037.17BCATOM5290CGLEUB36049.22486.513102.2211.0036.23BCATOM5291CD1LEUB36048.59485.186101.8131.0035.82BCATOM5292CD2LEUB36050.62986.269102.7391.0036.36BCATOM5293CLEUB36048.42388.43598.9021.0038.73BCATOM5294OLEUB36049.08687.87198.0331.0038.39BOATOM5295NASNB36148.02389.70398.8071.0038.66BNATOM5296CAASNB36148.34690.53797.6461.0040.66BCATOM5297CBASNB36147.81191.96897.8211.0037.91BCATOM5298CGASNB36146.33192.02098.1361.0036.57BCATOM5299OD1ASNB36145.48591.67497.3061.0035.63BOATOM5300ND2ASNB36146.00892.46799.3471.0037.46BNATOM5301CASNB36149.86590.63997.4661.0042.13BCATOM5302OASNB36150.52991.37698.1991.0040.72BOATOM5303NLYSB36250.41389.91296.4961.0044.23BNATOM5304CALYSB36251.85289.96796.2371.0047.00BCATOM5305CBLYSB36252.15789.34594.8761.0047.08BCATOM5306CGLYSB36251.89787.85794.8141.0049.53BCATOM5307CDLYSB36251.70187.39193.3781.0050.61BCATOM5308CELYSB36250.28987.68092.8841.0049.24BCATOM5309NZLYSB36249.93589.12292.9501.0049.26BNATOM5310CLYSB36252.32091.42796.2561.0048.70BCATOM5311QLYSB36251.74092.27895.5771.0046.71BOATOM5312NPROB36353.38891.73191.0211.0051.10BNATOM5313CDPROB36354.37690.79497.5891.0051.01BCATOM5314CAPROB36353.88493.11097.0891.0053.07BCATOM5315CBPROB36355.36292.92297.4061.0053.55BCATOM5316CGPROB36355.33991.72898.3081.0052.93BCATOM5317CPROB36353.64693.83495.7701.0054.59BCATOM5318OPROB36354.03893.34994.7111.0055.28BOATOM5319NGLUB36452.98994.98695.8471.0055.52BNATOM5320CAGLUB36452.66395.78194.6691.0056.91BCATOM5321CBGLUB36452.41197.23795.0751.0057.32BCATOM5322CGGLUB36453.43997.81596.0421.0058.31BCATOM5323CDGLUB36453.03297.65397.4961.0058.07BCATOM5324OE1GLUB36451.95598.17697.8651.0055.07BOATOM5325OE2GLUB36453.78697.01198.2651.0059.16BOATOM5326CGLUB36453.69295.73593.5391.0058.77BCATOM5327OGLUB36454.77295.15993.6821.0058.08BOATOM5328NVALB36553.33396.35592.4131.0060.32BNATOM5329CAVALB36554.17696.41791.2161.0060.11BCATOM5330CBVALB36553.84397.68590.3771.0060.39BCATOM5331CG1VALB36553.79698.91791.2801.0059.25BCATOM5332CG2VALB36554.88197.87389.2731.0060.03BCATOM5333CVALB36555.67796.38991.5031.0059.64BCATOM5334OXTVALB36556.15897.33192.1681.0059.90BOATOM5335NNO3200018.59575.02497.5651.0052.56NATOM5336O1NO3200018.86374.10998.4031.0051.01OATOM5337O2NO3200018.16574.68396.5011.0051.29OATOM5338O3NO3200018.79076.18297.8901.0052.44OATOM5339NNO3200123.963104.76599.9741.0066.74NATOM5340O1NO3200123.741105.30898.8631.0068.45OATOM5341O2NO3200124.847103.956100.0141.0066.51OATOM5342O3NO3200123.273105.099100.9241.0065.15OTER5343NO32001ATOM5344MGMG260222.42478.12085.7621.0025.11MGTER5345MG2602ATOM5346MGMG260317.096104.97686.4591.0037.15MGTER5347MG2603ATOM5348PBADP260115.476101.50286.0361.0017.57PATOM5349O1BADP260115.970100.75487.1921.0022.84OATOM5350O2BADP260113.913101.30385.8611.0021.81OATOM5351O3BADP260115.835103.08186.1531.0021.03OATOM5352PAADP260116.003101.55483.2551.0026.70PATOM5353O1AADP260116.277103.01583.3521.0033.51OATOM5354O2AADP260116.955100.79382.1951.0028.63OATOM5355O3AADP260116.230100.94684.7251.0026.63OATOM5356O5*ADP260114.518101.29882.7831.0017.16OATOM5357C5*ADP260113.978100.02082.5371.0024.19CATOM5358C4*ADP260114.70199.21581.4071.0025.68CATOM5359O4*ADP260113.97198.02581.2671.0024.47OATOM5360C3*ADP260114.66399.94880.0641.0028.76CATOM5361O3*ADP260116.004100.30379.7411.0034.63OATOM5362C2*ADP260114.15598.93479.0951.0025.45CATOM5363O2*ADP260115.22798.33778.4001.0032.03OATOM5364C1*ADP260113.37897.98179.9781.0021.50CATOM5365N9ADP260111.94798.38580.1281.0022.10NATOM5366C8ADP260111.34698.94781.2291.0020.57CATOM5367N7ADP260110.08699.18781.1021.0018.74NATOM5368C5ADP26019.79798.76279.8281.0019.52CATOM5369C6ADP26018.60098.73879.0801.0021.62CATOM5370N6ADP26017.42699.17879.5671.0024.17NATOM5371N1ADP26018.63998.24977.8231.0024.80NATOM5372C2ADP26019.80297.80577.3321.0028.07CATOM5373N3ADP260110.99597.77177.9391.0027.92NATOM5374C4ADP260110.92698.27279.2091.0021.63CTER5375ADP2601ATOM5376PBADP260223.79581.43885.1711.0015.66PATOM5377O1BADP260223.04682.17386.1961.0016.94OATOM5378O2BADP260225.36081.75585.2941.0015.07OATOM5379O3BADP260223.54679.85285.2831.0014.57OATOM5380PAADP260223.72381.34482.3091.0017.95PATOM5381O1AADP260223.58079.88382.3111.0025.41OATOM5382O2AADP260222.86882.06381.1621.0027.54OATOM5383O3AADP260223.23181.91183.7341.0019.95OATOM5384O5*ADP260225.22881.71482.0501.0016.67OATOM5385C5*ADP260225.65583.02881.8961.0026.38CATOM5386C4*ADP260225.07683.61180.5721.0029.57CATOM5387O4*ADP260225.56284.93680.3791.0024.61OATOM5388C3*ADP260225.49982.80679.3261.0033.25CATOM5389O3*ADP260224.51581.83879.0161.0038.37OATOM5390C2*ADP260225.58383.89778.3111.0029.90CATOM5391O2*ADP260224.29184.24977.8351.0032.26OATOM5392C1*ADP260226.27484.94379.1501.0024.63CATOM5393N9ADP260227.70684.57979.3991.0023.86NATOM5394C8ADP260228.31484.19080.5871.0024.21CATOM5395N7ADP260229.59283.94780.4941.0023.45NATOM5396C5ADP260229.87284.18679.1571.0022.91CATOM5397C6ADP260231.06084.11878.3961.0022.94CATOM5398N6ADP260232.24583.77478.9161.0022.81NATOM5399N1ADP260230.99284.42177.0781.0024.38NATOM5400C2ADP260229.81584.77176.5421.0022.03CATOM5401N3ADP260228.63584.87577.1461.0021.04NATOM5402C4ADP260228.72584.56778.4731.0023.71CTER5403ADP2602ATOM5404C1258117.749114.05782.6981.0015.85ADRUCATOM5405C2258117.994113.77681.3831.0015.85ADRUCATOM5406C3258116.885113.50880.4961.0015.85ADRUCATOM5407N1258115.594113.54580.9981.0015.85ADRUNATOM5408CS258115.415113.83582.3421.0015.85ADRUCATOM5409C6258116.469114.08683.1751.0015.85ADRUCATOM5410N10258117.118113.22279.1741.0015.85ADRUNATOM5411C11258116.105112.96078.2881.0015.85ADRUCATOM5412C8258114.806112.98778.7281.0015.85ADRUCATOM5413C13258114.512113.28880.1341.0015.85ADRUCATOM5414C14258113.654112.71377.7901.0015.85ADRUCATOM5415C15258113.206113.95677.0291.0015.85ADRUCATOM5416C18258112.857115.15377.6891.0015.85ADRUCATOM5417C19258112.447116.26676.9531.0015.85ADRUCATOM5418C20258112.381116.19675.5491.0015.85ADRUCATOM5419C21258112.730115.00874.8831.0015.85ADRUCATOM5420C22258113.141113.89175.6201.0015.85ADRUCATOM5421C28258113.354113.32480.5781.0015.85ADRUOATOM5422C30258116.462112.65676.8281.0015.85ADRUCATOM5423C31258117.489113.70676.3481.0015.85ADRUCATOM5424C32258116.801114.89575.6121.0015.85ADRUCATOM5425N38258117.060111.30376.6251.0015.85ADRUNATOM5426C40258118.289110.97277.4011.0015.85ADRUCATOM5427C41258118.010110.10278.6721.0015.85ADRUCATOM5428C44258117.186108.80578.4571.0015.85ADRUCATOM5429N47258116.952108.06179.7071.0015.85ADRUNATOM5430C52258116.566110.33975.7751.0015.85ADRUCATOM5431O53258117.137109.25175.6611.0015.85ADRUOATOM5432C54258115.412110.44974.9821.0015.85ADRUCATOM5433C55258114.230109.79275.4281.0015.85ADRUCATOM5434C56258113.040109.84874.6751.0015.85ADRUCATOM5435C57258113.001110.55673.4631.0015.85ADRUCATOM5436C58258114.181111.21773.0051.0015.85ADRUCATOM5437C59258115.385111.16473.7621.0015.85ADRUCATOM5438CL1258111.714110.61072.6561.0015.85ADRUCATOM5439C7258117.996113.97274.9621.0015.85ADRUCTER54402581ADRUATOM5441C1258221.75068.72082.4591.0015.852CATOM5442C2258221.54768.91481.1191.0015.852CATOM5443C3258222.68469.20480.2731.0015.852CATOM5444N1258223.95069.28080.8461.0015.852NATOM5445C5258224.08469.07282.2231.0015.852CATOM5446C6258223.01068.79983.0101.0015.852CATOM5447N10258222.51069.40178.9261.0015.852NATOM5448C11258223.55269.67878.0851.0015.852CATOM5449C8258224.81969.76078.5931.0015.852CATOM5450C13258225.04969.55780.0301.0015.852CATOM5451C14258226.00670.05777.6961.0015.852CATOM5452C15258226.59368.79577.0801.0015.852CATOM5453C18258227.01867.70077.8721.0015.852CATOM5454C19258227.55766.54877.2551.0015.852CATOM5455C20258227.67466.49075.8401.0015.852CATOM5456C21258227.24867.58375.0561.0015.852CATOM5457C22258226.71068.73075.6801.0015.852CATOM5458O28258226.16769.62080.5461.0015.852OATOM5459C30258223.26069.88276.5931.0015.852CATOM5460C31258222.28468.79576.1281.0015.852CATOM5461C32258223.00767.43775.8851.0015.852CATOM5462N38258222.65071.21776.3001.0015.852NATOM5463C40258221.37771.53576.9891.0015.852CATOM5464C41258221.55372.34378.2971.0015.852CATOM5465C44258221.99773.79278.1131.0015.852CATOM5466N47258222.14374.48579.3981.0015.852NATOM5467C52258223.18272.15675.4381.0015.852CATOM5468O53258222.61073.23475.2441.0015.852OATOM5469C54258224.39171.99774.7161.0015.852CATOM5470C55258225.57872.57875.2251.0015.852CATOM5471C56258226.80172.45374.5391.0015.852CATOM5472C57258226.86471.74373.3261.0015.852CATOM5473C58258225.67771.15872.8061.0015.852CATOM5474C59258224.44571.28673.4991.0015.852CATOM5475CL1258228.19271.60672.5851.0015.852CATOM5476C7258222.10468.21774.7681.0015.852CTER547725822ATOM5478OH2TIP113.316112.77186.7821.0027.72SOATOM5479OH2TIP221.291108.16597.7041.0026.46SOATOM5480OH2TIP3−7.702127.50385.4351.0026.36SOATOM5481OH2TIP417.950116.600105.9991.0021.62SOATOM5482OH2TIP513.129121.25293.3021.0034.16SOATOM5483OH2TIP617.948111.384100.8891.0023.31SOATOM5484OH2TIP75.531101.20875.5281.0015.26SOATOM5485OH2TIP8−4.547135.70274.0161.0025.89SOATOM5486OH2TIP913.54681.95189.7021.0021.05SOATOM5487OH2TIP1030.99149.80087.8571.0028.41SOATOM5488OH2TIP1121.80871.979100.5601.0018.92SOATOM5489OH2TIP1228.81958.63488.9961.0028.36SOATOM5490OH2TIP13−6.812100.34785.9961.0023.83SOATOM5491OH2TIP1421.58779.18583.5951.0012.53SOATOM5492OH2TIP1512.125102.91193.9961.0022.31SOATOM5493OH2TIP1638.99570.03675.0581.0015.09SOATOM5494OH2TIP1723.78693.57392.0221.0021.56SOATOM5495OH2TIP1828.59486.14596.7521.0011.99SOATOM5496OH2TIP194.088108.52679.2141.0019.72SOATOM5497OH2TIP2036.91277.62173.4681.0011.10SOATOM5498OH2TIP2125.77870.02386.5671.0026.24SOATOM5499OH2TIP2236.94672.76070.7661.0040.00SOATOM5500OH2TIP2324.88256.82795.6901.0024.44SOATOM5501OH2TIP2433.46182.11074.0841.0029.20SOATOM5502OH2TIP2549.65940.22381.9451.0034.88SOATOM5503OH2TIP263.110134.177−76.4851.0027.79SOATOM5504OH2TIP2718.24383.01192.6341.0022.85SOATOM5505OH2TIP28−5.21380.22097.2031.0035.44SOATOM5506OH2TIP2923.079116.45069.0931.0033.10SOATOM5507OH2TIP3019.318135.13997.5971.0028.63SOATOM5508OH2TIP3135.18374.97779.1351.0040.06SOATOM5509OH2TIP3248.40569.71283.7841.0039.55SOATOM5510OH2TIP336.497132.22371.1681.0015.15SOATOM5511OH2TIP3428.552100.514101.9351.0038.44SOATOM5512OH2TIP3551.52480.88594.9241.0029.19SOATOM5513OH2TIP3626.84880.58093.5551.0024.78SOATOM5514OH2TIP379.012130.32591.2851.0024.42SOATOM5515OH2TIP38−8.596126.86173.8151.0027.90SOATOM5516OH2TIP3910.31596.60291.9131.0017.61SOATOM5517OH2TIP4034.78157.04794.7731.0026.21SOATOM5518OH2TIP413.003134.60688.4391.0038.84SOATOM5519OH2TIP4227.88260.12193.3161.0024.35SOATOM5520OH2TIP4319.100109.09772.0711.0033.28SOATOM5521OH2TIP449.57959.04780.7461.0031.50SOATOM5522OH2TIP455.78156.34384.5851.0034.80SOATOM5523OH2TIP4616.27295.11798.4221.0037.95SOATOM5524OH2TIP4751.94659.09986.1311.0022.79SOATOM5525OH2TIP488.125117.055110.3901.0031.70SOATOM5526OH2TIP49−4.806118.90774.3371.0052.99SOATOM5527OH2TIP5011.86598.77195.2111.0043.08SOATOM5528OH2TIP5112.646103.18194.9821.0030.05SOATOM5529OH2TIP5213.15171.655103.7901.0025.08SOATOM5530OH2TIP5349.36180.39897.9651.0031.34SOATOM5531OH2TIP5419.31789.25371.4381.0029.32SOATOM5532OH2TIP558.10986.901105.6261.0022.15SOATOM5533OH2TIP5618.40393.59277.1831.0044.60SOATOM5534OH2TIP5730.88983.352105.7531.0048.70SOATOM5535OH2TIP5824.848120.07382.4551.0046.18SOATOM5536OH2TIP599.56448.92287.3751.0026.01SOATOM5537OH2TIP6011.38965.23480.4141.0024.69SOATOM5538OH2TIP6161.99937.24584.8711.0033.08SOATOM5539OH2TIP6222.027136.78698.8761.0035.47SOATOM5540OH2TIP6319.99987.19785.6491.0030.49SOATOM5541OH2TIP648.658101.459107.1381.0048.11SOATOM5542OH2TIP6531.09053.20292.9881.0033.52SOATOM5543OH2TIP662.798108.52870.8941.0024.40SOATOM5544OH2TIP6715.03661.78482.6101.0052.77SOATOM5545OH2TIP688.85596.326101.8191.0029.67SOATOM5546OH2TIP6925.55166.37067.5901.0032.13SOATOM5547OH2TIP700.93691.89783.2371.0041.45SOATOM5548OH2TIP7130.47769.920113.1451.0017.87SOATOM5549OH2TIP7234.684117.44686.2051.0035.87SOATOM5550OH2TIP7341.397112.40696.9851.0035.92SOATOM5551OH2TIP7410.590123.951106.2681.0056.16SOATOM5552OH2TIP7558.45099.18490.7731.0037.33SOATOM5553OH2TIP7623.55072.114111.9421.0036.14SOATOM5554OH2TIP77−1.42994.90879.5841.0031.07SOATOM5555OH2TIP78−3.563140.41188.9821.0037.05SOATOM5556OH2TIP7947.53355.96686.2111.0032.05SOATOM5557OH2TIP8060.87339.35682.3661.0031.86SOATOM5558OH2TIP811.351144.30186.5221.0042.45SOATOM5559OH2TIP8243.62580.26073.1211.0032.58SOATOM5560OH2TIP83−9.854100.78593.7081.0061.86SOATOM5561OH2TIP849.334133.38186.5331.0051.67SOATOM5562OH2TIP8548.22177.70090.6911.0033.81SOATOM5563OH2TIP8621.34097.27491.1501.0032.30SOATOM5564OH2TIP8717.04190.56986.1721.0032.11SOATOM5565OH2TIP888.585127.11868.7761.0039.30SOATOM5566OH2TIP89−8.423113.53982.6871.0039.89SOATOM5567OH2TIP9032.95149.35179.6561.0046.33SOATOM5568OH2TIP914.730123.041108.9291.0052.91SOATOM5569OH2TIP9226.440118.493101.5941.0036.04SOATOM5570OH2TIP9335.388127.51391.9571.0032.51SOATOM5571OH2TIP9419.256104.45583.1351.0028.22SOATOM5572OH2TIP959.913133.21377.3241.0041.60SOATOM5573OH2TIP9635.66145.93279.2371.0052.97SOATOM5574OH2TIP97−11.050120.50091.8631.0029.06SOATOM5575OH2TIP98−0.241137.85575.0641.0042.73SOATOM5576OH2TIP993.111134.94583.3691.0038.57SOATOM5577OH2TIP10023.00774.84473.1351.0047.84SOATOM5578OH2TIP10145.42493.58179.1251.0046.41SOATOM5579OH2TIP10235.32456.15671.6911.0032.19SOATOM5580OH2TIP10320.43065.73268.4781.0033.39SOATOM5581OH2TIP1045.189104.660111.6211.0026.22SOATOM5582OH2TIP10537.49748.01084.1021.0026.17SOATOM5583OH2TIP10628.548131.77599.7241.0034.04SOATOM5584OH2TIP10720.485100.21659.3681.0027.32SOATOM5585OH2TIP10840.67379.977108.9361.0033.78SOATOM5586OH2TIP10915.07774.74584.1451.0029.18SOATOM5587OH2TIP11032.24369.27264.1951.0025.89SOATOM5588OH2TIP11122.00266.970106.3331.0044.15SOATOM5589OH2TIP11219.82156.84268.9181.0043.46SOATOM5590OH2TIP1131.202122.72697.4261.0024.98SOATOM5591OH2TIP114−4.361128.98182.2321.0013.64SOATOM5592OH2TIP11522.440120.45274.4761.0037.68SOATOM5593OH2TIP1166.88360.68685.0131.0030.52SOATOM5594OH2TIP11712.798130.10293.1281.0041.32SOATOM5595OH2TIP11839.20365.63064.2561.0035.27SOATOM5596OH2TIP119−21.31882.18994.7721.0036.85SOATOM5597OH2TIP12034.12267.50760.3671.0044.98SOATOM5598OH2TIP12129.53859.35298.8311.0027.70SOATOM5599OH2TIP12213.385134.03786.0091.0024.31SOATOM5600OH2TIP12340.39760.80796.5011.0011.63SOATOM5601OH2TIP12414.32962.28374.3991.0037.38SOATOM5602OH2TIP1256.94090.27183.1111.0062.86SOATOM5603OH2TIP12649.19344.36584.1321.0037.97SOATOM5604OH2TIP127−10.492125.62483.8841.0041.94SOATOM5605OH2TIP128−1.11397.43374.1051.0034.43SOATOM5606OH2TIP1296.626116.15678.2871.0032.76SOATOM5607OH2TIP13025.088101.40086.7231.0026.15SOATOM5608OH2TIP13143.29063.24273.5671.0035.06SOATOM5609OH2TIP1323.638103.059107.5131.0070.98SOATOM5610OH2TIP13311.44697.435105.1221.0037.25SOATOM5611OH2TIP1343.495101.37271.8641.0059.36SOATOM5612OH2TIP1357.875129.83985.3981.0037.98SOATOM5613OH2TIP13639.39792.011101.4911.0033.94SOATOM5614OH2TIP13718.49399.68885.0491.0037.85SOATOM5615OH2TIP13814.71468.832104.5071.0029.31SOATOM5616OH2TIP13920.71877.38280.3731.0014.87SOATOM5617OH2TIP1406.29490.08378.8321.0016.62SOATOM5618OH2TIP14142.47454.17092.7451.0011.80SOATOM5619OH2TIP142−2.148115.176106.9301.0038.53SOATOM5620OH2TIP143−8.521117.47087.4661.0039.42SOATOM5621OH2TIP1441.965140.04185.2531.0046.25SOATOM5622OH2TIP14551.44553.65589.7521.0042.21SOATOM5623OH2TIP1469.314102.530111.8361.0029.92SOATOM5624OH2TIP14723.51982.15075.4731.0050.78SOATOM5625OH2TIP14811.15669.57778.8171.0031.47SOATOM5626OH2TIP14939.650112.01995.1471.0045.98SOATOM5627OH2TIP15013.77159.18991.8121.0024.38SOATOM5628OH2TIP15121.89177.59476.2921.0023.90SOATOM5629OH2TIP152−5.86097.85480.2421.0030.84SOATOM5630OH2TIP15331.038114.616103.6571.0033.54SOATOM5631OH2TIP15416.925121.280111.5091.0041.36SOATOM5632OH2TIP1553.391109.06763.6891.0040.25SOATOM5633OH2TIP15619.278117.74568.4611.0037.06SOATOM5634OH2TIP1570.995138.61890.6541.0032.41SOATOM5635OH2TIP158−6.927123.41683.9951.0030.57SOATOM5636OH2TIP15917.736108.29189.3201.0039.48SOATOM5637OH2TIP160−5.64782.38687.9601.0021.22SOATOM5638OH2TIP161−9.08793.96781.7321.0035.10SOATOM5639OH2TIP16250.12653.47679.2271.0042.49SOATOM5640OH2TIP1637.331103.31384.8531.0023.00SOATOM5641OH2TIP16420.94970.78163.4521.0026.28SOATOM5642OH2TIP1657.928100.01483.0551.0046.75SOATOM5643OH2TIP16612.64173.146108.6261.0022.35SOATOM5644OH2TIP16735.412106.758102.9801.0019.91SOATOM5645OH2TIP16847.12490.15880.2921.0035.80SOATOM5646OH2TIP16915.47599.14463.9601.0023.18SOATOM5647OH2TIP17018.90194.29392.0401.0027.41SOATOM5648OH2TIP17147.76967.68688.0621.0049.51SOATOM5649OH2TIP17226.145120.67391.4891.0031.46SOATOM5650OH2TIP17315.20097.47869.6371.0028.11SOATOM5651OH2TIP17449.24467.97396.9401.0025.47SOATOM5652OH2TIP1757.67054.26295.1271.0030.80SOATOM5653OH2TIP176−15.404133.72490.3511.0032.90SOATOM5654OH2TIP17730.535103.63979.8351.0039.25SOATOM5655OH2TIP17818.59268.50661.1571.0051.48SOATOM5656OH2TIP17932.26383.17065.1271.0027.65SOATOM5657OH2TIP18021.00688.98378.7681.0038.20SOATOM5658OH2TIP18121.613130.28071.1041.0029.62SOATOM5659OH2TIP18216.98970.22466.0621.0034.66SOATOM5660OH2TIP18316.25046.600102.1621.0031.40SOATOM5661OH2TIP184−12.520127.32093.2391.0024.74SOATOM5662OH2TIP18522.209133.850102.4381.0036.16SOATOM5663OH2TIP18634.06051.59377.3321.0041.78SOATOM5664OH2TIP18757.002103.42090.8701.0031.72SOATOM5665OH2TIP18831.10457.13369.5051.0026.27SOATOM5666OH2TIP18942.460106.31496.3561.0059.36SOATOM5667OH2TIP19017.403105.18475.2381.0061.69SOATOM5668OH2TIP19157.52451.41494.1611.0025.81SOATOM5669OH2TIP19244.24674.719101.3191.0042.18SOATOM5670OH2TIP19352.08739.17783.0011.0046.43SOATOM5671OH2TIP194−1.903130.39095.9261.0026.70SOATOM5672OH2TIP19518.794103.77676.9511.0033.89SOATOM5673OH2TIP1960.817118.362105.3071.0017.32SOATOM5674OH2TIP19741.69986.19277.2781.0032.70SOATOM5675OH2TIP198−1.577102.497110.0541.0027.44SOATOM5676OH2TIP19926.971132.46083.9631.0043.16SOATOM5677OH2TIP20020.24086.36095.4341.0049.90SOATOM5678OH2TIP2019.38663.77682.5061.0038.45SOATOM5679OH2TIP202−5.616110.47488.6321.0039.13SOATOM5680OH2TIP20322.281120.447101.7221.0038.39SOATOM5681OH2TIP20455.90647.83385.0611.0038.63SOATOM5682OH2TIP205−4.219117.13299.9651.0037.16SOATOM5683OH2TIP2061.500111.74272.1901.0069.64SOATOM5684OH2TIP2076.486140.24998.3201.0029.05SOATOM5685OH2TIP20810.812136.99177.8891.0046.77SOATOM5686OH2TIP2094.761134.80195.2401.0042.80SOATOM5687OH2TIP2105.77671.90299.1471.0027.28SOATOM5688OH2TIP21117.96557.06873.8671.0047.81SOATOM5689OH2TIP21232.947121.89385.2881.0051.82SOATOM5690OH2TIP21320.028132.134101.6111.0031.84SOATOM5691OH2TIP2146.934139.54384.4171.0040.36SOATOM5692OH2TIP21530.249133.72585.8161.0038.48SOATOM5693OH2TIP21612.651123.84090.9471.0022.61SOATOM5694OH2TIP21729.39886.098101.3721.0045.88SOATOM5695OH2TIP21818.295128.09692.7291.0040.28SOATOM5696OH2TIP21921.50952.54388.2121.0031.93SOATOM5697OH2TIP22029.55448.74595.5921.0036.56SOATOM5698OH2TIP2212.091114.47174.8181.0048.68SOATOM5699OH2TIP22238.49891.150104.4101.0031.36SOATOM5700OH2TIP22332.72046.53295.5821.0027.83SOATOM5701OH2TIP2247.15985.271101.0881.0030.36SOATOM5702OH2TIP22549.65162.67982.1671.0034.64SOATOM5703OH2TIP22648.28584.67082.6861.0056.51SOATOM5704OH2TIP227−18.86292.99490.3021.0034.68SOATOM5705OH2TIP2281.905135.65585.8831.0046.58SOATOM5706OH2TIP22948.31882.74484.5151.0056.63SOATOM5707OH2TIP2309.739136.432106.6041.0039.12SOATOM5708OH2TIP23112.64879.439103.3051.0052.60SOATOM5709OH2TIP23210.768107.05594.8971.0051.49SOATOM5710OH2TIP23328.527112.47079.0661.0031.88SOATOM5711OH2TIP2342.679126.350100.9671.0018.07SOATOM5712OH2TIP23520.522103.31961.8101.0041.17SOATOM5713OH2TIP236−12.540100.84587.2481.0040.05SOATOM5714OH2TIP237−3.133116.871110.4131.0028.99SOATOM5715OH2TIP238−2.12897.22578.2681.0041.45SOATOM5716OH2TIP23945.42490.620101.5211.0038.02SOATOM5717OH2TIP24036.36280.09169.5501.0041.55SOATOM5718OH2TIP24149.52453.30992.1171.0043.04SOATOM5719OH2TIP24223.505114.18868.1431.0044.45SOATOM5720OH2TIP24319.38758.05077.8191.0025.71SOATOM5721OH2TIP24415.22953.30591.9431.0041.08SOATOM5722OH2TIP2451.128119.12569.2041.0038.57SOATOM5723OH2TIP24626.22878.389108.0641.0030.19SOATOM5724OH2TIP247−0.152115.65398.4881.0040.88SOATOM5725OH2TIP24822.718131.70485.1231.0039.13SOATOM5726OH2TIP2490.97771.12199.6361.0053.25SOATOM5727OH2TIP25043.29442.39489.5931.0035.06SOATOM5728OH2TIP25136.83788.073106.3671.0061.49SOATOM5729OH2TIP25245.54558.92080.1601.0034.86SOATOM5730OH2TIP25318.572121.349105.0761.0088.40SOATOM5731OH2TIP25449.86265.49493.5421.0036.42SOATOM5732OH2TIP2553.22872.336100.7831.0025.67SOATOM5733OH2TIP25645.47255.27682.8591.0027.91SOATOM5734OH2TIP25736.83282.44863.3231.0037.26SOATOM5735OH2TIP258−0.44376.79388.9681.0043.02SOATOM5736OH2TIP2594.176106.750109.3201.0035.06SOATOM5737OH2TIP26030.73367.359110.3371.0031.19SOATOM5738OH2TIP26110.503105.193112.4351.0033.96SOATOM5739OH2TIP26226.050106.94283.5281.0031.92SOATOM5740OH2TIP263−5.727137.01594.2181.0062.53SOATOM5741OH2TIP26450.42663.41894.7171.0036.63SOATOM5742OH2TIP265−14.909135.61688.3201.0077.78SOATOM5743OH2TIP26637.86248.51787.9811.0034.98SOATOM5744OH2TIP26745.71782.85674.2861.0038.84SOATOM5745OH2TIP26837.34949.68978.1571.0051.60SOATOM5746OH2TIP2692.893138.82276.9741.0037.65SOATOM5747OH2TIP27023.80788.81685.6291.0031.45SOATOM5748OH2TIP27159.824100.96297.3411.0025.89SOATOM5749OH2TIP272−8.343139.81094.1311.0030.31SOATOM5750OH2TIP27319.81868.87667.8751.0033.63SOATOM5751OH2TIP2743.744125.78092.7481.0049.89SOATOM5752OH2TIP2751.301112.89268.0171.0028.31SOATOM5753OH2TIP276−9.764100.65484.7131.0035.44SOATOM5754OH2TIP27752.41975.49296.3771.0037.16SOATOM5755OH2TIP27846.32267.05578.1011.0049.48SOATOM5756OH2TIP27915.82798.296101.5091.0044.28SOATOM5757OH2TIP28019.66170.29773.3171.0038.53SOATOM5758OH2TIP2819.404121.945100.3191.0032.52SOATOM5759OH2TIP28218.15991.56080.3071.0019.68SOATOM5760OH2TIP2834.569111.54572.6821.0042.50SOATOM5761OH2TIP28414.59763.03869.9221.0040.45SOATOM5762OH2TIP285−13.96194.174101.0551.0034.94SOATOM5763OH2TIP286−5.487104.979110.8041.0035.26SOATOM5764OH2TIP2872.73797.635108.0521.0033.16SOATOM5765OH2TIP288−11.433132.30586.2821.0058.09SOATOM5766OH2TIP289−12.69791.81085.9911.0051.64SOATOM5767OH2TIP29055.20174.37096.4721.0058.25SOATOM5768OH2TIP291−4.46773.48496.1641.0058.87SOATOM5769OH2TIP292−4.483119.058102.7691.0038.57SOATOM5770OH2TIP29323.55847.33693.9461.0043.44SOATOM5771OH2TIP29431.51098.840104.9451.0054.84SOATOM5772OH2TIP29534.260132.70388.7501.0031.45SOATOM5773OH2TIP29621.096130.51993.4901.0033.64SOATOM5774OH2TIP29721.21176.05167.8981.0035.31SOATOM5775OH2TIP298−3.012112.37392.8051.0032.59SOATOM5776OH2TIP29923.071131.95394.3541.0038.39SOATOM5777OH2TIP300−0.43096.926105.3621.0042.41SOATOM5778OH2TIP30117.54475.91069.6211.0028.68SOATOM5779OH2TIP30224.813109.17375.7681.0037.55SOATOM5780OH2TIP3036.283113.42073.5941.0045.97SOATOM5781OH2TIP30419.733106.36476.6621.0048.24SOATOM5782OH2TIP30553.82367.76387.7551.0044.19SOATOM5783OH2TIP30642.59949.37094.2011.0044.96SOATOM5784OH2TIP30736.09455.801106.6251.0029.87SOATOM5785OH2TIP30819.45293.44995.7131.0029.73SOATOM5786OH2TIP30940.53645.93793.4021.0045.30SOATOM5787OH2TIP31034.53392.513107.4461.0042.42SOATOM5788OH2TIP31145.41578.582110.9541.0040.65SOATOM5789OH2TIP31230.56293.938103.8251.0043.48SOATOM5790OH2TIP31324.881118.77899.7201.0040.09SOATOM5791OH2TIP31412.54963.959101.5251.0066.25SOATOM5792OH2TIP3152.23361.98993.2731.0027.29SOATOM5793OH2TIP31628.221114.80276.3731.0046.45SOATOM5794OH2TIP31719.771115.04667.8721.0035.88SOATOM5795OH2TIP31827.593117.80180.3771.0045.21SOATOM5796OH2TIP31914.571131.77089.3471.0049.06SOATOM5797OH2TIP32057.50345.19186.4641.0046.59SOATOM5798OH2TIP32138.36797.32582.8341.0038.48SOATOM5799OH2TIP32240.06586.711104.8411.0043.33SOATOM5800OH2TIP3231.12193.359106.0841.0040.45SOATOM5801OH2TIP32456.16697.830100.5321.0036.80SOATOM5802OH2TIP32526.75149.03374.0041.0037.09SOATOM5803OH2TIP32620.057110.30288.6271.0043.74SOATOM5804OH2TIP32727.61160.41465.9991.0037.95SOATOM5805OH2TIP32829.38198.811107.3291.0040.90SOATOM5806OH2TIP32939.04782.54369.2501.0035.37SOATOM5807OH2TIP330−5.421142.86979.8291.0028.74SOATOM5808OH2TIP3318.705135.92574.0141.0030.66SOATOM5809OH2TIP332−1.388130.21192.4991.0030.02SOATOM5810OH2TIP3334.980117.479111.1611.0031.68SOATOM5811OH2TIP3344.11959.55391.6391.0035.25SOATOM5812OH2TIP33541.983101.90298.1721.0026.16SOATOM5813OH2TIP3365.654135.95386.0081.0029.65SOATOM5814OH2TIP33742.97495.41584.1281.0025.96SOATOM5815OH2TIP338−9.960104.26685.4611.0034.54SOATOM5816OH2TIP3390.445112.53875.0001.0019.89SOATOM5817OH2TIP34048.93083.24292.8011.0039.28SOATOM5818OH2TIP341−9.25686.18690.2521.0031.11SOATOM5819OH2TIP3420.87282.024100.6101.0048.25SOATOM5820OH2TIP34313.45293.009100.6531.0034.69SOATOM5821OH2TIP344−7.347112.12480.6031.0030.30SOATOM5822OH2TIP34520.904130.01876.5921.0021.44SOATOM5823OH2TIP346−7.019121.374101.9841.0053.07SOATOM5824OH2TIP3478.73691.595101.1561.0041.62SOATOM5825OH2TIP34851.20362.21390.2961.0043.99SOATOM5826OH2TIP34940.45646.77076.1751.0063.64SOATOM5827OH2TIP35053.41183.32898.2111.0044.44SOATOM5828OH2TIP35151.25460.05493.6831.0032.60SOATOM5829OH2TIP35229.51393.60199.9231.0044.46SOATOM5830OH2TIP35321.902125.45566.3421.0053.61SOATOM5831OH2TIP354−10.119128.28193.7731.0055.82SOATOM5832OH2TIP35551.88794.144101.7021.0044.26SOATOM5833OH2TIP3564.798131.273109.9051.0032.80SOATOM5834OH2TIP35750.78348.94994.6101.0024.54SOATOM5835OH2TIP35830.963127.04582.3581.0022.12SOATOM5836OH2TIP35928.14960.606106.3681.0044.38SOATOM5837OH2TIP3603.996136.867104.2971.0046.84SOATOM5838OH2TIP361−3.461107.62771.7131.0041.58SOATOM5839OH2TIP36251.92755.28993.1651.0034.37SOATOM5840OH2TIP36311.662114.00161.8281.0046.84SOATOM5841OH2TIP36420.034134.88192.1361.0043.39SOATOM5842OH2TIP3658.625118.68865.7881.0068.06SOATOM5843OH2TIP36626.65256.02467.8831.0035.76SOATOM5844OH2TIP3677.449137.01295.1221.0034.24SOATOM5845OH2TIP36817.81849.539101.9111.0023.94SOATOM5846OH2TIP36920.960130.88889.8071.0037.77SOATOM5847OH2TIP37022.53266.087115.7341.0031.96SOATOM5848OH2TIP37146.28554.29993.5321.0042.79SOATOM5849OH2TIP37227.61163.23864.7981.0053.87SOATOM5850OH2TIP373−21.93085.69787.8891.0044.63SOATOM5851OH2TIP3746.611126.84593.4031.0043.76SOATOM5852OH2TIP37520.01849.23172.3851.0044.58SOATOM5853OH2TIP37632.888103.08986.9831.0089.08SOATOM5854OH2TIP37716.54483.68175.8071.0038.12SOATOM5855OH2TIP37825.390104.149110.0931.0043.02SOATOM5856OH2TIP3796.595136.61081.3971.0026.37SOATOM5857OH2TIP38054.56387.45787.6631.0057.73SOATOM5858OH2TIP38116.90979.61677.1071.0039.63SOATOM5859OH2TIP38214.58099.107108.2561.0028.38SOATOM5860OH2TIP383−11.878113.13692.4371.0042.07SOATOM5861OH2TIP3841.175106.349112.2411.0055.22SOATOM5862OH2TIP385−17.189138.34886.7361.0049.96SOATOM5863OH2TIP38626.821112.950103.1861.0039.63SOATOM5864OH2TIP38713.325109.20596.2791.0038.56SOATOM5865OH2TIP38845.78138.57286.7101.0037.13SOATOM5866OH2TIP3896.138124.848111.7181.0041.73SOATOM5867OH2TIP39025.71448.03181.4741.0046.93SOATOM5868OH2TIP39130.229104.29299.7771.0025.10SOATOM5869OH2TIP39221.24064.832108.2311.0041.16SOATOM5870OH2TIP39319.04788.06390.1011.0040.04SOATOM5871OH2TIP394−10.386126.74495.8481.0035.65SOATOM5872OH2TIP39524.12587.089104.7671.0044.40SOATOM5873OH2TIP396−9.972113.93397.1271.0021.56SOATOM5874OH2TIP39720.99280.44086.3801.0027.03SOATOM5875OH2TIP39817.13273.72878.3621.0022.99SOATOM5876OH2TIP39940.50688.21778.6121.0029.97SOATOM5877OH2TIP40019.832109.94661.7631.0031.99SOATOM5878OH2TIP401−15.47596.74098.5781.0037.30SOATOM5879OH2TIP402−11.241123.69285.3561.0048.33SOATOM5880OH2TIP4032.74587.64182.8641.0045.50SOATOM5881OH2TIP40421.142100.149111.4601.0040.96SOATOM5882OH2TIP40513.667126.80866.8881.0036.96SOATOM5883OH2TIP40623.180108.65184.4351.0042.00SOATOM5884OH2TIP40723.03262.20768.5471.0025.26SOATOM5885OH2TIP408−16.777111.09292.2021.0040.25SOATOM5886OH2TIP40911.842101.374100.0831.0044.74SOATOM5887OH2TIP41029.590109.71476.7511.0031.48SOATOM5888OH2TIP41136.32086.142108.0341.0036.38SOATOM5889OH2TIP41220.217124.611110.8281.0072.85SOATOM5890OH2TIP41322.124102.78975.8651.0038.10SOATOM5891OH2TIP41449.24556.53196.3991.0048.41SOATOM5892OH2TIP4150.080134.59592.0671.0038.72SOATOM5893OH2TIP41649.47593.483100.2521.0040.82SOATOM5894OH2TIP41731.59962.47996.0431.0060.27SOATOM5895OH2TIP418−13.179123.98888.2681.0038.76SOEND Table 5. Eg5 ligand binding site/compound 2 X-ray coordinates. 10 Angstrom shell of the binding pocket. Table 5 discloses residues 111-121, 123-141, 158-162, 169-172, 206-222 and 236-241 of SEQ ID NO: 1, respectively, in order of appearance. TABLE 5Eg5 ligand binding site/compound 2 X-ray coordinates. 10 Angstrom shell ofthe binding pocket. Table 5 discloses residues 111-121, 123-141, 158-162,169-172, 206-222 and 236-241 of SEQ ID NO: 1, respectively, in order of appearance.ATOM1MGMGA300118.02515.45534.7951.0058.63COFAMGTER2MGA3001ATOM3N1ADPA40018.7729.80126.4221.0035.28COFA NATOM4C2ADPA40019.9639.53325.7791.0036.55COFA CATOM5N3ADPA400111.2059.45026.3551.0035.70COFA NATOM6C1*ADPA400113.6529.40528.3691.0035.41COFA CATOM7C4ADPA400111.1649.69027.7201.0032.74COFA CATOM8C5ADPA400110.0129.96928.4911.0032.95COFA CATOM9C6ADPA40018.77710.02727.7831.0034.10COFA CATOM10N6ADPA40017.62810.28228.4011.0031.01COFA NATOM11N7ADPA400110.32210.14229.8011.0034.31COFA NATOM12C8ADPA400111.6009.95529.8321.0034.86COFA CATOM13N9ADPA400112.2139.66228.6151.0034.69COFA NATOM14C2*ADPA400114.20310.67827.6811.0037.68COFA CATOM15O2*ADPA400114.08110.75526.2891.0038.72COFA OATOM16C3*ADPA400115.59710.73328.1901.0039.03COFA CATOM17O3*ADPA400116.4409.79527.4971.0036.14COFA OATOM18O1AADPA400117.22114.20131.9591.0050.75COFA OATOM19O1BADPA400115.70012.02935.5841.0048.30COFA OATOM20C4*ADPA400115.50310.26029.6421.0038.39COFA CATOM21O4*ADPA400114.3599.43329.6691.0037.03COFA OATOM22O2AADPA400118.05911.95530.9511.0050.92COFA OATOM23O2BADPA400114.30512.41833.5811.0049.70COFA OATOM24C5*ADPA400114.88211.37630.6751.0038.79COFA CATOM25O5*ADPA400115.52012.54731.0321.0036.50COFA OATOM26O3AADPA400116.75912.09433.3211.0049.32COFA OATOM27O3BADPA400115.91314.26334.4591.0047.17COFA OATOM28PAADPA400116.88512.72231.8091.0054.35COFA PATOM29PBADPA400115.65912.67634.3051.0043.94COFA PTER30ADPA4001ATOM31C1LIGA100117.36424.52729.6211.0048.97LIGA CATOM32C2LIGA100116.88924.21828.2791.0048.55LIGA CATOM33C3LIGA100116.47324.59130.7501.0050.33LIGA CATOM34C4LIGA100116.96924.88532.0521.0050.68LIGA CATOM35C5LIGA100118.36025.12732.2521.0051.58LIGA CATOM36C6LIGA100119.25525.07631.1481.0050.97LIGA CATOM37C7LIGA100118.76124.77329.8391.0050.69LIGA CATOM38N8LIGA100117.70923.97727.2081.0048.34LIGA NATOM39C9LIGA100116.90423.71926.1381.0046.52LIGA CATOM40C10LIGA100117.38123.39424.7381.0046.69LIGA CATOM41N11LIGA100117.95721.99424.6941.0046.52LIGA NATOM42C12LIGA100117.38821.01723.8871.0047.03LIGA CATOM43O13LIGA100117.92219.91223.7531.0046.63LIGA OATOM44C14LIGA100116.16921.17223.1631.0048.57LIGA CATOM45C15LIGA100119.23721.68725.4341.0044.80LIGA CATOM46C16LIGA100119.07421.02226.8291.0044.30LIGA CATOM47C17LIGA100118.81219.50326.8471.0046.82LIGA CATOM48N18LIGA100118.05919.10328.0561.0046.84LIGA NATOM49C19LIGA100118.37824.49424.2661.0046.80LIGA CATOM50C20LIGA100117.77125.91624.2621.0047.54LIGA CATOM51C21LIGA100118.91624.24922.8441.0047.74LIGA CATOM52N22LIGA100115.61923.81726.5611.0047.65LIGA NATOM53C23LIGA100114.38523.63525.7551.0048.29LIGA CATOM54C24LIGA100114.04824.87024.9081.0047.10LIGA CATOM55C25LIGA100115.64124.11727.8841.0047.59LIGA CATOM56C26LIGA100113.84924.72523.5061.0046.06LIGA CATOM57C27LIGA100113.52125.85622.7101.0046.57LIGA CATOM58C28LIGA100113.38827.14623.3191.0046.61LIGA CATOM59C29LIGA100113.58927.29224.7231.0047.26LIGA CATOM60C30LIGA100113.91526.16025.5101.0045.90LIGA CATOM61C31LIGA100116.13221.71921.8241.0049.21LIGA CATOM62C32LIGA100114.88321.84821.1331.0049.32LIGA CATOM63C33LIGA100113.65621.43121.7681.0049.37LIGA CATOM64C34LIGA100112.33821.56721.0411.0048.83LIGA CATOM65C35LIGA100113.68720.89223.0881.0048.92LIGA CATOM66C36LIGA100114.93020.76123.7801.0048.76LIGA CTER67LIGA1001ATOM68NGLNA 783.93515.35825.2591.0030.53MOLA NATOM69CAGLNA 784.28716.63425.8901.0028.43MOLA CATOM70CGLNA 783.14617.65825.8491.0028.91MOLA CATOM71OGLNA 782.82618.28726.8661.0029.77MOLA OATOM72CBGLNA 785.50217.25225.1971.0026.32MOLA CATOM73CGGLNA 786.74416.36925.1391.0022.54MOLA CATOM74CDGLNA 787.46716.31526.4571.0022.44MOLA CATOM75NE2GLNA 788.72516.75626.4681.0021.32MOLA NATOM76OE1GLNA 786.90415.88727.4621.0023.63MOLA OTER77GLNA 78ATOM78NLYSA 11112.17113.70834.4151.0023.51MOLA NATOM79CALYSA 11112.21315.07034.9171.0022.07MOLA CATOM80CLYSA 11112.57916.08833.8581.0023.88MOLA CATOM81OLYSA 11111.79817.00833.5781.0022.73MOLA OATOM82CBLYSA 11113.19315.17636.0791.0023.46MOLA CATOM83CGLYSA 11112.53115.23737.4381.0024.81MOLA CATOM84CDLYSA 11112.99614.14638.3851.0026.27MOLA CATOM85CELYSA 11114.49614.20138.6331.0027.85MOLA CATOM86NZLYSA 11115.18113.04337.9911.0025.91MOLA NATOM87NTHRA 11213.75215.92133.2491.0024.45MOLA NATOM88CATHRA 11214.19516.87232.2251.0025.33MOLA CATOM89CTHRA 11213.38616.80030.9321.0023.67MOLA CATOM90OTHRA 11213.14017.81930.2821.0019.71MOLA OATOM91CBTHRA 11215.66116.67931.8811.0024.94MOLA CATOM92CG2THRA 11216.15617.83630.9941.0024.69MOLA CATOM93OG1THRA 11216.41816.65433.0921.0030.07MOLA OATOM94NPHEA 11312.98815.59130.5541.0022.57MOLA NATOM95CAPHEA 11312.19115.42529.3511.0022.32MOLA CATOM96CPHEA 11310.88716.21229.5031.0022.95MOLA CATOM97OPHEA 11310.40816.83728.5611.0020.59MOLA OATOM98CBPHEA 11311.85813.95029.1281.0020.62MOLA CATOM99CGPHEA 11311.00713.71427.9271.0021.47MOLA CATOM100CD1PHEA 11311.55813.77026.6511.0021.89MOLA CATOM101CD2PHEA 1139.64813.49128.0591.0020.48MOLA CATOM102CE1PHEA 11310.76913.60825.5411.0021.91MOLA CATOM103CE2PHEA 1138.85413.33026.9521.0020.99MOLA CATOM104CZPHEA 1139.41313.38825.6891.0019.96MOLA CATOM105NTHRA 11410.31416.14830.7021.0023.95MOLA NATOM106CATHRA 1149.07716.84131.0131.0025.38MOLA CATOM107CTHRA 1149.27218.35931.1021.0026.64MOLA CATOM108OTHRA 1148.52719.13430.5031.0027.81MOLA OATOM109CBTHRA 1148.50816.35232.3531.0023.89MOLA CATOM110CG2THRA 1147.34317.22732.7961.0023.72MOLA CATOM111OG1THRA 1148.05915.00232.2131.0027.14MOLA OATOM112NMETA 11510.28918.77431.8441.0027.38MOLA NATOM113CAMETA 11510.54820.19232.0431.0028.73MOLA CATOM114CMETA 11511.13820.92230.8431.0029.72MOLA CATOM115OMETA 11510.77322.06830.5671.0029.54MOLA OATOM116CBMETA 11511.45520.38033.2611.0027.73MOLA CATOM117CGMETA 11510.93721.43434.2161.0032.69MOLA CATOM118SDMETA 1159.22621.13334.7071.0030.88MOLA SATOM119CEMETA 1158.99222.36035.9551.0033.70MOLA CATOM120NGLUA 11612.02720.25030.1181.0030.43MOLA NATOM121CAGLUA 11612.69020.85628.9791.0031.16MOLA CATOM122CGLUA 11612.31020.29027.6191.0031.67MOLA CATOM123OGLUA 11612.06321.04526.6771.0031.91MOLA OATOM124CBGLUA 11614.19920.75429.1801.0032.39MOLA CATOM125CGGLUA 11614.62921.18630.5631.0033.59MOLA CATOM126CDGLUA 11616.12821.29930.7071.0034.86MOLA CATOM127OE1GLUA 11616.56921.80631.7601.0037.55MOLA OATOM128OE2GLUA 11616.85820.88529.7831.0031.10MOLA OATOM129NGLYA 11712.27618.97127.5051.0030.88MOLA NATOM130CAGLYA 11711.93118.37926.2351.0032.99MOLA CATOM131CGLYA 11713.18518.14825.4261.0035.24MOLA CATOM132OGLYA 11714.27918.43425.8821.0034.98MOLA OATOM133NGLUA 11813.02217.63924.2141.0038.49MOLA NATOM134CAGLUA 11814.14717.34623.3291.0042.88MOLA CATOM135CGLUA 11813.82717.78721.9001.0045.13MOLA CATOM136OGLUA 11812.68018.11121.5721.0043.43MOLA OATOM137CBGLUA 11814.44015.83423.3231.0043.61MOLA CATOM138CGGLUA 11815.32915.33724.4401.0046.66MOLA CATOM139CDGLUA 11815.15513.85124.7171.0048.14MOLA CATOM140OE1GLUA 11814.89913.09023.7541.0050.02MOLA OATOM141OE2GLUA 11815.28413.44925.8981.0047.70MOLA OATOM142NARGA 11914.84617.81321.0481.0047.27MOLA NATOM143CAARGA 11914.60818.17719.6661.0050.08MOLA CATOM144CARGA 11914.20816.85919.0171.0050.67MOLA CATOM145OARGA 11914.73915.78819.3601.0049.62MOLA OATOM146CBARGA 11915.87318.75719.0211.0052.71MOLA CATOM147CGARGA 11915.58519.71417.8561.0055.78MOLA CATOM148CDARGA 11914.31520.54818.1291.0058.04MOLA CATOM149NEARGA 11914.16621.71117.2491.0060.04MOLA NATOM150CZARGA 11914.94922.79117.2901.0061.75MOLA CATOM151NH1ARGA 11915.94122.86518.1721.0060.87MOLA NATOM152NH2ARGA 11914.74923.79816.4431.0061.40MOLA NATOM153NSERA 12013.25516.92818.1011.0050.63MOLA NATOM154CASERA 12012.78115.73117.4371.0051.64MOLA CATOM155CSERA 12013.79115.26816.3831.0054.06MOLA CATOM156OSERA 12014.31116.08215.6091.0053.36MOLA OATOM157CBSERA 12011.42716.01516.7931.0049.74MOLA CATOM158OGSERA 12010.58914.88016.8441.0049.07MOLA OATOM159NPROA 12114.10213.95616.3631.0055.58MOLA NATOM160CAPROA 12115.04613.36515.4101.0057.86MOLA CATOM161CPROA 12114.56013.61213.9851.0060.14MOLA CATOM162OPROA 12115.35513.65113.0441.0060.42MOLA OATOM163CBPROA 12115.03111.88615.7861.0057.08MOLA CATOM164CGPROA 12114.80911.93217.2601.0055.62MOLA CATOM165CDPROA 12113.70512.96217.3761.0056.17MOLA CTER166PROA 121ATOM167NGLUA 12313.96016.06212.7731.0064.44MOLA NATOM168CAGLUA 12314.76917.20312.3491.0064.82MOLA CATOM169CGLUA 12313.98018.29011.6231.0064.56MOLA CATOM170OGLUA 12314.45619.41611.4811.0065.54MOLA OATOM171CBGLUA 12315.92316.70911.4691.0065.57MOLA CATOM172CGGLUA 12316.70117.78510.7211.0068.11MOLA CATOM173CDGLUA 12317.41018.76911.6361.0069.60MOLA CATOM174OE1GLUA 12316.78119.77812.0311.0071.08MOLA OATOM175OE2GLUA 12318.59818.53111.9591.0068.54MOLA OATOM176NGLUA 12412.76617.96811.1911.0063.07MOLA NATOM177CAGLUA 12411.96418.93910.4641.0062.36MOLA CATOM178CGLUA 12410.95919.67911.3511.0060.55MOLA CATOM179OGLUA 1249.74319.62011.1151.0061.29MOLA OATOM180CBGLUA 12411.22418.2509.3031.0065.13MOLA CATOM181CGGLUA 12411.97717.0698.6451.0067.64MOLA CATOM182CDGLUA 12413.23617.4717.8731.0068.37MOLA CATOM183OE1GLUA 12414.10818.1708.4401.0066.90MOLA OATOM184OE2GLUA 12413.35317.0666.6931.0068.66MOLA OATOM185NTYRA 12511.45920.38012.3641.0055.92MOLA NATOM186CATYRA 12510.58821.14313.2551.0051.40MOLA CATOM187CTYRA 12511.30622.32913.8731.0050.33MOLA CATOM188OTYRA 12512.46822.22614.2541.0050.06MOLA OATOM189CBTYRA 12510.08320.28214.4101.0049.05MOLA CATOM190CGTYRA 1259.08119.20414.0741.0046.58MOLA CATOM191CD1TYRA 1257.80119.52313.6621.0044.96MOLA CATOM192CD2TYRA 1259.40617.85914.2331.0045.04MOLA CATOM193CE1TYRA 1256.86918.53513.4241.0045.11MOLA CATOM194CE2TYRA 1258.48516.86713.9971.0044.42MOLA CATOM195CZTYRA 1257.21617.20813.5961.0044.88MOLA CATOM196OHTYRA 1256.28716.22213.3771.0045.06MOLA OATOM197NTHRA 12610.61723.46113.9591.0049.56MOLA NATOM198CATHRA 12611.18724.62514.6141.0049.43MOLA CATOM199CTHRA 12610.83224.34916.0791.0049.91MOLA CATOM200OTHRA 1269.82023.69316.3521.0048.32MOLA OATOM201CBTHRA 12610.52725.93014.1361.0049.99MOLA CATOM202CG2THRA 12611.07926.33412.7911.0050.07MOLA CATOM203OG1THRA 1269.10825.74814.0301.0053.03MOLA OATOM204NTRPA 12711.64524.82717.0221.0050.21MOLA NATOM205CATRPA 12711.36924.55018.4261.0048.63MOLA CATOM206CTRPA 1279.96424.89618.8871.0048.83MOLA CATOM207OTRPA 1279.40524.19619.7321.0048.83MOLA OATOM208CBTRPA 12712.38525.23119.3391.0046.54MOLA CATOM209CGTRPA 12712.31626.72119.3891.0043.87MOLA CATOM210CD1TRPA 12713.05327.59418.6531.0042.03MOLA CATOM211CD2TRPA 12711.53127.51720.2961.0042.26MOLA CATOM212CE2TRPA 12711.86028.86820.0531.0041.96MOLA CATOM213CE3TRPA 12710.58927.21621.2911.0040.05MOLA CATOM214NE1TRPA 12712.78928.88519.0471.0042.75MOLA NATOM215CZ2TRPA 12711.28429.92220.7701.0040.66MOLA CATOM216CZ3TRPA 12710.02028.26122.0051.0040.13MOLA CATOM217CH2TRPA 12710.37229.60121.7391.0040.15MOLA CATOM218NGLUA 1289.37925.95318.3381.0048.03MOLA NATOM219CAGLUA 1288.03726.33218.7441.0048.42MOLA CATOM220CGLUA 1286.99225.33318.2671.0048.05MOLA CATOM221OGLUA 1285.86625.33918.7401.0047.91MOLA OATOM222CBGLUA 1287.66927.71718.2131.0050.74MOLA CATOM223CGGLUA 1288.67428.81018.5091.0054.06MOLA CATOM224CDGLUA 1289.63929.01517.3611.0057.42MOLA CATOM225OE1GLUA 12810.35728.05116.9991.0057.54MOLA OATOM226OE2GLUA 1289.66630.14316.8161.0059.51MOLA OATOM227NGLUA 1297.35724.45917.3431.0048.69MOLA NATOM228CAGLUA 1296.39423.49316.8331.0048.78MOLA CATOM229CGLUA 1296.79622.04917.1031.0048.18MOLA CATOM230OGLUA 1296.06121.11616.7741.0047.94MOLA OATOM231CBGLUA 1296.21323.70315.3281.0051.98MOLA CATOM232CGGLUA 1295.66525.08314.9481.0056.61MOLA CATOM233CDGLUA 1295.84625.42613.4641.0059.78MOLA CATOM234OE1GLUA 1295.45126.54513.0681.0061.92MOLA OATOM235OE2GLUA 1296.38224.59212.6971.0060.67MOLA OATOM236NASPA 1307.95821.85817.7141.0045.89MOLA NATOM237CAASPA 1308.43520.51517.9801.0043.97MOLA CATOM238CASPA 1307.58319.75819.0071.0042.85MOLA CATOM239OASPA 1307.40420.18120.1491.0041.54MOLA OATOM240CBASPA 1309.90520.56218.4151.0043.29MOLA CATOM241CGASPA 13010.62919.24718.1731.0042.49MOLA CATOM242OD1ASPA 13011.81819.29117.7711.0042.14MOLA OATOM243OD2ASPA 13010.01118.17518.3871.0041.45MOLA OATOM244NPROA 1317.04218.61318.5911.0041.35MOLA NATOM245CAPROA 1316.20317.75919.4291.0041.00MOLA CATOM246CPROA 1316.89317.27420.6981.0039.33MOLA CATOM247OPROA 1316.23116.93621.6691.0041.64MOLA OATOM248CBPROA 1315.85416.59918.4981.0040.29MOLA CATOM249CGPROA 1315.87617.22817.1501.0040.33MOLA CATOM250CDPROA 1317.10518.09817.2151.0040.58MOLA CATOM251NLEUA 1328.21917.23520.6931.0037.41MOLA NATOM252CALEUA 1328.96016.75721.8551.0033.88MOLA CATOM253CLEUA 1329.35417.84822.8421.0031.79MOLA CATOM254OLEUA 1329.99817.57423.8511.0032.48MOLA OATOM255CBLEUA 13210.20915.99121.3931.0033.03MOLA CATOM256CGLEUA 1329.90214.66820.6841.0033.61MOLA CATOM257CD1LEUA 13211.20313.97220.3341.0031.78MOLA CATOM258CD2LEUA 1329.02213.77921.5741.0030.59MOLA CATOM259NALAA 1338.97819.08622.5461.0030.22MOLA NATOM260CAALAA 1339.28320.20523.4271.0029.13MOLA CATOM261CALAA 1338.62520.04924.8141.0029.42MOLA CATOM262OALAA 1337.47719.60024.9411.0026.92MOLA OATOM263CBALAA 1338.83321.49622.7831.0027.97MOLA CATOM264NGLYA 1349.36320.42625.8511.0028.80MOLA NATOM265CAGLYA 1348.84520.31427.2011.0029.81MOLA CATOM266CGLYA 1348.16621.58427.6851.0030.21MOLA CATOM267OGLYA 1347.98622.54326.9251.0031.59MOLA OATOM268NILEA 1357.79921.59628.9591.0026.84MOLA NATOM269CAILEA 1357.11722.73829.5381.0025.65MOLA CATOM270CILEA 1357.80824.09529.3631.0025.68MOLA CATOM271OILEA 1357.19225.05428.9141.0025.73MOLA OATOM272CBILEA 1356.88822.50531.0251.0024.80MOLA CATOM273CG1ILEA 1356.10821.21231.2091.0021.39MOLA CATOM274CG2ILEA 1356.18023.70231.6371.0022.91MOLA CATOM275CD1ILEA 1356.10420.72232.6071.0022.61MOLA CATOM276NILEA 1369.08124.18329.7251.0026.13MOLA NATOM277CAILEA 1369.79425.45629.6241.0026.33MOLA CATOM278CILEA 1369.58926.19428.2961.0027.04MOLA CATOM279OILEA 1369.01627.28928.2691.0026.55MOLA OATOM280CBILEA 13611.29825.26429.9331.0024.26MOLA CATOM281CG1ILEA 13611.46825.03931.4431.0024.14MOLA CATOM282CG2ILEA 13612.08226.48529.5211.0023.25MOLA CATOM283CD1ILEA 13612.68524.21431.8411.0023.01MOLA CATOM284NPROA 13710.01625.59327.1801.0027.44MOLA NATOM285CAPROA 1379.86826.21625.8561.0027.12MOLA CATOM286CPROA 1378.41726.58125.5011.0027.08MOLA CATOM287OPROA 1378.15027.71025.0701.0028.33MOLA OATOM288CBPROA 13710.43125.16724.8931.0025.22MOLA CATOM289CGPROA 13711.10824.17225.7621.0025.48MOLA CATOM290CDPROA 13710.43924.18827.0671.0027.63MOLA CATOM291NARGA 1387.49425.62725.6531.0025.47MOLA NATOM292CAARGA 1386.09125.87525.3361.0025.58MOLA CATOM293CARGA 1385.51627.02026.1641.0026.48MOLA CATOM294OARGA 1384.60527.71125.7361.0028.23MOLA OATOM295CBARGA 1385.23724.64225.5911.0024.49MOLA CATOM296CGARGA 1385.62623.42624.8051.0025.67MOLA CATOM297CDARGA 1384.78122.24925.2381.0025.39MOLA CATOM298NEARGA 1385.20921.04224.5671.0026.84MOLA NATOM299CZARGA 1384.70420.60423.4251.0029.15MOLA CATOM300NH1ARGA 1383.72921.27922.8321.0028.31MOLA NATOM301NH2ARGA 1385.19919.50522.8611.0028.81MOLA NATOM302NTHRA 1396.04227.22027.3561.0026.24MOLA NATOM303CATHRA 1395.53828.27528.2021.0026.93MOLA CATOM304CTHRA 1396.02929.63027.7171.0027.45MOLA CATOM305OTHRA 1395.26130.59127.6321.0026.68MOLA OATOM306CBTHRA 1395.97428.05129.6601.0026.74MOLA CATOM307CG2THRA 1395.46429.18130.5621.0026.06MOLA CATOM308OG1THRA 1395.45626.80030.1111.0023.80MOLA OATOM309NLEUA 1407.31029.71427.3991.0028.37MOLA NATOM310CALEUA 1407.85930.97426.9291.0030.71MOLA CATOM311CLEUA 1407.16131.39025.6401.0031.42MOLA CATOM312OLEUA 1406.94032.57925.4011.0029.98MOLA OATOM313CBLEUA 1409.37230.84326.7321.0029.55MOLA CATOM314CGLEUA 14010.06130.71028.1001.0031.11MOLA CATOM315CD1LEUA 14011.52230.30627.9321.0031.08MOLA CATOM316CD2LEUA 1409.94132.02828.8491.0029.53MOLA CATOM317NHISA 1416.79030.39824.8361.0032.39MOLA NATOM318CAHISA 1416.10630.64223.5761.0034.39MOLA CATOM319CHISA 1414.70531.18623.8301.0034.09MOLA CATOM320OHISA 1414.27832.16123.2081.0031.66MOLA OATOM321CBHISA 1416.01429.34922.7741.0038.62MOLA CATOM322CGHISA 1415.32129.50321.4551.0043.11MOLA CATOM323CD2HISA 1414.12029.05121.0201.0044.46MOLA CATOM324ND1HISA 1415.88430.17620.3891.0044.25MOLA NATOM325CE1HISA 1415.06230.12719.3561.0043.32MOLA CATOM326NE2HISA 1413.98629.45019.7111.0044.64MOLA NTER327HISA 141ATOM328NPHEA 1444.47134.87725.1861.0035.92MOLA NATOM329CAPHEA 1444.61435.80924.0801.0036.63MOLA CATOM330CPHEA 1443.40235.83223.1521.0036.61MOLA CATOM331OPHEA 1442.92336.90222.7671.0035.66MOLA OATOM332CBPHEA 1445.87635.48423.2971.0035.75MOLA CATOM333CGPHEA 1447.12036.00523.9471.0037.27MOLA CATOM334CD1PHEA 1447.43137.35723.8951.0036.45MOLA CATOM335CD2PHEA 1447.96135.15624.6441.0037.35MOLA CATOM336CE1PHEA 1448.55337.84024.5271.0036.66MOLA CATOM337CE2PHEA 1449.08935.63825.2801.0036.43MOLA CATOM338CZPHEA 1449.38636.97725.2241.0036.20MOLA CTER339PHEA 144ATOM340NVALA 15814.05436.33532.4381.0032.93MOLA NATOM341CAVALA 15814.24734.99432.9741.0032.88MOLA CATOM342CVALA 15815.49434.89633.8401.0034.27MOLA CATOM343OVALA 15816.39735.73433.7691.0035.45MOLA OATOM344CBVALA 15814.40133.94631.8501.0032.12MOLA CATOM345CG1VALA 15813.10933.84031.0281.0031.77MOLA CATOM346CG2VALA 15815.58034.31430.9701.0029.49MOLA CATOM347NSERA 15915.53933.86134.6651.0033.35MOLA NATOM348CASERA 15916.67833.62335.5261.0032.63MOLA CATOM349CSERA 15916.81232.12235.6431.0031.30MOLA CATOM350OSERA 15915.83631.38635.5771.0029.96MOLA OATOM351CBSERA 15916.46734.25636.9001.0033.14MOLA CATOM352OGSERA 15915.31733.71737.5281.0038.45MOLA OATOM353NLEUA 16018.03431.66035.8051.0033.35MOLA NATOM354CALEUA 16018.26430.23335.9041.0033.68MOLA CATOM355CLEUA 16019.33329.96436.9301.0033.78MOLA CATOM356OLEUA 16020.49230.31336.7341.0034.26MOLA OATOM357CBLEUA 16018.71129.70234.5541.0034.55MOLA CATOM358CGLEUA 16019.03028.21734.4941.0035.04MOLA CATOM359CD1LEUA 16017.79627.38934.8371.0033.75MOLA CATOM360CD2LEUA 16019.54527.91233.0941.0035.95MOLA CATOM361NLEUA 16118.94629.35438.0351.0034.16MOLA NATOM362CALEUA 16119.92429.05039.0601.0036.08MOLA CATOM363CLEUA 16119.96527.55039.3331.0036.63MOLA CATOM364OLEUA 16118.97226.84339.1791.0035.64MOLA OATOM365CBLEUA 16119.60729.82940.3461.0034.42MOLA CATOM366CGLEUA 16118.48529.31641.2381.0032.57MOLA CATOM367CD1LEUA 16118.99128.16142.0791.0033.34MOLA CATOM368CD2LEUA 16118.02330.42442.1351.0033.60MOLA CATOM369NGLUA 16221.13327.07039.7291.0039.03MOLA NATOM370CAGLUA 16221.29025.66240.0341.0041.79MOLA CATOM371CGLUA 16221.71625.52541.4841.0041.84MOLA CATOM372OGLUA 16222.69526.14441.9051.0042.02MOLA OATOM373CBGLUA 16222.34825.04739.1351.0044.04MOLA CATOM374CGGLUA 16222.63423.60139.4481.0050.66MOLA CATOM375CDGLUA 16223.95623.13738.8581.0053.98MOLA CATOM376OE1GLUA 16224.08323.07437.6101.0054.84MOLA OATOM377OE2GLUA 16224.87222.84439.6591.0056.25MOLA OTER378GLUA 162ATOM379NPHEA 16924.36628.57742.3161.0041.39MOLA NATOM380CAPHEA 16925.15428.94741.1451.0041.07MOLA CATOM381CPHEA 16924.26929.57140.0621.0039.87MOLA CATOM382OPHEA 16923.15529.10839.8051.0039.12MOLA OATOM383CBPHEA 16925.90127.73240.5921.0041.16MOLA CATOM384CGPHEA 16926.73927.03341.6111.0044.56MOLA CATOM385CD1PHEA 16926.19426.03842.4161.0044.90MOLA CATOM386CD2PHEA 16928.07227.38341.7921.0045.82MOLA CATOM387CE1PHEA 16926.96425.40043.3841.0044.77MOLA CATOM388CE2PHEA 16928.85326.74742.7631.0045.48MOLA CATOM389CZPHEA 16928.29425.75343.5591.0044.78MOLA CATOM390NASPA 17024.77530.63039.4371.0040.16MOLA NATOM391CAASPA 17024.04631.34838.3951.0040.22MOLA CATOM392CASPA 17024.38030.76937.0391.0040.27MOLA CATOM393OASPA 17025.50630.90536.5711.0040.41MOLA OATOM394CBASPA 17024.42532.82438.4191.0039.14MOLA CATOM395CGASPA 17023.50533.67037.5721.0041.31MOLA CATOM396OD1ASPA 17022.93433.13336.5921.0040.76MOLA OATOM397OD2ASPA 17023.36134.87737.8801.0042.03MOLA OATOM398NLEUA 17123.40330.13136.4011.0041.12MOLA NATOM399CALEUA 17123.63129.52635.0931.0041.67MOLA CATOM400CLEUA 17123.47330.50033.9381.0043.14MOLA CATOM401OLEUA 17123.86330.20232.8141.0043.43MOLA OATOM402CBLEUA 17122.69428.33434.8871.0040.76MOLA CATOM403CGLEUA 17123.01527.08735.7171.0039.98MOLA CATOM404CD1LEUA 17122.04025.96635.3741.0040.11MOLA CATOM405CD2LEUA 17124.42426.64235.4351.0038.40MOLA CATOM406NLEUA 17222.91531.67334.1981.0045.88MOLA NATOM407CALEUA 17222.74432.64633.1251.0049.92MOLA CATOM408CLEUA 17223.72133.81233.1761.0053.22MOLA CATOM409OLEUA 17223.47034.85332.5751.0054.57MOLA OATOM410CBLEUA 17221.30833.17833.1051.0048.10MOLA CATOM411CGLEUA 17220.35432.42032.1761.0047.12MOLA CATOM412CD1LEUA 17220.72630.96732.1421.0045.79MOLA CATOM413CD2LEUA 17218.92032.59432.6411.0046.60MOLA CTER414LEUA 172ATOM415NVALA 20414.13539.05527.9111.0051.02MOLA NATOM416CAVALA 20413.75938.43826.6431.0051.45MOLA CATOM417CVALA 20412.83339.40625.9071.0052.25MOLA CATOM418OVALA 20411.73339.70326.3831.0051.24MOLA OATOM419CBVALA 20413.00237.09926.8841.0051.30MOLA CATOM420CG1VALA 20412.88836.31625.5851.0051.03MOLA CATOM421CG2VALA 20413.71436.27727.9511.0049.87MOLA CTER422VALA 204ATOM423NASNA 20611.89339.05722.4321.0058.62MOLA NATOM424CAASNA 20611.04438.36121.4721.0061.28MOLA CATOM425CASNA 20610.97236.87521.7841.0062.28MOLA CATOM426OASNA 20611.89336.30622.3581.0061.51MOLA OATOM427CBASNA 20611.56338.56720.0471.0062.35MOLA CATOM428CGASNA 20612.83637.78619.7621.0064.37MOLA CATOM429ND2ASNA 20613.93838.50319.5681.0063.66MOLA NATOM430OD1ASNA 20612.83036.55019.7141.0066.42MOLA OATOM431NLYSA 2079.87436.24721.3821.0064.56MOLA NATOM432CALYSA 2079.66534.83521.6501.0067.76MOLA CATOM433CLYSA 20710.82033.91621.2651.0069.11MOLA CATOM434OLYSA 20711.11432.96121.9801.0070.16MOLA OATOM435CBLYSA 2078.38334.34520.9641.0069.17MOLA CATOM436CGLYSA 2078.45934.29219.4481.0071.04MOLA CATOM437CDLYSA 2077.34233.43818.8551.0071.83MOLA CATOM438CELYSA 2077.50333.31517.3421.0072.12MOLA CATOM439NZLYSA 2076.62232.28016.7411.0071.59MOLA NATOM440NASPA 20811.49034.19120.1531.0069.96MOLA NATOM441CAASPA 20812.57833.31119.7361.0071.00MOLA CATOM442CASPA 20813.96333.59320.3051.0070.04MOLA CATOM443OASPA 20814.86532.76520.1761.0070.71MOLA OATOM444CBASPA 20812.64933.24118.2071.0072.93MOLA CATOM445CGASPA 20811.65232.24417.6221.0074.34MOLA CATOM446OD1ASPA 20810.42732.48817.7181.0075.62MOLA OATOM447OD2ASPA 20812.09931.21017.0751.0074.01MOLA OATOM448NGLUA 20914.14234.74320.9431.0068.24MOLA NATOM449CAGLUA 20915.43935.06921.5241.0066.39MOLA CATOM450CGLUA 20915.70434.18122.7381.0064.12MOLA CATOM451OGLUA 20916.81034.14423.2641.0063.41MOLA OATOM452CBGLUA 20915.48036.53321.9611.0068.62MOLA CATOM453CGGLUA 20916.88537.05122.2621.0070.98MOLA CATOM454CDGLUA 20916.88538.32823.0871.0072.67MOLA CATOM455OE1GLUA 20916.07539.23522.7841.0073.94MOLA OATOM456OE2GLUA 20917.70338.42224.0321.0072.27MOLA OATOM457NVALA 21014.67833.46823.1871.0062.12MOLA NATOM458CAVALA 21014.82732.59924.3441.0060.12MOLA CATOM459CVALA 21015.74831.42124.0301.0058.02MOLA CATOM460OVALA 21016.47030.93224.9041.0057.88MOLA OATOM461CBVALA 21013.44732.05424.8341.0060.55MOLA CATOM462CG1VALA 21012.45233.19524.9511.0059.76MOLA CATOM463CG2VALA 21012.92930.97423.8951.0058.85MOLA CATOM464NTYRA 21115.73130.97522.7801.0055.45MOLA NATOM465CATYRA 21116.55229.84822.3761.0054.57MOLA CATOM466CTYRA 21118.03530.08222.6431.0055.54MOLA CATOM467OTYRA 21118.72529.20723.1671.0055.45MOLA OATOM468CBTYRA 21116.32429.53420.8961.0052.19MOLA CATOM469CGTYRA 21116.88828.19720.4751.0050.94MOLA CATOM470CD1TYRA 21118.24928.03020.2381.0050.65MOLA CATOM471CD2TYRA 21116.05927.09120.3391.0050.08MOLA CATOM472CE1TYRA 21118.76226.80119.8791.0050.18MOLA CATOM473CE2TYRA 21116.56225.86219.9811.0049.81MOLA CATOM474CZTYRA 21117.90925.71719.7511.0050.22MOLA CATOM475OHTYRA 21118.39624.47619.3941.0050.86MOLA OATOM476NGLNA 21218.53031.26022.2861.0056.74MOLA NATOM477CAGLNA 21219.93631.55922.5141.0058.30MOLA CATOM478CGLNA 21220.18931.62424.0121.0057.37MOLA CATOM479OGLNA 21221.20731.13624.4991.0057.22MOLA OATOM480CBGLNA 21220.32432.89521.8751.0059.84MOLA CATOM481CGGLNA 21219.61134.08722.4771.0065.07MOLA CATOM482CDGLNA 21220.32435.40622.2121.0068.60MOLA CATOM483NE2GLNA 21221.48635.33421.5551.0070.00MOLA NATOM484OE1GLNA 21219.84036.47622.6011.0068.76MOLA OATOM485NILEA 21319.25232.22024.7411.0056.40MOLA NATOM486CAILEA 21319.39132.36226.1821.0055.48MOLA CATOM487CILEA 21319.52231.01826.8971.0054.83MOLA CATOM488OILEA 21320.46730.80627.6511.0054.25MOLA OATOM489CBILEA 21318.20633.14126.7711.0055.06MOLA CATOM490CG1ILEA 21318.09634.49626.0741.0056.77MOLA CATOM491CG2ILEA 21318.40333.34528.2631.0053.71MOLA CATOM492CD1ILEA 21316.87735.31026.4761.0057.11MOLA CATOM493NLEUA 21418.58630.10926.6601.0053.16MOLA NATOM494CALEUA 21418.65328.81527.3121.0052.88MOLA CATOM495CLEUA 21419.79627.94926.8101.0052.21MOLA CATOM496OLEUA 21420.37327.17227.5701.0052.35MOLA OATOM497CBLEUA 21417.31428.08527.1721.0053.39MOLA CATOM498CGLEUA 21416.30228.64928.1741.0053.49MOLA CATOM499CD1LEUA 21414.97027.98428.0311.0052.96MOLA CATOM500CD2LEUA 21416.83928.44429.5791.0053.39MOLA CATOM501NGLUA 21520.13228.09125.5331.0052.22MOLA NATOM502CAGLUA 21521.22127.32124.9481.0051.97MOLA CATOM503CGLUA 21522.52527.60725.7041.0051.01MOLA CATOM504OGLUA 21523.25126.68026.0711.0049.85MOLA OATOM505CBGLUA 21521.36127.66523.4651.0053.98MOLA CATOM506CGGLUA 21522.47826.93322.7441.0056.54MOLA CATOM507CDGLUA 21522.42527.14821.2411.0058.68MOLA CATOM508OE1GLUA 21522.33628.32020.8111.0059.72MOLA OATOM509OE2GLUA 21522.47026.14720.4881.0059.50MOLA OATOM510NLYSA 21622.81228.88425.9461.0049.66MOLA NATOM511CALYSA 21624.01129.25526.6921.0050.44MOLA CATOM512CLYSA 21623.90028.63928.0801.0049.50MOLA CATOM513OLYSA 21624.86828.10228.6181.0048.36MOLA OATOM514CBLYSA 21624.11530.77726.8301.0052.72MOLA CATOM515CGLYSA 21624.26831.51725.5081.0055.91MOLA CATOM516CDLYSA 21624.45133.01625.7241.0057.56MOLA CATOM517CELYSA 21624.58533.75024.3901.0058.92MOLA CATOM518NZLYSA 21624.86035.20924.5571.0059.48MOLA NATOM519NGLYA 21722.70128.72428.6481.0048.30MOLA NATOM520CAGLYA 21722.45928.17329.9651.0049.00MOLA CATOM521CGLYA 21722.75726.68830.0331.0049.19MOLA CATOM522OGLYA 21723.32826.19831.0101.0048.36MOLA OATOM523NALAA 21822.37125.96328.9921.0048.74MOLA NATOM524CAALAA 21822.60924.53028.9591.0049.55MOLA CATOM525CALAA 21824.10424.23128.9431.0050.19MOLA CATOM526OALAA 21824.55823.23529.5081.0050.15MOLA OATOM527CBALAA 21821.93823.92327.7381.0048.51MOLA CATOM528NALAA 21924.86725.10428.2941.0050.75MOLA NATOM529CAALAA 21926.31124.93628.1931.0051.93MOLA CATOM530CALAA 21926.96225.18229.5381.0053.20MOLA CATOM531OALAA 21927.77124.38130.0091.0053.31MOLA OATOM532CBALAA 21926.87225.90127.1641.0052.56MOLA CATOM533NLYSA 22026.60026.30730.1421.0054.19MOLA NATOM534CALYSA 22027.11426.69931.4441.0056.74MOLA CATOM535CLYSA 22026.83625.56632.4341.0057.57MOLA CATOM536OLYSA 22027.62525.30033.3441.0057.68MOLA OATOM537CBLYSA 22026.40127.97031.9091.0057.36MOLA CATOM538CGLYSA 22027.02128.65433.1071.0058.80MOLA CATOM539CDLYSA 22028.06129.67332.6751.0060.73MOLA CATOM540CELYSA 22028.43430.58233.8351.0063.29MOLA CATOM541NZLYSA 22029.49331.56433.4651.0065.69MOLA NATOM542NARGA 22125.70324.89932.2421.0057.65MOLA NATOM543CAARGA 22125.30323.81033.1181.0057.64MOLA CATOM544CARGA 22126.25322.63732.9031.0057.30MOLA CATOM545OARGA 22126.65021.95633.8491.0056.30MOLA OATOM546CBARGA 22123.86523.40132.7981.0058.58MOLA CATOM547CGARGA 22123.15022.64233.9071.0060.55MOLA CATOM548CDARGA 22122.70521.27633.4221.0063.89MOLA CATOM549NEARGA 22121.86821.33832.2211.0065.54MOLA NATOM550CZARGA 22120.58721.70432.2031.0065.15MOLA CATOM551NH1ARGA 22119.96422.05133.3261.0065.24MOLA NATOM552NH2ARGA 22119.92121.69431.0571.0063.89MOLA NATOM553NTHRA 22226.62422.41831.6451.0055.86MOLA NATOM554CATHRA 22227.52421.33331.2921.0055.16MOLA CATOM555CTHRA 22228.95421.58931.7631.0054.26MOLA CATOM556OTHRA 22229.63920.66932.2021.0052.91MOLA OATOM557CBTHRA 22227.54221.11529.7771.0056.10MOLA CATOM558CG2THRA 22228.53820.03329.4191.0056.10MOLA CATOM559OG1THRA 22226.23620.73329.3301.0056.64MOLA OTER560THRA 222ATOM561NSERA 23223.88417.13637.0171.0052.74MOLA NATOM562CASERA 23222.45717.46237.0171.0051.30MOLA CATOM563CSERA 23221.59616.51837.8551.0049.34MOLA CATOM564OSERA 23220.61216.94338.4561.0048.92MOLA OATOM565CBSERA 23221.92017.48735.5881.0052.92MOLA CATOM566OGSERA 23222.40518.62434.8881.0057.03MOLA OTER567SERA 232ATOM568NHISA 23619.25920.71642.0841.0037.46MOLA NATOM569CAHISA 23617.98621.31841.7611.0034.56MOLA CATOM570CHISA 23618.20122.39640.7341.0033.33MOLA CATOM571OHISA 23619.08523.23440.8701.0032.33MOLA OATOM572CBHISA 23617.34121.93243.0011.0034.14MOLA CATOM573CGHISA 23617.24320.99044.1561.0032.77MOLA CATOM574CD2HISA 23617.41521.18845.4821.0030.39MOLA CATOM575ND1HISA 23616.92719.65744.0011.0032.74MOLA NATOM576CE1HISA 23616.90819.07445.1871.0032.19MOLA CATOM577NE2HISA 23617.20119.98146.1021.0031.95MOLA NATOM578NSERA 23717.37322.36039.6971.0033.27MOLA NATOM579CASERA 23717.43223.33138.6201.0031.69MOLA CATOM580CSERA 23716.20224.22438.7951.0031.63MOLA CATOM581OSERA 23715.06423.76238.7121.0031.60MOLA OATOM582CBSERA 23717.38722.60337.2781.0031.26MOLA CATOM583OGSERA 23717.83023.43236.2221.0036.95MOLA OATOM584NVALA 23816.42425.50039.0721.0030.04MOLA NATOM585CAVALA 23815.30226.39839.2441.0029.67MOLA CATOM586CVALA 23815.26627.46138.1661.0028.92MOLA CATOM587OVALA 23816.09328.37438.1491.0027.20MOLA OATOM588CBVALA 23815.33027.07340.6241.0030.72MOLA CATOM589CG1VALA 23814.26228.12340.7011.0029.20MOLA CATOM590CG2VALA 23815.08226.03541.7161.0033.25MOLA CATOM591NPHEA 23914.31327.31837.2501.0028.37MOLA NATOM592CAPHEA 23914.15628.27936.1711.0029.26MOLA CATOM593CPHEA 23912.99129.19236.5351.0030.00MOLA CATOM594OPHEA 23911.92928.72336.9591.0029.92MOLA OATOM595CBPHEA 23913.88527.55434.8521.0029.39MOLA CATOM596CGPHEA 23913.55828.47733.7051.0029.30MOLA CATOM597CD1PHEA 23912.25128.86333.4561.0028.28MOLA CATOM598CD2PHEA 23914.56528.96032.8831.0029.29MOLA CATOM599CE1PHEA 23911.95529.71432.4041.0030.73MOLA CATOM600CE2PHEA 23914.26929.81731.8251.0030.36MOLA CATOM601CZPHEA 23912.96730.19231.5871.0029.26MOLA CATOM602NSERA 24013.18630.49336.3731.0030.04MOLA NATOM603CASERA 24012.13431.44236.7191.0032.55MOLA CATOM604CSERA 24011.84532.43535.6211.0033.23MOLA CATOM605OSERA 24012.75932.93934.9631.0032.98MOLA OATOM606CBSERA 24012.49532.21537.9951.0032.81MOLA CATOM607OGSERA 24012.59431.34339.1181.0036.21MOLA OATOM608NVALA 24110.55932.70135.4301.0033.54MOLA NATOM609CAVALA 24110.09233.66134.4421.0034.61MOLA CATOM610CVALA 2419.21834.69435.1491.0032.42MOLA CATOM611OVALA 2418.26434.36135.8541.0030.59MOLA OATOM612CBVALA 2419.28432.96733.3031.0037.08MOLA CATOM613CG1VALA 2418.21333.89432.7771.0040.17MOLA CATOM614CG2VALA 24110.20332.63832.1601.0041.42MOLA CTER615VALA 241ATOM616NLEUA 2639.87227.04437.5051.0024.68MOLA NATOM617CALEUA 2639.87625.68136.9891.0024.88MOLA CATOM618CLEUA 26311.10224.94537.5461.0026.25MOLA CATOM619OLEUA 26312.25425.21637.1601.0027.13MOLA OATOM620CBLEUA 2639.87425.72235.4551.0022.93MOLA CATOM621CGLEUA 2638.61826.42934.9431.0021.90MOLA CATOM622CD1LEUA 2638.65926.65433.4431.0023.86MOLA CATOM623CD2LEUA 2637.42625.57735.2951.0022.48MOLA CATOM624NVALA 26410.82924.00938.4491.0025.37MOLA NATOM625CAVALA 26411.85623.25539.1571.0026.39MOLA CATOM626CVALA 26412.13921.80338.7691.0027.16MOLA CATOM627OVALA 26411.27020.93938.9081.0028.14MOLA OATOM628CBVALA 26411.53623.25140.6661.0025.95MOLA CATOM629CG1VALA 26412.72722.74041.4581.0026.55MOLA CATOM630CG2VALA 26411.14324.64341.1041.0026.08MOLA CATOM631NASPA 26513.36521.53938.3171.0027.15MOLA NATOM632CAASPA 26513.79920.18437.9681.0029.33MOLA CATOM633CASPA 26514.60719.72939.1951.0029.00MOLA CATOM634OASPA 26515.74520.15539.3671.0031.12MOLA OATOM635CBASPA 26514.71620.20836.7371.0030.79MOLA CATOM636CGASPA 26514.99218.81236.1861.0033.53MOLA CATOM637OD1ASPA 26514.81417.84436.9481.0035.30MOLA OATOM638OD2ASPA 26515.38918.67735.0011.0034.83MOLA OEND Table 6. Novel Eg5 ligand binding site/compound 3 X-ray coordinates. 10 Angstrom shell of the binding pocket. Table 6 discloses residues 111-122, 125-141, 158-161, 208-222 and 237-240 of SEQ ID NO: 1, respectively, in order of appearance. TABLE 6Novel Eg5 ligand binding site/compound 3 X-ray coordinates. 10 Angstromshell of the binding pocket. Table 6 discloses residues 111-122, 125-141, 158-161,208-222 and 237-240 of SEQ ID NO: 1, respectively, in order of appearance.ATOM1MGMGA300117.55815.42933.7631.0039.37COFAMGTER2MGA3001ATOM3N1ADPA40018.64110.21425.8321.0019.63COFA NATOM4C2ADPA40019.67210.14324.9641.0029.43COFA CATOM5N3ADPA400110.99810.11025.2941.0021.72COFA NATOM6C1*ADPA400113.80710.05426.6401.0024.67COFA CATOM7C4ADPA400111.34010.15526.5881.0025.15COFA CATOM8C5ADPA400110.29210.24227.6171.0031.74COFA CATOM9C6ADPA40018.88210.26127.1621.0029.55COFA CATOM10N6ADPA40017.89910.35028.0821.0027.36COFA NATOM11N7ADPA400110.91610.28728.8171.0033.08COFA NATOM12C8ADPA400112.25010.20028.5711.0029.19COFA CATOM13N9ADPA400112.48410.12927.2451.0033.30COFA NATOM14C2*ADPA400114.39311.43626.4951.0020.15COFA CATOM15O2*ADPA400113.95712.12425.3101.0034.17COFA OATOM16C3*ADPA400115.88211.17226.6311.0023.23COFA CATOM17O3*ADPA400116.48210.69525.4271.0026.55COFA OATOM18O1AADPA400114.11213.44330.7821.0041.83COFA OATOM19O1BADPA400114.60012.36234.0491.0025.36COFA OATOM20C4*ADPA400115.89210.07027.6661.0021.34COFA CATOM21O4*ADPA400114.5959.47427.6671.0023.81COFA OATOM22O2AADPA400116.54113.38129.8881.0037.09COFA OATOM23O2BADPA400115.63914.35532.9611.0035.57COFA OATOM24C5*ADPA400116.11010.64029.0621.0038.19COFA CATOM25O5*ADPA400115.01311.44029.5221.0038.09COFA OATOM26O3AADPA400115.76612.01831.9271.0023.99COFA OATOM27O3BADPA400117.08512.52333.9211.0034.66COFA OATOM28PAADPA400115.36112.67630.5011.0036.53COFA PATOM29PBADPA400115.76612.87433.2911.0028.78COFA PTER30ADPA4001ATOM31CLIGA100119.22523.97023.2761.0033.65LIGA CATOM32C1LIGA100116.01725.03527.3911.0032.60LIGA CATOM33C2LIGA100115.84824.28226.1101.0041.53LIGA CATOM34C3LIGA100115.16124.86628.4161.0034.30LIGA CATOM35C4LIGA100115.42425.46629.5871.0029.32LIGA CATOM36C5LIGA100116.53826.19529.6771.0022.03LIGA CATOM37C6LIGA100117.28626.26928.6521.0042.31LIGA CATOM38C7LIGA100117.05225.73027.6011.0043.54LIGA CATOM39N8LIGA100116.82024.06725.1951.0048.45LIGA NATOM40C9LIGA100116.29423.33724.1791.0049.51LIGA CATOM41C10LIGA100117.01322.84722.9711.0037.95LIGA CATOM42N11LIGA100117.56721.49823.2031.0046.47LIGA NATOM43C12LIGA100117.06420.48522.5041.0053.25LIGA CATOM44O13LIGA100116.16020.71121.7191.0065.10LIGA OATOM45C14LIGA100117.58219.07822.6641.0058.39LIGA CATOM46C15LIGA100118.62521.38924.2031.0046.94LIGA CATOM47C16LIGA100117.92721.35125.5581.0033.87LIGA CATOM48C17LIGA100117.65119.93526.0241.0027.45LIGA CATOM49N18LIGA100117.42220.01327.4521.0030.80LIGA NATOM50C19LIGA100118.02423.86922.4531.0033.41LIGA CATOM51C20LIGA100117.30925.21422.4151.0033.08LIGA CATOM52C21LIGA100118.43823.46921.0451.0032.59LIGA CATOM53N22LIGA100114.99223.09824.4351.0056.25LIGA NATOM54C23LIGA100114.10022.29423.5731.0039.37LIGA CATOM55C24LIGA100113.06623.05522.7831.0050.24LIGA CATOM56C25LIGA100114.69423.66225.6281.0049.02LIGA CATOM57C26LIGA100112.06522.36822.1991.0050.24LIGA CATOM58C27LIGA100111.16623.07621.5091.0049.99LIGA CATOM59C28LIGA100111.31924.40421.4451.0040.15LIGA CATOM60C29LIGA100112.30624.94422.0221.0040.43LIGA CATOM61C30LIGA100113.12124.31822.6461.0050.70LIGA CATOM62N31LIGA100118.08118.34323.7011.0059.53LIGA NATOM63N33LIGA100118.38617.08223.1431.0045.65LIGA NATOM64C35LIGA100118.06717.12621.8731.0043.92LIGA CATOM65C36LIGA100117.57818.31621.5671.0054.47LIGA CATOM66C37LIGA100118.93316.04524.0391.0032.46LIGA CATOM67C38LIGA100118.24115.99720.9361.0050.09LIGA CTER68LIGA1001ATOM69NGLNA 783.57915.60024.6731.0030.73MOLA NATOM70CAGLNA 784.01016.81625.3811.0029.06MOLA CATOM71CGLNA 782.79717.68925.5951.0031.71MOLA CATOM72OGLNA 782.36617.92026.7111.0034.94MOLA OATOM73CBGLNA 785.05617.56624.5721.0027.93MOLA CATOM74CGGLNA 786.39716.83424.4411.0022.53MOLA CATOM75CDGLNA 787.05916.65725.8071.0035.07MOLA CATOM76NE2GLNA 788.39916.64525.8361.0012.74MOLA NATOM77OE1GLNA 786.36816.55526.8311.0041.40MOLA OTER78GLNA 78ATOM79NLYSA 11112.45713.71433.3911.0032.09MOLA NATOM80CALYSA 11112.29815.00534.0491.0030.94MOLA CATOM81CLYSA 11112.53716.10533.0461.0031.61MOLA CATOM82OLYSA 11111.62116.87032.7051.0032.58MOLA OATOM83CBLYSA 11113.32915.16535.1501.0031.09MOLA CATOM84CGLYSA 11112.93514.59836.4921.0029.98MOLA CATOM85CDLYSA 11114.15314.61137.3701.0027.11MOLA CATOM86CELYSA 11114.97313.35837.2571.0032.97MOLA CATOM87NZLYSA 11114.59812.49038.4071.0032.09MOLA NATOM88NTHRA 11213.78316.17832.5701.0029.46MOLA NATOM89CATHRA 11214.15917.23831.6531.0025.95MOLA CATOM90CTHRA 11213.35717.12230.3591.0029.83MOLA CATOM91OTHRA 11212.98718.15129.7551.0035.34MOLA OATOM92CBTHRA 11215.69817.32931.4311.0024.53MOLA CATOM93CG2THRA 11216.08418.49530.5431.002.00MOLA CATOM94OG1THRA 11216.35017.49632.7021.0032.58MOLA OATOM95NPHEA 11313.06415.89729.9291.0027.54MOLA NATOM96CAPHEA 11312.24115.74028.7391.0027.65MOLA CATOM97CPHEA 11310.95616.56628.9241.0030.23MOLA CATOM98OPHEA 11310.58617.38128.0731.0029.41MOLA OATOM99CBPHEA 11311.87014.28528.5131.0024.75MOLA CATOM100CGPHEA 11311.00414.06527.3181.0022.45MOLA CATOM101CD1PHEA 11311.56413.99926.0421.0024.43MOLA CATOM102CD2PHEA 1139.62213.93027.4581.0020.05MOLA CATOM103CE1PHEA 11310.74913.81024.9111.0027.65MOLA CATOM104CE2PHEA 1138.80513.71326.3501.0012.49MOLA CATOM105CZPHEA 1139.36113.66025.0741.0017.35MOLA CATOM106NTHRA 11410.29016.34530.0561.0031.57MOLA NATOM107CATHRA 1149.02416.98430.3361.0030.22MOLA CATOM108CTHRA 1149.20118.46730.4061.0032.12MOLA CATOM109OTHRA 1148.38719.23829.8701.0035.90MOLA OATOM110CBTHRA 1148.47916.57331.6961.0026.87MOLA CATOM111CG2THRA 1147.14217.23731.9251.0024.43MOLA CATOM112OG1THRA 1148.29915.16031.7061.0028.52MOLA OATOM113NMETA 11510.25918.88131.0851.0029.83MOLA NATOM114CAMETA 11510.32520.26731.4171.0026.52MOLA CATOM115CMETA 11510.90521.10530.3051.0027.47MOLA CATOM116OMETA 11510.61622.28730.2261.0029.77MOLA OATOM117CBMETA 11511.07320.47232.6951.0024.20MOLA CATOM118CGMETA 11510.49921.59433.4521.0021.17MOLA CATOM119SDMETA 1159.09320.91334.3061.0050.71MOLA SATOM120CEMETA 1158.76822.02835.6781.0035.67MOLA CATOM121NGLUA 11611.69420.50629.4251.0026.76MOLA NATOM122CAGLUA 11612.29921.28728.3521.0026.47MOLA CATOM123CGLUA 11611.99720.69926.9551.0026.80MOLA CATOM124OGLUA 11611.93521.42425.9681.0023.64MOLA OATOM125CBGLUA 11613.81621.40728.5901.0025.94MOLA CATOM126CGGLUA 11614.23721.61930.0721.0023.10MOLA CATOM127CDGLUA 11615.76221.78230.2511.0029.16MOLA CATOM128OE1GLUA 11616.20622.01331.4081.0050.08MOLA OATOM129OE2GLUA 11616.52521.64829.2571.0015.18MOLA OATOM130NGLYA 11711.84719.37226.8821.0027.97MOLA NATOM131CAGLYA 11711.56018.68425.6331.0028.38MOLA CATOM132CGLYA 11712.74418.67924.7001.0030.59MOLA CATOM133OGLYA 11713.87218.84825.1411.0029.46MOLA OATOM134NGLUA 11812.49918.45323.4101.0035.46MOLA NATOM135CAGLUA 11813.58218.49622.4501.0041.18MOLA CATOM136CGLUA 11813.16719.00021.1141.0045.41MOLA CATOM137OGLUA 11811.98419.07620.8021.0046.63MOLA OATOM138CBGLUA 11814.22917.14522.2831.0041.50MOLA CATOM139CGGLUA 11815.00116.72523.4891.0042.95MOLA CATOM140CDGLUA 11815.18915.25423.5071.0037.17MOLA CATOM141OE1GLUA 11815.53414.75222.4171.0027.25MOLA OATOM142OE2GLUA 11814.98514.61824.5761.0037.36MOLA OATOM143NARGA 11914.19619.33920.3481.0051.78MOLA NATOM144CAARGA 11914.10619.83418.9911.0057.16MOLA CATOM145CARGA 11913.87118.58418.1591.0061.53MOLA CATOM146OARGA 11914.76917.72618.0891.0062.56MOLA OATOM147CBARGA 11915.46820.41618.6171.0055.94MOLA CATOM148CGARGA 11915.47421.50617.6151.0054.14MOLA CATOM149CDARGA 11915.01422.78518.2601.0054.59MOLA CATOM150NEARGA 11913.64223.06817.8871.0063.36MOLA NATOM151CZARGA 11913.30723.69316.7641.0065.54MOLA CATOM152NH1ARGA 11912.03923.91016.4821.0058.78MOLA NATOM153NH2ARGA 11914.24924.09115.9161.0072.78MOLA NATOM154NSERA 12012.68918.46017.5471.0065.13MOLA NATOM155CASERA 12012.40317.30216.6861.0068.37MOLA CATOM156CSERA 12013.57516.98815.7491.0072.26MOLA CATOM157OSERA 12014.03417.84314.9791.0073.37MOLA OATOM158CBSERA 12011.08617.45015.9301.0067.48MOLA CATOM159OGSERA 12010.01417.28116.8321.0064.35MOLA OATOM160NPROA 12114.06415.74415.8301.0075.66MOLA NATOM161CAPROA 12115.30615.27315.2071.0076.09MOLA CATOM162CPROA 12115.23415.18713.7001.0076.02MOLA CATOM163OPROA 12114.84814.13713.1901.0076.23MOLA OATOM164CBPROA 12115.44513.85415.7671.0077.22MOLA CATOM165CGPROA 12114.00513.42416.0541.0077.56MOLA CATOM166CDPROA 12113.25714.67016.5641.0075.47MOLA CATOM167NASNA 12215.60816.26013.0021.0076.21MOLA NATOM168CAASNA 12215.64216.27911.5121.0078.16MOLA CATOM169CASNA 12214.36816.83010.8221.0077.82MOLA CATOM170OASNA 12214.45117.4519.7401.0077.49MOLA OATOM171CBASNA 12216.07414.91510.9041.0078.34MOLA CATOM172CGASNA 12217.58714.63011.0661.0080.48MOLA CATOM173ND2ASNA 12217.91013.62411.8781.0078.33MOLA NATOM174OD1ASNA 12218.44215.29010.4511.0073.49MOLA OTER175ASNA 122ATOM176NTYRA 12510.13721.69012.1501.0064.93MOLA NATOM177CATYRA 1259.15622.70012.5001.0061.98MOLA CATOM178CTYRA 1259.93323.81113.1741.0061.48MOLA CATOM179OTYRA 12511.08723.59913.5591.0061.50MOLA OATOM180CBTYRA 1258.17322.16813.5181.0060.05MOLA CATOM181CGTYRA 1257.82620.71213.3941.0056.90MOLA CATOM182CD1TYRA 1256.49620.28913.5041.0040.52MOLA CATOM183CD2TYRA 1258.81519.75213.1831.0054.54MOLA CATOM184CE1TYRA 1256.15518.94713.4351.0025.84MOLA CATOM185CE2TYRA 1258.49318.40413.0991.0049.97MOLA CATOM186CZTYRA 1257.15317.99813.2291.0050.92MOLA CATOM187OHTYRA 1256.80916.64613.1321.0053.78MOLA OATOM188NTHRA 1269.32824.98813.3281.0061.27MOLA NATOM189CATHRA 1269.94826.02614.1671.0063.03MOLA CATOM190CTHRA 1269.96225.55815.6121.0063.76MOLA CATOM191OTHRA 1269.43924.48915.9341.0065.75MOLA OATOM192CBTHRA 1269.19427.36114.1401.0063.25MOLA CATOM193CG2THRA 12610.02628.44513.4471.0059.84MOLA CATOM194OG1THRA 1267.93427.18313.4761.0064.86MOLA OATOM195NTRPA 12710.54926.34116.5021.0062.83MOLA NATOM196CATRPA 12710.51125.92517.8821.0062.57MOLA CATOM197CTRPA 1279.08426.07518.4301.0061.10MOLA CATOM198OTRPA 1278.61625.19819.1531.0060.89MOLA OATOM199CBTRPA 12711.57026.64518.7051.0063.96MOLA CATOM200CGTRPA 12711.43628.11918.6751.0066.44MOLA CATOM201CD1TRPA 12712.01928.97417.7891.0065.78MOLA CATOM202CD2TRPA 12710.66728.92819.5791.0068.49MOLA CATOM203CE2TRPA 12710.83330.26619.1811.0075.72MOLA CATOM204CE3TRPA 1279.85228.64820.6861.0070.43MOLA CATOM205NE1TRPA 12711.66430.26618.0871.0078.27MOLA NATOM206CZ2TRPA 12710.20631.33119.8461.0071.27MOLA CATOM207CZ3TRPA 1279.23229.70321.3481.0069.09MOLA CATOM208CH2TRPA 1279.41031.02720.9221.0065.53MOLA CATOM209NGLUA 1288.38627.14818.0381.0061.13MOLA NATOM210CAGLUA 1286.98027.40718.4421.0060.92MOLA CATOM211CGLUA 1286.12626.19918.1111.0060.60MOLA CATOM212OGLUA 1285.11825.89818.7491.0061.80MOLA OATOM213CBGLUA 1286.36528.56517.6301.0060.09MOLA CATOM214CGGLUA 1286.94029.95917.8251.0063.61MOLA CATOM215CDGLUA 1288.03030.32216.8221.0077.42MOLA CATOM216OE1GLUA 1288.47531.49016.8401.0085.03MOLA OATOM217OE2GLUA 1288.44929.45816.0181.0083.23MOLA OATOM218NGLUA 1296.58325.51517.0841.0058.52MOLA NATOM219CAGLUA 1295.81824.58816.3191.0056.41MOLA CATOM220CGLUA 1296.08023.12316.7301.0055.46MOLA CATOM221OGLUA 1295.25922.23016.4721.0055.07MOLA OATOM222CBGLUA 1296.31224.81914.8841.0056.87MOLA CATOM223CGGLUA 1295.29924.70613.7851.0064.29MOLA CATOM224CDGLUA 1294.13825.63313.9951.0070.41MOLA CATOM225OE1GLUA 1293.57826.10212.9811.0069.77MOLA OATOM226OE2GLUA 1293.80025.89015.1751.0076.60MOLA OATOM227NASPA 1307.21622.88217.3811.0051.56MOLA NATOM228CAASPA 1307.73021.53017.5471.0048.19MOLA CATOM229CASPA 1306.89620.74918.5081.0047.68MOLA CATOM230OASPA 1306.60321.24419.5771.0051.23MOLA OATOM231CBASPA 1309.15621.61918.0531.0048.24MOLA CATOM232CGASPA 1309.90720.34717.8871.0043.77MOLA CATOM233OD1ASPA 13011.01020.40517.3171.0049.48MOLA OATOM234OD2ASPA 1309.41019.30218.3271.0046.43MOLA OATOM235NPROA 1316.46619.53618.1211.0047.74MOLA NATOM236CAPROA 1315.62018.63718.9531.0046.17MOLA CATOM237CPROA 1316.31618.06820.1941.0045.47MOLA CATOM238OPROA 1315.66217.94121.2451.0045.60MOLA OATOM239CBPROA 1315.25917.50517.9931.0045.49MOLA CATOM240CGPROA 1315.53418.06416.6101.0045.28MOLA CATOM241CDPROA 1316.72118.95916.7941.0046.78MOLA CATOM242NLEUA 1327.60717.71420.0541.0043.25MOLA NATOM243CALEUA 1328.48517.28621.1741.0040.91MOLA CATOM244CLEUA 1328.81518.41422.2121.0043.37MOLA CATOM245OLEUA 1329.32018.14923.3221.0043.09MOLA OATOM246CBLEUA 1329.78616.71920.6331.0037.25MOLA CATOM247CGLEUA 1329.85315.34519.9771.0035.16MOLA CATOM248CD1LEUA 13211.30415.08019.6281.0024.85MOLA CATOM249CD2LEUA 1329.31214.21620.8751.0016.69MOLA CATOM250NALAA 1338.52719.66521.8411.0042.08MOLA NATOM251CAALAA 1338.66920.81222.7351.0038.53MOLA CATOM252CALAA 1338.17820.51424.1131.0036.19MOLA CATOM253OALAA 1337.03020.15424.2741.0035.70MOLA OATOM254CBALAA 1337.85921.97522.2011.0037.88MOLA CATOM255NGLYA 1349.02220.72225.1131.0036.21MOLA NATOM256CAGLYA 1348.57320.64326.5241.0035.75MOLA CATOM257CGLYA 1347.82021.86827.0611.0033.83MOLA CATOM258OGLYA 1347.60422.88026.3591.0030.19MOLA OATOM259NILEA 1357.44221.76828.3321.0032.53MOLA NATOM260CAILEA 1356.73022.81829.0481.0029.60MOLA CATOM261CILEA 1357.38124.17729.0161.0031.72MOLA CATOM262OILEA 1356.74125.15328.5691.0034.54MOLA OATOM263CBILEA 1356.60622.48230.4991.0030.81MOLA CATOM264CG1ILEA 1355.60921.34530.6791.0027.10MOLA CATOM265CG2ILEA 1356.16123.72531.2941.0025.97MOLA CATOM266CD1ILEA 1355.61320.81232.0611.0013.72MOLA CATOM267NILEA 1368.61024.27529.5371.0028.56MOLA NATOM268CAILEA 1369.34925.55929.4831.0028.11MOLA CATOM269CILEA 1369.12726.39128.1861.0028.33MOLA CATOM270OILEA 1368.55927.48928.2511.0030.44MOLA OATOM271CBILEA 13610.86325.43429.8301.0027.26MOLA CATOM272CG1ILEA 13611.00925.17531.3241.0027.40MOLA CATOM273CG2ILEA 13611.60426.73129.5171.0024.90MOLA CATOM274CD1ILEA 13612.41625.19631.8221.0025.50MOLA CATOM275NPROA 1379.53225.88127.0111.0026.84MOLA NATOM276CAPROA 1379.32126.74725.8451.0027.34MOLA CATOM277CPROA 1377.83026.85525.4401.0028.24MOLA CATOM278OPROA 1377.41027.88224.9061.0027.64MOLA OATOM279CBPROA 13710.09626.02524.7421.0028.18MOLA CATOM280CGPROA 1379.95224.56825.0721.0023.64MOLA CATOM281CDPROA 13710.09224.57726.6231.0027.65MOLA CATOM282NARGA 1387.02825.81325.6631.0027.95MOLA NATOM283CAARGA 1385.61825.95125.3211.0030.50MOLA CATOM284CARGA 1385.02227.15226.0731.0033.14MOLA CATOM285OARGA 1384.29327.98825.5241.0034.12MOLA OATOM286CBARGA 1384.86024.68325.6421.0028.36MOLA CATOM287CGARGA 1385.02623.67724.5661.0026.19MOLA CATOM288CDARGA 1384.40922.36724.9301.0028.71MOLA CATOM289NEARGA 1384.78721.40623.9181.0029.74MOLA NATOM290CZARGA 1384.00020.97822.9391.0029.03MOLA CATOM291NH1ARGA 1382.74221.39522.8341.0036.95MOLA NATOM292NH2ARGA 1384.47720.09322.0661.0051.01MOLA NATOM293NTHRA 1395.38627.23927.3341.0033.02MOLA NATOM294CATHRA 1394.87628.25428.1831.0034.19MOLA CATOM295CTHRA 1395.32829.64527.7571.0038.01MOLA CATOM296OTHRA 1394.54530.58427.7911.0040.83MOLA OATOM297CBTHRA 1395.30727.94429.5861.0032.20MOLA CATOM298CG2THRA 1395.25629.17830.4461.0024.60MOLA CATOM299OG1THRA 1394.41026.96130.0991.0035.50MOLA OATOM300NLEUA 1406.57929.79927.3451.0039.26MOLA NATOM301CALEUA 1407.02931.12926.9761.0038.03MOLA CATOM302CLEUA 1406.13231.61925.8591.0039.51MOLA CATOM303OLEUA 1405.55032.70925.9601.0038.40MOLA OATOM304CBLEUA 1408.52431.13926.6171.0039.04MOLA CATOM305CGLEUA 1409.47231.45327.7871.0026.91MOLA CATOM306CD1LEUA 1408.84331.15429.0961.0025.82MOLA CATOM307CD2LEUA 14010.68330.64427.6421.0027.88MOLA CATOM308NHISA 1415.98030.77624.8311.0041.16MOLA NATOM309CAHISA 1415.05531.02123.7101.0042.59MOLA CATOM310CHISA 1413.69331.53724.2311.0043.82MOLA CATOM311OHISA 1413.41032.74924.1561.0044.22MOLA OATOM312CBHISA 1414.89129.74722.8641.0040.91MOLA CATOM313CGHISA 1414.45229.98821.4471.0043.27MOLA CATOM314CD2HISA 1415.10030.54420.3931.0053.75MOLA CATOM315ND1HISA 1413.21329.60920.9721.0042.50MOLA NATOM316CE1HISA 1413.11529.92619.6921.0036.73MOLA CATOM317NE2HISA 1414.24730.49319.3131.0035.42MOLA NTER318HISA 141ATOM319NVALA 15813.30536.85232.2851.0038.05MOLA NATOM320CAVALA 15813.58235.47632.8131.0038.44MOLA CATOM321CVALA 15814.97735.12633.4151.0040.53MOLA CATOM322OVALA 15816.00935.55932.9081.0042.08MOLA OATOM323CBVALA 15813.31534.46631.7431.0035.61MOLA CATOM324CG1VALA 15811.93234.66931.2171.0038.26MOLA CATOM325CG2VALA 15814.30434.65430.6451.0031.90MOLA CATOM326NSERA 15915.00534.31534.4731.0040.72MOLA NATOM327CASERA 15916.27933.92035.0881.0043.10MOLA CATOM328CSERA 15916.42132.41135.1881.0043.20MOLA CATOM329OSERA 15915.52931.75235.6781.0045.99MOLA OATOM330CBSERA 15916.31834.43836.5041.0043.43MOLA CATOM331OGSERA 15915.13133.99337.1481.0046.97MOLA OATOM332NLEUA 16017.54231.86034.7671.0042.19MOLA NATOM333CALEUA 16017.76630.44134.9531.0044.35MOLA CATOM334CLEUA 16019.02330.14035.7571.0046.06MOLA CATOM335OLEUA 16020.14730.49935.3711.0046.39MOLA OATOM336CBLEUA 16017.87329.71433.6241.0046.01MOLA CATOM337CGLEUA 16018.45828.31933.8171.0046.96MOLA CATOM338CD1LEUA 16017.43227.42434.4911.0045.08MOLA CATOM339CD2LEUA 16018.88527.75232.5021.0045.00MOLA CATOM340NLEUA 16118.82829.44836.8661.0044.74MOLA NATOM341CALEUA 16119.92729.14337.7211.0045.55MOLA CATOM342CLEUA 16119.88427.67538.0761.0049.54MOLA CATOM343OLEUA 16118.94326.95537.7391.0052.44MOLA OATOM344CBLEUA 16119.86229.98638.9821.0044.78MOLA CATOM345CGLEUA 16118.86029.52440.0361.0040.96MOLA CATOM346CD1LEUA 16119.35428.30240.7521.0042.59MOLA CATOM347CD2LEUA 16118.66830.62141.0061.0029.68MOLA CTER348LEUA 161ATOM349NLEUA 17122.86830.75835.2091.0051.69MOLA NATOM350CALEUA 17123.18930.17233.9161.0052.06MOLA CATOM351CLEUA 17122.99931.14032.7921.0052.86MOLA CATOM352OLEUA 17123.47330.89831.6901.0054.73MOLA OATOM353CBLEUA 17122.38328.91033.6821.0050.87MOLA CATOM354CGLEUA 17123.05227.89834.5911.0048.90MOLA CATOM355CD1LEUA 17122.23526.64834.7321.0047.88MOLA CATOM356CD2LEUA 17124.44427.61534.0411.0039.76MOLA CATOM357NLEUA 17222.33432.25233.0801.0053.67MOLA NATOM358CALEUA 17222.04733.23532.0491.0053.56MOLA CATOM359CLEUA 17223.03634.37531.9531.0056.18MOLA CATOM360OLEUA 17222.75635.33331.2431.0055.95MOLA OATOM361CBLEUA 17220.65433.82532.2451.0054.21MOLA CATOM362CGLEUA 17219.47333.15331.5531.0040.42MOLA CATOM363CD1LEUA 17219.89632.68230.2041.0044.11MOLA CATOM364CD2LEUA 17219.02432.02132.3621.0047.51MOLA CTER365LEUA 172ATOM366NASPA 20810.94734.54119.8931.0069.31MOLA NATOM367CAASPA 20812.08734.53518.9481.0071.07MOLA CATOM368CASPA 20813.38334.96819.5791.0070.75MOLA CATOM369OASPA 20814.45434.48119.2221.0072.29MOLA OATOM370CBASPA 20811.83535.44317.7461.0071.90MOLA CATOM371CGASPA 20810.75534.92016.8441.0079.56MOLA CATOM372OD1ASPA 2089.77935.67116.6221.0082.68MOLA OATOM373OD2ASPA 20810.87233.75916.3781.0088.98MOLA OATOM374NGLUA 20913.28935.94120.4701.0069.71MOLA NATOM375CAGLUA 20914.42736.32821.2641.0067.75MOLA CATOM376CGLUA 20914.53335.26022.3671.0063.94MOLA CATOM377OGLUA 20915.60935.04822.9521.0063.72MOLA OATOM378CBGLUA 20914.21837.73621.8181.0068.26MOLA CATOM379CGGLUA 20915.39038.28422.6031.0075.22MOLA CATOM380CDGLUA 20915.03639.55523.3461.0084.21MOLA CATOM381OE1GLUA 20914.19440.32822.8271.0075.22MOLA OATOM382OE2GLUA 20915.60539.77324.4441.0094.29MOLA OATOM383NVALA 21013.40534.58422.6191.0058.87MOLA NATOM384CAVALA 21013.34933.45823.5591.0054.30MOLA CATOM385CVALA 21014.26632.33623.1211.0052.18MOLA CATOM386OVALA 21015.20031.97423.8311.0050.81MOLA OATOM387CBVALA 21011.91632.91223.7711.0052.71MOLA CATOM388CG1VALA 21011.03033.34022.6541.0055.14MOLA CATOM389CG2VALA 21011.92831.38423.9351.0045.57MOLA CATOM390NTYRA 21114.02231.79821.9411.0051.26MOLA NATOM391CATYRA 21114.86130.71621.4911.0050.18MOLA CATOM392CTYRA 21116.37430.92821.7741.0051.58MOLA CATOM393OTYRA 21117.04429.97022.1781.0052.38MOLA OATOM394CBTYRA 21114.58430.36320.0401.0048.21MOLA CATOM395CGTYRA 21115.37729.17519.5821.0046.75MOLA CATOM396CD1TYRA 21116.66229.34119.0351.0049.00MOLA CATOM397CD2TYRA 21114.86427.87319.7001.0041.83MOLA CATOM398CE1TYRA 21117.42028.23718.6071.0053.26MOLA CATOM399CE2TYRA 21115.61926.75519.2781.0048.74MOLA CATOM400CZTYRA 21116.89726.94818.7361.0053.12MOLA CATOM401OHTYRA 21117.66425.87118.3251.0053.01MOLA OATOM402NGLNA 21216.93032.13921.6251.0051.92MOLA NATOM403CAGLNA 21218.37632.27621.9191.0051.34MOLA CATOM404CGLNA 21218.66131.93023.3411.0052.52MOLA CATOM405OGLNA 21219.44631.04123.6241.0055.89MOLA OATOM406CBGLNA 21218.93133.66221.7091.0050.64MOLA CATOM407CGGLNA 21219.34133.94320.3321.0051.72MOLA CATOM408CDGLNA 21218.20134.50519.6101.0062.20MOLA CATOM409NE2GLNA 21218.45935.10218.4481.0074.08MOLA NATOM410OE1GLNA 21217.06734.43620.0991.0072.97MOLA OATOM411NILEA 21318.04732.67324.2451.0052.40MOLA NATOM412CAILEA 21318.16432.39125.6621.0051.15MOLA CATOM413CILEA 21318.23730.88825.9181.0047.80MOLA CATOM414OILEA 21319.21930.40426.4711.0046.00MOLA OATOM415CBILEA 21316.99033.03226.4101.0052.30MOLA CATOM416CG1ILEA 21317.46234.31527.0961.0058.58MOLA CATOM417CG2ILEA 21316.39332.07627.4221.0055.87MOLA CATOM418CD1ILEA 21316.35135.35627.3251.0075.32MOLA CATOM419NLEUA 21417.21530.15425.4801.0045.71MOLA NATOM420CALEUA 21417.15728.71325.7201.0042.79MOLA CATOM421CLEUA 21418.43728.03325.2721.0042.75MOLA CATOM422OLEUA 21418.90027.11925.9461.0042.76MOLA OATOM423CBLEUA 21415.89428.08025.1211.0041.71MOLA CATOM424CGLEUA 21414.63928.68525.7881.0037.56MOLA CATOM425CD1LEUA 21413.38127.84625.6521.0015.00MOLA CATOM426CD2LEUA 21414.90928.89927.2451.0028.22MOLA CATOM427NGLUA 21519.03228.49524.1691.0042.10MOLA NATOM428CAGLUA 21520.36728.01223.7681.0042.47MOLA CATOM429CGLUA 21521.42828.44324.7501.0043.21MOLA CATOM430OGLUA 21521.98627.61825.4481.0043.70MOLA OATOM431CBGLUA 21520.76028.53222.4151.0040.29MOLA CATOM432CGGLUA 21520.48527.58721.3021.0048.53MOLA CATOM433CDGLUA 21520.79928.21419.9761.0062.44MOLA CATOM434OE1GLUA 21520.38629.38819.7821.0071.58MOLA OATOM435OE2GLUA 21521.45527.54219.1431.0065.51MOLA OATOM436NLYSA 21621.68629.74624.8001.0045.78MOLA NATOM437CALYSA 21622.62330.34525.7541.0049.55MOLA CATOM438CLYSA 21622.70129.54027.0551.0048.38MOLA CATOM439OLYSA 21623.80029.12727.4881.0048.55MOLA OATOM440CBLYSA 21622.21131.79026.1011.0051.47MOLA CATOM441CGLYSA 21622.55032.91225.0851.0056.78MOLA CATOM442CDLYSA 21622.39534.31625.7601.0055.05MOLA CATOM443CELYSA 21622.91535.47624.8811.0061.58MOLA CATOM444NZLYSA 21622.17635.68523.5851.0071.01MOLA NATOM445NGLYA 21721.52729.34627.6711.0046.21MOLA NATOM446CAGLYA 21721.38828.59728.9171.0043.66MOLA CATOM447CGLYA 21722.00827.22728.7641.0043.18MOLA CATOM448OGLYA 21723.05926.93929.3441.0040.67MOLA OATOM449NALAA 21821.37426.40127.9371.0043.23MOLA NATOM450CAALAA 21821.85225.05827.6891.0043.19MOLA CATOM451CALAA 21823.35725.09027.5701.0043.73MOLA CATOM452OALAA 21824.04024.29428.2041.0046.28MOLA OATOM453CBALAA 21821.23524.49226.4341.0043.91MOLA CATOM454NALAA 21923.87626.01826.7741.0042.36MOLA NATOM455CAALAA 21925.31626.14126.5811.0041.91MOLA CATOM456CALAA 21926.01026.35127.9171.0043.49MOLA CATOM457OALAA 21926.87125.55728.3081.0044.41MOLA OATOM458CBALAA 21925.63927.26825.6391.0040.46MOLA CATOM459NLYSA 22025.63327.39828.6391.0044.19MOLA NATOM460CALYSA 22026.30927.65429.8971.0045.36MOLA CATOM461CLYSA 22026.15626.44730.8331.0042.25MOLA CATOM462OLYSA 22027.05026.12031.6051.0040.39MOLA OATOM463CBLYSA 22025.83828.97530.5261.0046.26MOLA CATOM464CGLYSA 22026.82929.51531.5811.0057.07MOLA CATOM465CDLYSA 22026.80531.03931.8131.0051.86MOLA CATOM466CELYSA 22027.35231.34733.2321.0064.64MOLA CATOM467NZLYSA 22027.57432.79533.5751.0059.41MOLA NATOM468NARGA 22125.02625.76230.7171.0042.67MOLA NATOM469CAARGA 22124.74224.54531.4761.0043.12MOLA CATOM470CARGA 22125.84723.52831.2991.0044.97MOLA CATOM471OARGA 22126.38722.98932.2611.0043.68MOLA OATOM472CBARGA 22123.48623.90330.9121.0042.23MOLA CATOM473CGARGA 22123.08622.64131.6271.0048.01MOLA CATOM474CDARGA 22121.87922.92132.4471.0044.15MOLA CATOM475NEARGA 22120.79923.24031.5231.0052.54MOLA NATOM476CZARGA 22119.55623.46531.8991.0046.98MOLA CATOM477NH1ARGA 22119.24223.41433.1901.0045.06MOLA NATOM478NH2ARGA 22118.64223.72830.9851.0051.88MOLA NATOM479NTHRA 22226.11023.24430.0221.0047.71MOLA NATOM480CATHRA 22227.15022.35429.5651.0048.26MOLA CATOM481CTHRA 22228.42722.78330.2121.0050.20MOLA CATOM482OTHRA 22228.94322.07131.0691.0051.35MOLA OATOM483CBTHRA 22227.25922.42628.0491.0047.88MOLA CATOM484CG2THRA 22228.48521.68127.5491.0048.98MOLA CATOM485OG1THRA 22226.08321.83027.4901.0047.71MOLA OTER486THRA 222ATOM487NSERA 23224.39117.43935.3551.0039.34MOLA NATOM488CASERA 23222.96517.65635.3211.0038.72MOLA CATOM489CSERA 23222.22216.70736.2521.0036.89MOLA CATOM490OSERA 23221.47517.14537.1181.0039.02MOLA OATOM491CBSERA 23222.43317.56333.8981.0038.02MOLA CATOM492OGSERA 23223.43817.06833.0381.0045.94MOLA OTER493SERA 232ATOM494NSERA 23717.54122.47338.4941.0043.48MOLA NATOM495CASERA 23717.41123.51637.5011.0043.56MOLA CATOM496CSERA 23716.12724.28937.7331.0043.86MOLA CATOM497OSERA 23715.01723.70537.7331.0045.28MOLA OATOM498CBSERA 23717.46922.97736.0931.0042.41MOLA CATOM499OGSERA 23717.62724.07935.2221.0046.38MOLA OATOM500NVALA 23816.29925.60037.9541.0040.56MOLA NATOM501CAVALA 23815.19426.46938.3101.0036.80MOLA CATOM502CVALA 23815.08627.56137.3191.0035.49MOLA CATOM503OVALA 23815.84528.52837.3651.0036.32MOLA OATOM504CBVALA 23815.39927.12239.6351.0036.20MOLA CATOM505CG1VALA 23814.05527.31340.2811.0032.63MOLA CATOM506CG2VALA 23816.23826.23540.5041.0040.18MOLA CATOM507NPHEA 23914.13827.38336.4141.0033.53MOLA NATOM508CAPHEA 23913.87828.34835.3931.0034.51MOLA CATOM509CPHEA 23912.69429.22535.7991.0037.17MOLA CATOM510OPHEA 23911.56028.72035.9461.0038.32MOLA OATOM511CBPHEA 23913.56827.65734.0801.0032.29MOLA CATOM512CGPHEA 23913.39928.62132.9481.0036.81MOLA CATOM513CD1PHEA 23912.21629.37932.8341.0031.95MOLA CATOM514CD2PHEA 23914.44428.83032.0281.0020.56MOLA CATOM515CE1PHEA 23912.05830.29931.7831.0042.09MOLA CATOM516CE2PHEA 23914.31429.75430.9701.0022.92MOLA CATOM517CZPHEA 23913.12330.50030.8411.0038.40MOLA CATOM518NSERA 24012.94930.52635.9631.0036.63MOLA NATOM519CASERA 24011.91631.44636.4741.0038.69MOLA CATOM520CSERA 24011.50732.53335.5121.0037.76MOLA CATOM521OSERA 24012.34933.23134.9291.0040.65MOLA OATOM522CBSERA 24012.32232.06637.8141.0037.90MOLA CATOM523OGSERA 24011.79531.30938.8951.0040.95MOLA OTER524SERA 240ATOM525NLEUA 2639.43726.95337.0361.0036.80MOLA NATOM526CALEUA 2639.37725.57436.6341.0033.68MOLA CATOM527CLEUA 26310.66024.87437.1271.0033.64MOLA CATOM528OLEUA 26311.76725.31136.8171.0033.67MOLA OATOM529CBLEUA 2639.32225.58235.1311.0033.93MOLA CATOM530CGLEUA 2638.34626.66634.6981.0024.47MOLA CATOM531CD1LEUA 2638.79627.39433.4231.0013.99MOLA CATOM532CD2LEUA 2637.04326.01434.4611.0021.52MOLA CATOM533NVALA 26410.52723.78437.8811.0034.38MOLA NATOM534CAVALA 26411.71523.17538.5181.0033.24MOLA CATOM535CVALA 26412.00621.69538.2231.0033.21MOLA CATOM536OVALA 26411.20420.81038.5421.0031.44MOLA OATOM537CBVALA 26411.68023.38840.0401.0032.52MOLA CATOM538CG1VALA 26412.94422.88440.6491.0029.22MOLA CATOM539CG2VALA 26411.51924.84640.3431.0028.08MOLA CATOM540NASPA 26513.18321.47537.6271.0034.60MOLA NATOM541CAASPA 26513.76420.16637.2801.0032.76MOLA CATOM542CASPA 26514.64019.71038.4071.0034.10MOLA CATOM543OASPA 26515.75720.19038.5611.0033.83MOLA OATOM544CBASPA 26514.68620.34736.0911.0033.82MOLA CATOM545CGASPA 26514.77519.11735.2001.0036.48MOLA CATOM546OD1ASPA 26514.74217.97435.7101.0053.03MOLA OATOM547OD2ASPA 26514.88319.31433.9711.0031.07MOLA OEND Table 7. Novel Eg5 ligand binding site/compound 4 X-ray coordinates. 10 Angstrom shell of the binding pocket. Table 7 discloses residues 111-122, 125-141, 158-162, 170-173, 209-222 and 237-241 of SEQ ID NO: 1, respectively, in order of appearance. TABLE 7Novel Eg5 ligand binding site/compound 4 X-ray coordinates. 10 Angstromshell of the binding pocket. Table 7 discloses residues 111-122, 125-141, 158-162, 170-173, 209-222 and 237-241 of SEQ ID NO: 1, respectively, in order of appearance.ATOM1MGMGA300116.25414.04434.6851.0031.64COFAMGTER2MGA3001ATOM3N1ADPA40018.0208.69525.9331.0033.27COFA NATOM4C2ADPA40019.0988.20425.2711.0031.44COFA CATOM5N3ADPA400110.2768.08625.9341.0032.37COFA NATOM6C1*ADPA400112.7778.13627.9211.0035.82COFA CATOM7C4ADPA400110.4298.49727.2391.0035.47COFA CATOM8C5ADPA40019.2839.04227.9761.0031.50COFA CATOM9C6ADPA40018.0479.10427.2581.0041.54COFA CATOM10N6ADPA40017.0489.59628.0031.0044.03COFA NATOM11N7ADPA40019.6459.39329.2171.0035.06COFA NATOM12C8ADPA400110.9629.08029.3051.0036.03COFA CATOM13N9ADPA400111.3998.55228.1371.0039.01COFA NATOM14C2*ADPA400113.5229.41727.6201.0033.12COFA CATOM15O2*ADPA400113.4029.62526.2181.0046.91COFA OATOM16C3*ADPA400114.8558.98427.9951.0030.92COFA CATOM17O3*ADPA400114.9698.27426.7711.0031.71COFA OATOM18O1AADPA400113.74512.10731.0771.0036.01COFA OATOM19O1BADPA400113.64510.96935.1311.0026.12COFA OATOM20C4*ADPA400114.7107.99529.1431.0027.55COFA CATOM21O4*ADPA400113.3627.52629.0931.0028.27COFA OATOM22O2AADPA400116.21711.08931.2261.0032.93COFA OATOM23O2BADPA400115.04612.64933.7431.0028.81COFA OATOM24C5*ADPA400114.8858.62030.4941.0024.37COFA CATOM25O5*ADPA400114.2079.86330.4181.0032.93COFA OATOM26O3AADPA400114.42610.46432.8331.0046.64COFA OATOM27O3BADPA400116.01910.36634.7351.0018.87COFA OATOM28PAADPA400114.70311.01231.3801.0024.94COFA PATOM29PBADPA400114.83811.21534.2071.0026.65COFA PTER30ADPA4001ATOM31CLLIGA100119.99224.10429.1821.0038.92LIGACLATOM32C1LIGA100116.80922.62227.3391.0037.64LIGA CATOM33C2LIGA100116.52621.87826.1841.0030.16LIGA CATOM34C3LIGA100115.76222.88928.2451.0033.59LIGA CATOM35C4LIGA100116.03323.56129.4271.0025.90LIGA CATOM36C5LIGA100117.36323.93729.6711.0015.37LIGA CATOM37C6LIGA100118.33123.60928.7331.0031.39LIGA CATOM38C7LIGA100118.04122.96027.6221.0023.90LIGA CATOM39N8LIGA100117.45121.52025.2521.0027.11LIGA NATOM40C9LIGA100116.86020.75624.3221.0031.28LIGA CATOM41C10LIGA100117.57420.16323.1411.0039.64LIGA CATOM42N11LIGA100117.94218.78123.4141.0037.27LIGA NATOM43C12LIGA100117.62717.78122.6051.0040.73LIGA CATOM44O13LIGA100117.10217.99421.5641.0044.25LIGA OATOM45C14LIGA100117.92516.38323.0371.0037.87LIGA CATOM46C15LIGA100118.87118.68624.5151.0034.48LIGA CATOM47C16LIGA100117.94518.22525.6321.0029.70LIGA CATOM48C17LIGA100118.78317.74626.8211.0029.02LIGA CATOM49N18LIGA100117.98917.40727.9881.0018.77LIGA NATOM50C19LIGA100118.84520.93022.9431.0041.69LIGA CATOM51C20LIGA100118.49622.25422.2751.0025.34LIGA CATOM52C21LIGA100119.82820.11122.1671.0026.42LIGA CATOM53N22LIGA100115.56320.65124.6531.0028.15LIGA NATOM54C23LIGA100114.65919.84923.9091.0040.14LIGA CATOM55C24LIGA100114.05620.55622.7691.0030.91LIGA CATOM56C25LIGA100115.31221.28725.7941.0036.74LIGA CATOM57C26LIGA100113.24519.76621.9451.0034.81LIGA CATOM58C27LIGA100112.63420.39520.9211.0033.90LIGA CATOM59C28LIGA100112.87321.78820.8031.0030.57LIGA CATOM60C29LIGA100113.70822.48421.6731.0030.94LIGA CATOM61C30LIGA100114.27921.81822.6281.0020.64LIGA CATOM62N31LIGA100118.10615.88024.2981.0031.91LIGA NATOM63N33LIGA100118.31014.50924.1061.0043.25LIGA NATOM64C35LIGA100118.19914.25222.7871.0038.36LIGA CATOM65C36LIGA100117.94515.40122.1411.0039.56LIGA CATOM66C37LIGA100118.51613.56125.1591.0036.12LIGA CATOM67C38LIGA100118.26812.93322.1911.0033.56LIGA CTER68LIGA1001ATOM69NGLNA 783.67514.61124.6141.0019.08MOLA NATOM70CAGLNA 784.19315.81325.2711.0018.06MOLA CATOM71CGLNA 783.12216.88325.2041.0028.18MOLA CATOM72OGLNA 782.80017.55226.2671.0025.87MOLA OATOM73CBGLNA 785.35116.37424.5301.0017.34MOLA CATOM74CGGLNA 786.63615.51724.4561.0025.45MOLA CATOM75CDGLNA 787.34315.54725.7281.0025.40MOLA CATOM76NE2GLNA 788.51916.15425.7201.0028.27MOLA NATOM77OE1GLNA 786.79815.11526.7611.0021.67MOLA OTER78GLNA 78ATOM79NLYSA 11111.50012.71633.9231.0032.84MOLA NATOM80CALYSA 11111.41514.06434.4201.0029.77MOLA CATOM81CLYSA 11112.06615.05133.4221.0030.25MOLA CATOM82OLYSA 11111.49016.10133.0511.0028.66MOLA OATOM83CBLYSA 11112.13214.12135.7331.0031.25MOLA CATOM84CGLYSA 11111.58013.18436.7891.0025.89MOLA CATOM85CDLYSA 11112.29013.42638.1301.0014.88MOLA CATOM86CELYSA 11113.81412.99538.1621.0025.46MOLA CATOM87NZLYSA 11113.94111.54638.3161.0020.49MOLA NATOM88NTHRA 11213.27714.72832.9621.0030.08MOLA NATOM89CATHRA 11213.88515.63332.0211.0028.05MOLA CATOM90CTHRA 11213.07315.60530.7041.0025.93MOLA CATOM91OTHRA 11212.84116.62430.1121.0027.44MOLA OATOM92CBTHRA 11215.38615.36631.8101.0030.35MOLA CATOM93CG2THRA 11215.98816.49931.0861.0026.22MOLA CATOM94OG1THRA 11216.04915.24533.0481.0026.36MOLA OATOM95NPHEA 11312.65114.43030.2651.0022.48MOLA NATOM96CAPHEA 11311.81614.29129.0881.0023.89MOLA CATOM97CPHEA 11310.60215.21029.1591.0024.98MOLA CATOM98OPHEA 11310.28615.98128.2481.0022.65MOLA OATOM99CBPHEA 11311.30012.84328.9211.0023.38MOLA CATOM100CGPHEA 11310.55712.63827.6301.0035.93MOLA CATOM101CD1PHEA 11311.19512.87526.3931.0053.28MOLA CATOM102CD2PHEA 1139.22312.27727.6191.0043.21MOLA CATOM103CE1PHEA 11310.51712.73325.1891.0033.41MOLA CATOM104CE2PHEA 1138.54112.11526.4241.0024.70MOLA CATOM105CZPHEA 1139.18912.33625.1951.0038.47MOLA CATOM106NTHRA 1149.92815.16530.2831.0024.58MOLA NATOM107CATHRA 1148.72315.89030.3951.0024.38MOLA CATOM108CTHRA 1148.98117.35530.4111.0026.54MOLA CATOM109OTHRA 1148.22118.11829.8161.0035.31MOLA OATOM110CBTHRA 1147.99315.46231.6261.0022.83MOLA CATOM111CG2THRA 1146.81816.30131.8521.0030.38MOLA CATOM112OG1THRA 1147.51914.13931.4081.0026.36MOLA OATOM113NMETA 11510.05517.77131.0511.0027.93MOLA NATOM114CAMETA 11510.29019.22331.2731.0027.35MOLA CATOM115CMETA 11511.02319.92930.1551.0024.33MOLA CATOM116OMETA 11510.68921.03929.8371.0024.39MOLA OATOM117CBMETA 11511.01519.42232.5841.0029.60MOLA CATOM118CGMETA 11510.15819.00233.7611.0037.05MOLA CATOM119SDMETA 1159.21820.19434.7591.0041.45MOLA SATOM120CEMETA 1158.74321.41433.8241.0056.91MOLA CATOM121NGLUA 11611.99319.25129.5491.0028.79MOLA NATOM122CAGLUA 11612.76219.76828.3871.0031.95MOLA CATOM123CGLUA 11612.47618.98227.1291.0030.92MOLA CATOM124OGLUA 11612.18119.52326.0741.0032.41MOLA OATOM125CBGLUA 11614.25019.65228.6731.0030.36MOLA CATOM126CGGLUA 11614.69720.14130.0481.0035.58MOLA CATOM127CDGLUA 11616.20819.91830.2591.0044.94MOLA CATOM128OE1GLUA 11616.69720.13231.3871.0032.12MOLA OATOM129OE2GLUA 11616.90619.51129.2961.0032.94MOLA OATOM130NGLYA 11712.55617.68027.2461.0030.29MOLA NATOM131CAGLYA 11712.32916.83326.0941.0036.30MOLA CATOM132CGLYA 11713.45716.76925.0891.0039.46MOLA CATOM133OGLYA 11714.60016.94625.4131.0041.61MOLA OATOM134NGLUA 11813.10616.51323.8451.0040.90MOLA NATOM135CAGLUA 11814.09016.11622.8851.0042.84MOLA CATOM136CGLUA 11813.73216.51121.5331.0040.32MOLA CATOM137OGLUA 11812.55716.70521.2141.0039.49MOLA OATOM138CBGLUA 11814.22714.59422.8661.0039.45MOLA CATOM139CGGLUA 11814.35113.95524.2241.0034.66MOLA CATOM140CDGLUA 11814.73812.47324.1451.0045.04MOLA CATOM141OE1GLUA 11815.00411.98222.9991.0040.72MOLA OATOM142OE2GLUA 11814.77111.81325.2321.0036.80MOLA OATOM143NARGA 11914.78016.61820.7291.0042.17MOLA NATOM144CAARGA 11914.60516.85319.3331.0046.44MOLA CATOM145CARGA 11914.47915.52418.6851.0045.22MOLA CATOM146OARGA 11915.12114.56819.1151.0039.75MOLA OATOM147CBARGA 11915.71217.68718.7231.0042.34MOLA CATOM148CGARGA 11914.96518.56217.8641.0058.04MOLA CATOM149CDARGA 11915.21519.92117.4701.0057.38MOLA CATOM150NEARGA 11915.45319.97416.0191.0059.53MOLA NATOM151CZARGA 11914.98320.95015.2301.0082.71MOLA CATOM152NH1ARGA 11914.20621.90215.7301.0089.97MOLA NATOM153NH2ARGA 11915.22020.95413.9291.0079.90MOLA NATOM154NSERA 12013.58015.44417.7111.0049.95MOLA NATOM155CASERA 12013.25314.17417.0581.0054.89MOLA CATOM156CSERA 12014.41213.67416.1551.0057.07MOLA CATOM157OSERA 12015.00514.46415.4291.0053.62MOLA OATOM158CBSERA 12011.92114.36216.3061.0055.53MOLA CATOM159OGSERA 12010.97915.08717.1181.0060.69MOLA OATOM160NPROA 12114.75012.36216.2251.0060.88MOLA NATOM161CAPROA 12115.91211.83515.4841.0062.93MOLA CATOM162CPROA 12115.87712.32414.0751.0067.08MOLA CATOM163OPROA 12114.92012.08613.3581.0067.41MOLA OATOM164CBPROA 12115.72310.32515.4711.0061.44MOLA CATOM165CGPROA 12114.52510.03416.2651.0061.39MOLA CATOM166CDPROA 12114.04411.29316.9521.0062.04MOLA CATOM167NASNA 12216.96212.97013.7051.0070.27MOLA NATOM168CAASNA 12217.12913.78812.4921.0070.95MOLA CATOM169CASNA 12216.08314.76211.9911.0071.69MOLA CATOM170OASNA 12216.49815.76411.4411.0070.23MOLA OATOM171CBASNA 12217.69113.07011.2651.0070.88MOLA CATOM172CGASNA 12218.56811.90511.6121.0068.36MOLA CATOM173ND2ASNA 12218.08511.04112.4591.0063.57MOLA NATOM174OD1ASNA 12219.68211.80711.1481.0069.66MOLA OTER175ASNA 122ATOM176NTYRA 12511.37617.77311.7271.0056.33MOLA NATOM177CATYRA 12510.56118.89112.2881.0056.16MOLA CATOM178CTYRA 12511.45320.04712.6511.0053.99MOLA CATOM179OTYRA 12512.58419.84512.9961.0057.11MOLA OATOM180CBTYRA 1259.80818.47413.5701.0052.63MOLA CATOM181CGTYRA 1258.82117.35813.3981.0049.44MOLA CATOM182CD1TYRA 1257.50617.60613.0251.0039.90MOLA CATOM183CD2TYRA 1259.18916.03313.6371.0039.63MOLA CATOM184CE1TYRA 1256.59916.54112.9001.0043.96MOLA CATOM185CE2TYRA 1258.27014.97013.5111.0038.40MOLA CATOM186CZTYRA 1257.01215.22213.1451.0035.88MOLA CATOM187OHTYRA 1256.15514.15913.0791.0049.81MOLA OATOM188NTHRA 12610.94121.25712.6031.0053.17MOLA NATOM189CATHRA 12611.67222.37713.2241.0057.70MOLA CATOM190CTHRA 12611.41722.32914.7341.0058.39MOLA CATOM191OTHRA 12610.71321.45715.2221.0061.85MOLA OATOM192CBTHRA 12611.24823.74612.7361.0057.89MOLA CATOM193CG2THRA 12611.35623.76111.2611.0061.23MOLA CATOM194OG1THRA 1269.91924.03913.2291.0059.38MOLA OATOM195NTRPA 12711.94623.28515.4831.0056.54MOLA NATOM196CATRPA 12711.97123.12616.9231.0051.26MOLA CATOM197CTRPA 12710.69123.49617.5531.0052.25MOLA CATOM198OTRPA 12710.44923.00318.6621.0046.65MOLA OATOM199CBTRPA 12713.13523.91917.5961.0047.91MOLA CATOM200CGTRPA 12713.01925.40717.5961.0035.37MOLA CATOM201CD1TRPA 12713.49226.24516.6451.0043.94MOLA CATOM202CD2TRPA 12712.37426.23118.5761.0033.67MOLA CATOM203CE2TRPA 12712.49327.57418.1251.0043.91MOLA CATOM204CE3TRPA 12711.65725.97219.7641.0044.32MOLA CATOM205NE1TRPA 12713.18727.54016.9501.0037.69MOLA NATOM206CZ2TRPA 12711.98328.68018.8551.0037.78MOLA CATOM207CZ3TRPA 12711.09527.09620.5051.0039.59MOLA CATOM208CH2TRPA 12711.27528.41520.0381.0046.66MOLA CATOM209NGLUA 1289.88424.34016.8741.0052.47MOLA NATOM210CAGLUA 1288.63224.83117.4811.0051.45MOLA CATOM211CGLUA 1287.39324.01017.0301.0049.91MOLA CATOM212OGLUA 1286.24324.34717.3091.0052.14MOLA OATOM213CBGLUA 1288.49226.33017.2771.0048.29MOLA CATOM214CGGLUA 1288.76026.79115.8771.0054.22MOLA CATOM215CDGLUA 1289.02328.29315.7781.0055.05MOLA CATOM216OE1GLUA 12810.07728.63415.2051.0063.55MOLA OATOM217OE2GLUA 1288.16329.12416.2291.0044.73MOLA OATOM218NGLUA 1297.66322.88316.3861.0049.10MOLA NATOM219CAGLUA 1296.63021.96015.9051.0050.36MOLA CATOM220CGLUA 1296.90320.57616.4111.0046.20MOLA CATOM221OGLUA 1296.12519.66516.2171.0045.26MOLA OATOM222CBGLUA 1296.77421.77914.3981.0052.68MOLA CATOM223CGGLUA 1295.80222.53213.4191.0061.49MOLA CATOM224CDGLUA 1295.70724.04913.7771.0062.78MOLA CATOM225OE1GLUA 1296.35724.90913.1291.0045.45MOLA OATOM226OE2GLUA 1294.93124.39514.7161.0059.05MOLA OATOM227NASPA 1308.04520.39817.0221.0043.74MOLA NATOM228CAASPA 1308.51319.06717.3301.0041.73MOLA CATOM229CASPA 1307.76418.45318.4671.0039.12MOLA CATOM230OASPA 1307.82818.96719.5521.0044.27MOLA OATOM231CBASPA 1309.96319.11417.7311.0037.08MOLA CATOM232CGASPA 13010.56017.73917.7561.0048.19MOLA CATOM233OD1ASPA 13011.77817.57217.5161.0035.03MOLA OATOM234OD2ASPA 1309.77216.79117.9721.0040.03MOLA OATOM235NPROA 1317.00217.39418.2111.0037.74MOLA NATOM236CAPROA 1316.22216.66519.1971.0036.34MOLA CATOM237CPROA 1316.98016.18820.4541.0038.07MOLA CATOM238OPROA 1316.40916.00821.5581.0037.70MOLA OATOM239CBPROA 1315.71115.43618.3991.0033.03MOLA CATOM240CGPROA 1316.43215.40917.2151.0037.62MOLA CATOM241CDPROA 1316.76616.83716.8731.0037.65MOLA CATOM242NLEUA 1328.24915.89120.2941.0040.42MOLA NATOM243CALEUA 1329.02415.46421.4711.0040.49MOLA CATOM244CLEUA 1329.53016.68022.3111.0036.73MOLA CATOM245OLEUA 13210.26516.51423.2651.0033.82MOLA OATOM246CBLEUA 13210.20714.61421.0321.0041.62MOLA CATOM247CGLEUA 1329.90113.26820.4141.0034.30MOLA CATOM248CD1LEUA 13211.22412.53720.1821.0028.89MOLA CATOM249CD2LEUA 1329.01312.43521.2401.0027.42MOLA CATOM250NALAA 1339.13617.88621.9571.0032.85MOLA NATOM251CAALAA 1339.52319.02322.7581.0035.74MOLA CATOM252CALAA 1338.84718.89724.1061.0035.93MOLA CATOM253OALAA 1337.73818.37224.1571.0030.95MOLA OATOM254CBALAA 1339.12420.31022.0991.0036.70MOLA CATOM255NGLYA 1349.54019.37525.1651.0033.37MOLA NATOM256CAGLYA 1349.02319.36326.5161.0033.29MOLA CATOM257CGLYA 1348.40720.66526.9861.0032.18MOLA CATOM258OGLYA 1348.12921.53626.2191.0031.63MOLA OATOM259NILEA 1358.17820.81228.2901.0030.60MOLA NATOM260CAILEA 1357.45921.98628.7901.0027.00MOLA CATOM261CILEA 1358.20223.27628.5121.0026.01MOLA CATOM262OILEA 1357.66524.25528.0701.0026.20MOLA OATOM263CBILEA 1357.21521.78430.2631.0029.22MOLA CATOM264CG1ILEA 1356.23120.62030.4731.0028.60MOLA CATOM265CG2ILEA 1356.72023.03730.9161.0036.81MOLA CATOM266CD1ILEA 1355.78220.35431.9541.0030.82MOLA CATOM267NILEA 1369.46123.29728.8091.0029.92MOLA NATOM268CAILEA 13610.22624.56828.6841.0029.21MOLA CATOM269CILEA 13610.22325.23427.2821.0030.19MOLA CATOM270OILEA 1369.84426.39027.1161.0028.56MOLA OATOM271CBILEA 13611.67824.34129.1721.0026.07MOLA CATOM272CG1ILEA 13611.65524.23430.6691.0019.35MOLA CATOM273CG2ILEA 13612.60225.42028.7231.0019.77MOLA CATOM274CD1ILEA 13612.79423.55131.2491.0021.35MOLA CATOM275NPROA 13710.65924.50026.2771.0031.30MOLA NATOM276CAPROA 13710.66625.05324.9211.0031.51MOLA CATOM277CPROA 1379.24825.43224.4721.0030.49MOLA CATOM278OPROA 1379.05526.42423.8231.0034.14MOLA OATOM279CBPROA 13711.19123.88724.0531.0030.90MOLA CATOM280CGPROA 13711.02122.64424.8711.0031.62MOLA CATOM281CDPROA 13711.09223.09326.3401.0031.42MOLA CATOM282NARGA 1388.25824.63324.8041.0030.91MOLA NATOM283CAARGA 1386.89024.94724.4251.0030.78MOLA CATOM284CARGA 1386.42926.15925.1661.0029.55MOLA CATOM285OARGA 1385.74326.99124.6031.0034.99MOLA OATOM286CBARGA 1385.94523.79024.7541.0028.23MOLA CATOM287CGARGA 1386.03022.68423.7781.0025.72MOLA CATOM288CDARGA 1385.22321.44124.1881.0029.72MOLA CATOM289NEARGA 1385.67020.29123.3891.0037.37MOLA NATOM290CZARGA 1385.05419.78722.3131.0044.68MOLA CATOM291NH1ARGA 1383.89420.28121.8671.0026.49MOLA NATOM292NH2ARGA 1385.60518.75621.6921.0039.36MOLA NATOM293NTHRA 1396.76226.25126.4491.0026.54MOLA NATOM294CATHRA 1396.26927.37327.2181.0028.59MOLA CATOM295CTHRA 1396.85928.68026.7161.0028.09MOLA CATOM296OTHRA 1396.18729.65626.5381.0026.50MOLA OATOM297CBTHRA 1396.53627.19028.6601.0030.10MOLA CATOM298CG2THRA 1396.10728.42129.3651.0029.94MOLA CATOM299OG1THRA 1395.79126.05029.1331.0023.80MOLA OATOM300NLEUA 1408.11928.64426.3851.0032.17MOLA NATOM301CALEUA 1408.77829.80025.8301.0033.69MOLA CATOM302CLEUA 1408.19630.25824.5181.0036.42MOLA CATOM303OLEUA 1407.98431.44324.3191.0036.16MOLA OATOM304CBLEUA 14010.24129.49225.6161.0034.03MOLA CATOM305CGLEUA 14011.05829.54926.9151.0042.16MOLA CATOM306CD1LEUA 14012.55129.29226.6871.0044.26MOLA CATOM307CD2LEUA 14010.85630.88227.7191.0032.25MOLA CATOM308NHISA 1417.95429.33423.6171.0035.29MOLA NATOM309CAHISA 1417.33629.69122.3691.0036.22MOLA CATOM310CHISA 1415.95530.33222.5601.0036.58MOLA CATOM311OHISA 1415.63731.32421.9181.0035.28MOLA OATOM312CBHISA 1417.26528.43121.5041.0038.92MOLA CATOM313CGHISA 1416.78728.65920.0971.0046.28MOLA CATOM314CD2HISA 1417.43929.08718.9881.0059.13MOLA CATOM315ND1HISA 1415.48928.40419.7061.0053.80MOLA NATOM316CE1HISA 1415.35928.66618.4211.0053.06MOLA CATOM317NE2HISA 1416.52429.08917.9611.0058.70MOLA NTER318HISA 141ATOM319NVALA 15815.47034.38831.1651.0035.84MOLA NATOM320CAVALA 15815.49433.06231.7471.0032.10MOLA CATOM321CVALA 15816.68532.85732.6481.0032.79MOLA CATOM322OVALA 15817.69933.54632.5721.0037.06MOLA OATOM323CBVALA 15815.55332.05130.6341.0034.98MOLA CATOM324CG1VALA 15814.27832.15029.7701.0028.33MOLA CATOM325CG2VALA 15816.76232.28229.7881.0038.81MOLA CATOM326NSERA 15916.56731.92133.5581.0033.87MOLA NATOM327CASERA 15917.76431.52734.3311.0032.32MOLA CATOM328CSERA 15917.80229.98834.5371.0030.43MOLA CATOM329OSERA 15916.73629.29534.4871.0035.25MOLA OATOM330CBSERA 15917.86232.32535.6371.0031.46MOLA CATOM331OGSERA 15916.71432.13036.4101.0039.39MOLA OATOM332NLEUA 16018.98729.41834.6861.0025.85MOLA NATOM333CALEUA 16019.04927.99534.9821.0027.49MOLA CATOM334CLEUA 16019.98327.79836.1681.0026.15MOLA CATOM335OLEUA 16021.14728.17636.1131.0026.68MOLA OATOM336CBLEUA 16019.47927.15433.7291.0029.02MOLA CATOM337CGLEUA 16019.55925.62233.8571.0034.07MOLA CATOM338CD1LEUA 16018.25525.02334.3931.0022.04MOLA CATOM339CD2LEUA 16019.90424.91832.5891.0030.36MOLA CATOM340NLEUA 16119.47627.22537.2521.0024.69MOLA NATOM341CALEUA 16120.33226.90138.3551.0025.67MOLA CATOM342CLEUA 16120.14425.47138.7301.0027.76MOLA CATOM343OLEUA 16119.22824.81338.1931.0032.71MOLA OATOM344CBLEUA 16120.12427.82539.5181.0022.36MOLA CATOM345CGLEUA 16118.87627.72740.3551.0021.18MOLA CATOM346CD1LEUA 16119.00826.71341.4651.0028.78MOLA CATOM347CD2LEUA 16118.66829.09841.0301.0022.60MOLA CATOM348NGLUA 16221.04124.94139.5781.0025.99MOLA NATOM349CAGLUA 16220.90023.60140.0701.0023.57MOLA CATOM350CGLUA 16221.16423.61641.5261.0027.46MOLA CATOM351OGLUA 16221.86524.50242.0361.0027.31MOLA OATOM352CBGLUA 16221.93522.78539.4431.0024.81MOLA CATOM353CGGLUA 16221.41121.96038.3281.0029.19MOLA CATOM354CDGLUA 16222.48521.11237.6691.0045.23MOLA CATOM355OE1GLUA 16222.39120.90236.4321.0030.52MOLA OATOM356OE2GLUA 16223.39320.65138.4191.0045.86MOLA OTER357GLUA 162ATOM358NASPA 17025.05528.14839.1871.0031.07MOLA NATOM359CAASPA 17024.49828.80438.0231.0031.71MOLA CATOM360CASPA 17024.90727.97836.8691.0031.16MOLA CATOM361OASPA 17025.99927.56836.8581.0033.22MOLA OATOM362CBASPA 17025.13530.18837.8941.0031.72MOLA CATOM363CGASPA 17024.47231.01336.8781.0035.54MOLA CATOM364OD1ASPA 17023.86130.41235.9621.0023.42MOLA OATOM365OD2ASPA 17024.54432.24637.0131.0042.79MOLA OATOM366NLEUA 17124.10327.74135.8731.0034.95MOLA NATOM367CALEUA 17124.61026.97534.7161.0038.50MOLA CATOM368CLEUA 17124.70627.74733.3861.0038.97MOLA CATOM369OLEUA 17125.16427.20332.3451.0039.55MOLA OATOM370CBLEUA 17123.73225.76234.5151.0039.03MOLA CATOM371CGLEUA 17124.05124.68335.5281.0035.66MOLA CATOM372CD1LEUA 17123.02124.56336.5261.0035.70MOLA CATOM373CD2LEUA 17124.07923.36934.7181.0042.72MOLA CATOM374NLEUA 17224.26028.99833.4151.0035.63MOLA NATOM375CALEUA 17224.20629.78432.2051.0038.62MOLA CATOM376CLEUA 17225.25630.85532.2391.0040.33MOLA CATOM377OLEUA 17225.44631.60231.2611.0049.47MOLA OATOM378CBLEUA 17222.82330.40632.0231.0040.33MOLA CATOM379CGLEUA 17221.81129.50831.2991.0035.66MOLA CATOM380CD1LEUA 17221.86128.04731.6621.0052.98MOLA CATOM381CD2LEUA 17220.47530.09831.5291.0018.42MOLA CATOM382NASNA 17325.97530.94533.3441.0043.84MOLA NATOM383CAASNA 17327.10331.88333.3911.0045.56MOLA CATOM384CASNA 17328.31431.53332.4971.0046.22MOLA CATOM385OASNA 17328.88530.47532.6531.0045.01MOLA OATOM386CBASNA 17327.63532.01034.8021.0044.11MOLA CATOM387CGASNA 17328.81733.05834.8981.0048.63MOLA CATOM388ND2ASNA 17328.79133.88535.9521.0028.03MOLA NATOM389OD1ASNA 17329.69833.13134.0151.0047.59MOLA OTER390ASNA 173ATOM391NILEA 20219.40735.52531.1501.0039.51MOLA NATOM392CAILEA 20219.55735.72629.7231.0040.20MOLA CATOM393CILEA 20218.26336.21529.1331.0039.54MOLA CATOM394OILEA 20217.21635.54129.2621.0038.09MOLA OATOM395CBILEA 20219.97834.41929.0161.0040.41MOLA CATOM396CG1ILEA 20221.41634.11629.4431.0036.04MOLA CATOM397CG2ILEA 20219.90634.55827.4961.0035.29MOLA CATOM398CD1ILEA 20221.93732.78128.9141.0046.74MOLA CTER399ILEA 202ATOM400NGLUA 20915.36133.15219.1201.0051.98MOLA NATOM401CAGLUA 20916.51633.18120.0011.0048.60MOLA CATOM402CGLUA 20916.40632.09921.0761.0044.55MOLA CATOM403OGLUA 20917.35931.79021.7411.0046.63MOLA OATOM404CBGLUA 20916.64734.55020.6221.0047.15MOLA CATOM405CGGLUA 20918.05034.85621.0741.0054.94MOLA CATOM406CDGLUA 20918.17436.26921.6561.0065.61MOLA CATOM407OE1GLUA 20918.15536.46222.8831.0079.56MOLA OATOM408OE2GLUA 20918.25537.21920.8851.0073.23MOLA OATOM409NVALA 21015.23631.48421.2011.0043.35MOLA NATOM410CAVALA 21015.00430.47522.2221.0042.64MOLA CATOM411CVALA 21015.85429.27921.9231.0044.94MOLA CATOM412OVALA 21016.57028.77222.7931.0048.25MOLA OATOM413CBVALA 21013.56829.94122.2961.0039.05MOLA CATOM414CG1VALA 21013.09430.00823.6111.0044.35MOLA CATOM415CG2VALA 21012.61530.86221.6161.0039.63MOLA CATOM416NTYRA 21115.78628.81320.6841.0044.83MOLA NATOM417CATYRA 21116.53927.62420.3841.0042.50MOLA CATOM418CTYRA 21118.01027.82120.7251.0044.62MOLA CATOM419OTYRA 21118.58827.10421.5271.0046.32MOLA OATOM420CBTYRA 21116.35427.17718.9621.0036.60MOLA CATOM421CGTYRA 21116.76625.72418.8081.0041.62MOLA CATOM422CD1TYRA 21115.99524.66519.3771.0051.90MOLA CATOM423CD2TYRA 21117.90825.38818.1291.0032.38MOLA CATOM424CE1TYRA 21116.37023.33019.2461.0040.57MOLA CATOM425CE2TYRA 21118.29024.06618.0221.0043.32MOLA CATOM426CZTYRA 21117.50723.05718.5681.0038.83MOLA CATOM427OHTYRA 21117.88621.79418.4311.0031.99MOLA OATOM428NGLNA 21218.59428.83920.1441.0047.41MOLA NATOM429CAGLNA 21220.01329.07520.3071.0047.52MOLA CATOM430CGLNA 21220.32429.05321.8071.0043.97MOLA CATOM431OGLNA 21221.31728.48422.2381.0038.47MOLA OATOM432CSGLNA 21220.41530.44319.6671.0047.95MOLA CATOM433CGGLNA 21219.92730.69518.1701.0045.88MOLA CATOM434CDGLNA 21219.69732.20017.8161.0056.45MOLA CATOM435NE2GLNA 21220.43133.07418.4721.0067.14MOLA NATOM436OE1GLNA 21218.86032.55516.9801.0072.99MOLA OATOM437NILEA 21319.48229.70622.6051.0044.51MOLA NATOM438CAILEA 21319.75129.82524.0381.0044.13MOLA CATOM439CILEA 21319.81428.44424.7281.0045.10MOLA CATOM440OILEA 21320.77028.12625.4441.0044.95MOLA OATOM441CBILEA 21318.69930.70024.6781.0043.99MOLA CATOM442CG1ILEA 21318.98132.14224.2861.0042.97MOLA CATOM443CG2ILEA 21318.68630.50426.2011.0038.42MOLA CATOM444CD1ILEA 21317.93033.14424.7241.0054.63MOLA CATOM445NLEUA 21418.83227.60124.4311.0043.17MOLA NATOM446CALEUA 21418.79026.23224.9211.0045.83MOLA CATOM447CLEUA 21419.92625.31624.4271.0047.44MOLA CATOM448OLEUA 21420.45924.53625.1971.0051.80MOLA OATOM449CBLEUA 21417.43325.61624.5961.0045.89MOLA CATOM450CGLEUA 21416.33626.52625.1841.0048.79MOLA CATOM451CD1LEUA 21414.99226.02824.7521.0043.79MOLA CATOM452CD2LEUA 21416.45926.61226.7001.0048.71MOLA CATOM453NGLUA 21520.31425.37523.1691.0049.53MOLA NATOM454CAGLUA 21521.50724.63022.6901.0049.94MOLA CATOM455CGLUA 21522.69724.85023.5861.0048.94MOLA CATOM456OGLUA 21523.25123.92024.1651.0051.22MOLA OATOM457CBGLUA 21521.93625.14321.3181.0051.55MOLA CATOM458CGGLUA 21522.55024.11620.4351.0049.34MOLA CATOM459CDGLUA 21522.38224.52619.0091.0051.60MOLA CATOM460OE1GLUA 21522.11823.64718.1831.0059.66MOLA OATOM461OE2GLUA 21522.44525.73618.7041.0032.86MOLA OATOM462NLYSA 21623.10526.10623.6171.0047.42MOLA NATOM463CALYSA 21624.11426.58424.4891.0047.67MOLA CATOM464CLYSA 21624.04625.89525.8171.0044.04MOLA CATOM465OLYSA 21624.93725.06126.1101.0047.37MOLA OATOM466CBLYSA 21623.88928.05824.6961.0047.76MOLA CATOM467CGLYSA 21625.14428.84024.5701.0056.16MOLA CATOM468CDLYSA 21625.03130.30225.0251.0056.30MOLA CATOM469CELYSA 21626.44930.93824.8541.0063.07MOLA CATOM470NZLYSA 21626.43932.38124.3741.0059.00MOLA NATOM471NGLYA 21722.99126.19026.5961.0037.38MOLA NATOM472CAGLYA 21722.88225.65127.9641.0037.42MOLA CATOM473CGLYA 21723.37124.20728.0611.0038.18MOLA CATOM474OGLYA 21724.13523.83528.9821.0037.32MOLA OATOM475NALAA 21822.95323.39727.0821.0035.55MOLA NATOM476CAALAA 21823.16521.97827.1631.0037.44MOLA CATOM477CALAA 21824.62421.56927.0611.0039.67MOLA CATOM478OALAA 21825.06520.65327.7761.0038.88MOLA OATOM479CBALAA 21822.40321.31826.0791.0037.86MOLA CATOM480NALAA 21925.32922.22726.1281.0042.38MOLA NATOM481CAALAA 21926.76722.10925.9221.0041.37MOLA CATOM482CALAA 21927.43522.55727.1961.0042.35MOLA CATOM483OALAA 21928.27521.86527.7441.0043.93MOLA OATOM484CBALAA 21927.18423.00924.8441.0041.31MOLA CATOM485NLYSA 22027.04223.71427.6781.0037.89MOLA NATOM486CALYSA 22027.60024.13628.8891.0036.26MOLA CATOM487CLYSA 22027.26623.08529.9201.0039.39MOLA CATOM488OLYSA 22028.15422.59730.6421.0043.65MOLA OATOM489CBLYSA 22027.00125.45929.2971.0035.22MOLA CATOM490CGLYSA 22027.99926.42829.2161.0030.27MOLA CATOM491CDLYSA 22027.70327.58030.1331.0049.97MOLA CATOM492CELYSA 22028.86328.55529.8841.0056.37MOLA CATOM493NZLYSA 22029.13528.97831.3581.0068.28MOLA NATOM494NARGA 22125.98322.73430.0021.0036.86MOLA NATOM495CAARGA 22125.56322.00431.1891.0036.32MOLA CATOM496CARGA 22126.40720.76731.2031.0033.60MOLA CATOM497OARGA 22126.94120.40132.2291.0030.61MOLA OATOM498CBARGA 22124.05321.74031.2101.0040.80MOLA CATOM499CGARGA 22123.59020.92132.3511.0033.93MOLA CATOM500CDARGA 22122.08720.92332.4641.0029.82MOLA CATOM501NEARGA 22121.46520.53031.2231.0039.42MOLA NATOM502CZARGA 22120.20220.69430.9541.0027.72MOLA CATOM503NH1ARGA 22119.43521.28031.8031.0029.59MOLA NATOM504NH2ARGA 22119.73620.33729.7841.0043.17MOLA NATOM505NTHRA 22226.62420.22730.0141.0034.51MOLA NATOM506CATHRA 22227.39818.99529.8331.0034.65MOLA CATOM507CTHRA 22228.86819.13430.1521.0034.96MOLA CATOM508OTHRA 22229.47318.24230.7321.0035.19MOLA OATOM509CBTHRA 22227.29618.50128.4011.0036.34MOLA CATOM510CG2THRA 22228.42017.52028.0611.0034.55MOLA CATOM511OG1THRA 22226.04417.82228.2261.0032.56MOLA OTER512THRA 222ATOM513NSERA 23223.51314.53037.3141.0031.51MOLA NATOM514CASERA 23222.28515.28337.1431.0032.40MOLA CATOM515CSERA 23221.10014.65637.9721.0032.63MOLA CATOM516OSERA 23220.11115.35938.3491.0034.39MOLA OATOM517CBSERA 23222.01215.39135.6621.0031.42MOLA CATOM518OGSERA 23221.01014.49635.3391.0035.99MOLA OTER519SERA 232ATOM520NSERA 23717.07420.77939.3631.0024.70MOLA NATOM521CASERA 23717.29921.77138.3251.0023.59MOLA CATOM522CSERA 23716.16722.81138.3551.0026.19MOLA CATOM523OSERA 23715.02422.45038.3351.0026.71MOLA OATOM524CBSERA 23717.37021.10936.9581.0024.16MOLA CATOM525OGSERA 23717.66322.04735.9561.0031.24MOLA OATOM526NVALA 23816.47824.09638.4461.0025.17MOLA NATOM527CAVALA 23815.40425.05438.5121.0027.76MOLA CATOM528CVALA 23815.54825.88737.2571.0028.33MOLA CATOM529OVALA 23816.59326.43337.0501.0025.53MOLA OATOM530CBVALA 23815.45125.93339.7811.0028.84MOLA CATOM531CG1VALA 23814.36826.94839.7741.0028.71MOLA CATOM532CG2VALA 23815.28925.09841.0411.0020.88MOLA CATOM533NPHEA 23914.52625.92936.3811.0029.59MOLA NATOM534CAPHEA 23914.58926.75935.1651.0029.03MOLA CATOM535CPHEA 23913.52827.83935.2401.0027.62MOLA CATOM536OPHEA 23912.35827.57535.0421.0028.47MOLA OATOM537CBPHEA 23914.40325.92133.8981.0028.66MOLA CATOM538CGPHEA 23914.60626.70132.6261.0025.64MOLA CATOM539CD1PHEA 23913.68627.52232.1441.0017.52MOLA CATOM540CD2PHEA 23915.72226.63331.9271.0038.58MOLA CATOM541CE1PHEA 23913.92928.28930.9671.0032.14MOLA CATOM542CE2PHEA 23915.88927.39730.7001.0040.60MOLA CATOM543CZPHEA 23914.99528.17430.2731.0034.31MOLA CATOM544NSERA 24013.93729.07235.4951.0029.19MOLA NATOM545CASERA 24012.97630.18535.7811.0028.96MOLA CATOM546CSERA 24012.89031.10934.6321.0029.06MOLA CATOM547OSERA 24013.90631.69934.2721.0034.55MOLA OATOM548CBSERA 24013.39030.99237.0361.0020.52MOLA CATOM549OGSERA 24012.89830.38838.1961.0024.32MOLA OATOM550NVALA 24111.69331.24934.0861.0029.99MOLA NATOM551CAVALA 24111.40732.26533.0621.0032.96MOLA CATOM552CVALA 24110.61733.41433.7281.0035.76MOLA CATOM553OVALA 2419.64033.20134.3981.0038.39MOLA OATOM554CBVALA 24110.70431.65731.7671.0034.94MOLA CATOM555CG1VALA 2419.70530.52732.1321.0041.40MOLA CATOM556CG2VALA 2419.99432.72630.9401.0025.05MOLA CTER557VALA 241ATOM558NLEUA 26310.26126.01836.5561.0026.45MOLA NATOM559CALEUA 26310.13524.65936.0671.0028.33MOLA CATOM560CLEUA 26311.20723.84436.7281.0025.69MOLA CATOM561OLEUA 26312.38123.98836.4131.0021.56MOLA OATOM562CBLEUA 26310.26424.62834.5431.0030.73MOLA CATOM563CGLEUA 2639.15025.51233.9691.0032.32MOLA CATOM564CD1LEUA 2639.53825.95132.5821.0036.47MOLA CATOM565CD2LEUA 2637.74824.82234.0421.0022.02MOLA CATOM566NVALA 26410.77522.98937.6531.0023.75MOLA NATOM567CAVALA 26411.66122.22838.4831.0024.66MOLA CATOM568CVALA 26411.72520.76038.1191.0026.92MOLA CATOM569OVALA 26410.69320.05938.1031.0032.37MOLA OATOM570CBVALA 26411.24422.36539.8951.0025.18MOLA CATOM571CG1VALA 26412.32521.85540.7551.0027.26MOLA CATOM572CG2VALA 26411.06923.78440.2201.0030.60MOLA CATOM573NASPA 26512.95020.30437.8081.0025.30MOLA NATOM574CAASPA 26513.25218.91137.4361.0020.74MOLA CATOM575CASPA 26514.02718.33938.5921.0024.63MOLA CATOM576OASPA 26515.24518.49938.7191.0029.78MOLA OATOM577CBASPA 26514.03018.89336.1521.0020.01MOLA CATOM578CGASPA 26514.37017.53435.7131.0023.17MOLA CATOM579OD1ASPA 26514.07416.65036.4931.0022.66MOLA OATOM580OD2ASPA 26514.94117.34434.5951.0024.80MOLA OEND Table 8. Novel Eg5 ligand binding site/compound 5 X-ray coordinates. 10 Angstrom shell of the binding pocket. Table 8 discloses residues 110-121, 123-141, 158-161, 206-222 and 237-240 of SEQ ID NO: 1, respectively, in order of appearance. TABLE 8Novel Eg5 ligand binding site/compound 5 X-ray coordinates. 10Angstrom shell of the binding pocket. Table 8 discloses residues 110-121, 123-141, 158-161, 206-222 and 237-240 of SEQ ID NO: 1, respectively, in order of appearance.ATOM1N1ADPA40018.7059.88925.6401.0033.28COFA NATOM2C2ADPA40019.8489.67324.9431.0035.03COFA CATOM3N3ADPA400111.0629.69125.5071.0032.17COFA NATOM4C1*ADPA400113.5119.79027.1441.0030.57COFA CATOM5C4ADPA400111.1259.88126.8331.0031.72COFA CATOM6C5ADPA40019.91610.09727.6461.0028.45COFA CATOM7C6ADPA40018.67310.10626.9581.0033.89COFA CATOM8N6ADPA40017.55910.30927.6751.0037.80COFA NATOM9N7ADPA400110.24110.28128.8961.0029.68COFA NATOM10C8ADPA400111.61910.20328.8961.0035.05COFA CATOM11N9ADPA400112.1399.98027.6511.0032.92COFA NATOM12C2*ADPA400114.10811.05326.5411.0032.21COFA CATOM13O2*ADPA400114.11411.19825.1401.0034.68COFA OATOM14C3*ADPA400115.55210.84227.0071.0035.73COFA CATOM15O3*ADPA400116.1339.69826.3041.0028.83COFA OATOM16O1AADPA400117.08713.82031.2171.0041.64COFA OATOM17O1BADPA400117.16512.21733.5961.0022.18COFA OATOM18C4*ADPA400115.35510.51128.4861.0033.22COFA CATOM19O4*ADPA400114.4619.40128.1541.0035.08COFA OATOM20O2AADPA400116.60211.45430.2701.0036.64COFA OATOM21O2BADPA400114.81012.48134.6431.0021.26COFA OATOM22C5*ADPA400114.63311.58729.4331.0029.64COFA CATOM23O5*ADPA400115.17912.92829.7651.0014.42COFA OATOM24O3AADPA400115.10912.24632.1641.0021.78COFA OATOM25O3BADPA400116.02114.20333.1991.0016.99COFA OATOM26PAADPA400116.07012.71630.9131.0034.78COFA PATOM27PBADPA400115.80012.72133.5171.0021.35COFA PTER28ADPA4001ATOM29MGMGA300117.70615.24833.6001.0059.88COFBMGTER30MGA3001ATOM31CLLIGA100111.66722.17520.5021.0038.34LIGACLATOM32C1LIGA100115.96224.80327.2851.0050.62LIGA CATOM33N1LIGA100117.91124.78626.2581.0054.67LIGA NATOM34O1LIGA100117.57020.67522.6561.0052.02LIGA OATOM35C2LIGA100115.08724.98128.3571.0051.01LIGA CATOM36N2LIGA100117.77222.59523.8591.0048.70LIGA NATOM37C3LIGA100115.56325.41329.5921.0050.41LIGA CATOM38N3LIGA100115.75924.40426.0351.0050.71LIGA NATOM39C4LIGA100116.94425.64829.7281.0054.40LIGA CATOM40M4LIGA100117.97219.35327.0511.0035.49LIGA NATOM41C5LIGA100117.85125.46728.6571.0053.59LIGA CATOM42C6LIGA100117.33325.03527.4371.0054.07LIGA CATOM43C7LIGA100116.95124.36325.4071.0052.29LIGA CATOM44C8LIGA100117.25123.98524.0041.0052.87LIGA CATOM45C9LIGA100118.30524.97223.4761.0055.08LIGA CATOM46C10LIGA100119.05724.44222.2431.0055.44LIGA CATOM47C11LIGA100117.65826.35423.2611.0054.47LIGA CATOM48C12LIGA100114.44124.05925.4771.0051.67LIGA CATOM49C13LIGA100113.86525.26424.7521.0051.56LIGA CATOM50C14LIGA100113.78025.25823.3531.0050.61LIGA CATOM51C15LIGA100113.26426.34722.6511.0047.35LIGA CATOM52C16LIGA100112.83727.45423.3451.0049.06LIGA CATOM53C17LIGA100112.95227.48524.7491.0052.62LIGA CATOM54C18LIGA100113.45826.39525.4611.0050.74LIGA CATOM55C19LIGA100117.03721.72423.0061.0049.16LIGA CATOM56C20LIGA100115.66221.90122.4401.0045.77LIGA CATOM57C21LIGA100114.52621.56623.1501.0044.40LIGA CATOM58C22LIGA100113.26121.64122.5681.0045.58LIGA CATOM59C23LIGA100113.11922.04821.2241.0046.87LIGA CATOM60C25LIGA100114.28622.36220.5221.0044.84LIGA CATOM61C26LIGA100115.53822.28621.1221.0046.01LIGA CATOM62C27LIGA100118.80221.96124.7581.0047.68LIGA CATOM63C28LIGA100118.36421.63926.2091.0045.69LIGA CATOM64C29LIGA100119.00220.38326.8241.0043.67LIGA CTER65LIGA1001ATOM66NGLNA 783.89915.36324.6911.0034.20MOLA NATOM67CAGLNA 784.19916.59525.3631.0032.63MOLA CATOM68CGLNA 783.01117.56025.3891.0032.39MOLA CATOM69OGLNA 782.54717.93026.4481.0032.24MOLA OATOM70CBGLNA 785.38117.26924.7551.0032.48MOLA CATOM71CGGLNA 786.60816.43024.6811.0032.41MOLA CATOM72CDGLNA 787.33216.37725.9861.0036.75MOLA CATOM73NE2GLNA 788.60516.85225.9831.0025.36MOLA NATOM74OE1GLNA 786.77015.87427.0091.0041.64MOLA OTER75GLNA 78ATOM76NGLYA 11012.57711.26932.8011.0034.98MOLA NATOM77CAGLYA 11012.16312.34331.9391.0035.12MOLA CATOM78CGLYA 11011.91513.67032.6231.0034.90MOLA CATOM79OGLYA 11011.10914.43132.1111.0034.93MOLA OATOM80NLYSA 11112.57813.98033.7491.0034.27MOLA NATOM81CALYSA 11112.30515.27534.3391.0034.21MOLA CATOM82CLYSA 11112.61716.30233.2291.0033.86MOLA CATOM83OLYSA 11111.82717.21232.9171.0034.24MOLA OATOM84CBLYSA 11113.08015.53635.6321.0033.66MOLA CATOM85CGLYSA 11112.57614.88636.9271.0033.62MOLA CATOM86CDLYSA 11113.51613.67737.4521.0031.88MOLA CATOM87CELYSA 11115.08513.97237.4921.0030.10MOLA CATOM88NZLYSA 11116.03612.91336.9461.0023.99MOLA NATOM89NTHRA 11213.73416.09232.5661.0033.63MOLA NATOM90CATHRA 11214.17017.06931.5741.0033.61MOLA CATOM91CTHRA 11213.36816.97230.2651.0033.01MOLA CATOM92OTHRA 11213.19418.02029.5871.0032.38MOLA OATOM93CBTHRA 11215.70116.97731.3201.0032.58MOLA CATOM94CG2THRA 11216.20518.15130.5171.0030.79MOLA CATOM95OG1THRA 11216.37217.09732.5791.0036.63MOLA OATOM96NPHEA 11312.92615.75329.9051.0031.75MOLA NATOM97CAPHEA 11312.03315.59028.7431.0031.89MOLA CATOM98CPHEA 11310.69416.42928.8931.0033.26MOLA CATOM99OPHEA 11310.30217.34128.0271.0033.33MOLA OATOM100CBPHEA 11311.70614.13228.5441.0030.33MOLA CATOM101CGPHEA 11311.04313.89227.2851.0029.15MOLA CATOM102CD1PHEA 11311.74813.96726.1251.0028.76MOLA CATOM103CD2PHEA 1139.68013.72627.2261.0033.49MOLA CATOM104CE1PHEA 11311.11813.75224.9011.0032.21MOLA CATOM105CE2PHEA 1139.03713.50526.0361.0035.01MOLA CATOM106CZPHEA 1139.75913.52024.8481.0031.16MOLA CATOM107NTHRA 11410.03416.14830.0201.0032.99MOLA NATOM108CATHRA 1148.83216.86230.4021.0033.13MOLA CATOM109CTHRA 1149.14318.34830.3271.0034.43MOLA CATOM110OTHRA 1148.58719.06329.4991.0037.23MOLA OATOM111CBTHRA 1148.38316.46331.8241.0032.82MOLA CATOM112CG2THRA 1147.04617.13032.1981.0032.38MOLA CATOM113OG1THRA 1148.10915.04731.8711.0025.25MOLA OATOM114NMETA 11510.11718.75331.0901.0033.64MOLA NATOM115CAMETA 11510.35620.15431.3431.0034.42MOLA CATOM116CMETA 11511.01620.97130.2261.0034.25MOLA CATOM117OMETA 11510.72022.12430.1051.0035.21MOLA OATOM118CBMETA 11511.25320.28532.5981.0034.36MOLA CATOM119CGMETA 11510.86521.39233.4511.0037.00MOLA CATOM120SDMETA 1159.36620.96134.3351.0044.81MOLA SATOM121CEMETA 1158.96322.50835.0091.0040.78MOLA CATOM122NGLUA 11611.93520.43229.4491.0033.84MOLA NATOM123CAGLUA 11612.53621.20728.3441.0034.39MOLA CATOM124CGLUA 11612.09020.68926.9671.0035.31MOLA CATOM125OGLUA 11611.84821.46226.0751.0033.87MOLA OATOM126CBGLUA 11614.07821.19728.4181.0033.80MOLA CATOM127CGGLUA 11614.63821.63329.7681.0035.08MOLA CATOM128CDGLUA 11616.16721.81429.7991.0035.17MOLA CATOM129OE1GLUA 11616.87821.42728.8661.0031.77MOLA OATOM130OE2GLUA 11616.67722.38330.7931.0040.74MOLA OATOM131NGLYA 11711.98019.36626.8521.0037.18MOLA NATOM132CAGLYA 11711.77318.68725.6221.0040.02MOLA CATOM133CGLYA 11713.01618.60724.7421.0042.51MOLA CATOM134OGLYA 11714.03419.12925.0861.0042.24MOLA OATOM135NGLUA 11812.88517.97123.5781.0045.75MOLA NATOM136CAGLUA 11813.98117.75922.6371.0048.22MOLA CATOM137CGLUA 11813.53418.36821.3231.0050.71MOLA CATOM138OGLUA 11812.34518.73921.1671.0051.56MOLA OATOM139CBGLUA 11814.31716.22922.5151.0048.24MOLA CATOM140CGGLUA 11814.97615.64823.7881.0048.01MOLA CATOM141CDGLUA 11814.89714.13323.9701.0050.88MOLA CATOM142OE1GLUA 11814.70413.39322.9241.0056.13MOLA OATOM143OE2GLUA 11815.02313.68925.1891.0043.70MOLA OATOM144NARGA 11914.47118.53520.3911.0053.34MOLA NATOM145CAARGA 11914.05918.86319.0211.0055.36MOLA CATOM146CARGA 11913.83517.56718.3101.0054.96MOLA CATOM147OARGA 11914.55116.59918.5781.0053.96MOLA OATOM148CBARGA 11915.11319.66318.2701.0056.48MOLA CATOM149CGARGA 11914.48620.51917.1121.0062.32MOLA CATOM150CDARGA 11915.02620.30215.6561.0067.53MOLA CATOM151NEARGA 11916.42519.91315.6331.0072.94MOLA NATOM152CZARGA 11917.41520.54716.2791.0078.85MOLA CATOM153NH1ARGA 11917.18221.61617.0551.0080.84MOLA NATOM154NH2ARGA 11918.66320.08916.1681.0080.52MOLA NATOM155NSERA 12012.85117.52217.4211.0056.19MOLA NATOM156CASERA 12012.64216.28216.6511.0057.60MOLA CATOM157CSERA 12013.91516.02215.7531.0059.86MOLA CATOM158OSERA 12014.36516.91915.0101.0058.09MOLA OATOM159CBSERA 12011.29016.23115.8791.0056.99MOLA CATOM160OGSERA 12010.17715.87716.6911.0053.41MOLA OATOM161NPROA 12114.50514.81315.8771.0063.76MOLA NATOM162CAPROA 12115.66014.37715.0291.0066.07MOLA CATOM163CPROA 12115.31314.54113.5341.0068.32MOLA CATOM164OPROA 12114.40815.30313.2651.0068.87MOLA OATOM165CBPROA 12115.86312.88615.4261.0066.27MOLA CATOM166CGPROA 12114.60412.46116.2531.0065.22MOLA CATOM167CDPROA 12114.06113.74016.8071.0064.10MOLA CTER168PROA 121ATOM169NGLUA 12314.72316.18511.5711.0072.44MOLA NATOM170CAGLUA 12313.57217.09211.3121.0072.75MOLA CATOM171CGLUA 12313.83218.57611.1681.0071.11MOLA CATOM172OGLUA 12314.99419.06411.0781.0070.82MOLA OATOM173CBGLUA 12312.36516.86812.2931.0073.38MOLA CATOM174CGGLUA 12311.70315.49012.1891.0076.69MOLA CATOM175CDGLUA 12310.34015.41111.4681.0081.65MOLA CATOM176OE1GLUA 1239.64114.38411.7361.0082.98MOLA OATOM177OE2GLUA 1239.97016.30410.6331.0083.84MOLA OATOM178NGLUA 12412.69519.26011.0531.0068.90MOLA NATOM179CAGLUA 12412.73820.65710.7531.0067.83MOLA CATOM180CGLUA 12411.47721.39511.2591.0065.90MOLA CATOM181OGLUA 12411.02022.31810.5871.0066.21MOLA OATOM182CBGLUA 12412.99020.8669.2281.0068.24MOLA CATOM183CGGLUA 12414.16520.0928.5461.0068.96MOLA CATOM184CDGLUA 12415.63120.5248.8451.0069.98MOLA CATOM185OE1GLUA 12415.93621.4099.6941.0069.48MOLA OATOM186OE2GLUA 12416.54219.9458.1871.0068.65MOLA OATOM187NTYRA 12510.98021.06512.4631.0063.06MOLA NATOM188CATYRA 1259.78021.73213.0441.0060.91MOLA CATOM189CTYRA 1259.79623.18513.6421.0059.58MOLA CATOM190OTYRA 1258.71523.66214.0781.0061.85MOLA OATOM191CBTYRA 1259.19620.86614.1341.0059.72MOLA CATOM192CGTYRA 1258.36419.73313.6541.0058.35MOLA CATOM193CD1TYRA 1257.02119.91413.2751.0055.38MOLA CATOM194CD2TYRA 1258.88118.45013.6601.0055.15MOLA CATOM195CE1TYRA 1256.25018.83612.8851.0053.57MOLA CATOM196CE2TYRA 1258.13317.39713.2791.0054.50MOLA CATOM197CZTYRA 1256.82317.57312.8811.0054.37MOLA CATOM198OHTYRA 1256.13416.43412.4841.0054.46MOLA OATOM199NTHRA 12610.90623.91813.6221.0056.67MOLA NATOM200CATHRA 12611.05125.14014.4721.0054.54MOLA CATOM201CTHRA 12610.53424.87815.8771.0053.52MOLA CATOM202OTHRA 1269.54124.18016.1051.0051.93MOLA OATOM203CBTHRA 12610.36226.50013.9661.0054.11MOLA CATOM204CG2THRA 12610.66626.80912.5201.0053.57MOLA CATOM205OG1THRA 1268.92626.43014.0991.0049.94MOLA OATOM206NTRPA 12711.19125.52116.8301.0052.53MOLA NATOM207CATRPA 12711.08425.04618.1921.0051.27MOLA CATOM208CTRPA 1279.68025.18418.6791.0050.31MOLA CATOM209OTRPA 1279.21824.33319.4501.0048.87MOLA OATOM210CBTRPA 12712.11625.72619.1171.0051.57MOLA CATOM211CGTRPA 12711.96927.20919.4141.0047.63MOLA CATOM212CD1TRPA 12712.73328.21518.8931.0047.25MOLA CATOM213CD2TRPA 12711.08027.83620.3711.0046.46MOLA CATOM214CE2TRPA 12711.36729.23120.3581.0045.53MOLA CATOM215CE3TRPA 12710.05927.36721.2461.0048.23MOLA CATOM216NE1TRPA 12712.37729.42619.4441.0047.30MOLA NATOM217CZ2TRPA 12710.67130.16321.1611.0044.49MOLA CATOM218CZ3TRPA 1279.35928.30622.0421.0048.23MOLA CATOM219CH2TRPA 1279.67829.69621.9811.0046.00MOLA CATOM220NGLUA 1289.01526.24318.1801.0049.83MOLA NATOM221CAGLUA 1287.62226.59518.5471.0049.75MOLA CATOM222CGLUA 1286.54025.65618.0011.0049.54MOLA CATOM223OGLUA 1285.39725.74618.4121.0050.63MOLA OATOM224CBGLUA 1287.22728.00518.0931.0050.31MOLA CATOM225CGGLUA 1288.28729.10717.9701.0054.07MOLA CATOM226CDGLUA 1288.84829.28116.5441.0058.71MOLA CATOM227OE1GLUA 12810.02929.69516.4321.0065.49MOLA OATOM228OE2GLUA 1288.14229.01915.5291.0057.68MOLA OATOM229NGLUA 1296.86524.79417.0571.0049.41MOLA NATOM230CAGLUA 1295.86423.87116.5471.0049.85MOLA CATOM231CGLUA 1296.25022.39716.8361.0048.26MOLA CATOM232OGLUA 1295.43521.46216.5741.0048.98MOLA OATOM233CBGLUA 1295.56724.14215.0351.0051.03MOLA CATOM234CGGLUA 1294.06124.01814.5951.0055.16MOLA CATOM235CDGLUA 1292.98424.51415.6351.0061.40MOLA CATOM236OE1GLUA 1293.17625.60716.2551.0063.85MOLA OATOM237OE2GLUA 1291.92423.81915.8431.0061.85MOLA OATOM238NASPA 1307.43122.20117.4391.0045.03MOLA NATOM239CAASPA 1308.01620.86517.5091.0042.70MOLA CATOM240CASPA 1307.27820.06118.5771.0041.65MOLA CATOM241OASPA 1307.21420.41519.7441.0040.14MOLA OATOM242CBASPA 1309.53620.91217.7331.0042.10MOLA CATOM243CGASPA 13010.16519.54817.7481.0039.87MOLA CATOM244OD1ASPA 13011.40019.43217.5381.0035.98MOLA OATOM245OD2ASPA 1309.50218.52417.9631.0038.25MOLA OATOM246NPROA 1316.63418.99418.1361.0041.03MOLA NATOM247CAPROA 1315.82818.18019.0381.0039.86MOLA CATOM248CPROA 1316.57117.66320.3211.0038.73MOLA CATOM249OPROA 1315.90317.27521.2981.0037.47MOLA OATOM250CBPROA 1315.38517.01118.1291.0039.27MOLA CATOM251CGPROA 1316.26917.07616.9541.0039.49MOLA CATOM252CDPROA 1316.59418.49016.7431.0040.45MOLA CATOM253NLEUA 1327.91117.64820.2861.0037.39MOLA NATOM254CALEUA 1328.76717.10521.3581.0035.97MOLA CATOM255CLEUA 1329.14618.17022.3891.0035.40MOLA CATOM256OLEUA 1329.65317.91523.4971.0034.82MOLA OATOM257CBLEUA 13210.03716.55320.7251.0035.19MOLA CATOM258CGLEUA 1329.82615.25119.9591.0034.85MOLA CATOM259CD1LEUA 13211.19614.69519.6141.0033.22MOLA CATOM260CD2LEUA 1328.98414.13420.7291.0029.91MOLA CATOM261NALAA 1338.92919.39021.9771.0035.14MOLA NATOM262CAALAA 1339.03420.52122.8511.0036.16MOLA CATOM263CALAA 1338.41620.24324.1821.0035.01MOLA CATOM264OALAA 1337.32519.74424.1951.0036.24MOLA OATOM265CBALAA 1338.32421.72122.2301.0036.29MOLA CATOM266NGLYA 1349.09720.58425.2741.0034.40MOLA NATOM267CAGLYA 1348.55620.33926.6371.0034.47MOLA CATOM268CGLYA 1347.78121.55427.1501.0033.71MOLA CATOM269OGLYA 1347.40322.47226.4231.0033.24MOLA OATOM270NILEA 1357.58521.57428.4431.0033.30MOLA NATOM271CAILEA 1356.77822.59129.0811.0032.43MOLA CATOM272CILEA 1357.33723.99328.9851.0032.04MOLA CATOM273OILEA 1356.58124.91728.7831.0032.10MOLA OATOM274CBILEA 1356.61422.22430.5361.0032.35MOLA CATOM275CG1ILEA 1355.49421.22130.6721.0032.30MOLA CATOM276CG2ILEA 1356.32623.43531.3951.0030.68MOLA CATOM277CD1ILEA 1355.44720.70932.1091.0033.17MOLA CATOM278NILEA 1368.63924.14829.1991.0032.06MOLA NATOM279CAILEA 1369.28425.47729.2651.0031.85MOLA CATOM280CILEA 1369.15526.22827.9331.0031.59MOLA CATOM281OILEA 1368.59127.33327.9491.0033.15MOLA OATOM282CBILEA 13610.72025.31529.6771.0032.27MOLA CATOM283CG1ILEA 13610.82425.23131.1921.0032.57MOLA CATOM284CG2ILEA 13611.62026.43029.1421.0034.92MOLA CATOM285CD1ILEA 13612.18324.53631.6481.0032.32MOLA CATOM286NPROA 1379.64425.71726.7981.0029.71MOLA NATOM287CAPROA 1379.38026.36325.4871.0030.18MOLA CATOM288CPROA 1377.90326.55625.1211.0029.79MOLA CATOM289OPROA 1377.52627.63124.6951.0030.55MOLA OATOM290CBPROA 13710.08925.43724.4761.0028.66MOLA CATOM291CGPROA 13710.22924.20925.1821.0028.52MOLA CATOM292CDPROA 13710.52024.57626.6151.0029.79MOLA CATOM293NARGA 1387.07825.55225.2931.0030.44MOLA NATOM294CAARGA 1385.66125.74525.0431.0032.91MOLA CATOM295CARGA 1385.06726.92825.8641.0034.03MOLA CATOM296OARGA 1384.29627.74225.3121.0034.65MOLA OATOM297CBARGA 1384.83924.47825.3871.0033.30MOLA CATOM298CGARGA 1385.14923.32124.5711.0030.29MOLA CATOM299CDARGA 1384.38722.13024.9471.0032.19MOLA CATOM300NEARGA 1384.92121.10624.0721.0035.12MOLA NATOM301CZARGA 1384.44620.79622.8701.0037.97MOLA CATOM302NH1ARGA 1383.34321.36022.4131.0041.74MOLA NATOM303NH2ARGA 1385.04919.87622.1391.0035.02MOLA NATOM304NTHRA 1395.41926.99627.1611.0034.82MOLA NATOM305CATHRA 1394.96928.08128.0831.0035.31MOLA CATOM306CTHRA 1395.45229.45127.6471.0036.60MOLA CATOM307OTHRA 1394.71930.38127.7301.0037.16MOLA OATOM308CBTHRA 1395.47427.86929.5081.0035.07MOLA CATOM309CG2THRA 1394.69928.69230.5301.0035.15MOLA CATOM310OG1THRA 1395.23626.53429.9111.0031.85MOLA OATOM311NLEUA 1406.69229.60627.2381.0037.98MOLA NATOM312CALEUA 1407.10330.94026.8151.0039.27MOLA CATOM313CLEUA 1406.39631.25225.4971.0040.57MOLA CATOM314OLEUA 1405.94532.37125.3211.0040.62MOLA OATOM315CBLEUA 1408.61131.07526.6841.0038.59MOLA CATOM316CGLEUA 1409.34330.83327.9811.0039.51MOLA CATOM317CD1LEUA 14010.83630.71627.6421.0042.85MOLA CATOM318CD2LEUA 1409.07631.92128.9421.0036.00MOLA CATOM319NHISA 1416.26430.27824.5861.0041.30MOLA NATOM320CAHISA 1415.44730.53523.4161.0042.47MOLA CATOM321CHISA 1413.98430.99323.8131.0041.75MOLA CATOM322OHISA 1413.46331.95523.2521.0040.89MOLA OATOM323CBHISA 1415.47329.33622.4421.0043.81MOLA CATOM324CGHISA 1414.68929.56221.1641.0048.13MOLA CATOM325CD2HISA 1413.35129.56820.9241.0052.64MOLA CATOM326ND1HISA 1415.28729.83819.9501.0052.95MOLA NATOM327CE1HISA 1414.36029.99619.0201.0053.75MOLA CATOM328NE2HISA 1413.17329.85319.5901.0053.84MOLA NTER329HISA 141ATOM330NPHEA 1443.85834.78924.9241.0043.68MOLA NATOM331CAPHEA 1443.88835.73123.8371.0043.81MOLA CATOM332CPHEA 1442.59835.73923.0611.0043.62MOLA CATOM333OPHEA 1442.00836.76122.8781.0041.34MOLA OATOM334CBPHEA 1445.07435.46822.9321.0044.09MOLA CATOM335CGPHEA 1446.31236.00523.5031.0044.80MOLA CATOM336CD1PHEA 1446.47937.35423.5901.0042.15MOLA CATOM337CD2PHEA 1447.25935.16624.0741.0045.52MOLA CATOM338CE1PHEA 1447.60037.84524.1841.0044.09MOLA CATOM339CE2PHEA 1448.38435.66324.6691.0043.29MOLA CATOM340CZPHEA 1448.56636.97724.7261.0041.30MOLA CTER341PHEA 144ATOM342NVALA 15813.53336.39832.1341.0037.72MOLA NATOM343CAVALA 15813.81735.08032.6851.0037.75MOLA CATOM344CVALA 15815.11534.98333.5031.0037.86MOLA CATOM345OVALA 15815.98535.84933.4151.0038.53MOLA OATOM346CBVALA 15813.89734.04031.5671.0037.81MOLA CATOM347CG1VALA 15812.47233.79330.9551.0038.92MOLA CATOM348CG2VALA 15814.93034.44530.5291.0034.87MOLA CATOM349NSERA 15915.19733.89534.2831.0038.76MOLA NATOM350CASERA 15916.31733.46735.1991.0038.03MOLA CATOM351CSERA 15916.52331.98334.9891.0038.25MOLA CATOM352OSERA 15915.58331.24134.7071.0038.15MOLA OATOM353CBSERA 15915.94433.59236.7061.0038.14MOLA CATOM354OGSERA 15915.79734.93737.1341.0039.02MOLA OATOM355NLEUA 16017.73031.51535.1561.0038.91MOLA NATOM356CALEUA 16017.92930.09335.2101.0039.60MOLA CATOM357CLEUA 16019.08229.87936.1431.0040.39MOLA CATOM358OLEUA 16020.19530.35035.8931.0040.81MOLA OATOM359CBLEUA 16018.25129.55833.8281.0039.84MOLA CATOM360CGLEUA 16018.60328.06533.6891.0038.77MOLA CATOM361CD1LEUA 16017.36427.12533.8661.0038.56MOLA CATOM362CD2LEUA 16019.31327.85532.2951.0038.16MOLA CATOM363NLEUA 16118.82529.24737.2581.0040.58MOLA NATOM364CALEUA 16119.89429.01838.1261.0041.43MOLA CATOM365CLEUA 16119.87327.58538.5291.0042.33MOLA CATOM366OLEUA 16118.85226.90038.4121.0042.87MOLA OATOM367CBLEUA 16119.79629.93439.3141.0041.27MOLA CATOM368CGLEUA 16118.74429.52340.3421.0042.78MOLA CATOM369CD1LEUA 16119.09528.33141.1721.0040.63MOLA CATOM370CD2LEUA 16118.60230.64941.2951.0046.49MOLA CTER371LEUA 161ATOM372NLEUA 17123.12530.46635.5281.0043.00MOLA NATOM373CALEUA 17123.52529.80634.2851.0043.57MOLA CATOM374CLEUA 17123.55530.74033.1781.0044.57MOLA CATOM375OLEUA 17124.09130.47732.1231.0043.77MOLA OATOM376CBLEUA 17122.54228.69733.9821.0042.70MOLA CATOM377CGLEUA 17122.80827.58835.0071.0043.69MOLA CATOM378CD1LEUA 17121.93326.34134.8501.0044.17MOLA CATOM379CD2LEUA 17124.31927.17234.9801.0043.32MOLA CATOM380NLEUA 17222.92431.84633.4631.0046.40MOLA NATOM381CALEUA 17222.49132.75032.4921.0047.97MOLA CATOM382CLEUA 17223.45833.91832.5661.0049.84MOLA CATOM383OLEUA 17223.27134.95031.9021.0049.25MOLA OATOM384CBLEUA 17221.07333.13332.8751.0047.58MOLA CATOM385CGLEUA 17220.14433.09331.7151.0048.18MOLA CATOM386CD1LEUA 17220.06331.65831.1511.0046.63MOLA CATOM387CD2LEUA 17218.77033.67332.1741.0050.42MOLA CTER388LEUA 172ATOM389NVALA 20413.42139.47527.7541.0058.11MOLA NATOM390CAVALA 20413.19138.68326.5691.0059.41MOLA CATOM391CVALA 20412.11139.29625.6951.0060.36MOLA CATOM392OVALA 20410.91539.30026.0411.0058.90MOLA OATOM393CBVALA 20412.87037.29426.9591.0059.52MOLA CATOM394CG1VALA 20412.27236.55125.8031.0059.74MOLA CATOM395CG2VALA 20414.19436.63427.4321.0061.34MOLA CTER396VALA 204ATOM397NASNA 20611.09439.28322.3281.0062.45MOLA NATOM398CAASNA 20610.10838.75421.3921.0063.18MOLA CATOM399CASNA 20610.13837.27021.5041.0065.10MOLA CATOM400OASNA 20611.04736.74922.1301.0065.19MOLA OATOM401CBASNA 20610.51439.10519.9901.0062.37MOLA CATOM402CGASNA 20611.90938.60819.6771.0060.69MOLA CATOM403ND2ASNA 20612.93939.41220.0351.0060.07MOLA NATOM404OD1ASNA 20612.07637.48619.1811.0053.06MOLA OATOM405NLYSA 2079.19436.57420.8691.0067.47MOLA NATOM406CALYSA 2079.12135.09221.0531.0069.23MOLA CATOM407CLYSA 20710.40434.33720.7501.0069.55MOLA CATOM408OLYSA 20710.63133.31621.3651.0069.86MOLA OATOM409CBLYSA 2077.88134.37720.3961.0069.94MOLA CATOM410CGLYSA 2077.24434.97019.0961.0071.68MOLA CATOM411CDLYSA 2075.68034.93119.1201.0073.27MOLA CATOM412CELYSA 2075.08836.36519.2951.0073.70MOLA CATOM413NZLYSA 2073.59536.37819.4571.0073.78MOLA NATOM414NASPA 20811.24634.80619.8361.0070.46MOLA NATOM415CAASPA 20812.28033.89219.3251.0070.97MOLA CATOM416CASPA 20813.66734.11319.9191.0070.14MOLA CATOM417OASPA 20814.37033.12720.0731.0070.30MOLA OATOM418CBASPA 20812.21333.77717.7861.0071.87MOLA CATOM419CGASPA 20810.84133.15017.2881.0074.48MOLA CATOM420OD1ASPA 20810.22233.68616.3351.0079.14MOLA OATOM421OD2ASPA 20810.28332.14517.8051.0076.39MOLA OATOM422NGLUA 20913.99635.36920.3051.0069.49MOLA NATOM423CAGLUA 20915.14435.79021.2321.0068.43MOLA CATOM424CGLUA 20915.36034.83622.4591.0067.69MOLA CATOM425OGLUA 20916.49834.64722.9491.0067.68MOLA OATOM426CBGLUA 20914.89137.24221.7381.0068.37MOLA CATOM427CGGLUA 20916.06138.02522.3271.0067.99MOLA CATOM428CDGLUA 20915.66839.44522.7801.0069.06MOLA CATOM429OE1GLUA 20915.01539.60323.8301.0070.62MOLA OATOM430OE2GLUA 20916.01140.43622.1061.0069.30MOLA OATOM431NVALA 21014.23134.29022.9481.0065.81MOLA NATOM432CAVALA 21014.11533.17223.9191.0063.84MOLA CATOM433CVALA 21015.03031.95023.6851.0062.34MOLA CATOM434OVALA 21015.55731.33624.5981.0062.19MOLA OATOM435CBVALA 21012.65432.58723.8511.0063.58MOLA CATOM436CG1VALA 21012.52631.25524.6301.0063.47MOLA CATOM437CG2VALA 21011.60133.58924.3151.0062.89MOLA CATOM438NTYRA 21115.14031.53122.4511.0060.58MOLA NATOM439CATYRA 21115.85030.31522.1871.0059.58MOLA CATOM440CTYRA 21117.32630.57722.4261.0060.39MOLA CATOM441OTYRA 21118.00929.81123.1261.0059.66MOLA OATOM442CBTYRA 21115.58029.88920.7431.0059.01MOLA CATOM443CGTYRA 21116.39028.72720.2461.0053.98MOLA CATOM444CD1TYRA 21117.70128.90419.8171.0048.78MOLA CATOM445CD2TYRA 21115.82327.44420.1511.0049.61MOLA CATOM446CE1TYRA 21118.44227.82319.3271.0049.86MOLA CATOM447CE2TYRA 21116.56926.34119.6351.0046.65MOLA CATOM448CZTYRA 21117.86126.54819.2531.0048.47MOLA CATOM449OHTYRA 21118.60825.48118.8151.0053.11MOLA OATOM450NGLNA 21217.82931.67021.8451.0061.45MOLA NATOM451CAGLNA 21219.28331.85721.8291.0062.24MOLA CATOM452CGLNA 21219.80732.11723.2401.0061.47MOLA CATOM453OGLNA 21220.95231.81023.5161.0061.51MOLA OATOM454CBGLNA 21219.80532.90420.8171.0063.06MOLA CATOM455CGGLNA 21219.26534.30720.9111.0064.92MOLA CATOM456CDGLNA 21218.31034.53819.8061.0067.37MOLA CATOM457NE2GLNA 21217.15333.88419.8671.0062.51MOLA NATOM458OE1GLNA 21218.63135.25118.8661.0070.85MOLA OATOM459NILEA 21318.95432.63524.1261.0060.48MOLA NATOM460CAILEA 21319.31232.85725.5501.0059.26MOLA CATOM461CILEA 21319.37931.57226.3851.0056.83MOLA CATOM462OILEA 21320.24531.44527.2441.0055.35MOLA OATOM463CBILEA 21318.31533.88726.2111.0059.85MOLA CATOM464CG1ILEA 21318.52535.30425.6261.0062.11MOLA CATOM465CG2ILEA 21318.45333.91327.7621.0059.48MOLA CATOM466CD1ILEA 21319.97635.89525.8181.0064.64MOLA CATOM467NLEUA 21418.41330.68326.1731.0054.38MOLA NATOM468CALEUA 21418.41229.42226.8371.0053.15MOLA CATOM469CLEUA 21419.31028.45526.1561.0052.18MOLA CATOM470OLEUA 21419.62927.44126.7291.0051.74MOLA OATOM471CBLEUA 21417.03928.83226.8501.0052.75MOLA CATOM472CGLEUA 21416.05129.67127.6421.0054.02MOLA CATOM473CD1LEUA 21414.62228.97627.6901.0055.45MOLA CATOM474CD2LEUA 21416.55030.00329.0521.0052.10MOLA CATOM475NGLUA 21519.69728.72324.9201.0051.15MOLA NATOM476CAGLUA 21520.70827.86524.3261.0050.79MOLA CATOM477CGLUA 21522.01428.02125.1301.0049.92MOLA CATOM478OGLUA 21522.66127.02725.4911.0048.28MOLA OATOM479CBGLUA 21520.92028.21122.8661.0050.80MOLA CATOM480CGGLUA 21521.89827.29022.1401.0051.69MOLA CATOM481CDGLUA 21522.08227.68820.6501.0053.44MOLA CATOM482OE1GLUA 21521.85026.83819.7441.0053.04MOLA OATOM483OE2GLUA 21522.42928.87120.3791.0051.87MOLA OATOM484NLYSA 21622.35329.28925.4021.0049.70MOLA NATOM485CALYSA 21623.63229.71526.0221.0050.06MOLA CATOM486CLYSA 21623.75129.13627.4261.0050.23MOLA CATOM487OLYSA 21624.66628.35127.7011.0050.11MOLA OATOM488CBLYSA 21623.76431.25726.0791.0049.82MOLA CATOM489CGLYSA 21623.96731.96424.7331.0050.39MOLA CATOM490CDLYSA 21624.38633.43124.9041.0049.84MOLA CATOM491CELYSA 21623.93434.28723.7241.0048.98MOLA CATOM492NZLYSA 21622.58934.92024.0201.0051.28MOLA NATOM493NGLYA 21722.75529.46528.2631.0050.29MOLA NATOM494CAGLYA 21722.60328.91229.5901.0050.04MOLA CATOM495CGLYA 21722.75827.40129.6591.0050.20MOLA CATOM496OGLYA 21723.39126.89230.5851.0049.80MOLA OATOM497NALAA 21822.19826.66728.7061.0050.83MOLA NATOM498CAALAA 21822.45225.19628.6751.0052.27MOLA CATOM499CALAA 21823.95924.84628.4481.0052.16MOLA CATOM500OALAA 21824.43923.80228.9231.0053.18MOLA OATOM501CBALAA 21821.54324.45127.6361.0052.11MOLA CATOM502NALAA 21924.67525.71727.7391.0051.34MOLA NATOM503CAALAA 21926.09825.54327.5091.0051.20MOLA CATOM504CALAA 21926.82625.72228.7981.0052.01MOLA CATOM505OALAA 21927.56024.83329.2121.0053.63MOLA OATOM506CBALAA 21926.63126.56226.4681.0050.98MOLA CATOM507NLYSA 22026.62526.86829.4551.0052.30MOLA NATOM508CALYSA 22027.23127.13230.7931.0052.38MOLA CATOM509CLYSA 22027.02926.00131.8271.0050.99MOLA CATOM510OLYSA 22027.83825.83332.7271.0049.66MOLA OATOM511CBLYSA 22026.71028.47231.3991.0053.01MOLA CATOM512CGLYSA 22027.75029.59231.5701.0056.70MOLA CATOM513CDLYSA 22027.88630.50030.2611.0061.35MOLA CATOM514CELYSA 22029.37230.90729.8931.0061.49MOLA CATOM515NZLYSA 22030.23131.37131.0481.0060.27MOLA NATOM516NARGA 22125.92425.27431.7131.0050.87MOLA NATOM517CAARGA 22125.60324.18132.6461.0051.89MOLA CATOM518CARGA 22126.44222.99432.2881.0053.36MOLA CATOM519OARGA 22126.87122.23133.1441.0054.73MOLA OATOM520CBARGA 22124.14723.76032.5231.0051.26MOLA CATOM521CGARGA 22123.80222.48833.2001.0048.99MOLA CATOM522CDARGA 22122.29422.43333.5071.0049.19MOLA CATOM523NEARGA 22121.49422.54332.2831.0046.17MOLA NATOM524CZARGA 22120.23622.96432.1801.0045.72MOLA CATOM525NH1ARGA 22119.54723.43233.2331.0047.76MOLA NATOM526NH2ARGA 22119.68022.93330.9711.0045.26MOLA NATOM527NTHRA 22226.64222.83930.9881.0053.77MOLA NATOM528CATHRA 22227.53021.84330.4811.0053.52MOLA CATOM529CTHRA 22228.93122.09731.0241.0052.48MOLA CATOM530OTHRA 22229.55821.22331.6691.0051.05MOLA OATOM531CBTHRA 22227.47821.93428.9661.0054.20MOLA CATOM532CG2THRA 22228.32120.73028.2871.0054.18MOLA CATOM533OG1THRA 22226.08621.84428.5601.0053.25MOLA OTER534THRA 222ATOM535NSERA 23224.40117.57236.4021.0048.63MOLA NATOM536CASERA 23223.04418.09136.4101.0047.89MOLA CATOM537CSERA 23222.03117.07936.8601.0046.26MOLA CATOM538OSERA 23220.88817.48937.2281.0046.87MOLA OATOM539CBSERA 23222.69218.59435.0241.0048.39MOLA CATOM540OGSERA 23222.89717.53334.1221.0049.46MOLA OTER541SERA 232ATOM542NSERA 23717.56622.36838.8061.0037.09MOLA NATOM543CASERA 23717.64923.44637.8231.0037.18MOLA CATOM544CSERA 23716.36224.18838.0631.0036.58MOLA CATOM545OSERA 23715.34023.57138.2151.0035.86MOLA OATOM546CBSERA 23717.81822.88136.3921.0037.48MOLA CATOM547OGSERA 23717.10623.61035.4151.0040.71MOLA OATOM548NVALA 23816.45525.51138.2661.0037.34MOLA NATOM549CAVALA 23815.29326.37138.5301.0036.03MOLA CATOM550CVALA 23815.14627.40637.4561.0036.03MOLA CATOM551OVALA 23815.91128.32037.4031.0037.21MOLA OATOM552CBVALA 23815.44227.06439.8151.0035.17MOLA CATOM553CG1VALA 23814.13927.72440.1981.0033.17MOLA CATOM554CG2VALA 23815.78826.02640.8621.0038.36MOLA CATOM555NPHEA 23914.17727.23436.5821.0035.86MOLA NATOM556CAPHEA 23913.86228.24735.6291.0036.49MOLA CATOM557CPHEA 23912.70029.06236.1451.0035.76MOLA CATOM558OPHEA 23911.68728.47936.5251.0034.96MOLA OATOM559CBPHEA 23913.53427.58434.2641.0037.55MOLA CATOM560CGPHEA 23912.95928.53233.2441.0037.46MOLA CATOM561CD1PHEA 23911.61228.73433.1691.0040.61MOLA CATOM562CD2PHEA 23913.76629.21832.3761.0038.85MOLA CATOM563CE1PHEA 23911.07229.62532.2441.0041.92MOLA CATOM564CE2PHEA 23913.23630.13231.4351.0038.14MOLA CATOM565CZPHEA 23911.88930.31631.3631.0040.32MOLA CATOM566NSERA 24012.82130.39736.1121.0036.11MOLA NATOM567CASERA 24011.71031.32036.4661.0035.79MOLA CATOM568CSERA 24011.41532.19635.3161.0034.95MOLA CATOM569OSERA 24012.33632.71534.7031.0031.71MOLA OATOM570CBSERA 24012.07132.25637.6091.0036.48MOLA CATOM571OGSERA 24012.02931.59638.8681.0036.86MOLA OTER572SERA 240ATOM573NLEUA 2639.75526.71037.3661.0034.56MOLA NATOM574CALEUA 2639.73225.48636.5751.0034.38MOLA CATOM575CLEUA 26311.04924.77236.8721.0035.65MOLA CATOM576OLEUA 26312.11925.07736.3151.0035.56MOLA OATOM577CBLEUA 2639.63525.83835.0911.0034.84MOLA CATOM578CGLEUA 2638.41526.63134.6211.0030.32MOLA CATOM579CD1LEUA 2638.54026.76833.1681.0034.83MOLA CATOM580CD2LEUA 2637.22225.88334.8841.0022.29MOLA CATOM581NVALA 26410.93223.83337.7861.0036.68MOLA NATOM582CAVALA 26412.02823.23338.4371.0037.21MOLA CATOM583CVALA 26412.23421.84637.9141.0037.93MOLA CATOM584OVALA 26411.33221.00438.0001.0039.99MOLA OATOM585CBVALA 26411.67823.07839.9081.0037.98MOLA CATOM586CG1VALA 26412.92122.51940.7221.0039.03MOLA CATOM587CG2VALA 26411.18324.45440.4611.0037.85MOLA CATOM588NASPA 26513.43821.59137.4491.0037.42MOLA NATOM589CAASPA 26513.88920.28337.0951.0037.48MOLA CATOM590CASPA 26514.73719.69738.2661.0037.98MOLA CATOM591OASPA 26515.91919.92738.3541.0038.53MOLA OATOM592CBASPA 26514.70420.39035.7811.0036.26MOLA CATOM593CGASPA 26514.99819.03835.1931.0034.99MOLA CATOM594OD1ASPA 26515.07818.08636.0041.0033.15MOLA OATOM595OD2ASPA 26515.16118.82333.9731.0028.45MOLA OEND Table 9. Novel Eg5 ligand binding site/compound 6 X-ray coordinates. 10 Angstrom shell of the binding pocket. Table 9 discloses residues 110-141, 158-162, 209-222 and 237-240 of SEQ ID NO: 1, respectively, in order of appearance. TABLE 9Novel Eg5 ligand binding site/compound 6 X-ray coordinates. 10 Angstromshell of the binding pocket. Table 9 discloses residues 110-141, 158-162, 209-222 and 237-240 of SEQ ID NO:1, respectively, in order of appearance.ATOM1C1LIGA100115.92623.49926.9071.0040.93LIGA CATOM2C2LIGA100114.84123.68827.7611.0047.94LIGA CATOM3C3LIGA100115.03024.42328.9221.0043.73LIGA CATOM4C4LIGA100116.27824.99629.2021.0041.47LIGA CATOM5C6LIGA100117.36324.78728.3651.0043.01LIGA CATOM6C7LIGA100117.16224.03927.2091.0036.47LIGA CATOM7N8LIGA100117.97923.70926.2141.0042.80LIGA NATOM8C9LIGA100117.31322.95625.3331.0039.22LIGA CATOM9C10LIGA100117.90122.37724.1031.0046.28LIGA CATOM10C11LIGA100119.05423.24323.5681.0051.39LIGA CATOM11C12LIGA100118.58724.66423.3001.0047.52LIGA CATOM12C13LIGA100119.67822.62622.3271.0051.00LIGA CATOM13N14LIGA100118.43221.03324.3911.0044.36LIGA NATOM14C15LIGA100117.94519.98223.7281.0047.64LIGA CATOM15C16LIGA100118.54618.63423.9551.0057.22LIGA CATOM16O17LIGA100116.93620.08523.0541.0053.79LIGA OATOM17C18LIGA100119.38420.97125.5131.0052.79LIGA CATOM18C19LIGA100118.80819.92426.4681.0056.29LIGA CATOM19C20LIGA100118.67720.32227.9201.0061.47LIGA CATOM20N21LIGA100117.88919.28228.5751.0046.03LIGA NATOM21N22LIGA100116.04722.86125.7531.0046.02LIGA NATOM22C23LIGA100114.99322.06025.1431.0048.14LIGA CATOM23C24LIGA100114.18222.69524.0821.0052.72LIGA CATOM24C25LIGA100119.85218.31623.5811.0069.39LIGA CATOM25C26LIGA100120.35417.03923.8521.0067.24LIGA CATOM26C27LIGA100119.55816.09224.5071.0062.12LIGA CATOM27C28LIGA100120.06114.71024.8241.0063.39LIGA CATOM28C29LIGA100118.28616.41924.9001.0057.20LIGA CATOM29C30LIGA100117.78217.68524.6271.0064.39LIGA CATOM30C31LIGA100114.24424.07823.8621.0044.02LIGA CATOM31C32LIGA100113.47124.62222.8631.0042.46LIGA CATOM32C33LIGA100112.64323.76322.1191.0051.06LIGA CATOM33C34LIGA100112.61022.37522.3371.0053.32LIGA CATOM34C35LIGA100113.37921.82123.3441.0049.53LIGA CATOM35BRLIGA100116.53025.92330.8311.0062.66LIGA BRTER36LIGA1001ATOM37MGMGA300117.36815.44234.6211.0028.23COFAMGTER38MGA3001ATOM39N1ADPA40018.6199.78526.7941.0033.38COFA NATOM40C2ADPA40019.6909.53526.0121.0038.57COFA CATOM41N3ADPA400110.9389.58326.4461.0036.28COFA NATOM42C1*ADPA400113.6449.75828.0421.0038.01COFA CATOM43C4ADPA400111.1839.87127.7361.0029.60COFA CATOM44C5ADPA400110.07910.18228.6391.0025.18COFA CATOM45C6ADPA40018.72410.09428.0791.0035.82COFA CATOM46N6ADPA40017.63310.32128.8041.0030.85COFA NATOM47N7ADPA400110.61010.41229.8421.0032.37COFA NATOM48C8ADPA400111.94110.32829.7221.0033.11COFA CATOM49N9ADPA400112.27410.02628.4641.0032.61COFA NATOM50C2*ADPA400114.47810.97227.8351.0035.97COFA CATOM51O2*ADPA400114.38411.38026.4801.0039.00COFA OATOM52C3*ADPA400115.84310.43028.1671.0038.32COFA CATOM53O3*ADPA400116.3129.69127.0321.0046.40COFA OATOM54O1AADPA400114.26313.44331.5811.0044.12COFA OATOM55O1BADPA400114.48412.19535.4201.0031.01COFA OATOM56C4*ADPA400115.5979.46229.3051.0034.41COFA CATOM57O4*ADPA400114.2569.01729.1371.0033.39COFA OATOM58O2AADPA400116.83012.80231.2831.0048.40COFA OATOM59O2BADPA400115.74814.17234.4211.0029.52COFA OATOM60C5*ADPA400115.78910.07230.6991.0038.60COFA CATOM61O5*ADPA400114.87411.15730.9581.0029.78COFA OATOM62O3AADPA400115.42211.92233.1721.0029.66COFA OATOM63O3BADPA400116.97312.08534.9911.0028.69COFA OATOM64PAADPA400115.42612.49031.6541.0032.92COFA PATOM65PBADPA400115.63412.68334.5881.0029.09COFA PTER66ADPA4001ATOM67NGLNA 783.97415.27225.2441.0028.66MOLA NATOM68CAGLNA 784.32316.53925.8151.0031.19MOLA CATOM69CGLNA 783.20317.58025.7711.0032.20MOLA CATOM70OGLNA 783.02618.33526.7311.0030.06MOLA OATOM71CBGLNA 785.54917.10225.1231.0027.84MOLA CATOM72CGGLNA 786.84516.30325.2331.0032.63MOLA CATOM73CDGLNA 787.53216.45126.5721.0028.59MOLA CATOM74NE2GLNA 788.82416.85326.5781.0031.70MOLA NATOM75OE1GLNA 786.94616.08627.5711.0027.98MOLA OTER76GLNA 78ATOM77NGLYA 11012.24610.97533.8071.0030.23MOLA NATOM78CAGLYA 11011.70811.94532.9141.0029.79MOLA CATOM79CGLYA 11011.45913.32433.4701.0029.32MOLA CATOM80OGLYA 11010.66114.04232.8891.0030.22MOLA OATOM81NLYSA 11112.20713.74534.4911.0027.17MOLA NATOM82CALYSA 11112.06115.08535.0311.0028.75MOLA CATOM83CLYSA 11112.49216.16434.0301.0032.48MOLA CATOM84OLYSA 11111.79517.18033.8231.0028.94MOLA OATOM85CBLYSA 11112.86015.23236.3031.0028.01MOLA CATOM86CGLYSA 11112.40014.31937.4711.0026.11MOLA CATOM87CDLYSA 11113.22214.68838.7161.0028.12MOLA CATOM88CELYSA 11114.72714.23238.5441.0029.52MOLA CATOM89NZLYSA 11114.81112.76338.3911.0030.72MOLA NATOM90NTHRA 11213.66715.96033.4461.0031.14MOLA NATOM91CATHRA 11214.18516.87232.4311.0029.78MOLA CATOM92CTHRA 11213.43716.79331.1241.0029.05MOLA CATOM93OTHRA 11213.15617.82830.4801.0030.90MOLA OATOM94CBTHRA 11215.66116.63532.1951.0032.31MOLA CATOM95CG2THRA 11216.21917.71431.2431.0029.98MOLA CATOM96OG1THRA 11216.34816.84633.4221.0034.66MOLA OATOM97NPHEA 11313.07615.58430.7251.0027.11MOLA NATOM98CAPHEA 11312.26215.44229.5401.0027.93MOLA CATOM99CPHEA 11310.97116.26529.7051.0028.01MOLA CATOM100OPHEA 11310.47516.87728.7521.0027.07MOLA OATOM101CBPHEA 11311.97713.99029.2591.0028.46MOLA CATOM102CGPHEA 11311.15713.75728.0131.0026.58MOLA CATOM103CD1PHEA 11311.73913.82526.7631.0030.97MOLA CATOM104CD2PHEA 1139.79813.48228.1131.0026.60MOLA CATOM105CE1PHEA 11310.98313.66325.6131.0032.56MOLA CATOM106CE2PHEA 1139.01913.32126.9541.0027.77MOLA CATOM107CZPHEA 1139.60713.37525.7141.0028.95MOLA CATOM108NTHRA 11410.42116.26230.9141.0028.03MOLA NATOM109CATHRA 1149.15016.89431.1531.0026.78MOLA CATOM110CTHRA 1149.33018.42031.1961.0030.01MOLA CATOM111OTHRA 1148.58219.17030.5581.0028.45MOLA OATOM112CBTHRA 1148.54416.38032.4641.0029.85MOLA CATOM113CG2THRA 1147.27617.19732.8381.0028.03MOLA CATOM114OG1THRA 1148.09115.01632.3401.0025.56MOLA OATOM115NMETA 11510.33118.88031.9431.0029.12MOLA NATOM116CAMETA 11510.52620.31232.1571.0031.81MOLA CATOM117CMETA 11511.11721.03530.9391.0030.99MOLA CATOM118OMETA 11510.74422.16330.6431.0031.58MOLA OATOM119CBMETA 11511.38020.54333.4181.0031.97MOLA CATOM120CGMETA 11510.88521.65434.3161.0041.53MOLA CATOM121SDMETA 1159.14521.64134.7841.0041.38MOLA SATOM122CEMETA 1159.10721.10436.4581.0046.50MOLA CATOM123NGLUA 11612.00420.37930.2231.0030.32MOLA NATOM124CAGLUA 11612.70721.00529.1341.0034.27MOLA CATOM125CGLUA 11612.36520.37427.8001.0034.76MOLA CATOM126OGLUA 11612.07921.06226.8361.0038.25MOLA OATOM127CBGLUA 11614.21320.90829.3801.0036.60MOLA CATOM128CGGLUA 11614.66421.40330.7451.0037.25MOLA CATOM129CDGLUA 11616.18721.52330.8571.0041.48MOLA CATOM130OE1GLUA 11616.66521.81531.9621.0048.91MOLA OATOM131OE2GLUA 11616.89721.32429.8531.0039.60MOLA OATOM132NGLYA 11712.39919.05227.7661.0037.01MOLA NATOM133CAGLYA 11712.10618.27526.5691.0037.82MOLA CATOM134CGLYA 11713.28618.25525.6311.0036.85MOLA CATOM135OGLYA 11714.37418.66925.9831.0036.95MOLA OATOM136NGLUA 11813.03117.85524.4011.0039.42MOLA NATOM137CAGLUA 11814.08917.63223.4331.0044.34MOLA CATOM138CGLUA 11813.66118.05422.0341.0044.63MOLA CATOM139OGLUA 11812.49218.34221.7531.0045.11MOLA OATOM140CBGLUA 11814.51816.12623.4111.0042.03MOLA CATOM141CGGLUA 11814.94915.58524.7651.0049.98MOLA CATOM142CDGLUA 11815.14014.08224.8161.0045.86MOLA CATOM143OE1GLUA 11815.09013.42423.7471.0035.68MOLA OATOM144OE2GLUA 11815.31113.55725.9521.0042.63MOLA OATOM145NARGA 11914.64718.03821.1551.0049.70MOLA NATOM146CAARGA 11914.50118.41219.7591.0053.41MOLA CATOM147CARGA 11914.18517.15318.9441.0055.16MOLA CATOM148OARGA 11914.86616.13419.0731.0057.29MOLA OATOM149CBARGA 11915.83019.01419.3051.0054.19MOLA CATOM150CGARGA 11915.71820.25818.4871.0063.53MOLA CATOM151CDARGA 11915.22321.48719.2481.0071.72MOLA CATOM152NEARGA 11915.34522.68218.4031.0072.55MOLA NATOM153CZARGA 11914.56722.95517.3571.0072.68MOLA CATOM154NH1ARGA 11914.77424.05716.6431.0079.51MOLA NATOM155NH2ARGA 11913.58522.12917.0111.0070.71MOLA NATOM156NSERA 12013.15217.19618.1151.0057.38MOLA NATOM157CASERA 12012.84016.03817.2911.0061.26MOLA CATOM158CSERA 12014.06415.74516.3971.0065.44MOLA CATOM159OSERA 12014.80816.66116.0611.0065.08MOLA OATOM160CBSERA 12011.54516.24316.5121.0060.04MOLA CATOM161OGSERA 12010.42915.78817.2721.0057.87MOLA OATOM162NPROA 12114.21314.49615.9551.0070.20MOLA NATOM163CAPROA 12115.51613.92615.6281.0072.33MOLA CATOM164CPROA 12116.57514.97115.2781.0076.15MOLA CATOM165OPROA 12117.45815.27116.0961.0076.30MOLA OATOM166CBPROA 12115.20713.02514.4191.0073.20MOLA CATOM167CGPROA 12113.76412.63314.5651.0070.37MOLA CATOM168CDPROA 12113.11513.61815.5071.0072.01MOLA CATOM169NASNA 12216.47215.51214.0661.0078.78MOLA NATOM170CAASNA 12217.36016.56213.5901.0078.82MOLA CATOM171CASNA 12216.53317.45212.6631.0080.53MOLA CATOM172OASNA 12215.32517.21512.4811.0079.52MOLA OATOM173CBASNA 12218.58315.96212.8721.0080.31MOLA CATOM174CGASNA 12219.83816.83612.9921.0081.72MOLA CATOM175ND2ASNA 12220.11117.32214.2031.0088.02MOLA NATOM176OD1ASNA 12220.55717.05612.0061.0093.43MOLA OATOM177NGLUA 12317.18018.45212.0611.0080.57MOLA NATOM178CAGLUA 12316.47119.56011.4111.0079.28MOLA CATOM179CGLUA 12315.11519.16210.8201.0079.58MOLA CATOM180OGLUA 12314.93219.0569.5981.0081.43MOLA OATOM181CBGLUA 12317.36120.27510.3831.0080.71MOLA CATOM182CGGLUA 12318.50921.07611.0051.0084.17MOLA CATOM183CDGLUA 12318.04822.20811.9201.0090.08MOLA CATOM184OE1GLUA 12316.81822.42012.0821.0096.04MOLA OATOM185OE2GLUA 12318.92822.89712.4811.0088.70MOLA OATOM186NGLUA 12414.18818.93011.7481.0076.38MOLA NATOM187CAGLUA 12412.76918.74211.4931.0073.29MOLA CATOM188CGLUA 12412.10919.57812.5961.0071.07MOLA CATOM189OGLUA 12412.60719.60313.7411.0074.45MOLA OATOM190CBGLUA 12412.40917.26111.6431.0073.51MOLA CATOM191CGGLUA 12410.93816.91011.4511.0075.73MOLA CATOM192CDGLUA 12410.62615.47411.8801.0075.92MOLA CATOM193OE1GLUA 1249.52514.97511.5301.0077.68MOLA OATOM194OE2GLUA 12411.48414.84012.5671.0066.18MOLA OATOM195NTYRA 12511.02620.27712.2711.0064.54MOLA NATOM196CATYRA 12510.31621.12113.2551.0060.89MOLA CATOM197CTYRA 12511.11722.32513.7591.0057.20MOLA CATOM198OTYRA 12512.28522.22314.1051.0056.80MOLA OATOM199CBTYRA 1259.87120.31014.4781.0057.62MOLA CATOM200CGTYRA 1258.82219.25214.2191.0054.91MOLA CATOM201CD1TYRA 1259.14017.90014.2921.0043.17MOLA CATOM202CD2TYRA 1257.51119.60013.9541.0049.88MOLA CATOM203CE1TYRA 1258.18516.92014.0611.0048.43MOLA CATOM204CE2TYRA 1256.54318.63513.7561.0052.60MOLA CATOM205CZTYRA 1256.89017.29313.8101.0052.43MOLA CATOM206OHTYRA 1255.93316.32813.6201.0055.44MOLA OATOM207NTHRA 12610.47823.47713.8131.0053.95MOLA NATOM208CATHRA 12611.07424.59614.5131.0053.69MOLA CATOM209CTHRA 12610.83624.37516.0411.0052.14MOLA CATOM210OTHRA 1269.94223.59616.4441.0044.71MOLA OATOM211CBTHRA 12610.48825.94213.9971.0053.49MOLA CATOM212CG2THRA 1269.02726.13014.3911.0052.96MOLA CATOM213OG1THRA 12611.15927.03914.6191.0060.99MOLA OATOM214NTRPA 12711.63225.04716.8771.0050.44MOLA NATOM215CATRPA 12711.59124.79718.3301.0050.29MOLA CATOM216CTRPA 12710.17625.01018.8721.0049.58MOLA CATOM217OTRPA 1279.68224.17719.6501.0048.73MOLA OATOM218CBTRPA 12712.66125.61219.0821.0048.28MOLA CATOM219CGTRPA 12712.41327.07819.2351.0048.07MOLA CATOM220CD1TRPA 12712.92528.09018.4611.0048.86MOLA CATOM221CD2TRPA 12711.66627.72120.2831.0052.74MOLA CATOM222CE2TRPA 12711.73229.11420.0551.0054.59MOLA CATOM223CE3TRPA 12710.89727.25621.3651.0052.49MOLA CATOM224NE1TRPA 12712.50029.31218.9351.0045.79MOLA NATOM225CZ2TRPA 12711.07930.04220.8781.0053.36MOLA CATOM226CZ3TRPA 12710.26428.18522.1971.0049.33MOLA CATOM227CH2TRPA 12710.34929.55621.9381.0050.68MOLA CATOM228NGLUA 1289.48926.03418.3531.0049.29MOLA NATOM229CAGLUA 1288.12626.37318.8071.0048.91MOLA CATOM230CGLUA 1287.04925.36418.4401.0048.55MOLA CATOM231OGLUA 1285.97825.36319.0471.0046.95MOLA OATOM232CBGLUA 1287.65627.71018.2521.0051.35MOLA CATOM233CGGLUA 1288.50528.90618.5991.0050.33MOLA CATOM234CDGLUA 1289.27629.39117.4011.0065.73MOLA CATOM235OE1GLUA 1289.82428.53016.6911.0065.31MOLA OATOM236OE2GLUA 1289.30230.62217.1571.0074.67MOLA OATOM237NGLUA 1297.28924.53317.4381.0047.74MOLA NATOM238CAGLUA 1296.27823.57117.0331.0046.74MOLA CATOM239CGLUA 1296.72622.13117.2621.0047.21MOLA CATOM240OGLUA 1296.06121.17516.8151.0047.92MOLA OATOM241CBGLUA 1295.94123.77115.5531.0049.67MOLA CATOM242CGGLUA 1295.08124.99015.2431.0050.96MOLA CATOM243CDGLUA 1293.70924.97815.9391.0068.78MOLA CATOM244OE1GLUA 1293.31226.04716.4481.0079.04MOLA OATOM245OE2GLUA 1293.01623.92315.9781.0064.98MOLA OATOM246NASPA 1307.84721.95617.9561.0042.93MOLA NATOM247CAASPA 1308.42320.62618.1111.0041.94MOLA CATOM248CASPA 1307.63019.86219.1711.0039.68MOLA CATOM249OASPA 1307.45820.33520.2661.0040.43MOLA OATOM250CBASPA 1309.89320.75318.4871.0041.86MOLA CATOM251CGASPA 13010.66919.46818.2921.0043.26MOLA CATOM252OD1ASPA 13011.87519.55517.9461.0047.40MOLA OATOM253OD2ASPA 13010.18918.34318.5271.0050.95MOLA OATOM254NPROA 1317.07418.72118.8001.0039.00MOLA NATOM255CAPROA 1316.27317.92119.7181.0038.78MOLA CATOM256CPROA 1316.99817.34320.9361.0037.75MOLA CATOM257OPROA 1316.31816.85421.8321.0038.44MOLA OATOM258CBPROA 1315.74016.77918.8391.0039.04MOLA CATOM259CGPROA 1316.58416.80517.5811.0039.99MOLA CATOM260CDPROA 1317.09918.16817.4321.0041.02MOLA CATOM261NLEUA 1328.33717.40620.9571.0035.90MOLA NATOM262CALEUA 1329.14516.86222.0331.0033.52MOLA CATOM263CLEUA 1329.61217.97222.9711.0031.18MOLA CATOM264OLEUA 13210.14817.71024.0461.0032.31MOLA OATOM265CBLEUA 13210.33216.06621.4931.0034.32MOLA CATOM266CGLEUA 13210.06514.81520.6441.0036.24MOLA CATOM267CD1LEUA 13211.36414.06320.3731.0042.96MOLA CATOM268CD2LEUA 1329.04013.87421.2971.0044.74MOLA CATOM269NALAA 1339.29719.21522.6311.0032.05MOLA NATOM270CAALAA 1339.55420.32723.5361.0031.34MOLA CATOM271CALAA 1338.80720.12924.8771.0028.61MOLA CATOM272OALAA 1337.69219.59924.9181.0030.25MOLA OATOM273CBALAA 1339.15221.61522.9021.0033.31MOLA CATOM274NGLYA 1349.37920.61225.9591.0029.98MOLA NATOM275CAGLYA 1348.76120.39527.2861.0032.01MOLA CATOM276CGLYA 1348.11921.66027.7841.0032.57MOLA CATOM277OGLYA 1347.97122.60227.0521.0035.19MOLA OATOM278NILEA 1357.80521.70029.0691.0032.29MOLA NATOM279CAILEA 1357.11422.81229.6661.0031.19MOLA CATOM280CILEA 1357.79924.17229.4931.0033.39MOLA CATOM281OILEA 1357.13725.17129.1711.0032.23MOLA OATOM282CBILEA 1356.91322.50631.1731.0030.40MOLA CATOM283CG1ILEA 1355.92221.33831.3451.0030.82MOLA CATOM284CG2ILEA 1356.46623.75431.9171.0030.67MOLA CATOM285CD1ILEA 1355.80820.79932.7831.0027.96MOLA CATOM286NILEA 1369.09724.25429.7471.0031.04MOLA NATOM287CAILEA 1369.75925.57129.6851.0032.05MOLA CATOM288CILEA 1369.62326.29828.2901.0032.36MOLA CATOM289OILEA 1369.16927.44228.2191.0028.17MOLA OATOM290CBILEA 13611.25125.49130.1611.0031.12MOLA CATOM291CG1ILEA 13611.32425.31231.6861.0032.46MOLA CATOM292CG2ILEA 13612.05026.77729.7571.0032.12MOLA CATOM293CD1ILEA 13612.71424.89932.2101.0034.49MOLA CATOM294NPROA 13710.08525.68327.2101.0035.73MOLA NATOM295CAPROA 1379.94026.30725.8891.0034.56MOLA CATOM296CPROA 1378.47826.59725.4951.0035.39MOLA CATOM297OPROA 1378.20827.67624.9361.0035.24MOLA OATOM298CBPROA 13710.62025.31024.9461.0036.29MOLA CATOM299CGPROA 13710.82524.08525.7411.0037.35MOLA CATOM300CDPROA 13710.90524.46427.1641.0033.20MOLA CATOM301NARGA 1387.55625.65325.7481.0033.93MOLA NATOM302CAARGA 1386.13925.86425.4421.0031.15MOLA CATOM303CARGA 1385.58527.02526.2551.0032.50MOLA CATOM304OARGA 1384.79327.80325.7481.0031.64MOLA OATOM305CBARGA 1385.27624.62925.7491.0033.83MOLA CATOM306CGARGA 1385.47623.44724.8351.0029.48MOLA CATOM307CDARGA 1384.82522.16325.2831.0031.41MOLA CATOM308NEARGA 1385.26521.02024.4741.0031.55MOLA NATOM309CZARGA 1384.66820.64923.3551.0033.07MOLA CATOM310NH1ARGA 1383.65221.35622.8881.0028.72MOLA NATOM311NH2ARGA 1385.10319.60822.6771.0029.40MOLA NATOM312NTHRA 1395.98127.14027.5231.0031.35MOLA NATOM313CATHRA 1395.55528.23828.3561.0030.47MOLA CATOM314CTHRA 1396.03429.60627.8311.0033.17MOLA CATOM315OTHRA 1395.28630.60827.8181.0031.11MOLA OATOM316CBTHRA 1396.01028.01929.8391.0030.43MOLA CATOM317CG2THRA 1395.43629.08030.7151.0036.29MOLA CATOM318OG1THRA 1395.45626.81730.3781.0028.90MOLA OATOM319NLEUA 1407.30029.70127.4741.0031.53MOLA NATOM320CALEUA 1407.81430.97026.9751.0032.94MOLA CATOM321CLEUA 1407.14931.35225.6461.0035.04MOLA CATOM322OLEUA 1406.81632.51725.4201.0035.49MOLA OATOM323CBLEUA 1409.34230.94126.8381.0031.62MOLA CATOM324CGLEUA 14010.22231.06028.1111.0042.04MOLA CATOM325CD1LEUA 1409.82132.21729.0501.0036.69MOLA CATOM326CD2LEUA 14010.19329.81528.8991.0059.28MOLA CATOM327NHISA 1416.86530.37224.8011.0034.93MOLA NATOM328CAHISA 1416.25630.68323.5121.0035.29MOLA CATOM329CHISA 1414.82131.20723.7031.0037.46MOLA CATOM330OHISA 1414.41532.20023.0901.0034.04MOLA OATOM331CBHISA 1416.25029.46522.6321.0034.20MOLA CATOM332CGHISA 1415.60129.68321.2981.0041.74MOLA CATOM333CD2HISA 1414.50529.11620.7331.0046.44MOLA CATOM334ND1HISA 1416.10230.56220.3611.0044.79MOLA NATOM335CE1HISA 1415.33930.53219.2821.0046.00MOLA CATOM336NE2HISA 1414.36829.65619.4781.0048.00MOLA NTER337HISA 141ATOM338NVALA 15813.99936.24932.5071.0040.84MOLA NATOM339CAVALA 15814.21234.88732.9581.0041.83MOLA CATOM340CVALA 15815.50534.77433.7491.0043.19MOLA CATOM341OVALA 15816.45835.55333.5331.0044.11MOLA OATOM342CBVALA 15814.27333.88331.7801.0041.70MOLA CATOM343CG1VALA 15812.97833.88231.0051.0046.06MOLA CATOM344CG2VALA 15815.43534.17730.8611.0045.52MOLA CATOM345NSERA 15915.52333.81134.6691.0040.51MOLA NATOM346CASERA 15916.74833.41735.3661.0040.20MOLA CATOM347CSERA 15916.77931.89435.5041.0037.84MOLA CATOM348OSERA 15915.75231.24235.4301.0039.12MOLA OATOM349CBSERA 15916.82334.06936.7301.0041.31MOLA CATOM350OGSERA 15915.81133.56737.5841.0053.35MOLA OATOM351NLEUA 16017.97531.35235.6781.0034.08MOLA NATOM352CALEUA 16018.20729.93335.8161.0035.57MOLA CATOM353CLEUA 16019.29829.76636.8521.0038.34MOLA CATOM354OLEUA 16020.39330.30536.7251.0039.98MOLA OATOM355CBLEUA 16018.63829.30934.4941.0030.91MOLA CATOM356CGLEUA 16018.88527.80534.4291.0035.11MOLA CATOM357CD1LEUA 16017.62126.96234.7951.0035.53MOLA CATOM358CD2LEUA 16019.35827.45033.0371.0037.28MOLA CATOM359NLEUA 16118.98329.03737.8961.0038.89MOLA NATOM360CALEUA 16119.91028.83238.9651.0041.64MOLA CATOM361CLEUA 16119.94827.35439.2671.0040.30MOLA CATOM362OLEUA 16118.91326.67439.1791.0036.67MOLA OATOM363CBLEUA 16119.47829.65840.1851.0042.48MOLA CATOM364CGLEUA 16118.68929.04441.3321.0046.46MOLA CATOM365CD1LEUA 16119.55128.18542.2391.0055.01MOLA CATOM366CD2LEUA 16118.09730.11842.1281.0048.36MOLA CATOM367NGLUA 16221.14526.83639.5211.0040.56MOLA NATOM368CAGLUA 16221.29825.48540.0441.0044.78MOLA CATOM369CGLUA 16221.65625.53541.5261.0042.83MOLA CATOM370OGLUA 16222.38826.41741.9791.0044.24MOLA OATOM371CBGLUA 16222.33924.69039.2731.0045.00MOLA CATOM372CGGLUA 16221.74523.76038.2261.0061.58MOLA CATOM373CDGLUA 16222.64022.55837.9021.0056.26MOLA CATOM374OE1GLUA 16222.11121.58337.2891.0077.39MOLA OATOM375OE2GLUA 16223.85822.60938.2321.0071.01MOLA OTER376GLUA 162ATOM377NLEUA 17123.31630.00336.1101.0044.89MOLA NATOM378CALEUA 17123.66829.39334.8331.0043.75MOLA CATOM379CLEUA 17123.47330.33033.6471.0043.35MOLA CATOM380OLEUA 17123.66529.92332.5171.0043.56MOLA OATOM381CBLEUA 17122.85228.10434.6271.0044.22MOLA CATOM382CGLEUA 17123.05526.93535.6191.0040.93MOLA CATOM383CD1LEUA 17122.15225.76535.2271.0044.28MOLA CATOM384CD2LEUA 17124.50126.46535.6621.0038.69MOLA CATOM385NLEUA 17223.03231.56333.8941.0046.50MOLA NATOM386CALEUA 17222.86732.56132.8271.0048.70MOLA CATOM387CLEUA 17223.87433.72132.8721.0051.31MOLA CATOM388OLEUA 17223.76434.67032.0951.0052.31MOLA OATOM389CBLEUA 17221.45233.14432.8451.0045.93MOLA CATOM390CGLEUA 17220.33032.13132.6061.0046.97MOLA CATOM391CD1LEUA 17219.06432.83932.2061.0048.26MOLA CATOM392CD2LEUA 17220.70131.15031.5301.0045.13MOLA CTER393LEUA 172ATOM394NLYSA 20710.32336.20621.0241.0060.48MOLA NATOM395CALYSA 20710.48634.78221.2271.0064.75MOLA CATOM396CLYSA 20711.65634.19620.3971.0064.10MOLA CATOM397OLYSA 20712.09233.07620.6491.0064.45MOLA OATOM398CBLYSA 2079.15234.03621.0291.0064.99MOLA CATOM399CGLYSA 2078.57334.14119.6531.0070.32MOLA CATOM400CDLYSA 2077.15333.61519.6201.0068.39MOLA CATOM401CELYSA 2076.58433.73918.2091.0070.20MOLA CATOM402NZLYSA 2077.47433.11817.1651.0074.37MOLA NTER403LYSA 207ATOM404NGLUA 20914.60435.27820.5781.0061.45MOLA NATOM405CAGLUA 20915.72735.39221.5081.0060.19MOLA CATOM406CGLUA 20915.68734.24422.5421.0056.92MOLA CATOM407OGLUA 20916.66533.94723.2371.0054.33MOLA OATOM408CBGLUA 20915.58436.72022.2471.0060.79MOLA CATOM409CGGLUA 20916.85137.54122.3801.0065.43MOLA CATOM410CDGLUA 20916.57538.83323.1061.0066.99MOLA CATOM411OE1GLUA 20915.52339.45722.8251.0070.59MOLA OATOM412OE2GLUA 20917.39639.20723.9741.0092.21MOLA OATOM413NVALA 21014.53433.59922.6401.0053.09MOLA NATOM414CAVALA 21014.32932.57623.6421.0052.17MOLA CATOM415CVALA 21015.30031.42223.5151.0050.45MOLA CATOM416OVALA 21015.85830.97324.5271.0044.80MOLA OATOM417CBVALA 21012.91131.99923.5671.0050.64MOLA CATOM418CG1VALA 21012.77730.75924.4481.0050.67MOLA CATOM419CG2VALA 21011.90233.05623.9581.0048.32MOLA CATOM420NTYRA 21115.41530.90322.2901.0049.84MOLA NATOM421CATYRA 21116.20429.71622.0261.0051.89MOLA CATOM422CTYRA 21117.65729.91622.4181.0050.39MOLA CATOM423OTYRA 21118.25129.06023.0491.0047.14MOLA OATOM424CBTYRA 21116.11829.34320.5541.0052.77MOLA OATOM425CGTYRA 21116.68627.98120.2661.0052.73MOLA CATOM426CD1TYRA 21118.00427.82419.8721.0056.05MOLA CATOM427CD2TYRA 21115.89826.84020.4071.0056.90MOLA CATOM428CE1TYRA 21118.52626.56819.6141.0054.85MOLA CATOM429CE2TYRA 21116.40125.59520.1371.0059.28MOLA CATOM430CZTYRA 21117.71725.46219.7271.0058.41MOLA CATOM431OHTYRA 21118.22624.20319.4841.0062.34MOLA OATOM432NGLNA 21218.20031.06422.0321.0051.78MOLA NATOM433CAGLNA 21219.58331.44322.3211.0052.14MOLA CATOM434CGLNA 21219.85131.49023.8141.0051.41MOLA CATOM435OGLNA 21220.89631.04224.2801.0051.97MOLA OATOM436CBGLNA 21219.87932.79921.6441.0053.28MOLA CATOM437CGGLNA 21220.99733.65322.2461.0058.44MOLA CATOM438CDGLNA 21220.45634.86223.0221.0079.00MOLA CATOM439NE2GLNA 21221.06835.15224.1771.0075.58MOLA NATOM440OE1GLNA 21219.50635.53222.5691.0082.34MOLA OATOM441NILEA 21318.88831.97524.5791.0051.84MOLA NATOM442CAILEA 21319.05332.05426.0271.0052.44MOLA CATOM443CILEA 21319.04330.66526.6771.0051.93MOLA CATOM444OILEA 21319.87030.35427.5411.0049.09MOLA OATOM445CBILEA 21317.98532.96126.6431.0054.01MOLA CATOM446CG1ILEA 21318.09734.38026.0451.0052.23MOLA CATOM447CG2ILEA 21318.17133.02428.1651.0053.32MOLA CATOM448CD1ILEA 21316.87535.28326.2881.0053.64MOLA CATOM449NLEUA 21418.11729.82626.2461.0052.24MOLA NATOM450CALEUA 21418.05828.44326.7211.0053.71MOLA CATOM451CLEUA 21419.36027.70326.4001.0052.77MOLA CATOM452OLEUA 21419.86126.90727.1951.0049.50MOLA OATOM453CBLEUA 21416.88127.72026.0611.0052.85MOLA CATOM454CGLEUA 21415.50927.71926.7611.0059.95MOLA CATOM455CD1LEUA 21415.33628.82727.7841.0050.58MOLA CATOM456CD2LEUA 21414.37327.72325.7271.0056.64MOLA CATOM457NGLUA 21519.89427.99125.2201.0053.24MOLA NATOM458CAGLUA 21521.12127.37224.7291.0053.91MOLA CATOM459CGLUA 21522.31527.65925.6261.0050.22MOLA CATOM460OGLUA 21523.01926.73526.0571.0046.58MOLA OATOM461CBGLUA 21521.39327.87723.3241.0054.28MOLA CATOM462CGGLUA 21522.22526.95322.4641.0060.75MOLA CATOM463CDGLUA 21521.95627.19920.9951.0059.08MOLA CATOM464OE1GLUA 21521.75528.38420.6401.0068.20MOLA OATOM465OE2GLUA 21521.87326.21220.2211.0074.56MOLA OATOM466NLYSA 21622.53128.92925.9381.0050.85MOLA NATOM467CALYSA 21623.64929.31226.8221.0053.41MOLA CATOM468CLYSA 21623.48828.63028.1851.0051.89MOLA CATOM469OLYSA 21624.46128.14928.7751.0049.85MOLA OATOM470CBLYSA 21623.72130.83627.0141.0054.46MOLA CATOM471CGLYSA 21623.83531.67625.7111.0061.78MOLA CATOM472CDLYSA 21623.71733.21925.9641.0059.15MOLA CATOM473CELYSA 2162S.09233.92226.1211.0070.04MOLA CATOM474NZLYSA 21624.98435.39226.4781.0061.11MOLA NATOM475NGLYA 21722.24928.55128.6661.0050.87MOLA NATOM476CAGLYA 21721.98827.93329.9661.0050.86MOLA CATOM477CGLYA 21722.45626.49129.9761.0049.21MOLA CATOM478OGLYA 21723.22926.05630.8421.0046.38MOLA OATOM479NALAA 21821.99325.74328.9931.0049.07MOLA NATOM480CAALAA 21822.35124.34128.8911.0050.64MOLA CATOM481CALAA 21823.86724.16028.7581.0050.06MOLA CATOM482OALAA 21824.43423.21429.2981.0051.02MOLA OATOM483CBALAA 21821.60323.67827.6981.0049.35MOLA CATOM484NALAA 21924.50925.04528.0001.0050.06MOLA NATOM485CAALAA 21925.95224.96427.7911.0051.23MOLA CATOM486CALAA 21926.64825.09629.1301.0051.11MOLA CATOM487OALAA 21927.51124.30229.4751.0050.29MOLA OATOM488CBALAA 21926.41826.07326.8371.0052.36MOLA CATOM489NLYSA 22026.19526.06929.9091.0051.11MOLA NATOM490CALYSA 22026.80726.38331.1861.0051.30MOLA CATOM491CLYSA 22026.54325.28532.2341.0051.73MOLA CATOM492OLYSA 22027.38125.00433.1011.0052.28MOLA OATOM493CBLYSA 22026.27327.72931.6601.0053.37MOLA CATOM494CGLYSA 22027.03528.37232.7981.0055.07MOLA CATOM495CDLYSA 22028.11229.31332.2831.0062.88MOLA CATOM496CELYSA 22027.91530.74432.7831.0072.33MOLA CATOM497NZLYSA 22027.91330.93234.2761.0072.63MOLA NATOM498NARGA 22125.37524.66732.1781.0049.24MOLA NATOM499CAARGA 22125.09723.57033.0761.0050.11MOLA CATOM500CARGA 22126.09522.41832.8271.0048.63MOLA CATOM501OARGA 22126.56721.78833.7581.0045.88MOLA OATOM502CBARGA 22123.64623.11332.8851.0049.01MOLA CATOM503CGARGA 22123.13022.04533.8751.0052.14MOLA CATOM504CDARGA 22121.59021.93533.8701.0051.56MOLA CATOM505NEARGA 22121.10022.22432.5241.0061.41MOLA NATOM506CZARGA 22119.93122.78432.2191.0058.92MOLA CATOM507NH1ARGA 22119.06023.12733.1761.0056.45MOLA NATOM508NH2ARGA 22119.64423.00430.9361.0053.43MOLA NATOM509NTHRA 22226.41722.17431.5621.0050.61MOLA NATOM510CATHRA 22227.32921.11031.1651.0051.68MOLA CATOM511CTHRA 22228.77721.35931.6301.0051.68MOLA CATOM512OTHRA 22229.46320.42932.0361.0052.32MOLA OATOM513CBTHRA 22227.30020.93529.6311.0051.77MOLA CATOM514CG2THRA 22228.20219.76829.2121.0054.07MOLA CATOM515OG1THRA 22225.99520.52129.2001.0053.79MOLA OTER516THRA 222ATOM517NSERA 23223.73517.28637.0981.0046.54MOLA NATOM518CASERA 23222.37717.81237.1561.0045.63MOLA CATOM519CSERA 23221.44616.88737.9071.0043.70MOLA CATOM520OSERA 23220.49817.34838.5491.0043.91MOLA OATOM521CBSERA 23221.86418.06235.7491.0047.49MOLA CATOM522OGSERA 23221.78116.84535.0271.0049.04MOLA OTER523SERA 232ATOM524NSERA 23717.39322.41639.7221.0035.65MOLA NATOM525CASERA 23717.39623.50338.7441.0035.10MOLA CATOM526CSERA 23716.12624.34838.8921.0036.19MOLA CATOM527OSERA 23714.99023.81538.9571.0032.72MOLA OATOM528CBSERA 23717.46522.89837.3521.0035.72MOLA CATOM529OGSERA 23717.47723.90236.3481.0048.22MOLA OATOM530NVALA 23816.31225.65239.0441.0034.78MOLA NATOM531CAVALA 23815.19826.55139.1491.0035.39MOLA CATOM532CVALA 23815.18927.56538.0261.0033.00MOLA CATOM533OVALA 23815.97528.51438.0021.0031.05MOLA OATOM534CBVALA 23815.17927.32240.4561.0035.99MOLA CATOM535CG1VALA 23813.91928.10240.5101.0031.83MOLA CATOM536CG2VALA 23815.27826.40641.6341.0038.12MOLA CATOM537NPHEA 23914.27027.36637.0961.0031.84MOLA NATOM538CAPHEA 23914.08228.32036.0411.0034.07MOLA CATOM539CPHEA 23912.91529.23136.4461.0034.92MOLA CATOM540OPHEA 23911.84528.76136.8071.0036.29MOLA OATOM541CBPHEA 23913.78527.60034.7301.0033.42MOLA CATOM542CGPHEA 23913.62728.52433.5791.0032.00MOLA CATOM543CD1PHEA 23912.36929.01633.2361.0041.98MOLA CATOM544CD2PHEA 23914.72428.87432.8051.0045.78MOLA CATOM545CE1PHEA 23912.22329.87532.1651.0041.34MOLA CATOM546CE2PHEA 23914.58029.74631.7341.0043.27MOLA CATOM547CZPHEA 23913.33430.24831.4241.0038.95MOLA CATOM548NSERA 24013.12730.52836.4171.0035.91MOLA NATOM549CASERA 24012.07531.47236.7521.0036.72MOLA CATOM550CSERA 24011.82332.41135.5711.0038.46MOLA CATOM551OSERA 24012.77532.82434.8931.0034.30MOLA OATOM552CBSERA 24012.48132.29037.9891.0039.28MOLA CATOM553OGSERA 24012.58231.45239.1431.0041.14MOLA OTER554SERA 240ATOM555NLEUA 2639.88326.97737.4621.0029.70MOLA NATOM556CALEUA 2639.82625.65436.8941.0031.71MOLA CATOM557CLEUA 26311.03224.93737.4431.0029.65MOLA CATOM558OLEUA 26312.17125.28337.1291.0031.11MOLA OATOM559CBLEUA 2639.87425.76835.3621.0031.71MOLA CATOM560CGLEUA 2638.69926.60634.8501.0035.64MOLA CATOM561CD1LEUA 2638.87027.04233.4291.0040.37MOLA CATOM562CD2LEUA 2637.43625.80934.9901.0036.52MOLA CATOM563NVALA 26410.76423.99638.3341.0030.40MOLA NATOM564CAVALA 26411.78823.35639.1371.0029.81MOLA CATOM565CVALA 26411.96121.86738.8041.0029.20MOLA CATOM566OVALA 26411.03121.07338.8991.0029.03MOLA OATOM567CBVALA 26411.43523.45940.6251.0030.73MOLA CATOM568CG1VALA 26412.55522.91141.4711.0033.67MOLA CATOM569CG2VALA 26411.10224.83640.9931.0029.78MOLA CATOM570NASPA 26513.17221.52338.4101.0027.03MOLA NATOM571CAASPA 26513.59120.18438.0741.0029.09MOLA CATOM572CASPA 26514.49919.66239.2241.0030.39MOLA CATOM573OASPA 26515.62520.09039.3651.0033.95MOLA OATOM574CBASPA 26514.32320.29536.7371.0030.56MOLA CATOM575CGASPA 26514.85318.98136.2461.0038.02MOLA CATOM576OD1ASPA 26514.75817.98137.0031.0040.28MOLA OATOM577OD2ASPA 26515.42118.86535.1301.0050.10MOLA OTER578ASPA 265END Table 10. Novel Eg5 ligand binding site/compound 3 X-ray coordinates. Complete coordinates of the entire motor domain of Eg5. Table 10 discloses residues 16-55, 61-270, 285-365, 16-55, 61-270 and 285-365 of SEQ ID NO: 1, respectively, in order of appearance. TABLE 10Novel Eg5 ligand binding site/compound 3 X-ray coordinates.Complete coordinates of the entire motor domain of Eg5Table 10 discloses residues 16-55, 61-270, 285-365, 16-55,61-270, and 285-365 of SEQ ID NO: 1, respectively, in orderof appearanceATOM1NGLYA 16−8.47121.61549.1821.0077.82MOLA NATOM2CAGLYA 16−7.56720.52148.7161.0076.09MOLA CATOM3CGLYA 16−6.65820.93747.5771.0075.50MOLA CATOM4OGLYA 16−5.53121.40647.8011.0074.88MOLA OATOM5NLYSA 17−7.18020.78746.3611.0074.32MOLA NATOM6CALYSA 17−6.44420.98645.1051.0072.36MOLA CATOM7CBLYSA 17−7.32920.56643.9201.0072.22MOLA CATOM8CGLYSA 17−8.65721.32043.8011.0072.93MOLA CATOM9CDLYSA 17−8.55422.60042.9621.0067.69MOLA CATOM10CELYSA 17−8.61922.30641.4581.0064.89MOLA CATOM11NZLYSA 17−7.58921.32641.0251.0051.00MOLA NATOM12CLYSA 17−5.84222.37444.8411.0071.34MOLA CATOM13OLYSA 17−5.89722.87243.7231.0072.49MOLA OATOM14NASNA 18−5.26523.00045.8561.0068.95MOLA NATOM15CAASNA 18−4.52424.21845.6291.0067.26MOLA CATOM16CBASNA 18−4.42325.02346.9191.0068.03MOLA CATOM17CGASNA 18−4.11026.48746.6691.0072.15MOLA CATOM18OD1ASNA 18−3.61027.18647.5481.0075.80MOLA OATOM19ND2ASNA 18−4.41026.96145.4631.0083.36MOLA NATOM20CASNA 18−3.14723.76845.1821.0066.05MOLA CATOM21OASNA 18−2.27424.56444.8181.0066.62MOLA OATOM22NILEA 19−2.98222.45045.2171.0064.39MOLA NATOM23CAILEA 19−1.72321.76744.9721.0061.50MOLA CATOM24CBILEA 19−1.06121.36046.3051.0061.41MOLA CATOM25CG1ILEA 19−0.85022.58747.2261.0061.94MOLA CATOM26CD1ILEA 19−2.11023.01348.1401.0038.19MOLA CATOM27CG2ILEA 190.23520.57346.0631.0064.61MOLA CATOM28CILEA 19−2.09120.50944.2191.0059.05MOLA CATOM29OILEA 19−3.06219.83944.5731.0058.25MOLA OATOM30NGLNA 20−1.34720.19643.1691.0057.28MOLA NATOM31CAGLNA 20−1.66719.02542.3551.0056.60MOLA CATOM32CBGLNA 20−2.27619.44941.0151.0057.33MOLA CATOM33CGGLNA 20−3.71419.95841.1071.0058.31MOLA CATOM34CDGLNA 20−4.73118.87340.8231.0063.31MOLA CATOM35OE1GLNA 20−4.94218.50039.6711.0070.90MOLA OATOM36NE2GLNA 20−5.38018.37041.8671.0066.67MOLA NATOM37CGLNA 20−0.46118.12042.1381.0055.48MOLA CATOM38OGLNA 200.63918.59441.8121.0056.18MOLA OATOM39NVALA 21−0.67316.81642.3281.0052.76MOLA NATOM40CAVALA 210.38815.82242.1711.0048.69MOLA CATOM41CBVALA 210.54714.94743.4071.0047.76MOLA CATOM42CG1VALA 211.61813.89543.1571.0046.50MOLA CATOM43CG2VALA 210.90515.77644.6131.0046.37MOLA CATOM44CVALA 210.05614.87241.0541.0046.83MOLA CATOM45OVALA 21−0.99914.25141.0511.0048.81MOLA OATOM46NVALA 220.96314.73540.1091.0044.40MOLA NATOM47CAVALA 220.73013.78739.0491.0042.13MOLA CATOM48CBVALA 220.34814.47137.7701.0042.26MOLA CATOM49CG1VALA 22−0.98915.14037.9491.0039.66MOLA CATOM50CG2VALA 221.46915.45837.3751.0037.67MOLA CATOM51CVALA 221.95812.96338.7621.0042.29MOLA CATOM52OVALA 223.07913.29139.1471.0041.62MOLA OATOM53NVALA 231.72211.88138.0531.0041.93MOLA NATOM54CAVALA 232.76410.99637.6981.0041.48MOLA CATOM55CBVALA 232.6069.65838.4351.0042.90MOLA CATOM56CG1VALA 233.5658.57937.8871.0040.60MOLA CATOM57CG2VALA 232.8289.87739.9111.0043.27MOLA CATOM58CVALA 232.62910.80936.2191.0041.72MOLA CATOM59OVALA 231.51710.66035.6921.0042.44MOLA OATOM60NARGA 243.77910.88435.5541.0041.45MOLA NATOM61CAARGA 243.92510.55634.1441.0039.24MOLA CATOM62CBARGA 244.67411.65133.4041.0034.62MOLA CATOM63CGARGA 244.83811.38531.9371.0036.57MOLA CATOM64CDARGA 245.39012.61831.2721.0028.99MOLA CATOM65NEARGA 245.35012.61129.8221.0015.29MOLA NATOM66CZARGA 245.85713.61129.1181.0022.21MOLA CATOM67NH1ARGA 246.40914.61529.7661.0033.59MOLA NATOM68NH2ARGA 245.81313.63627.7941.0017.49MOLA NATOM69CARGA 244.7969.34534.2201.0039.66MOLA CATOM70OARGA 245.5789.22335.1851.0039.26MOLA OATOM71NCYSA 254.6378.44533.2501.0038.37MOLA NATOM72CACYSA 255.4717.25633.1491.0039.02MOLA CATOM73CBCYSA 254.6795.99733.4971.0037.76MOLA CATOM74SGCYSA 255.5214.46633.0191.0039.40MOLA SATOM75CCYSA 256.0187.16131.7351.0040.56MOLA CATOM76OCYSA 255.2557.14830.7611.0041.64MOLA OATOM77NARGA 267.3347.10131.6021.0040.83MOLA NATOM78CAARGA 267.8777.09730.2571.0043.11MOLA CATOM79CBARGA 269.3347.55430.2071.0041.68MOLA CATOM80CGARGA 2610.3306.63730.9131.0038.20MOLA CATOM81CDARGA 2611.7626.89730.4051.0037.93MOLA CATOM82NEARGA 2612.7716.12031.1251.0038.00MOLA NATOM83CZARGA 2612.7834.78931.2081.0047.53MOLA CATOM84NH1ARGA 2611.8274.06930.6311.0056.89MOLA NATOM85NH2ARGA 2613.7374.16831.8871.0034.54MOLA NATOM86CARGA 267.7425.68729.7181.0048.09MOLA CATOM87OARGA 267.3704.76830.4721.0050.71MOLA OATOM88NPROA 277.9715.53328.4001.0047.89MOLA NATOM89CAPROA 278.1034.30627.6311.0046.49MOLA CATOM90CBPROA 278.0804.82126.1841.0047.23MOLA CATOM91CGPROA 277.4546.22226.2631.0047.67MOLA CATOM92CDPROA 278.0086.73027.5371.0049.34MOLA CATOM93CPROA 279.4383.61827.8681.0046.83MOLA CATOM94OPROA 2710.3874.26028.2881.0048.19MOLA OATOM95NPHEA 289.5242.32527.5761.0046.87MOLA NATOM96CAPHEA 2810.8141.62127.5661.0048.92MOLA CATOM97CBPHEA 2810.6390.18727.0251.0048.50MOLA CATOM98CGPHEA 289.996−0.79927.9871.0054.11MOLA CATOM99CD1PHEA 288.616−0.79728.2101.0053.36MOLA CATOM100CE1PHEA 288.029−1.73529.0611.0048.65MOLA CATOM101CZPHEA 288.820−2.70429.6891.0040.70MOLA CATOM102CE2PHEA 2810.180−2.73229.4691.0044.53MOLA CATOM103CD2PHEA 2810.770−1.78628.6101.0056.83MOLA CATOM104CPHEA 2811.8922.30826.6781.0048.52MOLA CATOM105OPHEA 2811.5733.07825.7701.0048.35MOLA OATOM106NASNA 2913.1692.01726.9371.0048.85MOLA NATOM107CAASNA 2914.2532.34525.9821.0048.47MOLA CATOM108CBASNA 2915.2233.35326.5511.0046.09MOLA CATOM109CGASNA 2915.7462.92027.8561.0039.95MOLA CATOM110OD1ASNA 2915.3491.87428.3571.0058.59MOLA OATOM111ND2ASNA 2916.6063.70828.4481.0042.77MOLA NATOM112CASNA 2915.0261.06925.6711.0050.04MOLA CATOM113OASNA 2914.7610.01826.2641.0049.87MOLA OATOM114NLEUA 3016.0061.16324.7801.0049.53MOLA NATOM115CALEUA 3016.701−0.03424.3471.0050.23MOLA CATOM116CBLEUA 3017.7580.28723.3091.0050.24MOLA CATOM117CGLEUA 3016.9620.48722.0161.0058.12MOLA CATOM118CD1LEUA 3015.9601.62322.1911.0063.47MOLA CATOM119CD2LEUA 3017.8720.71220.8011.0067.93MOLA CATOM120CLEUA 3017.246−0.89225.4741.0050.37MOLA CATOM121OLEUA 3016.800−2.03225.6301.0051.27MOLA OATOM122NALAA 3118.180−0.37526.2651.0048.94MOLA NATOM123CAALAA 3118.724−1.18127.3621.0050.12MOLA CATOM124CBALAA 3119.589−0.32328.3041.0052.18MOLA CATOM125CALAA 3117.629−1.93828.1431.0049.13MOLA CATOM126OALAA 3117.833−3.06928.6161.0047.46MOLA OATOM127NGLUA 3216.469−1.30728.2531.0049.03MOLA NATOM128CAGLUA 3215.340−1.89828.9441.0050.17MOLA CATOM129CBGLUA 3214.277−0.83929.1901.0049.19MOLA CATOM130CGGLUA 3214.6820.12630.2941.0046.85MOLA CATOM131CDGLUA 3213.6111.16130.5551.0048.85MOLA CATOM132OE1GLUA 3213.0751.71629.5661.0046.08MOLA OATOM133OE2GLUA 3213.3011.41531.7431.0039.40MOLA OATOM134CGLUA 3214.774−3.13228.2341.0051.01MOLA CATOM135OGLUA 3214.580−4.16228.8741.0051.02MOLA OATOM136NARGA 3314.522−3.03426.9271.0054.00MOLA NATOM137CAARGA 3314.087−4.19126.1051.0056.58MOLA CATOM138CBARGA 3313.654−3.79024.6891.0054.23MOLA CATOM139CGARGA 3312.620−2.73024.5571.0051.14MOLA CATOM140CDARGA 3311.267−3.17024.9951.0050.07MOLA CATOM141NEARGA 3310.280−2.36524.2801.0047.34MOLA NATOM142CZARGA 339.016−2.20624.6521.0039.67MOLA CATOM143NH1ARGA 338.550−2.78625.7501.0040.71MOLA NATOM144NH2ARGA 338.216−1.45423.9171.0048.89MOLA NATOM145CARGA 3315.225−5.18325.9101.0059.38MOLA CATOM146OARGA 3315.025−6.40425.9691.0061.15MOLA OATOM147NLYSA 3416.410−4.63625.6421.0060.88MOLA NATOM148CALYSA 3417.582−5.42225.2991.0060.70MOLA CATOM149CBLYSA 3418.770−4.50025.0511.0059.84MOLA CATOM150CGLYSA 3419.818−5.05324.1051.0063.66MOLA CATOM151CDLYSA 3420.936−5.76424.8631.0065.68MOLA CATOM152CELYSA 3422.156−5.97623.9831.0059.93MOLA CATOM153NZLYSA 3423.326−6.27224.8391.0058.81MOLA NATOM154CLYSA 3417.882−6.45226.3741.0060.03MOLA CATOM155OLYSA 3418.662−7.36426.1631.0062.74MOLA OATOM156NALAA 3517.263−6.31727.5301.0058.88MOLA NATOM157CAALAA 3517.391−7.35328.5311.0059.79MOLA CATOM158CBALAA 3518.291−6.90029.6681.0059.51MOLA CATOM159CALAA 3515.983−7.72529.0071.0060.67MOLA CATOM160OALAA 3515.770−8.15730.1521.0058.68MOLA OATOM161NSERA 3615.031−7.54628.0881.0061.41MOLA NATOM162CASERA 3613.621−7.86828.2991.0062.96MOLA CATOM163CBSERA 3613.316−9.32627.8691.0065.09MOLA CATOM164OGSERA 3611.954−9.71128.1041.0066.82MOLA OATOM165CSERA 3613.189−7.61129.7401.0062.42MOLA CATOM166OSERA 3612.786−8.52930.4571.0063.15MOLA OATOM167NALAA 3713.281−6.36130.1731.0060.74MOLA NATOM168CAALAA 3712.768−6.03031.4791.0059.26MOLA CATOM169CBALAA 3713.158−4.62331.8531.0059.53MOLA CATOM170CALAA 3711.247−6.20031.3621.0058.34MOLA CATOM171OALAA 3710.700−6.17230.2481.0057.94MOLA OATOM172NHISA 3810.568−6.40832.4881.0056.62MOLA NATOM173CAHISA 389.127−6.64932.4531.0056.19MOLA CATOM174CBHISA 388.749−7.86433.3141.0056.82MOLA CATOM175CGHISA 389.521−9.10132.9831.0057.57MOLA CATOM176ND1HISA 389.277−9.85031.8521.0060.37MOLA NATOM177CE1HISA 3810.112−10.87331.8171.0064.35MOLA CATOM178NE2HISA 3810.889−10.81532.8841.0061.85MOLA NATOM179CD2HISA 3810.536−9.71833.6331.0062.14MOLA CATOM180CHISA 388.343−5.44032.9191.0054.23MOLA CATOM181OHISA 388.510−4.97634.0501.0053.32MOLA OATOM182NSERA 397.470−4.92332.0711.0052.05MOLA NATOM183CASERA 396.682−3.81532.5401.0052.52MOLA CATOM184CBSERA 395.600−3.41931.5611.0050.94MOLA CATOM185OGSERA 394.710−2.55332.2291.0054.43MOLA OATOM186CSERA 396.070−4.24733.8591.0052.70MOLA CATOM187OSERA 395.555−5.35933.9861.0055.01MOLA OATOM188NILEA 406.161−3.39234.8621.0051.44MOLA NATOM189CAILEA 405.583−3.73036.1471.0049.51MOLA CATOM190CBILEA 406.657−3.91037.2151.0050.19MOLA CATOM191CG1ILEA 407.735−2.83937.0441.0042.57MOLA CATOM192CD1ILEA 408.758−2.92238.1051.0039.45MOLA CATOM193CG2ILEA 407.222−5.34137.1691.0046.24MOLA CATOM194CILEA 404.656−2.63836.6161.0050.32MOLA CATOM195OILEA 404.295−2.59537.7961.0050.69MOLA OATOM196NVALA 414.269−1.76035.6931.0049.54MOLA NATOM197CAVALA 413.480−0.58936.0221.0046.39MOLA CATOM198CBVALA 414.3360.70535.8261.0046.01MOLA CATOM199CG1VALA 413.5391.95036.1351.0037.82MOLA CATOM200CG2VALA 415.5740.67036.6871.0040.14MOLA CATOM201CVALA 412.293−0.57735.0861.0048.20MOLA CATOM202OVALA 412.471−0.52033.8841.0049.58MOLA OATOM203NGLUA 421.084−0.66835.6111.0051.52MOLA NATOM204CAGLUA 42−0.098−0.52634.7651.0054.45MOLA CATOM205CBGLUA 42−1.089−1.70634.9691.0054.37MOLA CATOM206CGGLUA 42−2.403−1.68934.0781.0058.48MOLA CATOM207CDGLUA 42−2.324−2.52332.7501.0079.48MOLA CATOM208OE1GLUA 42−1.863−3.69532.7811.0083.88MOLA OATOM209OE2GLUA 42−2.754−2.02031.6741.0068.94MOLA OATOM210CGLUA 42−0.6950.80235.1951.0056.50MOLA CATOM211OGLUA 42−0.9431.00636.3841.0057.21MOLA OATOM212NCYSA 43−0.8941.72534.2571.0059.94MOLA NATOM213CACYSA 43−1.4203.06334.6151.0062.54MOLA CATOM214CBCYSA 43−0.6394.16933.9051.0062.23MOLA CATOM215SGCYSA 43−0.9334.64934.6591.0069.01MOLA SATOM216CCYSA 43−2.8683.24834.2491.0062.74MOLA CATOM217OCYSA 43−3.2642.89833.1491.0063.55MOLA OATOM218NASPA 44−3.6583.82035.1511.0063.94MOLA NATOM219CAASPA 44−5.0354.18334.7881.0066.05MOLA CATOM220CBASPA 44−6.0923.53735.6961.0068.12MOLA CATOM221CGASPA 44−7.0002.55734.9301.0076.95MOLA CATOM222OD1ASPA 44−6.9182.48933.6701.0088.54MOLA OATOM223OD2ASPA 44−7.8041.86635.5921.0088.42MOLA OATOM224CASPA 44−5.2565.67434.6961.0063.44MOLA CATOM225OASPA 44−5.4306.34135.7091.0061.99MOLA OATOM226NPROA 45−5.2826.19233.4651.0062.56MOLA NATOM227CAPROA 45−5.4507.61033.2711.0063.47MOLA CATOM228CBPROA 45−5.3467.77531.7551.0061.36MOLA CATOM229CGPROA 45−5.7166.48531.2061.0063.16MOLA CATOM230CDPROA 45−5.2235.46432.1931.0062.39MOLA CATOM231CPROA 45−6.8287.98733.8171.0065.68MOLA CATOM232OPROA 45−6.9108.82634.7221.0066.72MOLA OATOM233NVALA 46−7.8877.33933.3171.0066.91MOLA NATOM234CAVALA 46−9.2367.53033.8651.0067.23MOLA CATOM235CBVALA 46−10.3376.84233.0191.0066.95MOLA CATOM236CG1VALA 46−11.3906.16233.9181.0059.15MOLA CATOM237CG2VALA 46−10.9707.86232.1011.0065.96MOLA CATOM238CVALA 46−9.3617.13035.3461.0068.79MOLA CATOM239OVALA 46−9.7367.95436.1851.0068.23MOLA OATOM240NARGA 47−9.0525.88535.6901.0069.64MOLA NATOM241CAARGA 47−9.2175.52237.0901.0070.77MOLA CATOM242CBARGA 47−9.1134.01237.3321.0071.43MOLA CATOM243CGARGA 47−10.4303.29637.0651.0072.96MOLA CATOM244CDARGA 47−10.5922.00337.8561.0078.84MOLA CATOM245NEARGA 47−10.3152.13439.2901.0082.91MOLA NATOM246CZARGA 47−11.0102.88440.1461.0083.41MOLA CATOM247NH1ARGA 47−12.0213.63739.7281.0086.15MOLA NATOM248NH2ARGA 4710.6742.90241.4291.0073.39MOLA NATOM249CARGA 47−8.2826.32037.9861.0070.60MOLA CATOM250OARGA 47−8.2216.07639.1921.0071.12MOLA OATOM251NLYSA 48−7.5867.28737.3681.0070.07MOLA NATOM252CALYSA 48−6.6568.23538.0261.0067.87MOLA CATOM253CBLYSA 48−7.4269.38838.6771.0067.99MOLA CATOM254CGLYSA 48−7.82010.50837.7301.0068.95MOLA CATOM255CDLYSA 48−7.90411.81538.5001.0075.05MOLA CATOM256CELYSA 48−8.47411.60039.9051.0078.24MOLA CATOM257NZLYSA 48−8.05612.66940.8531.0082.36MOLA NATOM258CLYSA 48−5.6857.65239.0551.0066.38MOLA CATOM259OLYSA 48−5.4488.26940.1081.0066.91MOLA OATOM260NGLUA 49−5.1066.49438.7341.0064.44MOLA NATOM261CAGLUA 49−4.2495.75639.6621.0062.59MOLA CATOM262CBGLUA 49−5.1174.90440.5721.0063.37MOLA CATOM263CGGLUA 49−5.8883.84139.7901.0067.59MOLA CATOM264CDGLUA 49−6.6842.92440.6741.0074.55MOLA CATOM265OE1GLUA 49−7.0421.83340.1981.0080.02MOLA OATOM266OE2GLUA 49−6.9383.28241.8441.0080.68MOLA OATOM267CGLUA 49−3.3334.82638.8991.0060.25MOLA CATOM268OGLUA 49−3.6654.41837.7821.0060.12MOLA OATOM269NVALA 50−2.2074.47039.5191.0058.51MOLA NATOM270CAVALA 50−1.1943.57738.9171.0059.34MOLA CATOM271CBVALA 500.1144.34138.5351.0058.65MOLA CATOM272CG1VALA 500.5455.27939.6391.0058.00MOLA CATOM273CG2VALA 501.2343.37738.2441.0055.92MOLA CATOM274CVALA 50−0.8522.36839.8131.0060.90MOLA CATOM275OVALA 50−0.5572.51541.0031.0062.17MOLA OATOM276NSERA 51−0.8761.17339.2361.0061.73MOLA NATOM277CASERA 51−0.656−0.05640.0031.0062.45MOLA CATOM278CBSERA 51−1.733−1.07539.6401.0062.54MOLA CATOM279OGSERA 51−1.765−1.27638.2311.0063.52MOLA OATOM280CSERA 510.730−0.67039.7741.0062.91MOLA CATOM281OSERA 511.081−1.02538.6461.0062.61MOLA OATOM282NVALA 521.507−0.81440.8421.0063.29MOLA NATOM283CAVALA 522.851−1.37040.7121.0065.93MOLA CATOM284CBVALA 523.938−0.41741.3451.0064.59MOLA CATOM285CG1VALA 523.920−0.48642.8461.0064.79MOLA CATOM286CG2VALA 525.321−0.74540.8431.0060.35MOLA CATOM287CVALA 522.965−2.85641.1751.0070.06MOLA CATOM288OVALA 522.995−3.16642.3741.0069.63MOLA OATOM289NARGA 532.999−3.75940.1881.0074.78MOLA NATOM290CAARGA 533.246−5.20640.3791.0077.79MOLA CATOM291CBARGA 533.780−5.81939.0601.0077.51MOLA CATOM292CGARGA 533.813−7.36238.9581.0078.04MOLA CATOM293CDARGA 533.952−7.85337.4841.0079.83MOLA CATOM294NEARGA 533.007−7.18436.5691.0085.85MOLA NATOM295CZARGA 531.939−7.73735.9791.0074.06MOLA CATOM296NH1ARGA 531.191−6.97635.1981.0069.75MOLA NATOM297NH2ARGA 531.611−9.02136.1451.0057.09MOLA NATOM298CARGA 534.212−5.45441.5581.0078.72MOLA CATOM299OARGA 535.436−5.57541.3871.0077.82MOLA OATOM300NTHRA 543.632−5.53142.7511.0080.41MOLA NATOM301CATHRA 544.396−5.62943.9951.0081.27MOLA CATOM302CBTHRA 543.683−4.80845.1131.0080.46MOLA CATOM303OG1THRA 544.529−4.71646.2621.0080.63MOLA OATOM304CG2THRA 542.332−5.42545.5041.0077.06MOLA CATOM305CTHRA 544.729−7.08344.4411.0083.14MOLA CATOM306OTHRA 545.582−7.30245.3221.0082.64MOLA OATOM307NGLYA 554.074−8.06343.8111.0084.36MOLA NATOM308CAGLYA 554.288−9.48544.1061.0085.55MOLA CATOM309CGLYA 555.747−9.87344.2991.0087.44MOLA CATOM310OGLYA 556.064−10.80845.0521.0089.08MOLA OATOM311NSERA 61−3.290−10.90742.0411.0092.23MOLA NATOM312CASERA 61−3.719−9.59742.5231.0091.45MOLA CATOM313CBSERA 61−5.172−9.65743.0061.0091.46MOLA CATOM314OGSERA 61−5.720−8.35343.1361.0091.95MOLA OATOM315CSERA 61−2.788−9.10043.6321.0090.99MOLA CATOM316OSERA 61−3.224−8.44944.5921.0090.74MOLA OATOM317NSERA 62−1.503−9.42743.4941.0090.65MOLA NATOM318CASERA 62−0.478−8.98344.4361.0089.65MOLA CATOM319CBSERA 620.559−10.07244.6831.0089.42MOLA CATOM320OGSERA 621.343−9.73845.8111.0090.40MOLA OATOM321CSERA 620.192−7.72543.8971.0089.63MOLA CATOM322OSERA 621.417−7.66143.7331.0090.65MOLA OATOM323NARGA 63−0.642−6.73843.5921.0087.56MOLA NATOM324CAARGA 63−0.192−5.45043.1371.0084.62MOLA CATOM325CBARGA 63−0.925−5.04141.8501.0084.95MOLA CATOM326CGARGA 63−0.705−5.95040.6441.0079.92MOLA CATOM327CDARGA 63−0.960−5.21339.3261.0075.75MOLA CATOM328NEARGA 63−2.378−4.94039.0651.0083.76MOLA NATOM329CZARGA 63−2.841−4.26938.0011.0090.05MOLA CATOM330NH1ARGA 63−2.000−3.78537.0901.0091.87MOLA NATOM331NH2ARGA 63−4.149−4.07437.8431.0085.56MOLA NATOM332CARGA 63−0.488−4.44644.2511.0084.45MOLA CATOM333OARGA 63−1.168−4.76245.2381.0084.17MOLA OATOM334NLYSA 640.056−3.24644.0951.0082.90MOLA NATOM335CALYSA 64−0.250−2.12044.9601.0080.71MOLA CATOM336CBLYSA 641.023−1.64945.6691.0079.66MOLA CATOM337CGLYSA 640.894−0.32846.4191.0082.32MOLA CATOM338CDLYSA 64−0.360−0.27847.3051.0089.95MOLA CATOM339CELYSA 64−0.292−1.26248.4741.0084.24MOLA CATOM340NZLYSA 64−1.560−1.27549.2531.0070.29MOLA NATOM341CLYSA 64−0.850−1.01544.0691.0079.12MOLA CATOM342OLYSA 64−0.439−0.86142.9121.0079.39MOLA OATOM343NTHRA 65−1.839−0.27244.5691.0075.90MOLA NATOM344CATHRA 65−2.3840.82543.7681.0072.81MOLA CATOM345CBTHRA 65−3.8550.56843.3011.0072.33MOLA CATOM346OG1THRA 65−3.959−0.72942.7001.0070.33MOLA OATOM347CG2THRA 65−4.2811.59342.2581.0072.92MOLA CATOM348CTHRA 65−2.1982.18944.4571.0071.07MOLA CATOM349OTHRA 65−2.3142.30745.6841.0071.75MOLA OATOM350NTYRA 66−1.8373.18643.6471.0067.88MOLA NATOM351CATYRA 66−1.6814.57944.0681.0065.00MOLA CATOM352CBTYRA 66−0.2795.11543.7591.0062.56MOLA CATOM353CGTYRA 660.7904.59344.6611.0058.93MOLA CATOM354CD1TYRA 661.6603.58144.2391.0054.92MOLA CATOM355CE1TYRA 662.6543.08245.0841.0033.82MOLA CATOM356CZTYRA 662.7783.60446.3541.0043.77MOLA CATOM357OHTYRA 663.7343.12847.2111.0047.71MOLA OATOM358CE2TYRA 661.9314.61046.7891.0060.18MOLA CATOM359CD2TYRA 660.9365.09645.9421.0059.38MOLA CATOM360CTYRA 66−2.6795.42143.3001.0064.64MOLA CATOM361OTYRA 66−2.9705.16042.1301.0066.09MOLA OATOM362NTHRA 67−3.1846.45343.9521.0063.24MOLA NATOM363CATHRA 67−4.1507.33743.3271.0060.71MOLA CATOM364CBTHRA 67−5.5227.26644.0671.0060.37MOLA CATOM365OG1THRA 67−5.7955.91644.4731.0056.54MOLA OATOM366CG2THRA 67−6.6547.75643.1761.0066.23MOLA CATOM367CTHRA 67−3.5618.75843.3341.0057.70MOLA CATOM368OTHRA 67−2.9209.16844.3191.0054.63MOLA OATOM369NPHEA 68−3.7429.48342.2311.0054.43MOLA NATOM370CAPHEA 68−3.23710.85342.1391.0054.53MOLA CATOM371CBPHEA 68−1.86310.91241.4511.0053.20MOLA CATOM372CGPHEA 68−0.81510.05242.1021.0051.00MOLA CATOM373CD1PHEA 68−0.6498.70141.7081.0035.45MOLA CATOM374CE1PHEA 680.3337.89242.3071.0039.18MOLA CATOM375CZPHEA 681.1708.42743.3231.0032.97MOLA CATOM376CE2PHEA 680.9979.76943.7291.0033.22MOLA CATOM377CD2PHEA 680.00810.58143.1111.0026.34MOLA CATOM378CPHEA 68−4.22111.77341.4091.0055.29MOLA CATOM379OPHEA 68−5.30011.32940.9581.0054.38MOLA OATOM380NASPA 69−3.83413.04541.2901.0052.87MOLA NATOM381CAASPA 69−4.69214.03840.6921.0053.89MOLA CATOM382CBASPA 69−4.07715.40640.8541.0054.04MOLA CATOM383CGASPA 69−3.97415.81242.2931.0058.61MOLA CATOM384OD1ASPA 69−4.90515.48343.0711.0065.45MOLA OATOM385OD2ASPA 69−2.96716.46742.6461.0060.81MOLA OATOM386CASPA 69−4.96413.76239.2331.0054.83MOLA CATOM387OASPA 69−5.97214.20738.7011.0054.99MOLA OATOM388NMETA 70−4.04213.05038.5931.0056.97MOLA NATOM389CAMETA 70−4.14212.60037.1901.0058.65MOLA CATOM390CBMETA 70−3.87213.71336.1771.0057.88MOLA CATOM391CGMETA 70−4.84214.87436.1671.0061.48MOLA CATOM392SDMETA 70−4.12116.31035.3151.0064.25MOLA SATOM393CEMETA 70−5.00217.65136.1561.0060.29MOLA CATOM394CMETA 70−3.02411.60437.0471.0057.42MOLA CATOM395OMETA 70−2.12511.55937.9051.0060.16MOLA OATOM396NVALA 71−3.05910.81335.9771.0053.63MOLA NATOM397CAVALA 71−2.0049.84635.7361.0050.66MOLA CATOM398CBVALA 71−2.3648.52336.3341.0051.34MOLA CATOM399CG1VALA 71−1.4537.42235.8051.0053.96MOLA CATOM400CG2VALA 71−2.3048.62737.8681.0051.71MOLA CATOM401CVALA 71−1.7299.72134.2561.0050.20MOLA CATOM402OVALA 71−2.6649.69133.4561.0051.99MOLA OATOM403NPHEA 72−0.4449.62933.9041.0048.39MOLA NATOM404CAPHEA 720.0049.79132.5211.0046.65MOLA CATOM405CBPHEA 720.84911.05532.4491.0047.30MOLA CATOM406CGPHEA 720.05012.30932.5451.0042.59MOLA CATOM407CD1PHEA 72−0.71812.72931.4761.0031.94MOLA CATOM408CE1PHEA 72−1.45313.84931.5621.0027.41MOLA CATOM409CZPHEA 72−1.42514.61032.7031.0021.76MOLA CATOM410CE2PHEA 72−0.64514.24533.7521.0033.80MOLA CATOM411CD2PHEA 720.08813.07933.6791.0040.21MOLA CATOM412CPHEA 720.7908.65831.8671.0046.24MOLA CATOM413OPHEA 721.9988.53632.0541.0047.90MOLA OATOM414NGLYA 730.1167.87831.0381.0045.76MOLA NATOM415CAGLYA 730.7316.72030.4011.0042.95MOLA CATOM416CGLYA 731.8667.06829.4641.0041.94MOLA CATOM417OGLYA 732.0968.23529.1771.0038.80MOLA OATOM418NALAA 742.5666.02529.0041.0043.17MOLA NATOM419CAALAA 743.6926.11328.0731.0041.56MOLA CATOM420CBALAA 744.2574.73727.8081.0040.49MOLA CATOM421CALAA 743.3026.76726.7621.0042.34MOLA CATOM422OALAA 744.1467.30526.0801.0047.47MOLA OATOM423NSERA 752.0286.69926.4061.0042.21MOLA NATOM424CASERA 751.4767.32825.2001.0041.05MOLA CATOM425CBSERA 750.1476.64624.9111.0041.80MOLA CATOM426OGSERA 75−0.6986.71826.0761.0045.62MOLA OATOM427CSERA 751.2428.86825.3361.0041.62MOLA CATOM428OSERA 750.9579.55824.3511.0042.30MOLA OATOM429NTHRA 761.3619.39426.5571.0040.05MOLA NATOM430CATHRA 761.13110.80126.8681.0038.26MOLA CATOM431CBTHRA 761.24610.99028.4071.0039.98MOLA CATOM432OG1THRA 760.5279.95229.1061.0037.10MOLA OATOM433CG2THRA 760.72012.35928.8361.0048.53MOLA CATOM434CTHRA 762.07111.81926.1531.0038.50MOLA CATOM435OTHRA 763.21512.01326.5771.0040.11MOLA OATOM436NLYSA 771.58212.46725.0901.0037.62MOLA NATOM437CALYSA 772.30313.54224.3431.0036.51MOLA CATOM438CBLYSA 771.49314.01223.1191.0039.25MOLA CATOM439CGLYSA 771.45313.06121.9061.0040.06MOLA CATOM440CDLYSA 772.86112.82721.3111.0065.35MOLA CATOM441CELYSA 772.93411.60020.3701.0058.71MOLA CATOM442NZLYSA 772.10311.76619.1261.0066.12MOLA NATOM443CLYSA 772.63714.79125.1671.0033.47MOLA CATOM444OLYSA 772.05215.01626.2271.0033.02MOLA OATOM445NGLNA 783.57915.60024.6731.0030.73MOLA NATOM446CAGLNA 784.01016.81625.3811.0029.06MOLA CATOM447CBGLNA 785.05617.56624.5721.0027.93MOLA CATOM448CGGLNA 786.39716.83424.4411.0022.53MOLA CATOM449CDGLNA 787.05916.65725.8071.0035.07MOLA CATOM450OE1GLNA 786.36816.55526.8311.0041.40MOLA OATOM451NE2GLNA 788.39916.64525.8361.0012.74MOLA NATOM452CGLNA 782.79717.68925.5951.0031.71MOLA CATOM453OGLNA 782.36617.92026.7111.0034.94MOLA OATOM454NILEA 792.21518.13524.4981.0032.28MOLA NATOM455CAILEA 791.01218.94224.5261.0031.64MOLA CATOM456CBILEA 790.47019.07723.0841.0033.48MOLA CATOM457CG1ILEA 79−0.53720.21422.9711.0022.98MOLA CATOM458CD1ILEA 79−0.47120.87821.6421.0039.14MOLA CATOM459CG2ILEA 79−0.09117.71722.5761.0032.41MOLA CATOM460CILEA 79−0.11818.45425.4691.0033.14MOLA CATOM461OILEA 79−0.87019.27426.0191.0034.17MOLA OATOM462NASPA 80−0.29317.15125.6471.0031.81MOLA NATOM463CAASPA 80−1.36916.74226.5431.0035.16MOLA CATOM464CBASPA 80−1.68415.25826.4491.0036.74MOLA CATOM465CGASPA 80−2.08714.85225.0421.0048.30MOLA CATOM466OD1ASPA 80−2.94815.56024.4471.0042.90MOLA OATOM467OD2ASPA 80−1.53213.84224.5311.0058.71MOLA OATOM468CASPA 80−1.00117.15927.9501.0035.58MOLA CATOM469OASPA 80−1.80017.82628.6111.0037.78MOLA OATOM470NVALA 810.21416.81128.3811.0035.11MOLA NATOM471CAVALA 810.79917.32329.6401.0034.11MOLA CATOM472CBVALA 812.31517.12829.7031.0031.75MOLA CATOM473CG1VALA 812.86617.94530.8411.0018.64MOLA CATOM474CG2VALA 812.66515.68329.8691.0024.76MOLA CATOM475CVALA 810.62318.83429.8011.0037.32MOLA CATOM476OVALA 810.17219.30930.8591.0036.85MOLA OATOM477NTYRA 821.01119.57928.7651.0037.69MOLA NATOM478CATYRA 820.83221.01528.7861.0041.95MOLA CATOM479CBTYRA 821.35521.62727.5291.0043.90MOLA CATOM480CGTYRA 821.37423.10427.6351.0040.97MOLA CATOM481CD1TYRA 820.33523.86327.1471.0034.29MOLA CATOM482CE1TYRA 820.36725.25627.2291.0044.06MOLA CATOM483CZTYRA 821.45625.86827.8371.0054.46MOLA CATOM484OHTYRA 821.52327.23627.9691.0053.26MOLA OATOM485CE2TYRA 822.49325.10928.3361.0056.67MOLA CATOM486CD2TYRA 822.44323.74528.2351.0049.72MOLA CATOM487CTYRA 82−0.62021.46328.9661.0043.88MOLA CATOM488OTYRA 82−0.94222.11029.9471.0046.87MOLA OATOM489NARGA 83−1.51421.13528.0411.0044.58MOLA NATOM490CAARGA 83−2.91121.48728.2741.0042.25MOLA CATOM491CBARGA 83−3.85520.81127.2891.0043.66MOLA CATOM492CGARGA 83−3.75021.32725.8671.0045.82MOLA CATOM493CDARGA 83−4.95320.88425.0311.0050.18MOLA CATOM494NEARGA 83−4.85521.38023.6601.0056.03MOLA NATOM495CZARGA 83−4.54520.63022.6031.0068.39MOLA CATOM496NH1ARGA 83−4.47121.18521.3981.0064.85MOLA NATOM497NH2ARGA 83−4.32219.32222.7401.0071.57MOLA NATOM498CARGA 83−3.29921.07429.6621.0039.55MOLA CATOM499OARGA 83−3.83121.88430.3851.0042.58MOLA OATOM500NSERA 84−3.00219.83030.0341.0035.43MOLA NATOM501CASERA 84−3.50119.22631.2791.0035.97MOLA CATOM502CBSERA 84−3.19317.74631.3171.0034.58MOLA CATOM503OGSERA 84−3.75217.08030.1991.0048.74MOLA OATOM504CSERA 84−2.92519.75232.5521.0037.49MOLA CATOM505OSERA 84−3.58719.75533.5741.0040.00MOLA OATOM506NVALA 85−1.66620.15232.5241.0038.99MOLA NATOM507CAVALA 85−1.04220.67833.7281.0036.11MOLA CATOM508CBVALA 850.27019.97433.9941.0035.34MOLA CATOM509CG1VALA 850.86720.46735.2721.0031.99MOLA CATOM510CG2VALA 850.01818.49834.0671.0028.68MOLA CATOM511CVALA 85−0.80022.17533.6621.0037.17MOLA CATOM512OVALA 85−1.32622.91034.4691.0038.48MOLA OATOM513NVALA 86−0.02722.62332.6831.0038.21MOLA NATOM514CAVALA 860.41424.01732.6101.0039.70MOLA CATOM515CBVALA 861.48224.19831.5011.0040.77MOLA CATOM516CG1VALA 862.07625.63631.5121.0044.86MOLA CATOM517CG2VALA 862.57823.17831.6871.0044.96MOLA CATOM518CVALA 86−0.66025.10232.4691.0039.59MOLA CATOM519OVALA 86−0.46326.21332.9791.0038.33MOLA OATOM520NCYSA 87−1.77324.80231.7951.0040.58MOLA NATOM521CACYSA 87−2.82125.82231.5451.0041.68MOLA CATOM522CBCYSA 87−3.86825.28930.6301.0039.88MOLA CATOM523SGCYSA 87−3.28825.36629.0071.0058.99MOLA SATOM524CCYSA 87−3.53426.34632.7621.0041.06MOLA CATOM525OCYSA 87−3.50327.54133.0421.0041.73MOLA OATOM526NPROA 88−4.20525.46133.4901.0039.96MOLA NATOM527CAPROA 88−4.82926.06034.6221.0039.03MOLA CATOM528CBPROA 88−5.14824.86335.5111.0039.01MOLA CATOM529CGPROA 88−5.41923.77034.5471.0037.95MOLA CATOM530CDPROA 88−4.44224.01133.4141.0040.73MOLA CATOM531CPROA 88−3.80526.95135.2921.0038.64MOLA CATOM532OPROA 88−4.11528.07435.6461.0043.82MOLA OATOM533NILEA 89−2.57726.48935.4241.0034.95MOLA NATOM534CAILEA 89−1.60627.24336.2151.0032.10MOLA CATOM535CBILEA 89−0.40726.36136.5691.0031.60MOLA CATOM536CG1ILEA 89−0.84125.36837.6291.0022.93MOLA CATOM537CD1ILEA 890.19324.41637.9531.0034.44MOLA CATOM538CG2ILEA 890.78927.19437.0271.0022.29MOLA CATOM539CILEA 89−1.13328.53435.5831.0032.62MOLA CATOM540OILEA 89−0.91229.52536.2581.0034.43MOLA OATOM541NLEUA 90−0.93228.53534.2881.0035.12MOLA NATOM542CALEUA 90−0.44029.74933.6901.0037.48MOLA CATOM543CBLEUA 90−0.16429.54532.2051.0036.04MOLA CATOM544CGLEUA 900.18730.81831.4521.0033.67MOLA CATOM545CD1LEUA 901.39831.43632.0831.0033.98MOLA CATOM546CD2LEUA 900.41530.53229.9551.0032.85MOLA CATOM547CLEUA 90−1.51430.80433.9591.0043.12MOLA CATOM548OLEUA 90−1.20131.93234.3911.0043.62MOLA OATOM549NASPA 91−2.78130.40333.7521.0046.15MOLA NATOM550CAASPA 91−3.95431.26034.0301.0047.09MOLA CATOM551CBASPA 91−5.27630.47733.9811.0043.27MOLA CATOM552CGASPA 91−5.67830.09432.5691.0048.93MOLA CATOM553OD1ASPA 91−5.09730.63631.5931.0049.60MOLA OATOM554OD2ASPA 91−6.57229.23032.4261.0055.58MOLA OATOM555CASPA 91−3.83332.02335.3541.0048.72MOLA CATOM556OASPA 91−4.28433.16435.4411.0051.78MOLA OATOM557NGLUA 92−3.23431.41236.3751.0047.87MOLA NATOM558CAGLUA 92−3.03432.12937.6121.0048.99MOLA CATOM559CBGLUA 92−2.54231.21038.7301.0048.60MOLA CATOM560CGGLUA 92−3.50130.10439.1601.0055.91MOLA CATOM561CDGLUA 92−4.73330.60339.8911.0071.20MOLA CATOM562OE1GLUA 92−5.54131.33039.2721.0082.67MOLA OATOM563OE2GLUA 92−4.90930.24241.0741.0070.69MOLA OATOM564CGLUA 92−2.00733.21437.3381.0049.38MOLA CATOM565OGLUA 92−2.33134.40737.2751.0048.76MOLA OATOM566NVALA 93−0.76732.78437.1471.0049.81MOLA NATOM567CAVALA 930.32933.69636.9071.0049.80MOLA CATOM568CBVALA 931.46232.98936.1531.0049.16MOLA CATOM569CG1VALA 932.49933.97135.6991.0050.34MOLA CATOM570CG2VALA 932.09731.91637.0311.0050.14MOLA CATOM571CVALA 93−0.16934.93736.1591.0051.49MOLA CATOM572OVALA 930.22236.05436.4791.0051.00MOLA OATOM573NILEA 94−1.05234.74635.1821.0054.11MOLA NATOM574CAILEA 94−1.64135.87934.4521.0055.74MOLA CATOM575CBILEA 94−2.55235.43333.2721.0055.43MOLA CATOM576CG1ILEA 94−1.98434.21932.5311.0059.62MOLA CATOM577CD1ILEA 94−1.20434.55731.2621.0053.03MOLA CATOM578CG2ILEA 94−2.76536.59232.2861.0053.97MOLA CATOM579CILEA 94−2.47736.78735.3781.0056.89MOLA CATOM580OILEA 94−2.41638.01535.2731.0055.78MOLA OATOM581NMETA 95−3.26136.19036.2751.0056.86MOLA NATOM582CAMETA 95−4.11236.98237.1371.0059.87MOLA CATOM583CBMETA 95−5.14736.10937.8261.0057.65MOLA CATOM584CGMETA 95−6.08535.39336.8581.0064.70MOLA CATOM585SDMETA 95−7.28234.31037.6991.0075.30MOLA SATOM586CEMETA 95−7.58632.98436.4951.0064.04MOLA CATOM587CMETA 95−3.26037.73238.1501.0058.17MOLA CATOM588OMETA 95−3.75138.60538.8561.0060.31MOLA OATOM589NGLNA 96−1.97537.39938.2181.0056.67MOLA NATOM590CAGLYA 96−1.04538.13539.0721.0053.77MOLA CATOM591CGLYA 96−0.38537.29740.1401.0051.51MOLA CATOM592OGLYA 960.44637.78340.8831.0048.17MOLA OATOM593NTYRA 97−0.73036.01840.1801.0052.81MOLA NATOM594CATYRA 97−0.28135.12441.2511.0054.09MOLA CATOM595CBTYRA 97−1.35234.06741.5221.0055.16MOLA CATOM596CGTYRA 97−2.67934.71741.8681.0056.43MOLA CATOM597CD1TYRA 97−2.83035.43643.0621.0042.62MOLA CATOM598CE1TYRA 97−4.03036.04843.3901.0053.02MOLA CATOM599CZTYRA 97−5.11035.95642.5231.0063.26MOLA CATOM600OHTYRA 97−6.30536.57042.8551.0062.55MOLA OATOM601CE2TYRA 97−4.99135.24541.3201.0067.21MOLA CATOM602CD2TYRA 97−3.77434.63340.9971.0055.73MOLA CATOM603CTYRA 971.11234.50541.1011.0053.51MOLA CATOM604OTYRA 971.93334.94540.2911.0053.78MOLA OATOM605NASNA 981.39233.48341.8861.0052.06MOLA NATOM606CAASNA 982.77233.06941.9711.0053.49MOLA CATOM607CBASNA 983.39733.84843.1101.0052.81MOLA CATOM608CGASNA 984.80834.16342.8591.0057.14MOLA CATOM609OD1ASNA 985.13835.29042.4971.0062.02MOLA OATOM610ND2ASNA 985.67133.16943.0141.0065.17MOLA NATOM611CASNA 982.96431.57042.1781.0053.30MOLA CATOM612OASNA 982.89331.09143.3091.0054.91MOLA OATOM613NCYSA 993.22930.84341.0921.0051.06MOLA NATOM614CACYSA 993.19929.39541.1301.0050.30MOLA CATOM615CBCYSA 992.19228.92740.1191.0050.34MOLA CATOM616SGCYSA 990.72329.93640.1921.0062.07MOLA SATOM617CCYSA 994.49628.70540.8141.0050.00MOLA CATOM618OCYSA 995.35529.23440.1161.0051.74MOLA OATOM619NTHRA 1004.61827.47741.2871.0048.44MOLA NATOM620CATHRA 1005.80326.71940.9841.0045.61MOLA CATOM621CBTHRA 1006.67326.66842.2331.0047.07MOLA CATOM622OG1THRA 1006.54527.92842.9131.0050.20MOLA OATOM623CG2THRA 1008.13226.40741.8861.0035.79MOLA CATOM624CTHRA 1005.40925.33240.5141.0043.98MOLA CATOM625OTHRA 1004.49124.73741.0711.0044.89MOLA OATOM626NILEA 1016.06224.85339.4541.0041.05MOLA NATOM627CAILEA 1015.92723.45839.0001.0038.77MOLA CATOM628CBILEA 1015.48223.37037.5271.0037.52MOLA CATOM629CG1ILEA 1014.23524.21037.2761.0038.99MOLA CATOM630CD1ILEA 1013.45023.76936.0141.0015.62MOLA CATOM631CG2ILEA 1015.15121.94437.1491.0029.83MOLA CATOM632CILEA 1017.25722.68539.1391.0038.81MOLA CATOM633OILEA 1018.32123.22038.8121.0039.15MOLA OATOM634NPHEA 1027.22521.43839.6161.0037.39MOLA NATOM635CAPHEA 1028.45920.62439.5511.0035.85MOLA CATOM636CBPHEA 1029.03920.27240.9131.0034.61MOLA CATOM637CGPHEA 1028.63421.16242.0321.0036.45MOLA CATOM638CD1PHEA 1029.58921.90142.7211.0046.95MOLA CATOM639CE1PHEA 1029.23922.71243.8041.0037.78MOLA CATOM640CZPHEA 1027.94122.76244.2161.0031.30MOLA CATOM641CE2PHEA 1026.96922.01543.5421.0044.83MOLA CATOM642CD2PHEA 1027.32521.21242.4601.0040.93MOLA CATOM643CPHEA 1028.27619.27938.8741.0034.47MOLA CATOM644OPHEA 1027.17418.75938.7601.0033.56MOLA OATOM645NALAA 1039.40218.70838.4701.0035.68MOLA NATOM646CAALAA 1039.48517.32038.0181.0035.99MOLA CATOM647CBALAA 1039.97717.23836.6301.0031.85MOLA CATOM648CALAA 10310.47316.63538.9511.0038.60MOLA CATOM649OALAA 10311.54317.19039.2471.0037.70MOLA OATOM650NTYRA 10410.11515.44539.4261.0039.92MOLA NATOM651CATYRA 10410.97314.71940.3431.0042.19MOLA CATOM652CBTYRA 10410.48114.97641.7671.0043.62MOLA CATOM653CGTYRA 10410.92913.99342.8451.0049.92MOLA CATOM654CD1TYRA 10410.39712.69042.9041.0028.93MOLA CATOM655CE1TYRA 10410.79011.81043.8931.0045.72MOLA CATOM656CZTYRA 10411.70912.21944.8731.0055.12MOLA CATOM657OHTYRA 10412.09811.32645.8681.0056.15MOLA OATOM658CE2TYRA 10412.24013.51144.8461.0049.72MOLA CATOM659CD2TYRA 10411.84314.38843.8401.0050.10MOLA CATOM660CTYRA 10410.93713.23439.9951.0042.13MOLA CATOM661OTYRA 1049.90912.74439.5281.0043.93MOLA OATOM662NGLYA 10512.05112.52840.2061.0040.20MOLA NATOM663CAGLYA 10512.09611.08239.9721.0034.55MOLA CATOM664CGLYA 10513.47710.43339.8481.0032.26MOLA CATOM665OGLYA 10514.50010.97940.2591.0026.09MOLA OATOM666NGLNA 10613.5029.22639.3071.0032.57MOLA NATOM667CAGLNA 10614.7688.57339.0481.0034.08MOLA CATOM668CBGLNA 10614.5187.10438.8501.0033.69MOLA CATOM669CGGLNA 10615.7166.33838.4531.0028.87MOLA CATOM670CDGLNA 10615.3544.91638.1501.0035.09MOLA CATOM671OE1GLNA 10614.1714.55938.0561.0037.52MOLA OATOM672NE2GLNA 10616.3664.08637.9791.0039.63MOLA NATOM673CGLNA 10615.4369.15237.7981.0034.32MOLA CATOM674OGLNA 10614.7489.45336.8111.0035.34MOLA OATOM675NTHRA 10716.7529.31937.8111.0030.02MOLA NATOM676CATHRA 10717.3759.80036.5831.0032.17MOLA CATOM677CBTHRA 10718.9049.85736.6451.0031.21MOLA CATOM678OG1THRA 10719.30811.03937.3421.0041.15MOLA OATOM679CG2THRA 10719.4589.91935.2231.0028.05MOLA CATOM680CTHRA 10716.9998.94235.3721.0031.85MOLA CATOM681OTHRA 10717.0597.70335.4361.0033.54MOLA OATOM682NGLYA 10816.6349.61234.2801.0030.52MOLA NATOM683CAGLYA 10816.2708.95033.0361.0032.51MOLA CATOM684CGLYA 10814.8058.57332.9391.0034.51MOLA CATOM685OGLYA 10814.4227.73232.1391.0039.38MOLA OATOM686NTHRA 10913.9679.16933.7611.0032.91MOLA NATOM687CATHRA 10912.5568.91433.6571.0033.67MOLA CATOM688CBTHRA 10911.9928.55535.0091.0033.34MOLA CATOM689OG1THRA 10911.5849.74835.6841.0036.18MOLA OATOM690CG2THRA 10913.0677.87835.8221.0038.09MOLA CATOM691CTHRA 10911.88410.18033.1331.0034.70MOLA CATOM692OTHRA 10910.71910.44833.4151.0035.90MOLA OATOM693NGLYA 11012.65210.99232.4171.0034.52MOLA NATOM694CAGLYA 11012.07812.08231.6741.0033.33MOLA CATOM695CGLYA 11011.67913.34332.3851.0031.78MOLA CATOM696OGLYA 11010.70213.98831.9971.0030.36MOLA OATOM697NLYSA 11112.45713.71433.3911.0032.09MOLA NATOM698CALYSA 11112.29815.00534.0491.0030.94MOLA CATOM699CBLYSA 11113.32915.16535.1501.0031.09MOLA CATOM700CGLYSA 11112.93514.59836.4921.0029.98MOLA CATOM701CDLYSA 11114.15314.61137.3701.0027.11MOLA CATOM702CELYSA 11114.97313.35837.2571.0032.97MOLA CATOM703NZLYSA 11114.59812.49038.4071.0032.09MOLA NATOM704CLYSA 11112.53716.10533.0461.0031.61MOLA CATOM705OLYSA 11111.62116.87032.7051.0032.58MOLA OATOM706NTHRA 11213.78316.17832.5701.0029.46MOLA NATOM707CATHRA 11214.15917.23831.6531.0025.95MOLA CATOM708CBTHRA 11215.69817.32931.4311.0024.53MOLA CATOM709OG1THRA 11216.35017.49632.7021.0032.58MOLA OATOM710CG2THRA 11216.08418.49530.5431.002.00MOLA CATOM711CTHRA 11213.35717.12230.3591.0029.83MOLA CATOM712OTHRA 11212.98718.15129.7551.0035.34MOLA OATOM713NPHEA 11313.06415.89729.9291.0027.54MOLA NATOM714CAPHEA 11312.24115.74028.7391.0027.65MOLA CATOM715CBPHEA 11311.87014.28528.5131.0024.75MOLA CATOM716CGPHEA 11311.00414.06527.3181.0022.45MOLA CATOM717CD1PHEA 11311.56413.99926.0421.0024.43MOLA CATOM718CE1PHEA 11310.74913.81024.9111.0027.65MOLA CATOM719CZPHEA 1139.36113.66025.0741.0017.35MOLA CATOM720CE2PHEA 1138.80513.71326.3501.0012.49MOLA CATOM721CD2PHEA 1139.62213.93027.4581.0020.05MOLA CATOM722CPHEA 11310.95616.56628.9241.0030.23MOLA CATOM723OPHEA 11310.58617.38128.0731.0029.41MOLA OATOM724NTHRA 11410.29016.34530.0561.0031.57MOLA NATOM725CATHRA 1149.02416.98430.3361.0030.22MOLA CATOM726CBTHRA 1148.47916.57331.6961.0026.87MOLA CATOM727OG1THRA 1148.29915.16031.7061.0028.52MOLA OATOM728CG2THRA 1147.14217.23731.9251.0024.43MOLA CATOM729CTHRA 1149.20118.46730.4061.0032.12MOLA CATOM730OTHRA 1148.38719.23829.8701.0035.90MOLA OATOM731NMETA 11510.25918.88131.0851.0029.83MOLA NATOM732CAMETA 11510.32520.26731.4171.0026.52MOLA CATOM733C8META 11511.07320.47232.6951.0024.20MOLA CATOM734CGMETA 11510.49921.59433.4521.0021.17MOLA CATOM735SDMETA 1159.09320.91334.3061.0050.71MOLA SATOM736CEMETA 1158.76822.02835.6781.0035.67MOLA CATOM737CMETA 11510.90521.10530.3051.0027.47MOLA CATOM738OMETA 11510.61622.28730.2261.0029.77MOLA OATOM739NGLUA 11611.69420.50629.4251.0026.76MOLA NATOM740CAGLUA 11612.29921.28728.3521.0026.47MOLA CATOM741CBGLUA 11613.81621.40728.5901.0025.94MOLA CATOM742CGGLUA 11614.23721.61930.0721.0023.10MOLA CATOM743CDGLUA 11615.76221.78230.2511.0029.16MOLA CATOM744OE1GLUA 11616.20622.01331.4081.0050.08MOLA OATOM745OE2GLUA 11616.52521.64829.2571.0015.18MOLA OATOM746CGLUA 11611.99720.69926.9551.0026.80MOLA CATOM747OGLUA 11611.93521.42425.9681.0023.64MOLA OATOM748NGLYA 11711.84719.37226.8821.0027.97MOLA NATOM749CAGLYA 11711.56018.68425.6331.0028.38MOLA CATOM750CGLYA 11712.74418.67924.7001.0030.59MOLA CATOM751OGLYA 11713.87218.84825.1411.0029.46MOLA OATOM752NGLUA 11812.49918.45323.4101.0035.46MOLA NATOM753CAGLUA 11813.58218.49622.4501.0041.18MOLA CATOM754CBGLUA 11814.22917.14522.2831.0041.50MOLA CATOM755CGGLUA 11815.00116.72523.4891.0042.95MOLA CATOM756CDGLUA 11815.18915.25423.5071.0037.17MOLA CATOM757OE1GLUA 11815.53414.75222.4171.0027.25MOLA OATOM758OE2GLUA 11814.98514.61824.5761.0037.36MOLA OATOM759CGLUA 11813.16719.00021.1141.0045.41MOLA CATOM760OGLUA 11811.98419.07620.8021.0046.63MOLA OATOM761NARGA 11914.19619.33920.3481.0051.78MOLA NATOM762CAARGA 11914.10619.83418.9911.0057.16MOLA CATOM763CBARGA 11915.46820.41618.6171.0055.94MOLA CATOM764CGARGA 11915.47421.50617.6151.0054.14MOLA CATOM765CDARGA 11915.01422.78518.2601.0054.59MOLA CATOM766NEARGA 11913.64223.06817.8871.0063.36MOLA NATOM767CZARGA 11913.30723.69316.7641.0065.54MOLA CATOM768NH1ARGA 11912.03923.91016.4821.0058.78MOLA NATOM769NH2ARGA 11914.24924.09115.9161.0072.78MOLA NATOM770CARGA 11913.87118.58418.1591.0061.53MOLA CATOM771OARGA 11914.76917.72618.0891.0062.56MOLA OATOM772NSERA 12012.68918.46017.5471.0065.13MOLA NATOM773CASERA 12012.40317.30216.6861.0068.37MOLA CATOM774CBSERA 12011.08617.45015.9301.0067.48MOLA CATOM775OGSERA 12010.01417.28116.8321.0064.35MOLA OATOM776CSERA 12013.57516.98815.7491.0072.26MOLA CATOM777OSERA 12014.03417.84314.9791.0073.37MOLA OATOM778NPROA 12114.06415.74415.8301.0075.66MOLA NATOM779CAPROA 12115.30615.27315.2071.0076.09MOLA CATOM780CBPROA 12115.44513.85415.7671.0077.22MOLA CATOM781CGPROA 12114.00513.42416.0541.0077.56MOLA CATOM782CDPROA 12113.35714.67016.5641.0075.47MOLA CATOM783CPROA 12115.23415.18713.7001.0076.02MOLA CATOM784OPROA 12114.84814.13713.1901.0076.23MOLA OATOM785NASNA 12215.60816.26013.0021.0076.21MOLA NATOM786CAASNA 12215.64216.27911.5121.0078.16MOLA CATOM787CBASNA 12216.07414.91510.9041.0078.34MOLA CATOM788CGASNA 12217.58714.63011.0661.0080.48MOLA CATOM789OD1ASNA 12218.44215.29010.4511.0073.49MOLA OATOM790ND2ASNA 12217.91013.62411.8781.0078.33MOLA NATOM791CASNA 12214.36816.83010.8221.0077.82MOLA CATOM792OASNA 12214.45117.4519.7401.0077.49MOLA OATOM793NGLUA 12313.20316.55911.4241.0076.89MOLA NATOM794CAGLUA 12311.95317.21111.0201.0075.13MOLA CATOM795CBGLUA 12310.74116.60111.7091.0074.51MOLA CATOM796CGGLUA 12310.37015.23511.1831.0072.03MOLA CATOM797CDGLUA 1238.87815.01711.1821.0072.82MOLA CATOM798OE1GLUA 1238.25615.21010.1071.0068.91MOLA OATOM799OE2GLUA 1238.32714.69012.2591.0071.09MOLA OATOM800CGLUA 12312.15818.64111.4531.0074.23MOLA CATOM801OGLUA 12312.80418.89012.4701.0075.28MOLA OATOM802NGLUA 12411.66719.60410.6981.0071.92MOLA NATOM803CAGLUA 12412.14020.93011.0091.0070.24MOLA CATOM804CBGLUA 12413.13021.4019.9381.0070.35MOLA CATOM805CGGLUA 12414.38420.5209.7991.0073.17MOLA CATOM806CDGLUA 12415.33020.60711.0031.0076.81MOLA CATOM807OE1GLUA 12415.65621.74611.4351.0073.96MOLA OATOM808OE2GLUA 12415.76019.53311.5001.0068.98MOLA OATOM809CGLUA 12411.05821.95311.2231.0069.24MOLA CATOM810OGLUA 12411.06822.99110.5581.0071.92MOLA OATOM811NTYRA 12510.13721.69012.1501.0064.93MOLA NATOM812CATYRA 1259.15622.70012.5001.0061.98MOLA CATOM813CBTYRA 1258.17322.16813.5181.0060.05MOLA CATOM814CGTYRA 1257.82620.71213.3941.0056.90MOLA CATOM815CD1TYRA 1256.49620.28913.5041.0040.52MOLA CATOM816CE1TYRA 1256.15518.94713.4351.0025.84MOLA CATOM817CZTYRA 1257.15317.99813.2291.0050.92MOLA CATOM818OHTYRA 1256.80916.64613.1321.0053.78MOLA OATOM819CE2TYRA 1258.49318.40413.0991.0049.97MOLA CATOM820CD2TYRA 1258.81519.75213.1831.0054.54MOLA CATOM821CTYRA 1259.93323.81113.1741.0061.48MOLA CATOM822OTYRA 12511.08723.59913.5591.0061.50MOLA OATOM823NTHRA 1269.32824.98813.3281.0061.27MOLA NATOM824CATHRA 1269.94826.02614.1671.0063.03MOLA CATOM825CBTHRA 1269.19427.36114.1401.0063.25MOLA CATOM826OG1THRA 1267.93427.18313.4761.0064.86MOLA OATOM827CG2THRA 12610.02628.44513.4471.0059.84MOLA CATOM828CTHRA 1269.96225.55815.6121.0063.76MOLA CATOM829OTHRA 1269.43924.48915.9341.0065.75MOLA OATOM830NTRPA 12710.54926.34116.5021.0062.83MOLA NATOM831CATRPA 12710.51125.92517.8821.0062.57MOLA CATOM832CBTRPA 12711.57026.64518.7051.0063.96MOLA CATOM833CGTRPA 12711.43628.11918.6751.0066.44MOLA CATOM834CD1TRPA 12712.01928.97417.7891.0065.78MOLA CATOM835NE1TRPA 12711.66430.26618.0871.0078.27MOLA NATOM836CE2TRPA 12710.83330.26619.1811.0075.72MOLA CATOM837CD2TRPA 12710.66728.92819.5791.0068.49MOLA CATOM838CE3TRPA 1279.85228.64820.6861.0070.43MOLA CATOM839CZ3TRPA 1279.23229.70321.3481.0069.09MOLA CATOM840CH2TRPA 1279.41031.02720.9221.0065.53MOLA CATOM841CZ2TRPA 12710.20631.33119.8461.0071.27MOLA CATOM842CTRPA 1279.08426.07518.4301.0061.10MOLA CATOM843OTRPA 1278.61625.19819.1531.0060.89MOLA OATOM844NGLUA 1288.38627.14818.0381.0061.13MOLA NATOM845CAGLUA 1286.98027.40718.4421.0060.92MOLA CATOM846CBGLUA 1286.36528.56517.6301.0060.09MOLA CATOM847CGGLUA 1286.94029.95917.8251.0063.61MOLA CATOM848CDGLUA 1288.03030.32216.8221.0077.42MOLA CATOM849OE1GLUA 1288.47531.49016.8401.0085.03MOLA OATOM850OE2GLUA 1288.44929.45816.0181.0083.23MOLA OATOM851CGLUA 1286.12626.19918.1111.0060.60MOLA CATOM852OGLUA 1285.11825.89818.7491.0061.80MOLA OATOM853NGLUA 1296.58325.51517.0841.0058.52MOLA NATOM854CAGLUA 1295.81824.58816.3191.0056.41MOLA CATOM855CBGLUA 1296.31224.81914.8841.0056.87MOLA CATOM856CGGLUA 1295.29924.70613.7851.0064.29MOLA CATOM857CDGLUA 1294.13825.63313.9951.0070.41MOLA CATOM858OE1GLUA 1293.57826.10212.9811.0069.77MOLA OATOM859OE2GLUA 1293.80025.89015.1751.0076.60MOLA OATOM860CGLUA 1296.08023.12316.7301.0055.46MOLA CATOM861OGLUA 1295.25922.23016.4721.0055.07MOLA OATOM862NASPA 1307.21622.88217.3811.0051.56MOLA NATOM863CAASPA 1307.73021.53017.5471.0048.19MOLA CATOM864CBASPA 1309.15621.61918.0531.0048.24MOLA CATOM865CGASPA 1309.90720.34717.8871.0043.77MOLA CATOM866OD1ASPA 13011.01020.40517.3171.0049.48MOLA OATOM867OD2ASPA 1309.41019.30218.3271.0046.43MOLA OATOM868CASPA 1306.89620.74918.5081.0047.68MOLA CATOM869OASPA 1306.60321.24419.5771.0051.23MOLA OATOM870NPROA 1316.46619.53618.1211.0047.74MOLA NATOM871CAPROA 1315.62018.63718.9531.0046.17MOLA CATOM872CBPROA 1315.25917.50517.9931.0045.49MOLA CATOM873CGPROA 1315.53418.06416.6101.0045.28MOLA CATOM874CDPROA 1316.72118.95916.7941.0046.78MOLA CATOM875CPROA 1316.31618.06820.1941.0045.47MOLA CATOM876OPROA 1315.66217.94121.2451.0045.60MOLA OATOM877NLEUA 1327.60717.71420.0541.0043.25MOLA NATOM878CALEUA 1328.48517.28621.1741.0040.91MOLA CATOM879CBLEUA 1329.78616.71920.6331.0037.25MOLA CATOM880CGLEUA 1329.85315.34519.9771.0035.16MOLA CATOM881CD1LEUA 13211.30415.08019.6281.0024.85MOLA CATOM882CD2LEUA 1329.31214.21620.8751.0016.69MOLA CATOM883CLEUA 1328.81518.41422.2121.0043.37MOLA CATOM884OLEUA 1329.32018.14923.3221.0043.09MOLA OATOM885NALAA 1338.52719.66521.8411.0042.08MOLA NATOM886CAALAA 1338.66920.81222.7351.0038.53MOLA CATOM887CBALAA 1337.85921.97522.2011.0037.88MOLA CATOM888CALAA 1338.17820.51424.1131.0036.19MOLA CATOM889OALAA 1337.03020.15424.2741.0035.70MOLA OATOM890NGLYA 1349.02220.72225.1131.0036.21MOLA NATOM891CAGLYA 1348.57320.64326.5241.0035.75MOLA CATOM892CGLYA 1347.82021.86827.0611.0033.83MOLA CATOM893OGLYA 1347.60422.88026.3591.0030.19MOLA OATOM894NILEA 1357.44221.76828.3321.0032.53MOLA NATOM895CAILEA 1356.73022.81829.0481.0029.60MOLA CATOM896CBILEA 1356.60622.48230.4991.0030.81MOLA CATOM897CG1ILEA 1355.60921.34530.6791.0027.10MOLA CATOM898CD1ILEA 1355.61320.81232.0611.0013.72MOLA CATOM899CG2ILEA 1356.16123.72531.2941.0025.97MOLA CATOM900CILEA 1357.38124.17729.0161.0031.72MOLA CATOM901OILEA 1356.74125.15328.5691.0034.54MOLA OATOM902NILEA 1368.61024.27529.5371.0028.56MOLA NATOM903CAILEA 1369.34925.55929.4831.0028.11MOLA CATOM904CBILEA 13610.86325.43429.8301.0027.26MOLA CATOM905CG1ILEA 13611.00925.17531.3241.0027.40MOLA CATOM906CD1ILEA 13612.41625.19631.8221.0025.50MOLA CATOM907CG2ILEA 13611.60426.73129.5171.0024.90MOLA CATOM908CILEA 1369.12726.39128.1861.0028.33MOLA CATOM909OILEA 1368.55927.48928.2511.0030.44MOLA OATOM910NPROA 1379.53225.88127.0111.0026.84MOLA NATOM911CAPROA 1379.32126.74725.8451.0027.34MOLA CATOM912CBPROA 13710.09626.02524.7421.0028.18MOLA CATOM913CGPROA 1379.95224.56825.0721.0023.64MOLA CATOM914CDPROA 13710.09224.57726.6231.0027.65MOLA CATOM915CPROA 1377.83026.85525.4401.0028.24MOLA CATOM916OPROA 1377.41027.88224.9061.0027.64MOLA OATOM917NARGA 1387.02825.81325.6631.0027.95MOLA NATOM918CAARGA 1385.61825.95125.3211.0030.50MOLA CATOM919CBARGA 1384.86024.68325.6421.0028.36MOLA CATOM920CGARGA 1385.02623.67724.5661.0026.19MOLA CATOM921CDARGA 1384.40922.36724.9301.0028.71MOLA CATOM922NEARGA 1384.78721.40623.9181.0029.74MOLA NATOM923CZARGA 1384.00020.97822.9391.0029.03MOLA CATOM924NH1ARGA 1382.74221.39522.8341.0036.95MOLA NATOM925NH2ARGA 1384.47720.09322.0661.0051.01MOLA NATOM926CARGA 1385.02227.15226.0731.0033.14MOLA CATOM927OARGA 1384.29327.98825.5241.0034.12MOLA OATOM928NTHRA 1395.38627.23927.3341.0033.02MOLA NATOM929CATHRA 1394.87628.25428.1831.0034.19MOLA CATOM930CBTHRA 1395.30727.94429.5861.0032.20MOLA CATOM931OG1THRA 1394.41026.96130.0991.0035.50MOLA OATOM932CG2THRA 1395.25629.17830.4461.0024.60MOLA CATOM933CTHRA 1395.32829.64527.7571.0038.01MOLA CATOM934OTHRA 1394.54530.58427.7911.0040.83MOLA OATOM935NLEUA 1406.57929.79927.3451.0039.26MOLA NATOM936CALEUA 1407.02931.12926.9761.0038.03MOLA CATOM937CBLEUA 1408.52431.13926.6171.0039.04MOLA CATOM938CGLEUA 1409.47231.45327.7871.0026.91MOLA CATOM939CD1LEUA 1408.84331.15429.0961.0025.82MOLA CATOM940CD2LEUA 14010.68330.64427.6421.0027.88MOLA CATOM941CLEUA 1406.13231.61925.8591.0039.51MOLA CATOM942OLEUA 1405.55032.70925.9601.0038.40MOLA OATOM943NHISA 1415.98030.77624.8311.0041.16MOLA NATOM944CAHISA 1415.05531.02123.7101.0042.59MOLA CATOM945CBHISA 1414.89129.74722.8641.0040.91MOLA CATOM946CGHISA 1414.45229.98821.4471.0043.27MOLA CATOM947ND1HISA 1413.21329.60920.9721.0042.50MOLA NATOM948CE1HISA 1413.11529.92619.6921.0036.73MOLA CATOM949NE2HISA 1414.24730.49319.3131.0035.42MOLA NATOM950CD2HISA 1415.10030.54420.3931.0053.75MOLA CATOM951CHISA 1413.69331.53724.2311.0043.82MOLA CATOM952OHISA 1413.41032.74924.1561.0044.22MOLA OATOM953NGLNA 1422.87330.64624.7951.0043.34MOLA NATOM954CAGLNA 1421.52131.04625.2461.0044.98MOLA CATOM955CBGLNA 1420.86929.98026.1371.0044.80MOLA CATOM956CGGLNA 1420.76928.65825.4461.0051.72MOLA CATOM957CDGLNA 1420.33728.82524.0191.0063.82MOLA CATOM958OE1GLNA 142−0.85029.01923.7521.0068.04MOLA OATOM959NE2GLNA 1421.29828.77523.0841.0053.20MOLA NATOM960CGLNA 1421.42632.41825.9111.0043.31MOLA CATOM961OGLNA 1420.47833.14925.6561.0045.91MOLA OATOM962NILEA 1432.38432.75526.7681.0041.57MOLA NATOM963CAILEA 1432.39034.05727.4131.0039.93MOLA CATOM964CBILEA 1433.64334.27728.3091.0042.38MOLA CATOM965CG1ILEA 1433.77633.19329.3911.0038.54MOLA CATOM966CD1ILEA 1435.03433.33130.2691.0031.04MOLA CATOM967CG2ILEA 1433.56035.61528.9921.0043.86MOLA CATOM968CILEA 1432.31235.11026.2961.0041.45MOLA CATOM969OILEA 1431.28735.78726.1191.0045.15MOLA OATOM970NPHEA 1443.35635.22825.4961.0036.89MOLA NATOM971CAPHEA 1443.25536.14624.3961.0035.06MOLA CATOM972CBPHEA 1444.45336.00923.5151.0033.81MOLA CATOM973CGPHEA 1445.65936.41824.2111.0040.91MOLA CATOM974CD1PHEA 1446.02137.74524.2431.0040.00MOLA CATOM975CE1PHEA 1447.11538.14624.9431.0026.43MOLA CATOM976CZPHEA 1447.81437.25625.6471.0025.71MOLA CATOM977CE2PHEA 1447.44335.92525.6691.0031.74MOLA CATOM978CD2PHEA 1446.36135.51424.9701.0039.47MOLA CATOM979CPHEA 1441.97736.01123.6091.0035.27MOLA CATOM980OPHEA 1441.41936.99623.1841.0035.51MOLA OATOM981NGLUA 1451.48434.80623.4181.0036.78MOLA NATOM982CAGLUA 1450.25734.70822.6621.0040.04MOLA CATOM983CBGLUA 145−0.04933.25622.2571.0038.62MOLA CATOM984CGGLUA 1451.04632.61521.3591.0048.44MOLA CATOM985CDGLUA 1450.83932.76819.8201.0067.68MOLA CATOM986OE1GLUA 145−0.31732.63219.3361.0077.39MOLA OATOM987OE2GLUA 1451.84932.97719.0901.0056.92MOLA OATOM988CGLUA 145−0.84135.42223.4871.0039.74MOLA CATOM989OGLUA 145−1.00736.62423.3641.0043.02MOLA OATOM990NLYSA 146−1.55134.71724.3431.0039.14MOLA NATOM991CALYSA 146−2.57235.33425.2161.0042.31MOLA CATOM992CBLYSA 146−2.67334.51226.4801.0039.79MOLA CATOM993CGLYSA 146−3.16833.13126.0971.0045.54MOLA CATOM994CDLYSA 146−2.38732.05626.7861.0032.47MOLA CATOM995CELYSA 146−2.51932.24628.2761.0045.03MOLA CATOM996NZLYSA 146−3.93432.59128.6251.0038.63MOLA NATOM997CLYSA 146−2.51236.85525.5501.0043.05MOLA CATOM998OLYSA 146−3.48137.56625.2971.0043.15MOLA OATOM999NLEUA 147−1.40237.35226.1041.0042.49MOLA NATOM1000CALEUA 147−1.28838.78526.4231.0039.93MOLA CATOM1001CBLEUA 147−0.06439.08127.3101.0038.65MOLA CATOM1002CGLEUA 147−0.08338.29328.6341.0039.31MOLA CATOM1003CD1LEUA 1470.90438.78429.6891.0034.41MOLA CATOM1004CD2LEUA 147−1.47738.25829.2481.0050.05MOLA CATOM1005CLEUA 147−1.32539.65825.1561.0040.42MOLA CATOM1006OLEUA 147−2.08340.64825.0921.0040.15MOLA OATOM1007NTHRA 148−0.52139.29624.1531.0039.36MOLA NATOM1008CATHRA 148−0.62139.95022.8591.0037.52MOLA CATOM1009CBTHRA 1480.13839.21321.7681.0037.25MOLA CATOM1010OG1THRA 1481.42539.81321.5801.0037.69MOLA OATOM1011CG2THRA 148−0.60339.32520.4891.0034.59MOLA CATOM1012CTHRA 148−2.07439.93922.4771.0037.96MOLA CATOM1013OTHRA 148−2.65940.98922.3141.0038.57MOLA OATOM1014NASPA 149−2.67338.75522.3751.0038.78MOLA NATOM1015CAASPA 149−4.06038.64821.9601.0039.62MOLA CATOM1016CBASPA 149−4.60137.26222.1941.0039.68MOLA CATOM1017CGASPA 149−5.98037.07621.5891.0046.58MOLA CATOM1018OD1ASPA 149−6.84536.47022.2601.0049.38MOLA OATOM1019OD2ASPA 149−6.19937.54020.4391.0059.77MOLA OATOM1020CASPA 149−5.00739.62722.6411.0042.31MOLA CATOM1021OASPA 149−5.70440.36921.9481.0048.03MOLA OATOM1022NASNA 150−5.09039.64323.9701.0040.65MOLA NATOM1023CAASNA 150−6.04540.56224.5811.0041.42MOLA CATOM1024CBASNA 150−6.77739.92525.7611.0040.13MOLA CATOM1025CGASNA 150−5.97339.92627.0141.0047.01MOLA CATOM1026OD1ASNA 150−4.73939.87226.9821.0059.61MOLA OATOM1027ND2ASNA 150−6.66639.99628.1531.0050.95MOLA NATOM1028CASNA 150−5.43641.98124.8351.0043.96MOLA CATOM1029OASNA 150−6.00242.86825.5061.0040.96MOLA OATOM1030NGLYA 151−4.27442.18724.2371.0045.93MOLA NATOM1031CAGLYA 151−3.74643.52024.1071.0048.24MOLA CATOM1032CGLYA 151−2.86143.91325.2441.0049.62MOLA CATOM1033OGLYA 151−1.83244.54225.0241.0049.64MOLA OATOM1034NTHRA 152−3.24543.52226.4561.0050.25MOLA NATOM1035CATHRA 152−2.49643.90827.6531.0049.74MOLA CATOM1036CBTHRA 152−2.30142.74028.5731.0049.50MOLA CATOM1037OG1THRA 152−3.58242.24328.9821.0052.18MOLA OATOM1038CG2THRA 152−1.49843.18029.7871.0051.51MOLA CATOM1039CTHRA 152−1.12144.48227.3561.0049.43MOLA CATOM1040OTHRA 152−0.54244.27826.2941.0049.64MOLA OATOM1041NGLUA 153−0.59145.21728.3061.0050.27MOLA NATOM1042CAGLUA 1530.70845.80128.1161.0052.77MOLA CATOM1043CBGLUA 1530.63047.28728.4491.0054.16MOLA CATOM1044CGGLUA 1531.92948.05028.3491.0054.39MOLA CATOM1045CDGLUA 1531.76849.44428.8831.0050.59MOLA CATOM1046OE1GLUA 1531.98450.38228.1061.0058.28MOLA OATOM1047OE2GLUA 1531.39249.60630.0671.0050.00MOLA OATOM1048CGLUA 1531.58845.05629.0941.0053.91MOLA CATOM1049OGLUA 1531.39345.16830.3211.0054.63MOLA OATOM1050NPHEA 1542.54344.28528.5681.0053.35MOLA NATOM1051CAPHEA 1543.33843.37829.4211.0052.36MOLA CATOM1052CBPHEA 1542.76941.95329.3521.0052.70MOLA CATOM1053CGPHEA 1542.80541.33527.9641.0056.20MOLA CATOM1054CD1PHEA 1543.66640.28527.6761.0058.84MOLA CATOM1055CE1PHEA 1543.69739.71726.4071.0062.87MOLA CATOM1056CZPHEA 1542.85940.19725.4021.0062.99MOLA CATOM1057CE2PHEA 1541.99541.23425.6731.0060.70MOLA CATOM1058CD2PHEA 1541.96841.79826.9521.0060.65MOLA CATOM1059CPHEA 1544.82343.33529.1131.0049.85MOLA CATOM1060OPHEA 1545.20643.27727.9551.0051.22MOLA OATOM1061NSERA 1555.65543.37330.1481.0047.17MOLA NATOM1062CASERA 1557.08143.12229.9781.0044.48MOLA CATOM1063CBSERA 1557.90744.19030.6681.0045.28MOLA CATOM1064OGSERA 1557.64344.19432.0671.0048.51MOLA OATOM1065CSERA 1557.39741.75530.5871.0042.64MOLA CATOM1066OSERA 1556.95341.43331.7021.0043.08MOLA OATOM1067NVALA 1568.16940.96029.8551.0039.40MOLA NATOM1068CAVALA 1568.53139.60130.2721.0036.95MOLA CATOM1069CBVALA 1568.09538.61929.1751.0035.98MOLA CATOM1070CG1VALA 1568.57337.24829.4551.0023.39MOLA CATOM1071CG2VALA 1566.56538.66329.0061.0040.51MOLA CATOM1072CVALA 15610.03839.45530.4811.0036.70MOLA CATOM1073OVALA 15610.82239.74129.5661.0036.00MOLA OATOM1074NLYSA 15710.45239.02531.6691.0036.04MOLA NATOM1075CALYSA 15711.87938.81931.9111.0040.10MOLA CATOM1076CBLYSA 15712.45239.92032.8201.0041.15MOLA CATOM1077CGLYSA 15712.07839.81834.3091.0043.84MOLA CATOM1078CDLYSA 15712.44241.10835.0521.0044.81MOLA CATOM1079CELYSA 15712.01241.06236.5201.0051.02MOLA CATOM1080NZLYSA 15712.00542.43637.1281.0045.21MOLA NATOM1081CLYSA 15712.11937.44632.5021.0039.71MOLA CATOM1082OLYSA 15711.21936.93733.1761.0043.11MOLA OATOM1083NVALA 15813.30536.85232.2851.0038.05MOLA NATOM1084CAVALA 15813.58235.47632.8131.0038.44MOLA CATOM1085CBVALA 15813.31534.46631.7431.0035.61MOLA CATOM1086CG1VALA 15811.93234.66931.2171.0038.26MOLA CATOM1087CG2VALA 15814.30434.65430.6451.0031.90MOLA CATOM1088CVALA 15814.97735.12633.4151.0040.53MOLA CATOM1089OVALA 15816.00935.55932.9081.0042.08MOLA OATOM1090NSERA 15915.00534.31534.4731.0040.72MOLA NATOM1091CASERA 15916.27933.92035.0881.0043.10MOLA CATOM1092CBSERA 15916.31834.43836.5041.0043.43MOLA CATOM1093OGSERA 159.15.13133.99337.1481.0046.97MOLA OATOM1094CSERA 15916.42132.41135.1881.0043.20MOLA CATOM1095OSERA 15915.52931.75235.6781.0045.99MOLA OATOM1096NLEUA 16017.54231.86034.7671.0042.19MOLA NATOM1097CALEUA 16017.76630.44134.9531.0044.35MOLA CATOM1098CBLEUA 16017.87329.71433.6241.0046.01MOLA CATOM1099CGLEUA 16018.45828.31933.8171.0046.96MOLA CATOM1100CD1LEUA 16017.43227.42434.4911.0045.08MOLA CATOM1101CD2LEUA 16018.88527.75232.5021.0045.00MOLA CATOM1102CLEUA 16019.02330.14035.7571.0046.06MOLA CATOM1103OLEUA 16020.14730.49935.3711.0046.39MOLA OATOM1104NLEUA 16118.82829.44836.8661.0044.74MOLA NATOM1105CALEUA 16119.92729.14337.7211.0045.55MOLA CATOM1106CBLEUA 16119.86229.98638.9821.0044.78MOLA CATOM1107CGLEUA 16118.86029.52440.0361.0040.96MOLA CATOM1108CD1LEUA 16119.35428.30240.7521.0042.59MOLA CATOM1109CD2LEUA 16118.66830.62141.0061.0029.68MOLA CATOM1110CLEUA 16119.88427.67538.0761.0049.54MOLA CATOM1111OLEUA 16118.94326.95537.7391.0052.44MOLA OATOM1112NGLUA 16220.88927.25338.8271.0050.94MOLA NATOM1113CAGLUA 16221.11625.85839.0591.0049.73MOLA CATOM1114CBGLUA 16222.16325.45538.0311.0049.64MOLA CATOM1115CGGLUA 16222.32124.00437.6741.0050.95MOLA CATOM1116CDGLUA 16223.58123.83936.8501.0062.13MOLA CATOM1117OE1GLUA 16224.01022.69736.5621.0077.52MOLA OATOM1118OE2GLUA 16224.16324.88836.5031.0058.50MOLA OATOM1119CGLUA 16221.62525.72740.4951.0047.97MOLA CATOM1120OGLUA 16222.28226.61541.0081.0046.53MOLA OATOM1121NILEA 16321.30224.63141.1501.0047.37MOLA NATOM1122CAILEA 16321.70824.44742.5211.0049.03MOLA CATOM1123CBILEA 16320.47224.23343.4341.0048.35MOLA CATOM1124CG1ILEA 16319.83025.56343.7841.0045.58MOLA CATOM1125CD1ILEA 16318.56425.39244.5941.0045.92MOLA CATOM1126CG2ILEA 16320.83023.49444.7321.0048.78MOLA CATOM1127CILEA 16322.59023.22742.6171.0051.67MOLA CATOM1128OILEA 16322.09022.12042.8811.0053.11MOLA OATOM1129NTYRA 16423.89523.39242.4091.0053.09MOLA NATOM1130CATYRA 16424.78322.23742.5841.0054.93MOLA CATOM1131CBTYRA 16425.82022.08741.4561.0056.40MOLA CATOM1132CGTYRA 16426.72420.87641.6631.0061.65MOLA CATOM1133CD1TYRA 16427.90620.98842.4011.0066.15MOLA CATOM1134CE1TYRA 16428.73219.88442.6201.0070.93MOLA CATOM1135CZTYRA 16428.38318.65142.0981.0070.56MOLA CATOM1136OHTYRA 16429.21717.57642.3321.0070.12MOLA OATOM1137CE2TYRA 16427.20918.50841.3561.0065.07MOLA CATOM1138CD2TYRA 16426.38619.61741.1481.0059.47MOLA CATOM1139CTYRA 16425.45822.21343.9571.0055.14MOLA CATOM1140OTYRA 16426.40922.96444.2161.0055.05MOLA OATOM1141NASNA 16524.96321.35144.8411.0055.31MOLA NATOM1142CAASNA 16525.62021.17846.1181.0054.82MOLA CATOM1143CBASNA 16527.11521.05845.8701.0053.34MOLA CATOM1144CGASNA 16527.79720.18746.8681.0056.57MOLA CATOM1145OD1ASNA 16527.15019.54147.7031.0056.19MOLA OATOM1146ND2ASNA 16529.12820.14146.7851.0064.19MOLA NATOM1147CASNA 16525.37122.39946.9571.0054.81MOLA CATOM1148OASNA 16526.30522.98847.5001.0054.56MOLA OATOM1149NGLUA 16624.11322.81447.0041.0056.39MOLA NATOM1150CAGLUA 16623.71124.00947.7481.0057.66MOLA CATOM1151CBGLUA 16623.82823.72249.2361.0056.61MOLA CATOM1152CGGLUA 16622.57524.04649.9821.0069.15MOLA CATOM1153CDGLUA 16622.35623.12351.1561.0090.11MOLA CATOM1154OE1GLUA 16623.33622.45451.5601.0095.72MOLA OATOM1155OE2GLUA 16621.20723.06251.6621.0095.49MOLA OATOM1156CGLUA 16624.47525.30647.3411.0057.33MOLA CATOM1157OGLUA 16624.60826.24648.1121.0058.47MOLA OATOM1158NGLUA 16724.97625.34446.1161.0057.02MOLA NATOM1159CAGLUA 16725.63026.52645.5741.0055.44MOLA CATOM1160CBGLUA 16727.09726.24545.2611.0055.11MOLA CATOM1161CGGLUA 16727.97526.24646.5061.0059.42MOLA CATOM1162CDGLUA 16729.23125.40646.3221.0067.51MOLA CATOM1163OE1GLUA 16730.18325.87945.6631.0041.20MOLA OATOM1164OE2GLUA 16729.26024.26046.8421.0081.16MOLA OATOM1165CGLUA 16724.87326.94144.3191.0053.74MOLA CATOM1166OGLUA 16724.24026.10943.6461.0055.47MOLA OATOM1167NLEUA 16824.90728.22744.0071.0048.22MOLA NATOM1168CALEUA 16824.07728.70542.9441.0043.66MOLA CATOM1169CBLEUA 16823.28329.89243.4111.0039.63MOLA CATOM1170CGLEUA 16822.04429.60144.2241.0040.18MOLA CATOM1171CD1LEUA 16822.24628.57945.3131.0025.07MOLA CATOM1172CD2LEUA 16821.57730.92144.8191.0059.69MOLA CATOM1173CLEUA 16824.92829.16041.8321.0044.61MOLA CATOM1174OLEUA 16825.94629.79242.0811.0046.40MOLA OATOM1175NPHEA 16924.50728.85640.6071.0044.16MOLA NATOM1176CAPHEA 16925.13129.41839.4171.0046.16MOLA CATOM1177CBPHEA 16925.94628.34938.6811.0043.78MOLA CATOM1178CGPHEA 16926.86427.56539.5791.0045.53MOLA CATOM1179CD1PHEA 16926.35426.65240.5011.0050.25MOLA CATOM1180CE1PHEA 16927.20325.92741.3501.0040.02MOLA CATOM1181CZPHEA 16928.56226.10741.2681.0039.73MOLA CATOM1182CE2PHEA 16929.07927.01040.3561.0040.03MOLA CATOM1183CD2PHEA 16928.23427.73039.5141.0042.08MOLA CATOM1184CPHEA 16924.05730.07138.5041.0049.18MOLA CATOM1185OPHEA 16923.04529.44438.1421.0049.83MOLA OATOM1186NASPA 17024.25531.34038.1651.0050.05MOLA NATOM1187CAASPA 17023.36431.98437.2111.0051.63MOLA CATOM1188CBASPA 17023.45833.51437.2711.0052.38MOLA CATOM1189CGASPA 17022.99334.19235.9871.0056.43MOLA CATOM1190OD1ASPA 17022.35033.54535.1231.0060.81MOLA OATOM1191OD2ASPA 17023.28035.39635.8501.0061.75MOLA OATOM1192CASPA 17023.77631.48335.8541.0051.55MOLA CATOM1193OASPA 17024.90531.72935.4031.0050.55MOLA OATOM1194NLEUA 17122.86830.75835.2091.0051.69MOLA NATOM1195CALEUA 17123.18930.17233.9161.0052.06MOLA CATOM1196CBLEUA 17122.38328.91033.6821.0050.87MOLA CATOM1197CGLEUA 17123.05227.89834.5911.0048.90MOLA CATOM1198CD1LEUA 17122.23526.64834.7321.0047.88MOLA CATOM1199CD2LEUA 17124.44427.61534.0411.0039.76MOLA CATOM1200CLEUA 17122.99931.14032.7921.0052.86MOLA CATOM1201OLEUA 17123.47330.89831.6901.0054.73MOLA OATOM1202NLEUA 17222.33432.25233.0801.0053.67MOLA NATOM1203CALEUA 17222.04733.23532.0491.0053.56MOLA CATOM1204CBLEUA 17220.65433.82532.2451.0054.21MOLA CATOM1205CGLEUA 17219.47333.15331.5531.0040.42MOLA CATOM1206CD1LEUA 17219.89632.68230.2041.0044.11MOLA CATOM1207CD2LEUA 17219.02432.02132.3621.0047.51MOLA CATOM1208CLEUA 17223.03634.37531.9531.0056.18MOLA CATOM1209OLEUA 17222.75635.33331.2431.0055.95MOLA OATOM1210NASNA 17324.17434.28432.6421.0059.14MOLA NATOM1211CAASNA 17325.13535.38732.6601.0062.83MOLA CATOM1212CBASNA 17325.61435.65434.0701.0062.50MOLA CATOM1213CGASNA 17326.40736.94134.1701.0064.05MOLA CATOM1214OD1ASNA 17326.91837.45933.1621.0057.68MOLA OATOM1215ND2ASNA 17326.51437.47035.3911.0049.06MOLA NATOM1216CASNA 17326.34235.21331.7461.0066.24MOLA CATOM1217OASNA 17327.06534.23131.8631.0067.15MOLA OATOM1218NPROA 17426.60336.21030.8791.0069.69MOLA NATOM1219CAPROA 17427.61836.07529.8231.0072.56MOLA CATOM1220CBPROA 17427.27637.21128.8451.0071.92MOLA CATOM1221CGPROA 17426.04037.88729.4081.0070.90MOLA CATOM1222CDPROA 17425.97437.53830.8541.0068.43MOLA CATOM1223CPROA 17429.04936.21830.3381.0075.69MOLA CATOM1224OPROA 17429.63135.23430.8181.0075.99MOLA OATOM1225NSERA 17529.61037.42330.2251.0078.98MOLA NATOM1226CASERA 17530.97437.69430.7131.0082.42MOLA CATOM1227CBSERA 17531.31039.20330.6581.0082.83MOLA CATOM1228OGSERA 17530.21440.01831.0471.0081.91MOLA OATOM1229CSERA 17531.17837.09032.1141.0083.15MOLA CATOM1230OSERA 17532.30936.98032.6201.0082.53MOLA OATOM1231NSERA 17630.05436.69532.7101.0084.47MOLA NATOM1232CASERA 17630.03235.95933.9581.0086.28MOLA CATOM1233CBSERA 17628.59235.74434.4111.0085.47MOLA CATOM1234OGSERA 17628.49034.67735.3301.0083.70MOLA OATOM1235CSERA 17630.71634.60733.8051.0088.15MOLA CATOM1236OSERA 17630.93034.10232.6911.0087.25MOLA OATOM1237NASPA 17731.05134.01834.9411.0090.51MOLA NATOM1238CAASPA 17731.73132.75034.9181.0092.97MOLA CATOM1239CBASPA 17733.02332.81035.7361.0093.30MOLA CATOM1240CGASPA 17734.12231.96935.1321.0093.08MOLA CATOM1241OD1ASPA 17734.28932.02633.8941.0087.69MOLA OATOM1242OD2ASPA 17734.82131.26535.8921.0094.93MOLA OATOM1243CASPA 17730.82731.65735.4461.0094.08MOLA CATOM1244OASPA 17729.79731.91336.0841.0094.19MOLA OATOM1245NVALA 17831.22030.42835.1501.0094.95MOLA NATOM1246CAVALA 17830.50829.27435.6401.0095.54MOLA CATOM1247CBVALA 17830.60328.09934.6581.0095.44MOLA CATOM1248CG1VALA 17829.52728.21033.5851.0095.78MOLA CATOM1249CG2VALA 17832.00228.02834.0501.0095.47MOLA CATOM1250CVALA 17831.11128.87636.9721.0095.81MOLA CATOM1251OVALA 17830.56028.02137.6691.0097.45MOLA OATOM1252NSERA 17932.23929.50037.3241.0094.31MOLA NATOM1253CASERA 17932.92529.21138.5891.0092.45MOLA CATOM1254CBSERA 17934.41329.57838.4891.0092.15MOLA CATOM1255OGSERA 17934.59430.94838.1731.0089.32MOLA OATOM1256CSERA 17932.26129.93239.7711.0091.48MOLA CATOM1257OSERA 17932.60929.71440.9441.0091.81MOLA OATOM1258NGLUA 18031.26130.74739.4461.0089.58MOLA NATOM1259CAGLUA 18030.69031.69940.3891.0087.43MOLA CATOM1260CBGLUA 18030.17632.91439.6081.0087.83MOLA CATOM1261CGGLUA 18030.36834.25640.2921.0087.37MOLA CATOM1262CDGLUA 18031.69134.89639.9261.0080.62MOLA CATOM1263OE1GLUA 18032.03935.92840.5441.0071.04MOLA OATOM1264OE2GLUA 18032.37234.36339.0181.0077.11MOLA OATOM1265CGLUA 18029.54631.15641.2261.0085.42MOLA CATOM1266OGLUA 18028.50130.79940.6801.0084.50MOLA OATOM1267NARGA 18129.74331.08342.5431.0083.53MOLA NATOM1268CAARGA 18128.60230.91743.4231.0083.08MOLA CATOM1269CBARGA 18128.99430.75744.9101.0084.25MOLA CATOM1270CGARGA 18129.26429.32245.4911.0090.67MOLA CATOM1271CDARGA 18130.75629.10445.9611.00102.59MOLA CATOM1272NEARGA 18130.89328.32147.2101.0096.38MOLA NATOM1273CZARGA 18132.04928.04647.8311.0088.58MOLA CATOM1274NH1ARGA 18133.20328.46547.3321.0083.57MOLA NATOM1275NH2ARGA 18132.05727.33848.9581.0083.56MOLA NATOM1276CARGA 18127.84932.24143.2331.0080.42MOLA CATOM1277OARGA 18128.39733.18642.6631.0078.55MOLA OATOM1278NLEUA 18226.59432.29443.6781.0078.36MOLA NATOM1279CALEUA 18225.83233.54743.7521.0075.76MOLA CATOM1280CBLEUA 18224.69033.60542.7411.0074.91MOLA CATOM1281CGLEUA 18225.08034.29141.4361.0070.76MOLA CATOM1282CD1LEUA 18223.87934.46340.5511.0052.74MOLA CATOM1283CD2LEUA 18225.70635.64841.7351.0079.24MOLA CATOM1284CLEUA 18225.30233.71745.1611.0075.42MOLA CATOM1285OLEUA 18225.03532.73545.8511.0075.70MOLA OATOM1286NGLNA 18325.14034.95645.6001.0074.54MOLA NATOM1287CAGLNA 18324.82135.15547.0011.0073.37MOLA CATOM1288CBGLNA 18325.69036.26247.6061.0074.32MOLA CATOM1289CGGLNA 18327.00435.70048.1671.0072.43MOLA CATOM1290CDGLNA 18326.76234.61649.2421.0070.85MOLA CATOM1291OE1GLNA 18326.52133.42848.9471.0031.15MOLA OATOM1292NE2GLNA 18326.82735.03550.5021.0083.81MOLA NATOM1293CGLNA 18323.34235.27147.3631.0072.88MOLA CATOM1294OGLNA 18322.51535.74546.5811.0072.49MOLA OATOM1295NMETA 18423.03134.79848.5651.0072.25MOLA NATOM1296CAMETA 18421.66234.71149.0211.0072.27MOLA CATOM1297CBMETA 18421.25733.24849.1061.0072.19MOLA CATOM1298CGMETA 18419.83932.98948.6851.0071.54MOLA CATOM1299SDMETA 18419.38231.26148.8751.0073.99MOLA SATOM1300CEMETA 18418.49531.26750.4461.0062.87MOLA CATOM1301CMETA 18421.48335.36550.3861.0073.15MOLA CATOM1302OMETA 18421.91534.81451.4101.0073.26MOLA OATOM1303NPHEA 18520.84036.53950.3801.0074.07MOLA NATOM1304CAPHEA 18520.53137.32951.5821.0073.27MOLA CATOM1305CBPHEA 18521.02538.77651.4251.0073.43MOLA CATOM1306CGPHEA 18522.46838.90150.9701.0071.06MOLA CATOM1307CD1PHEA 18522.77939.06449.6291.0078.36MOLA CATOM1308CE1PHEA 18524.10639.18549.2121.0081.94MOLA CATOM1309CZPHEA 18525.13739.15950.1411.0073.18MOLA CATOM1310CE2PHEA 18524.83839.00951.4691.0072.60MOLA CATOM1311CD2PHEA 18523.50438.88051.8831.0064.20MOLA CATOM1312CPHEA 18519.02337.33751.7551.0072.87MOLA CATOM1313OPHEA 18518.29737.37650.7581.0071.98MOLA OATOM1314NASPA 18618.53937.29952.9941.0073.55MOLA NATOM1315CAASPA 18617.09737.35353.1991.0075.57MOLA CATOM1316CBASPA 18616.71137.12054.6651.0076.28MOLA CATOM1317CGASPA 18615.22636.66854.8441.0082.20MOLA CATOM1318OD1ASPA 18614.29237.25254.2221.0084.62MOLA OATOM1319OD2ASPA 18614.99635.72555.6431.0085.45MOLA OATOM1320CASPA 18616.59538.70252.6721.0076.70MOLA CATOM1321OASPA 18617.39739.59252.3581.0077.33MOLA OATOM1322NASPA 18715.27438.85252.5711.0077.19MOLA NATOM1323CAASPA 18714.67639.99951.8881.0075.86MOLA CATOM1324CBASPA 18713.67339.50650.8531.0076.72MOLA CATOM1325CGASPA 18713.02840.62950.0961.0078.04MOLA CATOM1326OD1ASPA 18711.89440.41749.6181.0083.63MOLA OATOM1327OD2ASPA 18713.64841.71549.9791.0079.26MOLA OATOM1328CASPA 18714.00441.01452.8011.0074.92MOLA CATOM1329OASPA 18712.98340.70953.4361.0073.06MOLA OATOM1330NPROA 18814.58242.23452.8471.0074.31MOLA NATOM1331CAPROA 18814.14543.39153.6111.0073.29MOLA CATOM1332CBPROA 18815.18944.45153.2501.0073.49MOLA CATOM1333CGPROA 18816.40343.66252.9051.0072.66MOLA CATOM1334CDPROA 18815.82142.53652.1091.0074.34MOLA CATOM1335CPROA 18812.74143.85753.2421.0072.90MOLA CATOM1336OPROA 18811.95244.12754.1361.0072.66MOLA OATOM1337NARGA 18912.42643.95351.9541.0073.39MOLA NATOM1338CAARGA 18911.05744.29151.5321.0074.79MOLA CATOM1339CBARGA 18910.97944.56350.0181.0075.31MOLA CATOM1340CGARGA 18911.36845.99149.5661.0077.83MOLA CATOM1341CDARGA 18911.30846.15848.0231.0078.39MOLA CATOM1342NEARGA 18910.01545.78447.4211.0088.24MOLA NATOM1343CZARGA 1899.75945.74946.1061.0088.02MOLA CATOM1344NH1ARGA 18910.69846.06845.2121.0078.95MOLA NATOM1345NH2ARGA 1898.54945.39645.6761.0083.96MOLA NATOM1346CARGA 18910.03343.21351.9251.0074.29MOLA CATOM1347OARGA 1898.89743.53252.2751.0073.04MOLA OATOM1348NASNA 19010.44341.94451.8931.0075.57MOLA NATOM1349CAASNA 1909.50840.83652.1191.0077.09MOLA CATOM1350CBASNA 1909.14340.18550.7731.0077.27MOLA CATOM1351CGASNA 1908.06739.09550.8941.0081.63MOLA CATOM1352OD1ASNA 1907.47538.86351.9591.0089.21MOLA OATOM1353ND2ASNA 1907.80938.42649.7791.0083.54MOLA NATOM1354CASNA 1909.94639.75353.1121.0077.30MOLA CATOM1355OASNA 19011.14439.45553.2611.0076.92MOLA OATOM1356NLYSA 1918.93339.19453.7881.0077.35MOLA NATOM1357CALYSA 1919.05337.99654.6281.0076.57MOLA CATOM1358CBLYSA 1917.69937.66455.3021.0076.87MOLA CATOM1359CGLYSA 1917.54638.09856.7721.0076.75MOLA CATOM1360CDLYSA 1916.21837.60757.3811.0074.62MOLA CATOM1361CELYSA 1916.08937.95958.8651.0067.85MOLA CATOM1362NZLYSA 1916.10939.43959.1191.0053.57MOLA NATOM1363CLYSA 1919.50236.79253.7841.0074.98MOLA CATOM1364OLYSA 19110.70836.49953.6701.0074.95MOLA OATOM1365NARGA 1928.51636.11553.1891.0072.00MOLA NATOM1366CAARGA 1928.74834.93252.3581.0068.77MOLA CATOM1367CBARGA 1927.43634.44051.7211.0067.44MOLA CATOM1368CGARGA 1926.33435.48751.6111.0072.69MOLA CATOM1369CDARGA 1925.50235.32950.3071.0085.88MOLA CATOM1370NEARGA 1924.62634.15050.2751.0090.51MOLA NATOM1371CZARGA 1923.71833.90849.3271.0093.90MOLA CATOM1372NH1ARGA 1923.55334.75648.3151.0089.15MOLA NATOM1373NH2ARGA 1922.96632.81449.3911.0094.40MOLA NATOM1374CARGA 1929.89735.06451.3241.0066.37MOLA CATOM1375OARGA 19210.73934.18351.2211.0067.56MOLA OATOM1376NGLYA 1939.95936.17150.5951.0063.27MOLA NATOM1377CAGLYA 19311.01036.36849.5941.0059.32MOLA CATOM1378CGLYA 19312.45436.30450.0681.0056.48MOLA CATOM1379OGLYA 19312.73036.16551.2641.0054.89MOLA OATOM1380NVALA 19413.36036.44349.0971.0054.99MOLA NATOM1381CAVALA 19414.80936.27549.2391.0052.73MOLA CATOM1382CBVALA 19415.19734.80049.0971.0052.77MOLA CATOM1383CG1VALA 19416.59134.65848.4881.0052.56MOLA CATOM1384CG2VALA 19415.06334.04850.4301.0049.66MOLA CATOM1385CVALA 19415.45136.96048.0561.0053.25MOLA CATOM1386OVALA 19414.79137.14047.0421.0053.67MOLA OATOM1387NILEA 19516.73237.32248.1451.0053.84MOLA NATOM1388CAILEA 19517.40937.96346.9951.0053.01MOLA CATOM1389CBILEA 19517.79439.44747.2511.0054.44MOLA CATOM1390CG1ILEA 19516.56340.36047.3701.0048.69MOLA CATOM1391CD1ILEA 19516.89041.74747.9301.0049.87MOLA CATOM1392CG2ILEA 19518.71339.93646.1251.0055.61MOLA CATOM1393CILEA 19518.69237.27146.5791.0053.20MOLA CATOM1394OILEA 19519.52836.94047.4121.0054.09MOLA OATOM1395NILEA 19618.86637.09345.2801.0052.61MOLA NATOM1396CAILEA 19620.08836.50044.7831.0053.05MOLA CATOM1397CBILEA 19619.81635.37243.7811.0053.52MOLA CATOM1398CG1ILEA 19618.82834.38044.3771.0050.39MOLA CATOM1399CD1ILEA 19618.80633.09043.6201.0054.73MOLA CATOM1400CG2ILEA 19621.10934.63043.4191.0054.68MOLA CATOM1401CILEA 19620.95037.60344.1971.0052.96MOLA CATOM1402OILEA 19620.81137.99343.0451.0050.62MOLA OATOM1403NLYSA 19721.82938.11345.0421.0055.27MOLA NATOM1404CALYSA 19722.68839.21844.6921.0058.50MOLA CATOM1405CBLYSA 19723.67439.52045.8411.0059.17MOLA CATOM1406CGLYSA 19723.93741.02946.1251.0059.84MOLA CATOM1407CDLYSA 19723.28141.55947.4491.0054.71MOLA CATOM1408CELYSA 19721.79641.97447.3221.0061.26MOLA CATOM1409NZLYSA 19721.18942.52148.5921.0053.96MOLA NATOM1410CLYSA 19723.44638.85743.4231.0060.34MOLA CATOM1411OLYSA 19724.41738.08343.4591.0061.73MOLA OATOM1412NGLYA 19822.98639.39942.2961.0060.79MOLA NATOM1413CAGLYA 19823.68739.21541.0271.0060.10MOLA CATOM1414CGLYA 19822.90638.54439.9121.0059.98MOLA CATOM1415OGLYA 19823.20238.77638.7321.0061.27MOLA OATOM1416NLEUA 19921.90337.73740.2821.0058.12MOLA NATOM1417CALEUA 19921.13736.90039.3391.0056.15MOLA CATOM1418CBLEUA 19919.98836.18740.0491.0055.40MOLA CATOM1419CGLEUA 19919.20035.24539.1281.0049.26MOLA CATOM1420CD1LEUA 19920.14134.38138.2731.0038.96MOLA CATOM1421CD2LEUA 19918.25534.40339.9471.0022.80MOLA CATOM1422CLEUA 19920.58637.56738.0761.0056.93MOLA CATOM1423OLEUA 19919.56938.26338.1281.0057.26MOLA OATOM1424NGLUA 20021.24037.30036.9461.0056.38MOLA NATOM1425CAGLUA 20020.81737.81735.6641.0056.40MOLA CATOM1426CBGLUA 20021.67437.23334.5611.0056.68MOLA CATOM1427CGGLUA 20021.64538.04933.2991.0058.71MOLA CATOM1428CDGLUA 20022.43639.33233.4351.0059.80MOLA CATOM1429OE1GLUA 20022.60039.83334.5671.0067.10MOLA OATOM1430OE2GLUA 20022.89839.84332.4001.0062.18MOLA OATOM1431CGLUA 20019.36537.46535.3931.0057.01MOLA CATOM1432OGLUA 20018.91036.36335.7061.0058.18MOLA OATOM1433NGLUA 20118.64638.40534.7951.0057.40MOLA NATOM1434CAGLUA 20117.22738.23534.5281.0057.79MOLA CATOM1435CBGLUA 20116.38538.99735.5621.0057.18MOLA CATOM1436CGGLUA 20116.38638.48237.0121.0056.96MOLA CATOM1437CDGLUA 20115.49339.34237.9111.0057.11MOLA CATOM1438OE1GLUA 20115.51740.57537.7381.0063.52MOLA OATOM1439OE2GLUA 20114.76438.81338.7761.0039.62MOLA OATOM1440CGLUA 20116.92338.81133.1571.0058.76MOLA CATOM1441OGLUA 20116.33239.88833.0601.0061.76MOLA OATOM1442NILEA 20217.29038.11832.0881.0056.79MOLA NATOM1443CAILEA 20217.11438.73330.7861.0056.72MOLA CATOM1444CBILEA 20217.68037.88129.6701.0056.66MOLA CATOM1445CG1ILEA 20219.09137.42130.0371.0057.03MOLA CATOM1446CD1ILEA 20219.64536.36029.1301.0044.59MOLA CATOM1447CG2ILEA 20217.69938.67528.3761.0059.05MOLA CATOM1448CILEA 20215.66339.10830.4971.0057.36MOLA CATOM1449OILEA 20214.73838.44330.9641.0057.87MOLA OATOM1450NTHRA 20315.48740.19929.7531.0057.48MOLA NATOM1451CATHRA 20314.17740.63629.2921.0056.80MOLA CATOM1452CBTHRA 20314.11242.17029.1301.0056.65MOLA CATOM1453OG1THRA 20313.62642.74530.3451.0053.59MOLA OATOM1454CG2THRA 20313.17142.57027.9761.0046.33MOLA CATOM1455CTHRA 20313.88639.98027.9561.0059.13MOLA CATOM1456OTHRA 20314.78939.87527.1111.0058.72MOLA OATOM1457NVALA 20412.63639.53627.7791.0060.00MOLA NATOM1458CAVALA 20412.18838.88426.5431.0061.06MOLA CATOM1459CBVALA 20411.38737.61126.8021.0059.23MOLA CATOM1460CG1VALA 20411.26636.83925.5341.0055.83MOLA CATOM1461CG2VALA 20412.05936.76127.8251.0063.34MOLA CATOM1462CVALA 20411.25139.80625.8211.0063.66MOLA CATOM1463OVALA 20410.06239.88026.1591.0064.25MOLA OATOM1464NHISA 20511.77340.50324.8171.0065.26MOLA NATOM1465CAHISA 20511.00541.56924.1731.0065.81MOLA CATOM1466CBHISA 20511.94542.52223.4281.0065.96MOLA CATOM1467CGHISA 20513.01243.10924.3051.0065.23MOLA CATOM1468ND1HISA 20514.16742.43024.6291.0062.38MOLA NATOM1469CE1HISA 20514.91643.18025.4171.0062.41MOLA CATOM1470NE2HISA 20514.28244.31925.6261.0065.89MOLA NATOM1471CD2HISA 20513.08744.29824.9441.0064.74MOLA CATOM1472CHISA 2059.86141.04123.3051.0066.80MOLA CATOM1473OHISA 2058.75941.59723.3361.0067.76MOLA OATOM1474NASNA 20610.12239.94922.5841.0066.76MOLA NATOM1475CAASNA 2069.15539.26121.7201.0066.55MOLA CATOM1476CBASNA 2069.45939.62320.2801.0066.43MOLA CATOM1477CGASNA 20610.94639.44919.9391.0073.57MOLA CATOM1478OD1ASNA 20611.79639.36520.8351.0083.93MOLA OATOM1479ND2ASNA 20611.26239.39318.6471.0075.10MOLA NATOM1480CASNA 2069.38137.76921.8871.0066.71MOLA CATOM1481OASNA 20610.26337.37422.6361.0067.83MOLA OATOM1482NLYSA 2078.62536.91121.2191.0065.79MOLA NATOM1483CALYSA 2079.11435.54421.1541.0065.95MOLA CATOM1484CBLYSA 2078.12134.62320.4991.0064.57MOLA CATOM1485CGLYSA 2076.82834.52121.2221.0066.67MOLA CATOM1486CDLYSA 2075.85133.74520.3681.0078.97MOLA CATOM1487CELYSA 2075.67034.40618.9911.0079.00MOLA CATOM1488NZLYSA 2076.97434.62918.2921.0080.22MOLA NATOM1489CLYSA 20710.33335.66020.2681.0066.93MOLA CATOM1490OLYSA 20710.70436.76619.9101.0067.75MOLA OATOM1491NASPA 20810.94734.54119.8931.0069.31MOLA NATOM1492CAASPA 20812.08734.53518.9481.0071.07MOLA CATOM1493CBASPA 20811.83535.44317.7461.0071.90MOLA CATOM1494CGASPA 20810.75534.92016.8441.0079.56MOLA CATOM1495OD1ASPA 2089.77935.67116.6221.0082.68MOLA OATOM1496OD2ASPA 20810.87233.75916.3781.0088.98MOLA OATOM1497CASPA 20813.38334.96819.5791.0070.75MOLA CATOM1498OASPA 20814.45434.48119.2221.0072.29MOLA OATOM1499NGLUA 20913.28935.94120.4701.0069.71MOLA NATOM1500CAGLUA 20914.42736.32821.2641.0067.75MOLA CATOM1501CBGLUA 20914.21837.73621.8181.0068.26MOLA CATOM1502CGGLUA 20915.39038.28422.6031.0075.22MOLA CATOM1503CDGLUA 20915.03639.55523.3461.0084.21MOLA CATOM1504OE1GLUA 20914.19440.32822.8271.0075.22MOLA OATOM1505OE2GLUA 20915.60539.77324.4441.0094.29MOLA OATOM1506CGLUA 20914.53335.26022.3671.0063.94MOLA CATOM1507OGLUA 20915.60935.04822.9521.0063.72MOLA OATOM1508NVALA 21013.40534.58422.6191.0058.87MOLA NATOM1509CAVALA 21013.34933.45823.5591.0054.30MOLA CATOM1510CBVALA 21011.91632.91223.7711.0052.71MOLA CATOM1511CG1VALA 21011.03033.34022.6541.0055.14MOLA CATOM1512CG2VALA 21011.92831.38423.9351.0045.57MOLA CATOM1513CVALA 21014.26632.33623.1211.0052.18MOLA CATOM1514OVALA 21015.20031.97423.8311.0050.81MOLA OATOM1515NTYRA 21114.02231.79821.9411.0051.26MOLA NATOM1516CATYRA 21114.86130.71621.4911.0050.18MOLA CATOM1517CBTYRA 21114.58430.36320.0401.0048.21MOLA CATOM1518CGTYRA 21115.37729.17519.5821.0046.75MOLA CATOM1519CD1TYRA 21116.66229.34119.0351.0049.00MOLA CATOM1520CE1TYRA 21117.42028.23718.6071.0053.26MOLA CATOM1521CZTYRA 21116.89726.94818.7361.0053.12MOLA CATOM1522OHTYRA 21117.66425.87118.3251.0053.01MOLA OATOM1523CE2TYRA 21115.61926.75519.2781.0048.74MOLA CATOM1524CD2TYRA 21114.86427.87319.7001.0041.83MOLA CATOM1525CTYRA 21116.37430.92821.7741.0051.58MOLA CATOM1526OTYRA 21117.04429.97022.1781.0052.38MOLA OATOM1527NGLNA 21216.93032.13921.6251.0051.92MOLA NATOM1528CAGLNA 21218.37632.27621.9191.0051.34MOLA CATOM1529CBGLNA 21218.93133.66221.7091.0050.64MOLA CATOM1530CGGLNA 21219.34133.94320.3321.0051.72MOLA CATOM1531CDGLNA 21218.20134.50519.6101.0062.20MOLA CATOM1532OE1GLNA 21217.06734.43620.0991.0072.97MOLA OATOM1533NE2GLNA 21218.45935.10218.4481.0074.08MOLA NATOM1534CGLNA 21218.66131.93023.3411.0052.52MOLA CATOM1535OGLNA 21219.44631.04123.6241.0055.89MOLA OATOM1536NILEA 21318.04732.67324.2451.0052.40MOLA NATOM1537CAILEA 21318.16432.39125.6621.0051.15MOLA CATOM1538CBILEA 21316.99033.03226.4101.0052.30MOLA CATOM1539CG1ILEA 21317.46234.31527.0961.0058.58MOLA CATOM1540CD1ILEA 21316.35135.35627.3251.0075.32MOLA CATOM1541CG2ILEA 21316.39332.07627.4221.0055.87MOLA CATOM1542CILEA 21318.23730.88825.9181.0047.80MOLA CATOM1543OILEA 21319.21930.40426.4711.0046.00MOLA OATOM1544NLEUA 21417.21530.15425.4801.0045.71MOLA NATOM1545CALEUA 21417.15728.71325.7201.0042.79MOLA CATOM1546CBLEUA 21415.89428.08025.1211.0041.71MOLA CATOM1547CGLEUA 21414.63928.68525.7881.0037.56MOLA CATOM1548CD1LEUA 21413.38127.84625.6521.0015.00MOLA CATOM1549CD2LEUA 21414.90928.89927.2451.0028.22MOLA CATOM1550CLEUA 21418.43728.03325.2721.0042.75MOLA CATOM1551OLEUA 21418.90027.11925.9461.0042.76MOLA OATOM1552NGLUA 21519.03228.49524.1691.0042.10MOLA NATOM1553CAGLUA 21520.36728.01223.7681.0042.47MOLA CATOM1554CBGLUA 21520.76028.53222.4151.0040.29MOLA CATOM1555CGGLUA 21520.48527.58721.3021.0048.53MOLA CATOM1556CDGLUA 21520.79928.21419.9761.0062.44MOLA CATOM1557OE1GLUA 21520.38629.38819.7821.0071.58MOLA OATOM1558OE2GLUA 21521.45527.54219.1431.0065.51MOLA OATOM1559CGLUA 21521.42828.44324.7501.0043.21MOLA CATOM1560OGLUA 21521.98627.61825.4481.0043.70MOLA OATOM1561NLYSA 21621.68629.74624.8001.0045.78MOLA NATOM1562CALYSA 21622.62330.34525.7541.0049.55MOLA CATOM1563CBLYSA 21622.21131.79026.1011.0051.47MOLA CATOM1564CGLYSA 21622.55032.91225.0851.0056.78MOLA CATOM1565CDLYSA 21622.39534.31625.7601.0055.05MOLA CATOM1566CELYSA 21622.91535.47624.8811.0061.58MOLA CATOM1567NZLYSA 21622.17635.68523.5851.0071.01MOLA NATOM1568CLYSA 21622.70129.54027.0551.0048.38MOLA CATOM1569OLYSA 21623.80029.12727.4881.0048.55MOLA OATOM1570NGLYA 21721.52729.34627.6711.0046.21MOLA NATOM1571CAGLYA 21721.38828.59728.9171.0043.66MOLA CATOM1572CGLYA 21722.00827.22728.7641.0043.18MOLA CATOM1573OGLYA 21723.05926.93929.3441.0040.67MOLA OATOM1574NALAA 21821.37426.40127.9371.0043.23MOLA NATOM1575CAALAA 21821.85225.05827.6891.0043.19MOLA CATOM1576CBALAA 21821.23524.49226.4341.0043.91MOLA CATOM1577CALAA 21823.35725.09027.5701.0043.73MOLA CATOM1578OALAA 21824.04024.29428.2041.0046.28MOLA OATOM1579NALAA 21923.87626.01826.7741.0042.36MOLA NATOM1580CAALAA 21925.31626.14126.5811.0041.91MOLA CATOM1581CBALAA 21925.63927.26825.6391.0040.46MOLA CATOM1582CALAA 21926.01026.35127.9171.0043.49MOLA CATOM1583OALAA 21926.87125.55728.3081.0044.41MOLA OATOM1584NLYSA 22025.63327.39828.6391.0044.19MOLA NATOM1585CALYSA 22026.30927.65429.8971.0045.36MOLA CATOM1586CBLYSA 22025.83828.97530.5261.0046.26MOLA CATOM1587CGLYSA 22026.82929.51531.5811.0057.07MOLA CATOM1588CDLYSA 22026.80531.03931.8131.0051.86MOLA CATOM1589CELYSA 22027.35231.34733.2321.0064.64MOLA CATOM1590NZLYSA 22027.57432.79533.5751.0059.41MOLA NATOM1591CLYSA 22026.15626.44730.8331.0042.25MOLA CATOM1592OLYSA 22027.05026.12031.6051.0040.39MOLA OATOM1593NARGA 22125.02625.76230.7171.0042.67MOLA NATOM1594CAARGA 22124.74224.54531.4761.0043.12MOLA CATOM1595CBARGA 22123.48623.90330.9121.0042.23MOLA CATOM1596CGARGA 22123.08622.64131.6271.0048.01MOLA CATOM1597CDARGA 22121.87922.92132.4471.0044.15MOLA CATOM1598NEARGA 22120.79923.24031.5231.0052.54MOLA NATOM1599CZARGA 22119.55623.46531.8991.0046.98MOLA CATOM1600NH1ARGA 22119.24223.41433.1901.0045.06MOLA NATOM1601NH2ARGA 22118.64223.72830.9851.0051.88MOLA NATOM1602CARGA 22125.84723.52831.2991.0044.97MOLA CATOM1603OARGA 22126.38722.98932.2611.0043.68MOLA OATOM1604NTHRA 22226.11023.24430.0221.0047.71MOLA NATOM1605CATHRA 22227.15022.35429.5651.0048.26MOLA CATOM1606CBTHRA 22227.25922.42628.0491.0047.88MOLA CATOM1607OG1THRA 22226.08321.83027.4901.0047.71MOLA OATOM1608CG2THRA 22228.48521.68127.5491.0048.98MOLA CATOM1609CTHRA 22228.42722.78330.2121.0050.20MOLA CATOM1610OTHRA 22228.94322.07131.0691.0051.35MOLA OATOM1611NTHRA 22328.91023.95929.8161.0052.61MOLA NATOM1612CATHRA 22330.06924.60030.4441.0055.52MOLA CATOM1613CBTHRA 22330.12626.12330.1051.0057.16MOLA CATOM1614OG1THRA 22330.15926.31028.6731.0059.33MOLA OATOM1615CG2THRA 22331.35626.78330.7291.0056.06MOLA CATOM1616CTHRA 22330.06624.37031.9661.0056.50MOLA CATOM1617OTHRA 22331.11224.14332.5761.0055.53MOLA OATOM1618NALAA 22428.88224.40232.5751.0058.42MOLA NATOM1619CAALAA 22428.75724.03533.9831.0058.84MOLA CATOM1620CBALAA 22427.34624.25734.4941.0059.54MOLA CATOM1621CALAA 22429.13522.58234.1351.0058.56MOLA CATOM1622OALAA 22430.15822.26734.7221.0060.97MOLA OATOM1623NALAA 22528.32321.70133.5731.0058.13MOLA NATOM1624CAALAA 22528.53020.27433.7371.0059.04MOLA CATOM1625CBALAA 22527.62819.50132.7931.0058.62MOLA CATOM1626CALAA 22530.00919.85033.5901.0061.12MOLA CATOM1627OALAA 22530.50419.00934.3651.0060.71MOLA OATOM1628NTHRA 22630.72320.42932.6241.0061.54MOLA NATOM1629CATHRA 22632.14620.12632.4861.0063.47MOLA CATOM1630CBTHRA 22632.69720.60131.1841.0061.53MOLA CATOM1631OG1THRA 22631.80320.20830.1411.0066.84MOLA OATOM1632CG2THRA 22634.06319.97930.9581.0061.82MOLA CATOM1633CTHRA 22632.99420.72333.6221.0067.47MOLA CATOM1634OTHRA 22632.87120.28734.7771.0070.78MOLA OATOM1635NLEUA 22733.83121.72333.3151.0067.66MOLA NATOM1636CALEUA 22734.81222.25134.2911.0066.20MOLA CATOM1637CBLEUA 22735.29023.66733.9401.0066.60MOLA CATOM1638CGLEUA 22735.55124.24432.5401.0065.56MOLA CATOM1639CD1LEUA 22736.86025.03532.6541.0072.12MOLA CATOM1640CD2LEUA 22735.64123.21131.4201.0034.58MOLA CATOM1641CLEUA 22734.35522.22135.7591.0066.07MOLA CATOM1642OLEUA 22735.12921.87536.6551.0067.76MOLA OATOM1643NMETA 22833.11222.58536.0271.0064.56MOLA NATOM1644CAMETA 22832.65622.56737.4101.0063.34MOLA CATOM1645CBMETA 22831.51123.55737.6231.0064.01MOLA CATOM1646CGMETA 22831.94824.95738.0021.0066.85MOLA CATOM1647SDMETA 22833.52825.42637.2771.0071.44MOLA SATOM1648CEMETA 22834.65125.07638.6471.0073.15MOLA CATOM1649CMETA 22832.22421.19037.8391.0060.99MOLA CATOM1650OMETA 22832.34820.85439.0181.0062.12MOLA OATOM1651NASNA 22931.72920.40736.8771.0057.33MOLA NATOM1652CAASNA 22931.14819.07037.1031.0055.33MOLA CATOM1653CBASNA 22931.96618.19038.0511.0054.06MOLA CATOM1654CGASNA 22933.33517.80537.5081.0052.31MOLA CATOM1655OD1ASNA 22933.64617.91136.3061.0030.68MOLA OATOM1656ND2ASNA 22934.17417.33138.4201.0059.45MOLA NATOM1657CASNA 22929.77519.19337.6971.0054.89MOLA CATOM1658OASNA 22929.40318.42038.5751.0055.30MOLA OATOM1659NALAA 23029.02320.18437.2611.0054.90MOLA NATOM1660CAALAA 23027.65720.28537.7301.0056.83MOLA CATOM1661CBALAA 23027.10121.69337.4671.0059.38MOLA CATOM1662CALAA 23026.84719.22536.9891.0055.45MOLA CATOM1663OALAA 23025.98819.53836.1621.0056.85MOLA OATOM1664NTYRA 23127.12817.95737.2471.0053.13MOLA NATOM1665CATYRA 23126.45916.95236.4411.0048.28MOLA CATOM1666CBTYRA 23126.73015.52836.9301.0048.80MOLA CATOM1667CGTYRA 23128.19115.18836.8751.0041.10MOLA CATOM1668CD1TYRA 23128.89515.23735.6711.0041.92MOLA CATOM1669CE1TYRA 23130.24814.95035.6291.0052.66MOLA CATOM1670CZTYRA 23130.90214.60836.8161.0052.92MOLA CATOM1671OHTYRA 23132.24014.30836.8481.0044.91MOLA OATOM1672CE2TYRA 23130.20814.55838.0061.0053.39MOLA CATOM1673CD2TYRA 23128.86814.85138.0251.0037.28MOLA CATOM1674CTYRA 23125.00717.29236.5181.0045.49MOLA CATOM1675OTYRA 23124.46717.47737.6171.0045.30MOLA OATOM1676NSERA 23224.39117.43935.3551.0039.34MOLA NATOM1677CASERA 23222.96517.65635.3211.0038.72MOLA CATOM1678CBSERA 23222.43317.56333.8981.0038.02MOLA CATOM1679OGSERA 23223.43817.06833.0381.0045.94MOLA OATOM1680CSERA 23222.22216.70736.2521.0036.89MOLA CATOM1681OSERA 23221.47517.14537.1181.0039.02MOLA OATOM1682NSERA 23322.45415.41136.1061.0036.05MOLA NATOM1683CASERA 23321.72914.43236.8951.0035.00MOLA CATOM1684CBSERA 23322.40013.07736.7841.0035.43MOLA CATOM1685OGSERA 23323.72313.12437.3291.0052.54MOLA OATOM1686CSERA 23321.67314.85138.3421.0032.12MOLA CATOM1687OSERA 23320.75214.50439.0701.0031.73MOLA OATOM1688NARGA 23422.64815.65438.7251.0033.30MOLA NATOM1689CAARGA 23422.94415.90740.1341.0037.39MOLA CATOM1690CBARGA 23424.44415.66140.4011.0036.48MOLA CATOM1691CGARGA 23424.89414.24140.0411.0046.24MOLA CATOM1692CDARGA 23426.35913.89840.3901.0043.68MOLA CATOM1693NEARGA 23426.56312.45940.2511.0056.94MOLA NATOM1694CZARGA 23426.35111.57841.2341.0058.11MOLA CATOM1695NH1ARGA 23425.97011.99142.4361.0048.12MOLA NATOM1696NH2ARGA 23426.53010.28041.0231.0052.29MOLA NATOM1697CARGA 23422.50217.26240.7011.0034.82MOLA CATOM1698OARGA 23422.44817.41841.9071.0032.44MOLA OATOM1699NSERA 23522.18118.22439.8391.0035.51MOLA NATOM1700CASERA 23521.73319.54840.2971.0035.58MOLA CATOM1701CBSERA 23522.60220.66839.7161.0034.08MOLA CATOM1702OGSERA 23522.64620.60138.3111.0035.26MOLA OATOM1703CSERA 23520.26019.84940.0281.0035.70MOLA CATOM1704OSERA 23519.55819.08539.3571.0036.24MOLA OATOM1705NHISA 23619.81620.97340.5821.0036.60MOLA NATOM1706CAHISA 23618.45821.44240.4481.0039.31MOLA CATOM1707CBHISA 23617.93321.99941.7531.0038.49MOLA CATOM1708CGHISA 23617.76820.97942.8371.0045.76MOLA CATOM1709ND1HISA 23616.83719.96442.7711.0053.75MOLA NATOM1710CE1HISA 23616.88919.24643.8801.0050.54MOLA CATOM1711NE2HISA 23617.81719.76144.6671.0049.11MOLA NATOM1712CD2HISA 23618.37520.85344.0421.0049.64MOLA CATOM1713CHISA 23618.46122.55639.4541.0041.28MOLA CATOM1714OHISA 23619.28423.47439.5431.0042.92MOLA OATOM1715NSERA 23717.54122.47338.4941.0043.48MOLA NATOM1716CASERA 23717.41123.51637.5011.0043.56MOLA CATOM1717CBSERA 23717.46922.97736.0931.0042.41MOLA CATOM1718OGSERA 23717.62724.07935.2221.0046.38MOLA OATOM1719CSERA 23716.12724.28937.7331.0043.86MOLA CATOM1720OSERA 23715.01723.70537.7331.0045.28MOLA OATOM1721NVALA 23816.29925.60037.9541.0040.56MOLA NATOM1722CAVALA 23815.19426.46938.3101.0036.80MOLA CATOM1723CBVALA 23815.39927.12239.6351.0036.20MOLA CATOM1724CG1VALA 23814.05527.31340.2811.0032.63MOLA CATOM1725CG2VALA 23816.23826.23540.5041.0040.18MOLA CATOM1726CVALA 23815.08627.56137.3191.0035.49MOLA CATOM1727OVALA 23815.84528.52837.3651.0036.32MOLA OATOM1728NPHEA 23914.13827.38336.4141.0033.53MOLA NATOM1729CAPHEA 23913.87828.34835.3931.0034.51MOLA CATOM1730CBPHEA 23913.56827.65734.0801.0032.29MOLA CATOM1731CGPHEA 23913.39928.62132.9481.0036.81MOLA CATOM1732CD1PHEA 23912.21629.37932.8341.0031.95MOLA CATOM1733CE1PHEA 23912.05830.29931.7831.0042.09MOLA CATOM1734CZPHEA 23913.12330.50030.8411.0038.40MOLA CATOM1735CE2PHEA 23914.31429.75430.9701.0022.92MOLA CATOM1736CD2PHEA 23914.44428.83032.0281.0020.56MOLA CATOM1737CPHEA 23912.69429.22535.7991.0037.17MOLA CATOM1738OPHEA 23911.56028.72035.9461.0038.32MOLA OATOM1739NSERA 24012.94930.52635.9631.0036.63MOLA NATOM1740CASERA 24011.91631.44636.4741.0038.69MOLA CATOM1741CBSERA 24012.32232.06637.8141.0037.90MOLA CATOM1742OGSERA 24011.79531.30938.8951.0040.95MOLA OATOM1743CSERA 24011.50732.53335.5121.0037.76MOLA CATOM1744OSERA 24012.34933.23134.9291.0040.65MOLA OATOM1745NVALA 24110.20532.69535.3641.0036.07MOLA NATOM1746CAVALA 2419.71833.67334.4111.0038.52MOLA CATOM1747CBVALA 2419.07832.99533.2341.0038.47MOLA CATOM1748CG1VALA 2417.75632.37033.6811.0040.20MOLA CATOM1749CG2VALA 2418.89633.99132.0901.0036.83MOLA CATOM1750CVALA 2418.71834.60335.0751.0040.02MOLA CATOM1751OVALA 2417.75434.17835.6901.0041.08MOLA OATOM1752NTHRA 2428.97135.88534.9471.0042.18MOLA NATOM1753CATHRA 2428.24236.86235.6901.0045.09MOLA CATOM1754CBTHRA 2429.23037.65536.5351.0045.00MOLA CATOM1755OG1THRA 24210.49336.97336.5231.0050.62MOLA OATOM1756CG2THRA 2428.73237.79237.9551.0042.82MOLA CATOM1757CTHRA 2427.60537.78834.6801.0047.28MOLA CATOM1758OTHRA 2428.27838.30933.7601.0047.86MOLA OATOM1759NILEA 2436.30537.99034.8121.0047.93MOLA NATOM1760CAILEA 2435.67138.89433.8631.0051.27MOLA CATOM1761CBILEA 2435.04238.13232.6271.0051.73MOLA CATOM1762CG1ILEA 2434.38439.12331.6691.0056.20MOLA CATOM1763CD1ILEA 2432.97439.53232.0831.0066.74MOLA CATOM1764CG2ILEA 2434.06036.99433.0391.0047.93MOLA CATOM1765CILEA 2434.77239.98434.4891.0052.55MOLA CATOM1766OILEA 2433.79639.68635.2001.0051.67MOLA OATOM1767NHISA 2445.16041.24434.2361.0053.16MOLA NATOM1768CAHISA 2444.39942.42734.6631.0053.77MOLA CATOM1769CBHISA 2445.30143.65734.8941.0054.17MOLA CATOM1770CGHISA 2446.66543.35335.4501.0061.03MOLA CATOM1771ND1HISA 2447.43742.29035.0201.0069.65MOLA NATOM1772CE1HISA 2448.60142.31035.6471.0066.02MOLA CATOM1773NE2HISA 2448.62343.35936.4531.0059.88MOLA NATOM1774CD2HISA 2447.43044.03536.3401.0058.36MOLA CATOM1775CHISA 2443.36642.78333.5801.0052.17MOLA CATOM1776OHISA 2443.70842.97832.4001.0049.97MOLA OATOM1777NMETA 2452.11042.88734.0001.0051.26MOLA NATOM1778CAMETA 2450.99843.18133.1001.0050.78MOLA CATOM1779CBMETA 2450.09641.96732.9931.0049.99MOLA CATOM1780CGMETA 2450.77040.70332.6911.0045.65MOLA CATOM1781SDMETA 245−0.25339.44433.4261.0046.13MOLA SATOM1782CEMETA 2450.47239.36735.0471.0049.69MOLA CATOM1783CMETA 2450.11144.28033.6441.0051.92MOLA CATOM1784OMETA 245−0.11844.33634.8491.0053.76MOLA OATOM1785NLYSA 246−0.43845.10832.7591.0052.63MOLA NATOM1786CALYSA 246−1.42246.13733.1451.0053.85MOLA CATOM1787CBLYSA 246−0.75247.49533.3671.0052.63MOLA CATOM1788CGLYSA 246−1.58448.70732.9421.0053.46MOLA CATOM1789CDLYSA 246−0.74249.98733.0021.0056.29MOLA CATOM1790CELYSA 246−1.43551.15932.3381.0057.30MOLA CATOM1791NZLYSA 246−0.68052.42432.5861.0048.24MOLA NATOM1792CLYSA 246−2.53846.25132.1141.0054.38MOLA CATOM1793OLYSA 246−2.37046.87331.0761.0055.96MOLA OATOM1794NGLUA 247−3.66645.61932.3981.0055.38MOLA NATOM1795CAGLUA 247−4.83845.71131.5531.0057.54MOLA CATOM1796CBGLUA 247−5.86044.66431.9831.0058.27MOLA CATOM1797CGGLUA 247−5.87743.33931.2551.0058.74MOLA CATOM1798CDGLUA 247−7.00042.47431.7931.0062.04MOLA CATOM1799OE1GLUA 247−7.64541.73730.9981.0065.34MOLA OATOM1800OE2GLUA 247−7.25342.57133.0241.0053.42MOLA OATOM1801CGLUA 247−5.50747.04831.7761.0059.06MOLA CATOM1802OGLUA 247−5.59947.50132.9271.0060.68MOLA OATOM1803NTHRA 248−6.01147.67130.7061.0058.89MOLA NATOM1804CATHRA 248−6.85348.86830.8651.0056.07MOLA CATOM1805CBTHRA 248−6.10250.13130.4941.0055.12MOLA CATOM1806OG1THRA 248−4.81150.10131.1071.0051.15MOLA OATOM1807CG2THRA 248−6.85751.33131.0001.0056.33MOLA CATOM1808CTHRA 248−8.15948.76330.0711.0055.49MOLA CATOM1809OTHRA 248−8.15048.35828.9211.0056.44MOLA OATOM1810NTHRA 249−9.26949.12330.7001.0055.63MOLA NATOM1811CATHRA 249−10.59849.01530.0991.0056.83MOLA CATOM1812CBTHRA 249−11.37247.80230.6941.0057.49MOLA CATOM1813OG1THRA 249−10.69946.57930.3731.0059.11MOLA OATOM1814CG2THRA 249−12.80947.74730.1691.0055.23MOLA CATOM1815CTHRA 249−11.44250.26830.3691.0057.00MOLA CATOM1816OTHRA 249−11.61850.64831.5261.0056.88MOLA OATOM1817NILEA 250−11.97250.88829.3141.0057.13MOLA NATOM1818CAILEA 250−12.88052.03929.4441.0057.93MOLA CATOM1819CBILEA 250−13.26452.64428.0591.0058.23MOLA CATOM1820CG1ILEA 250−12.06353.27527.3631.0055.93MOLA CATOM1821CD1ILEA 250−12.33153.59625.9061.0057.90MOLA CATOM1822CG2ILEA 250−14.37153.67628.2091.0054.05MOLA CATOM1823CILEA 250−14.17451.60030.1291.0058.42MOLA CATOM1824OILEA 250−14.82350.65529.6741.0055.55MOLA OATOM1825NASPA 251−14.54452.31531.1971.0060.87MOLA NATOM1826CAASPA 251−15.69751.98732.0511.0064.26MOLA CATOM1827CBASPA 251−17.00651.88231.2531.0064.94MOLA CATOM1828CGASPA 251−17.24753.07130.3421.0066.20MOLA CATOM1829OD1ASPA 251−16.91854.21430.7381.0067.60MOLA OATOM1830OD2ASPA 251−17.77552.84329.2271.0059.69MOLA OATOM1831CASPA 251−15.45450.66532.7831.0066.50MOLA CATOM1832OASPA 251−16.30149.76832.7521.0066.07MOLA OATOM1833NGLYA 252−14.28950.54533.4221.0068.33MOLA NATOM1834CAGLYA 252−13.92349.33734.1621.0069.39MOLA CATOM1835CGLYA 252−12.74349.50535.1181.0070.80MOLA CATOM1836OGLYA 252−12.37650.63235.4731.0070.75MOLA OATOM1837NGLUA 253−12.16248.37535.5421.0070.92MOLA NATOM1838CAGLUA 253−10.98848.35336.4211.0069.87MOLA CATOM1839CBGLUA 253−10.94247.03937.2171.0071.12MOLA CATOM1840CGGLUA 253−12.18646.76938.0661.0072.96MOLA CATOM1841CDGLUA 253−12.47347.89039.0581.0083.35MOLA CATOM1842OE1GLUA 253−12.12449.05738.7691.0081.25MOLA OATOM1843OE2GLUA 253−13.05547.60640.1281.0092.10MOLA OATOM1844CGLUA 253−9.70448.53835.6031.0067.79MOLA CATOM1845OGLUA 253−9.57847.98534.5001.0066.77MOLA OATOM1846NGLUA 254−8.78149.34536.1251.0065.40MOLA NATOM1847CAGLUA 254−7.50549.57535.4541.0063.82MOLA CATOM1848CBGLUA 254−7.17951.07035.3631.0063.29MOLA CATOM1849CGGLUA 254−6.01151.44434.4231.0064.77MOLA CATOM1850CDGLUA 254−4.66751.68835.1391.0075.26MOLA CATOM1851OE1GLUA 254.−3.82452.43834.5871.0077.90MOLA OATOM1852OE2GLUA 254−4.44651.15236.2511.0073.62MOLA OATOM1853CGLUA 254−6.44548.79636.2261.0063.74MOLA CATOM1854OGLUA 254−5.66449.36236.9971.0063.20MOLA OATOM1855NLEUA 255−6.44947.48035.9971.0062.71MOLA NATOM1856CALEUA 255−5.61146.50036.6991.0059.86MOLA CATOM1857CBLEUA 255−6.17445.09936.4101.0057.15MOLA CATOM1858CGLEUA 255−7.67145.06536.7791.0057.51MOLA CATOM1859CD1LEUA 255−-8.52844.37835.7101.0059.03MOLA CATOM1860CD2LEUA 255−7.98244.50738.2181.0042.30MOLA CATOM1861CLEUA 255−4.08046.58636.4271.0059.03MOLA CATOM1862OLEUA 255−3.64546.86835.2981.0057.31MOLA OATOM1863NVALA 256−3.29346.40137.4961.0057.05MOLA NATOM1864CAVALA 256−1.83246.26337.4241.0054.68MOLA CATOM1865CBVALA 256−1.07847.47437.9901.0054.75MOLA CATOM1866CG1VALA 2560.22847.01138.6821.0055.18MOLA CATOM1867CG2VALA 256−0.76948.45336.9041.0051.92MOLA CATOM1868CVALA 256−1.39245.04238.2291.0053.42MOLA CATOM1869OVALA 256−1.63944.97639.4391.0053.32MOLA OATOM1870NLYSA 257−0.72244.09337.5701.0050.51MOLA NATOM1871CALYSA 257−0.32242.84138.2231.0047.39MOLA CATOM1872CBLYSA 257−1.36041.74937.9311.0046.45MOLA CATOM1873CGLYSA 257−2.22742.09936.7411.0045.74MOLA CATOM1874CDLYSA 257−3.62241.50836.8511.0044.06MOLA CATOM1875CELYSA 257−3.75040.28336.0011.0042.30MOLA CATOM1876NZLYSA 257−3.24340.65034.6551.0038.17MOLA NATOM1877CLYSA 2571.08242.35337.9071.0045.33MOLA CATOM1878OLYSA 2571.59342.54236.8141.0045.91MOLA OATOM1879NILEA 2581.71741.75838.9001.0044.06MOLA NATOM1880CAILEA 2582.94141.02738.6581.0044.78MOLA CATOM1881CBILEA 2584.09041.47039.5791.0045.83MOLA CATOM1882CG1ILEA 2584.33742.96939.4791.0045.39MOLA CATOM1883CD1ILEA 2585.31243.34638.3641.0036.31MOLA CATOM1884CG2ILEA 2585.36240.79339.1691.0046.51MOLA CATOM1885CILEA 2582.63539.54038.8751.0043.51MOLA CATOM1886OILEA 2581.98439.15539.8431.0039.41MOLA OATOM1887NGLYA 2593.09738.72437.9331.0045.19MOLA NATOM1888CAGLYA 2592.88837.26737.9401.0043.06MOLA CATOM1889CGLYA 2594.20636.54337.7401.0041.28MOLA CATOM1890OGLYA 2595.10137.02737.0361.0039.68MOLA OATOM1891NLYSA 2604.32835.37938.3641.0042.03MOLA NATOM1892CALYSA 2605.60034.65338.3641.0042.50MOLA CATOM1893CBLYSA 2606.44935.07939.5591.0042.20MOLA CATOM1894CGLYSA 2607.86434.57839.4741.0046.74MOLA CATOM1895CDLYSA 2608.65134.81840.7491.0047.73MOLA CATOM1896CELYSA 26010.12234.60040.4601.0041.34MOLA CATOM1897NZLYSA 26010.94734.86141.6531.0047.03MOLA NATOM1898CLYSA 2605.45033.14138.4071.0041.66MOLA CATOM1899OLYSA 2604.74732.58839.2601.0042.91MOLA OATOM1900NLEUA 2616.14232.47337.4951.0040.07MOLA NATOM1901CALEUA 2616.13331.01437.4451.0036.78MOLA CATOM1902CBLEUA 2615.50830.51936.1361.0036.14MOLA CATOM1903CGLEUA 2615.32929.03535.8551.0028.06MOLA CATOM1904CD1LEUA 2614.10428.52536.5341.0030.53MOLA CATOM1905CD2LEUA 2615.19128.80634.3571.0031.77MOLA CATOM1906CLEUA 2617.55630.56437.5131.0037.52MOLA CATOM1907OLEUA 2618.41631.10036.7811.0036.70MOLA OATOM1908NASNA 2627.80329.62638.4301.0038.96MOLA NATOM1909CAASNA 2629.06828.85738.5041.0039.16MOLA CATOM1910CBASNA 2629.66928.85039.9171.0038.37MOLA CATOM1911CGASNA 2629.22030.01740.7571.0041.76MOLA CATOM1912OD1ASNA 2628.33529.87341.6181.0036.02MOLA OATOM1913ND2ASNA 2629.81831.19140.5141.0036.44MOLA NATOM1914CASNA 2628.79527.39238.0971.0038.69MOLA CATOM1915OASNA 2628.01526.67338.7311.0039.95MOLA OATOM1916NLEUA 2639.43726.95337.0361.0036.80MOLA NATOM1917CALEUA 2639.37725.57436.6341.0033.68MOLA CATOM1918CBLEUA 2639.32225.58235.1311.0033.93MOLA CATOM1919CGLEUA 2638.34626.66634.6981.0024.47MOLA CATOM1920CD1LEUA 2638.79627.39433.4231.0013.99MOLA CATOM1921CD2LEUA 2637.04326.01434.4611.0021.52MOLA CATOM1922CLEUA 26310.66024.87437.1271.0033.64MOLA CATOM1923OLEUA 26311.76725.31136.8171.0033.67MOLA OATOM1924NVALA 26410.52723.78437.8811.0034.38MOLA NATOM1925CAVALA 26411.71523.17538.5181.0033.24MOLA CATOM1926CBVALA 26411.68023.38840.0401.0032.52MOLA CATOM1927CG1VALA 26412.94422.88440.6491.0029.22MOLA CATOM1928CG2VALA 26411.51924.84640.3431.0028.08MOLA CATOM1929CVALA 26412.00621.69538.2231.0033.21MOLA CATOM1930OVALA 26411.20420.81038.5421.0031.44MOLA O.ATOM1931NASPA 26513.18321.47537.6271.0034.60MOLA NATOM1932CAASPA 26513.76420.16637.2801.0032.76MOLA CATOM1933CBASPA 26514.68620.34736.0911.0033.82MOLA CATOM1934CGASPA 26514.77519.11735.2001.0036.48MOLA CATOM1935OD1ASPA 26514.74217.97435.7101.0053.03MOLA OATOM1936OD2ASPA 26514.88319.31433.9711.0031.07MOLA OATOM1937CASPA 26514.64019.71038.4071.0034.10MOLA CATOM1938OASPA 26515.75720.19038.5611.0033.83MOLA OATOM1939NLEUA 26614.16218.76639.1971.0036.05MOLA NATOM1940CALEUA 26614.91018.33340.3571.0037.44MOLA CATOM1941CBLEUA 26613.95717.58241.2641.0035.28MOLA CATOM1942CGLEUA 26613.01518.57741.9081.0036.50MOLA CATOM1943CD1LEUA 26612.17517.93143.0241.0025.63MOLA CATOM1944CD2LEUA 26613.85919.71242.4331.0025.08MOLA CATOM1945CLEUA 26616.13517.45440.0601.0038.78MOLA CATOM1946OLEUA 26616.14216.73439.0841.0040.83MOLA OATOM1947NALAA 26717.17317.51540.8921.0040.14MOLA NATOM1948CAALAA 26718.23516.49740.8391.0040.99MOLA CATOM1949CBALAA 26719.24616.68741.9771.0041.25MOLA CATOM1950CALAA 26717.54015.14640.9731.0040.63MOLA CATOM1951OALAA 26716.46515.08341.5791.0042.63MOLA OATOM1952NGLYA 26818.13814.07240.4331.0039.77MOLA NATOM1953CAGLYA 26817.48812.75040.4031.0032.98MOLA CATOM1954CGLYA 26817.26112.24341.8011.0030.19MOLA CATOM1955OGLYA 26817.99512.61542.6881.0032.98MOLA OATOM1956NSERA 26916.26211.39542.0161.0028.80MOLA NATOM1957CASERA 26915.95410.93043.3721.0028.42MOLA CATOM1958CBSERA 26914.45610.78243.5581.0025.13MOLA CATOM1959OGSERA 26913.89010.34542.3491.0029.66MOLA OATOM1960CSERA 26916.6729.64943.7981.0030.93MOLA CATOM1961OSERA 26916.5799.21744.9671.0033.98MOLA OATOM1962NGLUA 27017.3839.01242.8881.0029.83MOLA NATOM1963CAGLUA 27018.1447.86743.3411.0031.68MOLA CATOM1964CBGLUA 27019.0107.27842.2321.0030.94MOLA CATOM1965CGGLUA 27019.8838.30541.5251.0036.36MOLA CATOM1966CDGLUA 27019.1419.07540.4331.0043.98MOLA CATOM1967OE1GLUA 27017.9208.83440.2191.0038.26MOLA OATOM1968OE2GLUA 27019.7979.91139.7731.0044.10MOLA OATOM1969CGLUA 27019.0138.32844.5021.0029.85MOLA CATOM1970OGLUA 27019.5917.50345.1981.0030.15MOLA OATOM1971NALAA 28526.20314.89347.8331.0070.75MOLA NATOM1972CAALAA 28524.80314.56347.5611.0069.96MOLA CATOM1973CBALAA 28524.71813.38346.5941.0067.70MOLA CATOM1974CALAA 28523.96414.30248.8401.0071.36MOLA CATOM1975OALAA 28522.80813.86248.7401.0072.37MOLA OATOM1976NGLYA 28624.53814.57050.0261.0071.08MOLA NATOM1977CAGLYA 28623.83014.39251.3041.0068.75MOLA CATOM1978CGLYA 28622.81015.50351.3781.0068.50MOLA CATOM1979OGLYA 28621.69715.33751.8841.0068.19MOLA OATOM1980NASNA 28723.20916.64750.8381.0067.70MOLA NATOM1981CAASNA 28722.34917.81750.7471.0068.21MOLA CATOM1982CBASNA 28723.19219.00550.3191.0067.99MOLA CATOM1983CGASNA 28724.31118.58849.4051.0069.18MOLA CATOM1984OD1ASNA 28724.14018.51548.1911.0077.95MOLA OATOM1985ND2ASNA 28725.46118.27149.9851.0063.70MOLA NATOM1986CASNA 28721.20617.58549.7711.0067.94MOLA CATOM1987OASNA 28720.07617.99450.0271.0068.64MOLA OATOM1988NILEA 28821.50016.91648.6561.0067.68MOLA NATOM1989CAILEA 28820.46816.55147.6741.0066.46MOLA CATOM1990CBILEA 28821.03415.76646.4571.0066.23MOLA CATOM1991CG1ILEA 28821.99616.63445.6461.0069.98MOLA CATOM1992CD1ILEA 28822.41115.99944.3401.0065.53MOLA CATOM1993CG2ILEA 28819.92115.30845.5341.0063.59MOLA CATOM1994CILEA 28819.31515.76848.3181.0066.42MOLA CATOM1995OILEA 28818.17016.21548.2611.0067.10MOLA OATOM1996NASNA 28919.59214.62148.9411.0065.53MOLA NATOM1997CAASNA 28918.49113.86449.5421.0065.47MOLA CATOM1998CBASNA 28918.90712.45050.0031.0066.61MOLA CATOM1999CGASNA 28919.49912.41751.4311.0068.50MOLA CATOM2000OD1ASNA 28920.69312.69851.6511.0054.07MOLA OATOM2001ND2ASNA 28918.66312.02352.3991.0067.62MOLA NATOM2002CASNA 28917.82214.67450.6591.0064.61MOLA CATOM2003OASNA 28916.67814.40151.0371.0063.92MOLA OATOM2004NGLNA 29018.54415.67851.1641.0062.53MOLA NATOM2005CAGLNA 29018.00316.57052.1741.0061.67MOLA CATOM2006CBGLNA 29019.10717.34852.8951.0062.94MOLA CATOM2007CGGLNA 29018.58518.20954.0561.0070.00MOLA CATOM2008CDGLNA 29017.67617.42555.0331.0089.18MOLA CATOM2009OE1GLNA 29018.03916.34855.5191.0093.13MOLA OATOM2010NE2GLNA 29016.49717.98155.3271.0092.21MOLA NATOM2011CGLNA 29016.99817.53251.5511.0059.72MOLA CATOM2012OGLNA 29015.92117.75752.1151.0059.81MOLA OATOM2013NSERA 29117.34618.09250.3941.0055.62MOLA NATOM2014CASERA 29116.44318.98549.6941.0054.03MOLA CATOM2015CBSERA 29117.06019.42748.3671.0055.65MOLA CATOM2016OGSERA 29118.45819.64348.4631.0051.60MOLA OATOM2017CSERA 29115.17018.21149.3961.0052.89MOLA CATOM2018OSERA 29114.10518.44949.9691.0051.31MOLA OATOM2019NLEUA 29215.31617.25348.4941.0052.96MOLA NATOM2020CALEUA 29214.21516.41848.0551.0052.58MOLA CATOM2021CBLEUA 29214.72215.21647.2481.0053.97MOLA CATOM2022CGLEUA 29215.60815.55046.0301.0055.05MOLA CATOM2023CD1LEUA 29216.02514.30745.2661.0060.32MOLA CATOM2024CD2LEUA 29214.89616.49745.0821.0062.29MOLA CATOM2025CLEUA 29213.46515.98749.2791.0052.17MOLA CATOM2026OLEUA 29212.23615.97349.2881.0051.55MOLA OATOM2027NLEUA 29314.20615.64850.3291.0052.31MOLA NATOM2028CALEUA 29313.54615.36651.5841.0051.46MOLA CATOM2029CBLEUA 29314.50714.84152.6451.0051.49MOLA CATOM2030CGLEUA 29314.23013.37852.9921.0052.60MOLA CATOM2031CD1LEUA 29312.70813.24153.2441.0053.75MOLA CATOM2032CD2LEUA 29314.71512.39351.9331.0035.26MOLA CATOM2033CLEUA 29312.83816.62952.0231.0050.55MOLA CATOM2034OLEUA 29311.60816.71551.8841.0049.36MOLA OATOM2035NTHRA 29413.61317.61852.4831.0049.65MOLA NATOM2036CATHRA 29413.05718.89552.9931.0050.77MOLA CATOM2037CBTHRA 29414.11520.04053.0881.0052.08MOLA CATOM2038OG1THRA 29415.01819.77354.1741.0057.37MOLA OATOM2039CG2THRA 29413.45721.38953.3341.0045.65MOLA CATOM2040CTHRA 29411.88219.33552.1501.0049.62MOLA CATOM2041OTHRA 29410.75819.44652.6571.0048.88MOLA OATOM2042NLEUA 29512.13519.55350.8641.0048.11MOLA NATOM2043CALEUA 29511.05619.87949.9451.0048.22MOLA CATOM2044CBLEUA 29511.43219.56148.4861.0048.53MOLA CATOM2045CGLEUA 29510.26619.56247.4721.0047.92MOLA CATOM2046CD1LEUA 2959.19520.57547.8601.0030.65MOLA CATOM2047CD2LEUA 29510.73719.78046.0211.0046.01MOLA CATOM2048CLEUA 2959.79419.13050.3071.0048.64MOLA CATOM2049OLEUA 2958.81019.74650.6991.0050.29MOLA OATOM2050NGLYA 2969.84417.80150.1791.0048.63MOLA NATOM2051CAGLYA 2968.69316.92550.3661.0046.64MOLA CATOM2052CGLYA 2967.94417.22351.6271.0047.63MOLA CATOM2053OGLYA 2966.74117.35851.5971.0048.24MOLA OATOM2054NARGA 2978.65817.32852.7441.0050.49MOLA NATOM2055CAARGA 2978.03017.69454.0251.0053.17MOLA CATOM2056CBARGA 2979.05317.69455.1641.0053.86MOLA CATOM2057CGARGA 2979.79816.33755.2721.0055.93MOLA CATOM2058CDARGA 29710.37316.05956.6571.0060.20MOLA CATOM2059NEARGA 29711.19717.15557.1521.0073.44MOLA NATOM2060CZARGA 29710.83317.98458.1301.0081.04MOLA CATOM2061NH1ARGA 2979.65817.83158.7351.0073.19MOLA NATOM2062NH2ARGA 29711.65118.96658.5131.0085.99MOLA NATOM2063CARGA 2977.30819.03453.8651.0053.47MOLA CATOM2064OARGA 2976.07819.07953.9291.0056.62MOLA OATOM2065NVALA 2988.07220.09653.6141.0051.35MOLA NATOM2066CAVALA 2987.53721.37453.1241.0049.99MOLA CATOM2067CBVALA 2988.57022.09452.1751.0049.82MOLA CATOM2068CG1VALA 2987.93023.26751.4571.0048.61MOLA CATOM2069CG2VALA 2989.81422.55652.9211.0043.24MOLA CATOM2070CVALA 2986.21621.20052.3411.0051.34MOLA CATOM2071OVALA 2985.18921.83252.6511.0052.55MOLA OATOM2072NILEA 2996.23420.36451.3101.0050.11MOLA NATOM2073CAILEA 2995.00620.13050.5641.0050.11MOLA CATOM2074CBILEA 2995.19519.18949.3801.0049.71MOLA CATOM2075CG1ILEA 2996.15619.80148.3691.0047.04MOLA CATOM2076CD1ILEA 2995.92021.26948.1461.0045.62MOLA CATOM2077CG2ILEA 2993.85518.88748.7731.0038.48MOLA CATOM2078CILEA 2994.00519.43951.4441.0051.80MOLA CATOM2079OILEA 2992.86919.90651.5981.0052.42MOLA OATOM2080NTHRA 3004.43518.31552.0131.0052.00MOLA NATOM2081CATHRA 3003.53617.49852.8091.0054.89MOLA CATOM2082CBTHRA 3004.26516.32153.5181.0055.64MOLA CATOM2083OG1THRA 3004.43115.23852.5871.0055.91MOLA OATOM2084CG2THRA 3003.45115.81354.6931.0056.56MOLA CATOM2085CTHRA 3002.79018.43653.7531.0054.17MOLA CATOM2086OTHRA 3001.56718.29053.9471.0052.35MOLA OATOM2087NALAA 3013.53719.41954.2661.0051.20MOLA NATOM2088CAALAA 3012.99420.52155.0321.0052.41MOLA CATOM2089CBALAA 3014.07721.54955.3111.0053.14MOLA CATOM2090CALAA 3011.82721.19754.3181.0053.82MOLA CATOM2091OALAA 3010.67420.96554.6621.0055.49MOLA OATOM2092NLEUA 3022.12422.03153.3261.0053.76MOLA NATOM2093CALEUA 3021.09322.80652.6531.0054.83MOLA CATOM2094CBLEUA 3021.63323.40051.3681.0055.31MOLA CATOM2095CGLEUA 3023.10423.82151.4061.0064.21MOLA CATOM2096CD1LEUA 3023.42924.71850.2181.0064.61MOLA CATOM2097CD2LEUA 3023.44624.53052.7151.0077.53MOLA CATOM2098CLEUA 302−0.12721.95852.3481.0055.95MOLA CATOM2099OLEUA 302−1.25022.44552.3341.0053.42MOLA OATOM2100NVALA 3030.09120.67852.0911.0059.68MOLA NATOM2101CAVALA 303−1.03119.77951.8981.0062.89MOLA CATOM2102CBVALA 303−0.55918.33651.6171.0063.36MOLA CATOM2103CG1VALA 303−1.71717.47051.1191.0062.02MOLA CATOM2104CG2VALA 3030.57518.34050.6161.0064.24MOLA CATOM2105CVALA 303−1.84419.78353.1871.0064.79MOLA CATOM2106OVALA 303−3.03220.12553.1871.0063.44MOLA OATOM2107NGLUA 304−1.15619.46254.2851.0068.15MOLA NATOM2108CAGLUA 304−1.76419.16855.5911.0072.58MOLA CATOM2109CBGLUA 304−0.76518.41656.4811.0072.86MOLA CATOM2110CGGLUA 304−0.70216.95556.1231.0075.09MOLA CATOM2111CDGLUA 304−2.04316.48055.5981.0084.67MOLA CATOM2112OE1GLUA 304−3.02716.45956.3801.0083.26MOLA OATOM2113OE2GLUA 304−2.11316.16154.3871.0087.75MOLA OATOM2114CGLUA 304−2.49520.25456.3981.0076.14MOLA CATOM2115OGLUA 304−3.31919.92457.2731.0077.94MOLA OATOM2116NARGA 305−2.22021.52956.1011.0077.88MOLA NATOM2117CAARGA 305−2.91822.66156.7251.0077.95MOLA CATOM2118CBARGA 305−4.41122.35256.9741.0078.80MOLA CATOM2119CGARGA 305−5.19421.52855.9011.0083.88MOLA CATOM2120CDARGA 305−5.18922.16754.5151.0097.61MOLA CATOM2121NEARGA 305−4.95223.60754.5981.00107.00MOLA NATOM2122CZARGA 305−5.77924.47255.1781.00112.51MOLA CATOM2123NH1ARGA 305−5.47325.76355.2061.00116.80MOLA NATOM2124NH2ARGA 305−6.90624.04755.7421.00111.07MOLA NATOM2125CARGA 305−2.26822.97258.0571.0077.43MOLA CATOM2126OARGA 305−2.87123.61958.9111.0078.06MOLA OATOM2127NTHRA 306−1.04422.50058.2381.0075.87MOLA NATOM2128CATHRA 306−0.37922.62559.5231.0076.85MOLA CATOM2129CBTHRA 3060.52221.41959.7721.0077.13MOLA CATOM2130OG1THRA 3061.67221.50058.9251.0082.26MOLA OATOM2131CG2THRA 306−0.23620.12859.4731.0079.52MOLA CATOM2132CTHRA 3060.39123.94659.6451.0075.90MOLA CATOM2133OTHRA 3060.44524.70858.6831.0076.59MOLA OATOM2134NPROA 3070.96424.23260.8361.0074.68MOLA NATOM2135CAPROA 3071.56625.53361.1451.0073.61MOLA CATOM2136CBPROA 3071.14625.74862.6121.0073.56MOLA CATOM2137CGPROA 3070.89424.34763.1731.0072.56MOLA CATOM2138CDPROA 3071.01323.35762.0171.0075.12MOLA CATOM2139CPROA 3073.09025.67661.0401.0072.56MOLA CATOM2140OPROA 3073.61026.76961.2731.0070.70MOLA OATOM2141NHISA 3083.79824.59960.7241.0072.82MOLA NATOM2142CAHISA 3085.26524.65560.6071.0072.27MOLA CATOM2143CBHISA 3085.90123.76361.6991.0074.08MOLA CATOM2144CGHISA 3087.33423.37061.4381.0084.04MOLA CATOM2145ND1HISA 3087.68722.15060.8901.0090.78MOLA NATOM2146CE1HISA 3089.00522.07660.7911.0093.63MOLA CATOM2147NE2HISA 3089.52223.20061.2591.0094.06MOLA NATOM2148CD2HISA 3088.50124.02361.6751.0090.23MOLA CATOM2149CHISA 3085.73724.25159.1961.0069.02MOLA CATOM2150OHISA 3085.61423.07758.8121.0068.29MOLA OATOM2151NVALA 3096.25425.20658.4171.0064.75MOLA NATOM2152CAVALA 3096.77124.87257.0701.0063.45MOLA CATOM2153CBVALA 3095.89725.45255.9021.0063.88MOLA CATOM2154CG1VALA 3096.53925.16854.5581.0064.59MOLA CATOM2155CG2VALA 3094.48224.86055.9241.0064.04MOLA CATOM2156CVALA 3098.26925.19856.9111.0061.72MOLA CATOM2157OVALA 3098.67126.36056.8551.0061.81MOLA OATOM2158NPROA 3109.11024.16356.8541.0059.90MOLA NATOM2159CAPROA 31010.53424.43956.8991.0059.69MOLA CATOM2160CBPROA 31011.16123.04557.0531.0058.54MOLA CATOM2161CGPROA 31010.02522.15457.5031.0060.37MOLA CATOM2162CDPROA 3108.83522.72356.7931.0058.96MOLA CATOM2163CPROA 31011.03925.09755.6431.0059.35MOLA CATOM2164OPROA 31011.80124.49254.9121.0061.64MOLA OATOM2165NTYRA 31110.63326.32655.3821.0058.16MOLA NATOM2166CATYRA 31111.16826.99154.2091.0059.57MOLA CATOM2167CBTYRA 31110.49428.33653.9351.0058.64MOLA CATOM2168CGTYRA 3119.13628.15153.3541.0058.83MOLA CATOM2169CD1TYRA 3117.99228.36854.1191.0056.56MOLA CATOM2170CE1TYRA 3116.73828.17053.5911.0053.67MOLA CATOM2171CZTYRA 3116.61227.73852.2871.0059.68MOLA CATOM2172OHTYRA 3115.36427.52951.7411.0063.86MOLA OATOM2173CE2TYRA 3117.73527.50251.5181.0061.31MOLA CATOM2174CD2TYRA 3118.98727.69952.0561.0051.14MOLA CATOM2175CTYRA 31112.66427.15954.3381.0061.28MOLA CATOM2176OTYRA 31113.40226.65553.4971.0061.92MOLA OATOM2177NARGA 31213.10627.87055.3841.0063.47MOLA NATOM2178CAARGA 31214.54028.12955.5781.0064.41MOLA CATOM2179CBARGA 31214.87229.12856.7221.0064.98MOLA CATOM2180CGARGA 31213.82329.32257.8101.0071.90MOLA CATOM2181CDARGA 31213.25230.74157.7551.0082.57MOLA CATOM2182NEARGA 31211.79230.77057.8211.0090.81MOLA NATOM2183CZARGA 31210.99829.69457.8661.0097.17MOLA CATOM2184NH1ARGA 31211.50328.45957.8771.0089.64MOLA NATOM2185NH2ARGA 3129.67929.85557.9071.0097.91MOLA NATOM2186CARGA 31215.34926.85855.7431.0062.83MOLA CATOM2187OARGA 31216.56326.91755.6231.0060.88MOLA OATOM2188NGLUA 31314.68925.72255.9851.0063.16MOLA NATOM2189CAGLUA 31315.42124.44956.1761.0064.85MOLA CATOM2190CBGLUA 31314.51823.33856.7181.0063.81MOLA CATOM2191CGGLUA 31314.45823.30458.2321.0065.51MOLA CATOM2192CDGLUA 31314.11121.92558.7721.0073.08MOLA CATOM2193OE1GLUA 31315.02921.27459.3391.0063.05MOLA OATOM2194OE2GLUA 31312.93621.48958.6061.0067.66MOLA OATOM2195CGLUA 31316.33423.95255.0091.0065.45MOLA CATOM2196OGLUA 31317.33723.27655.2581.0066.60MOLA OATOM2197NSERA 31416.01224.28153.7571.0064.88MOLA NATOM2198CASERA 31416.95924.01152.6621.0062.67MOLA CATOM2199CBSERA 31416.53422.81751.8041.0063.85MOLA CATOM2200OGSERA 31415.73723.25250.7051.0059.04MOLA OATOM2201CSERA 31417.04025.22651.7691.0060.80MOLA CATOM2202OSERA 31416.08526.01251.6931.0056.79MOLA OATOM2203NLYSA 31518.17025.36651.0791.0059.76MOLA NATOM2204CALYSA 31518.30426.43250.1001.0060.13MOLA CATOM2205CBLYSA 31519.68526.44549.4641.0060.69MOLA CATOM2206CGLYSA 31520.67027.31450.1991.0061.59MOLA CATOM2207CDLYSA 31521.80727.72449.3031.0054.08MOLA CATOM2208CELYSA 31522.90328.37850.1321.0072.37MOLA CATOM2209NZLYSA 31524.12828.68449.3411.0072.77MOLA NATOM2210CLYSA 31517.22526.34849.0181.0060.38MOLA CATOM2211OLYSA 31516.70027.39048.5871.0061.71MOLA OATOM2212NLEUA 31616.89925.12048.5881.0057.06MOLA NATOM2213CALEUA 31615.80024.89947.6421.0053.20MOLA CATOM2214CBLEUA 31615.71023.42847.2041.0053.47MOLA CATOM2215CGLEUA 31614.56523.09746.22S1.0043.13MOLA CATOM2216CD1LEUA 31614.76023.82044.9631.0030.51MOLA CATOM2217CD2LEUA 31614.48621.63245.9251.0048.98MOLA CATOM2218CLEUA 31614.42425.41948.1511.0053.86MOLA CATOM2219OLEUA 31613.85826.33247.5581.0053.03MOLA OATOM2220NTHRA 31713.86824.83549.2131.0053.38MOLA NATOM2221CATHRA 31712.60625.35249.7231.0051.55MOLA CATOM2222CBTHRA 31712.22224.76151.0611.0050.27MOLA CATOM2223OG1THRA 31713.38024.18051.6621.0057.10MOLA OATOM2224CG2THRA 31711.20723.70450.8731.0044.52MOLA CATOM2225CTHRA 31712.73626.84449.8821.0053.42MOLA CATOM2226OTHRA 31711.81427.58649.5441.0054.72MOLA OATOM2227NARGA 31813.89827.29450.3591.0055.04MOLA NATOM2228CAARGA 31814.12728.74650.5911.0055.20MOLA CATOM2229CBARGA 31815.50428.99851.2211.0054.49MOLA CATOM2230CGARGA 31815.73530.41451.7051.0065.49MOLA CATOM2231CDARGA 31814.58530.94652.5941.0096.21MOLA CATOM2232NEARGA 31814.76332.35552.9711.00106.15MOLA NATOM2233CZARGA 31815.25132.77754.1381.00114.42MOLA CATOM2234NH1ARGA 31815.60731.91555.0851.00118.70MOLA NATOM2235NH2ARGA 31815.37534.07454.3631.00117.89MOLA NATOM2236CARGA 31813.88129.63349.3511.0052.18MOLA CATOM2237OARGA 31812.90030.36949.3071.0052.00MOLA OATOM2238NILEA 31914.75529.55748.3521.0050.10MOLA NATOM2239CAILEA 31914.54630.28247.1021.0047.53MOLA CATOM2240CBILEA 31915.43229.70745.9911.0045.53MOLA CATOM2241CG1ILEA 31916.88629.69346.4291.0045.51MOLA CATOM2242CD1ILEA 31917.83829.18145.3591.0049.13MOLA CATOM2243CG2ILEA 31915.28630.51644.7211.0043.99MOLA CATOM2244CILEA 31913.09030.17746.6381.0047.74MOLA CATOM2245OILEA 31912.57531.06745.9851.0046.12MOLA OATOM2246NLEUA 32012.42829.08546.9951.0050.59MOLA NATOM2247CALEUA 32011.09528.78746.4851.0053.97MOLA CATOM2248CBLEUA 32010.97027.29846.2111.0053.01MOLA CATOM2249CGLEUA 32011.59726.90444.8841.0047.58MOLA CATOM2250CD1LEUA 32011.16825.48444.5281.0055.21MOLA CATOM2251CD2LEUA 32011.13727.85043.8271.0023.27MOLA CATOM2252CLEUA 3209.92829.25647.3501.0057.73MOLA CATOM2253OLEUA 3208.88629.65846.8121.0059.26MOLA OATOM2254NGLNA 32110.11029.17148.6721.0060.20MOLA NATOM2255CAGLNA 3219.18429.70049.7031.0061.61MOLA CATOM2256CBGLNA 3219.98630.45450.7641.0062.55MOLA CATOM2257CGGLNA 3219.12531.28051.6951.0056.25MOLA CATOM2258CDGLNA 3219.76731.44953.0491.0054.08MOLA CATOM2259OE1GLNA 32110.97431.66653.1541.0058.49MOLA OATOM2260NE2GLNA 3218.96631.33754.0971.0048.56MOLA NATOM2261CGLNA 3218.13030.66049.2121.0062.42MOLA CATOM2262OGLNA 3216.92730.47849.4411.0060.85MOLA OATOM2263NASPA 3228.63831.71748.5881.0063.64MOLA NATOM2264CAASPA 3227.85132.74247.9451.0065.38MOLA CATOM2265CBASPA 3228.71033.44446.9081.0066.20MOLA CATOM2266CGASPA 3228.30034.86246.7191.0068.49MOLA CATOM2267OD1ASPA 3229.10835.65046.1791.0074.53MOLA OATOM2268OD2ASPA 3227.16635.18747.1451.0071.33MOLA OATOM2269CASPA 3226.59932.21247.2691.0065.34MOLA CATOM2270OASPA 3225.49832.40147.7771.0065.96MOLA OATOM2271NSERA 3236.76431.56746.1171.0064.95MOLA NATOM2272CASERA 3235.60831.00945.4051.0065.77MOLA CATOM2273CBSERA 3235.96330.59743.9681.0065.50MOLA CATOM2274OGSERA 3237.33130.24543.8411.0070.25MOLA OATOM2275CSERA 3234.84529.89246.1541.0064.97MOLA CATOM2276OSERA 3233.61429.88946.1571.0064.40MOLA OATOM2277NLEUA 3245.54728.97346.8151.0064.70MOLA NATOM2278CALEUA 3244.84927.88847.5111.0065.09MOLA CATOM2279CBLEUA 3245.80927.01948.3141.0063.30MOLA CATOM2280CGLEUA 3247.11426.41747.8011.0061.65MOLA CATOM2281CD1LEUA 3247.07124.90348.0851.0046.78MOLA CATOM2282CD2LEUA 3247.35026.64846.3391.0059.96MOLA CATOM2283CLEUA 3243.76828.41748.4591.0067.43MOLA CATOM2284OLEUA 3242.77927.73948.7291.0067.20MOLA OATOM2285NGLYA 3253.98429.64348.9391.0070.64MOLA NATOM2286CAGLYA 3253.18330.32649.9721.0072.23MOLA CATOM2287CGLYA 3251.70230.07150.2381.0073.29MOLA CATOM2288OGLYA 3251.35629.44251.2451.0072.44MOLA OATOM2289NGLYA 3260.82130.58449.3771.0073.92MOLA NATOM2290CAGLYA 326−0.61830.53049.6731.0074.52MOLA CATOM2291CGLYA 326−1.60130.34548.5301.0074.81MOLA CATOM2292OGLYA 326−1.85329.21548.1011.0075.94MOLA OATOM2293NARGA 327−2.16831.45348.0481.0073.55MOLA NATOM2294CAARGA 327−3.19931.43646.9861.0072.51MOLA CATOM2295CBARGA 327−3.93532.80146.9371.0073.95MOLA CATOM2296CGARGA 327−5.49332.74347.0261.0076.64MOLA CATOM2297CDARGA 327−6.24832.86745.6811.0088.88MOLA CATOM2298NEARGA 327−5.81031.91544.6511.0092.59MOLA NATOM2299CZARGA 327−6.19430.63944.5611.0083.85MOLA CATOM2300NH1ARGA 327−5.72029.88943.5751.0083.19MOLA NATOM2301NH2ARGA 327−7.03530.10645.4441.0069.88MOLA NATOM2302CARGA 327−2.54831.08345.6361.0069.85MOLA CATOM2303OARGA 327−2.87331.65644.5861.0069.17MOLA OATOM2304NTHRA 328−1.63430.11545.6931.0066.10MOLA NATOM2305CATHRA 328−0.81129.71544.5721.0063.02MOLA CATOM2306CBTHRA 3280.67229.81244.9551.0062.92MOLA CATOM2307OG1THRA 3281.47429.15343.9711.0065.52MOLA OATOM2308CG2THRA 3280.91729.12746.2931.0067.95MOLA CATOM2309CTHRA 328−1.10328.27544.1841.0060.25MOLA CATOM2310OTHRA 328−1.42627.45845.0421.0059.32MOLA OATOM2311NARGA 329−0.98927.97342.8911.0058.49MOLA NATOM2312CAARGA 329−1.10226.59842.4131.0057.27MOLA CATOM2313CBARGA 329−1.66726.53141.0121.0057.36MOLA CATOM2314CGARGA 329−2.91027.34840.8031.0059.50MOLA CATOM2315CDARGA 329−4.06926.84541.6191.0064.56MOLA CATOM2316NEARGA 329−5.28026.99940.8351.0069.32MOLA NATOM2317CZARGA 329−5.70726.07639.9841.0072.39MOLA CATOM2318NH1ARGA 329−5.02124.93939.8461.0061.92MOLA NATOM2319NH2ARGA 329−6.81926.28339.2861.0077.77MOLA NATOM2320CARGA 3290.28026.02542.3781.0056.10MOLA CATOM2321OARGA 3291.25426.71442.0561.0057.36MOLA OATOM2322NTHRA 3300.38524.75642.7151.0053.31MOLA NATOM2323CATHRA 3301.69224.15142.7551.0049.95MOLA CATOM2324CBTHRA 3302.30624.23444.1441.0049.52MOLA CATOM2325OG1THRA 3302.60425.60944.4301.0054.14MOLA OATOM2326CG2THRA 3303.57323.42844.2241.0044.57MOLA CATOM2327CTHRA 3301.49722.74542.3041.0049.03MOLA CATOM2328OTHRA 3300.51822.09142.6861.0049.16MOLA OATOM2329NSERA 3312.40322.30841.4361.0047.08MOLA NATOM2330CASERA 3312.28620.99940.8661.0044.47MOLA CATOM2331CBSERA 3311.68621.08739.4891.0043.99MOLA CATOM2332OGSERA 3310.89419.94739.2721.0047.39MOLA OATOM2333CSERA 3313.59920.26640.8171.0042.92MOLA CATOM2334OSERA 3314.65820.83540.5591.0044.24MOLA OATOM2335NILEA 3323.50018.98041.0801.0040.95MOLA NATOM2336CAILEA 3324.63218.12041.1391.0038.84MOLA CATOM2337CBILEA 3324.69817.46442.5031.0040.24MOLA CATOM2338CG1ILEA 3324.40718.50343.5901.0045.19MOLA CATOM2339CD1ILEA 3324.03717.88544.9571.0038.84MOLA CATOM2340CG2ILEA 3326.04416.72142.7121.0035.24MOLA CATOM2341CILEA 3324.34417.02240.1801.0037.62MOLA CATOM2342OILEA 3323.36216.28740.3411.0036.71MOLA OATOM2343NILEA 3335.20316.90839.1821.0036.70MOLA NATOM2344CAILEA 3335.08715.85038.2051.0035.60MOLA CATOM2345CBILEA 3335.33516.37936.7981.0035.26MOLA CATOM2346CG1ILEA 3334.34017.50136.4901.0039.33MOLA CATOM2347CD1ILEA 3334.41818.03235.0841.0031.28MOLA CATOM2348CG2ILEA 3335.16715.29535.7851.0025.60MOLA CATOM2349CILEA 3336.11614.81038.4951.0035.99MOLA CATOM2350OILEA 3337.26214.97338.1011.0037.62MOLA OATOM2351NALAA 3345.71913.75839.2121.0037.84MOLA NATOM2352CAALAA 3346.60312.59639.4651.0038.55MOLA CATOM2353CBALAA 3345.97911.66640.4721.0036.54MOLA CATOM2354CALAA 3346.84711.84238.1651.0038.60MOLA CATOM2355OALAA 3345.88011.41137.5401.0041.20MOLA OATOM2356NTHRA 3358.11211.69837.7451.0037.58MOLA NATOM2357CATHRA 3358.44710.91136.5341.0036.82MOLA CATOM2358CBTHRA 3359.40711.68835.5301.0040.56MOLA CATOM2359OG1THRA 33510.60912.12536.1801.0042.44MOLA OATOM2360CG2THRA 3358.71212.91034.8581.0028.64MOLA CATOM2361CTHRA 3358.9399.46636.8411.0036.73MOLA CATOM2362OTHRA 3359.8289.25637.6631.0037.36MOLA OATOM2363NILEA 3368.3248.46336.2101.0037.02MOLA NATOM2364CAILEA 3368.7047.03236.4181.0033.54MOLA CATOM2365CBILEA 3367.6776.28537.3041.0031.05MOLA CATOM2366CG1ILEA 3366.2726.37836.7121.0034.95MOLA CATOM2367CD1ILEA 3365.2825.27437.1891.0028.34MOLA CATOM2368CG2ILEA 3367.6656.82538.7091.0025.33MOLA CATOM2369CILEA 3368.9806.17635.1301.0035.05MOLA CATOM2370OILEA 3368.4396.45634.0401.0035.47MOLA OATOM2371NSERA 3379.8485.16035.2701.0036.25MOLA NATOM2372CASERA 33710.0984.11634.2281.0035.37MOLA CATOM2373CBSERA 33711.5633.64334.2471.0035.19MOLA CATOM2374OGSERA 33711.7122.35133.6611.0028.06MOLA OATOM2375CSERA 3379.1922.91134.4691.0035.48MOLA CATOM2376OSERA 3378.9092.59335.6271.0037.66MOLA OATOM2377NPROA 3388.7332.23033.4021.0035.21MOLA NATOM2378CAPROA 3387.8411.10233.7151.0038.17MOLA CATOM2379CBPROA 3386.9471.01932.4811.0037.03MOLA CATOM2380CGPROA 3387.8251.58431.3291.0034.75MOLA CATOM2381CDPROA 3388.9332.40431.9521.0034.79MOLA CATOM2382CPROA 3388.570−0.24133.9751.0041.46MOLA CATOM2383OPROA 3387.931−1.21834.4091.0045.38MOLA OATOM2384NALAA 3399.893−0.26933.7721.0040.58MOLA NATOM2385CAALAA 33910.686−1.51333.8191.0040.44MOLA CATOM2386CBALAA 33912.023−1.30633.1021.0041.01MOLA CATOM2387CALAA 33910.933−2.09735.2131.0039.74MOLA CATOM2388OALAA 33910.947−1.37436.1941.0039.91MOLA OATOM2389NSERA 34011.168−3.40435.2681.0037.62MOLA NATOM2390CASERA 34011.421−4.09936.5091.0037.87MOLA CATOM2391CBSERA 34011.316−5.63036.3041.0040.91MOLA CATOM2392OGSERA 34012.281−6.15335.3831.0042.09MOLA OATOM2393CSERA 34012.823−3.71636.9161.0037.10MOLA CATOM2394OSERA 34013.210−3.73138.0981.0036.28MOLA OATOM2395NLEUA 34113.600−3.36035.9131.0036.19MOLA NATOM2396CALEUA 34114.976−3.00236.1661.0036.04MOLA CATOM2397CBLEUA 34115.657−2.71134.8331.0034.10MOLA CATOM2398CGLEUA 34117.105−3.06134.4701.0033.75MOLA CATOM2399CD1LEUA 34117.807−4.10835.3691.0033.23MOLA CATOM2400CD2LEUA 34117.096−3.47532.9991.0022.19MOLA CATOM2401CLEUA 34115.075−1.84837.1871.0037.25MOLA CATOM2402OLEUA 34116.088−1.71737.8731.0037.74MOLA OATOM2403NASNA 34214.004−1.05737.3301.0038.91MOLA NATOM2404CAASNA 34213.9540.02338.3311.0039.52MOLA CATOM2405CBASNA 34213.9391.37537.6531.0035.78MOLA CATOM2406CGASNA 34214.8521.42936.4771.0037.08MOLA CATOM2407OD1ASNA 34214.4091.68735.3451.0034.28MOLA OATOM2408ND2ASNA 34216.1481.16936.7161.0027.36MOLA NATOM2409CASNA 34212.752−0.03639.2761.0042.31MOLA CATOM2410OASNA 34212.3540.98539.8891.0045.43MOLA OATOM2411NLEUA 34312.173−1.21139.4151.0040.90MOLA NATOM2412CALEUA 34311.038−1.34140.2881.0045.52MOLA CATOM2413CBLEUA 34310.706−2.82940.4551.0047.34MOLA CATOM2414CGLEUA 3439.766−3.31341.5581.0046.56MOLA CATOM2415CD1LEUA 34310.460−3.18842.9341.0038.71MOLA CATOM2416CD2LEUA 3438.421−2.57841.4961.0043.57MOLA CATOM2417CLEUA 34311.319−0.63941.6301.0048.16MOLA CATOM2418OLEUA 34310.4510.03142.2071.0049.81MOLA OATOM2419NGLUA 34412.535−0.79542.1291.0049.90MOLA NATOM2420CAGLUA 34412.953−0.05843.3021.0052.85MOLA CATOM2421CBGLUA 34414.485−0.04243.4031.0053.05MOLA CATOM2422CGGLUA 34415.083−1.28743.9811.0058.09MOLA CATOM2423CDGLUA 34414.475−1.59845.3251.0070.30MOLA CATOM2424OE1GLUA 34413.557−2.45345.3811.0069.94MOLA OATOM2425OE2GLUA 34414.885−0.95146.3151.0076.54MOLA OATOM2426CGLUA 34412.4751.38143.2111.0053.28MOLA CATOM2427OGLUA 34411.3501.71643.5811.0051.84MOLA OATOM2428NGLUA 34513.3672.20742.6731.0055.13MOLA NATOM2429CAGLUA 34513.2123.64742.5991.0055.92MOLA CATOM2430CBGLUA 34514.2644.22841.6541.0057.39MOLA CATOM2431CGGLUA 34515.6764.15442.2051.0058.77MOLA CATOM2432CDGLUA 34515.8835.06343.4141.0066.69MOLA CATOM2433OE1GLUA 34515.2616.15943.4761.0066.02MOLA OATOM2434OE2GLUA 34516.6914.68044.2911.0067.30MOLA OATOM2435CGLUA 34511.8274.06142.1651.0055.47MOLA CATOM2436OGLUA 34511.3945.16842.4831.0055.18MOLA OATOM2437NTHRA 34611.1293.18041.4481.0053.76MOLA NATOM2438CATHRA 3469.7513.48141.0801.0053.09MOLA CATOM2439CBTHRA 3469.1882.51340.0151.0052.35MOLA CATOM2440OG1THRA 3469.8222.75538.7541.0054.63MOLA OATOM2441CG2THRA 3467.7142.74839.8251.0054.95MOLA CATOM2442CTHRA 3468.8243.56042.3131.0052.00MOLA CATOM2443OTHRA 3467.8454.30442.3341.0053.13MOLA OATOM2444NLEUA 3479.1272.81243.3541.0050.47MOLA NATOM2445CALEUA 3478.2732.88144.5181.0049.25MOLA CATOM2446CBLEUA 3478.4501.63845.3851.0050.00MOLA CATOM2447CGLEUA 3478.4710.31944.6181.0051.98MOLA CATOM2448CD1LEUA 3478.576−0.85445.5781.0056.89MOLA CATOM2449CD2LEUA 3477.2270.19243.7651.0060.64MOLA CATOM2450CLEUA 3478.6764.11545.2861.0048.34MOLA CATOM2451OLEUA 3477.8314.85145.8091.0049.00MOLA OATOM2452NSERA 3489.9894.33045.3391.0046.83MOLA NATOM2453CASERA 34810.5745.42746.0851.0045.05MOLA CATOM2454CBSERA 34812.0765.44745.9041.0042.95MOLA CATOM2455OGSERA 34812.6336.46846.7021.0046.40MOLA OATOM2456CSERA 3489.9906.73045.5931.0044.93MOLA CATOM2457OSERA 3489.7007.62346.3751.0046.54MOLA OATOM2458NTHRA 3499.8216.82544.2861.0043.68MOLA NATOM2459CATHRA 3499.2347.98943.6851.0042.05MOLA CATOM2460CBTHRA 3499.6008.02142.2101.0040.72MOLA CATOM2461OG1THRA 34910.9128.57942.0901.0046.66MOLA OATOM2462CG2THRA 3498.6578.84641.4061.0028.87MOLA CATOM2463CTHRA 3497.7287.95943.9731.0044.91MOLA CATOM2464OTHRA 3497.1658.94444.4641.0046.53MOLA OATOM2465NLEUA 3507.0886.81543.7271.0045.51MOLA NATOM2466CALEUA 3505.6606.64544.0271.0044.55MOLA CATOM2467CBLEUA 3505.1795.29043.5571.0042.71MOLA CATOM2468CGLEUA 3504.9005.27842.0671.0040.10MOLA CATOM2469CD1LEUA 3504.4663.89141.5621.0041.17MOLA CATOM2470CD2LEUA 3503.8176.29241.8001.0045.52MOLA CATOM2471CLEUA 3505.3596.81445.5131.0047.42MOLA CATOM2472OLEUA 3504.2667.24145.8981.0047.37MOLA OATOM2473NGLUA 3516.3296.46746.3541.0048.60MOLA NATOM2474CAGLUA 3516.1846.72047.7671.0049.63MOLA CATOM2475CBGLUA 3517.3016.02748.5561.0049.31MOLA CATOM2476CGGLUA 3517.1374.51348.6971.0055.26MOLA CATOM2477CDGLUA 3515.7534.11949.2481.0072.74MOLA CATOM2478OE1GLUA 3515.0684.95849.8831.0075.89MOLA OATOM2479OE2GLUA 3515.3362.96449.0321.0068.84MOLA OATOM2480CGLUA 3516.2238.24047.9541.0049.90MOLA CATOM2481OGLUA 3515.2398.87148.3501.0048.91MOLA OATOM2482NTYRA 3527.3728.80447.6011.0050.00MOLA NATOM2483CATYRA 3527.67010.20047.7841.0049.21MOLA CATOM2484CBTYRA 3528.81510.61346.8701.0049.79MOLA CATOM2485CGTYRA 3529.27712.03447.0881.0049.85MOLA CATOM2486CD1TYRA 3528.72813.09346.3551.0055.64MOLA CATOM2487CE1TYRA 3529.16314.39846.5481.0052.24MOLA CATOM2488CZTYRA 35210.15214.64847.5071.0055.09MOLA CATOM2489OHTYRA 35210.60015.93347.7491.0043.30MOLA OATOM2490CE2TYRA 35210.70313.60648.2411.0050.19MOLA CATOM2491CD2TYRA 35210.26512.31748.0271.0044.94MOLA CATOM2492CTYRA 3526.48111.02747.4511.0049.13MOLA CATOM2493OTYRA 3526.15111.94448.1731.0048.74MOLA OATOM2494NALAA 3535.85010.70546.3341.0051.26MOLA NATOM2495CAALAA 3534.67811.45145.8591.0053.73MOLA CATOM2496CBALAA 3534.42511.13844.3931.0054.84MOLA CATOM2497CALAA 3533.40511.19646.6781.0053.67MOLA CATOM2498OALAA 3532.77912.11847.1931.0051.57MOLA OATOM2499NHISA 3543.0199.93446.7881.0055.53MOLA NATOM2500CAHISA 3541.8759.61147.6011.0055.41MOLA CATOM2501CBHISA 3541.7508.12047.8131.0056.57MOLA CATOM2502CGHISA 3540.7117.78248.8201.0057.03MOLA CATOM2503ND1HISA 354−0.6257.68448.4951.0065.19MOLA NATOM2504CE1HISA 354−1.3197.43049.5881.0069.72MOLA CATOM2505NE2HISA 354−0.4827.38550.6111.0068.04MOLA NATOM2506CD2HISA 3540.7947.60950.1581.0048.09MOLA CATOM2507CHISA 3542.00010.25348.9571.0054.87MOLA CATOM2508OHISA 3541.00610.51349.6231.0055.26MOLA OATOM2509NARGA 3553.23110.49149.3791.0055.89MOLA NATOM2510CAARGA 3553.46111.11650.6711.0057.11MOLA CATOM2511CBARGA 3554.81510.72151.2361.0055.82MOLA CATOM2512CGARGA 3555.31011.69352.2871.0057.66MOLA CATOM2513CDARGA 3556.03310.95153.3481.0062.43MOLA CATOM2514NEARGA 3556.7859.86952.7381.0061.41MOLA NATOM2515CZARGA 3558.01010.00952.2521.0055.34MOLA CATOM2516NH1ARGA 3558.62311.18552.3211.0050.19MOLA NATOM2517NH2ARGA 3558.6218.96851.7131.0052.50MOLA NATOM2518CARGA 3553.32212.63650.6531.0058.42MOLA CATOM2519OARGA 3553.03013.25951.6861.0060.78MOLA OATOM2520NALAA 3563.53813.24649.4941.0057.81MOLA NATOM2521CAALAA 3563.39914.69249.4001.0056.34MOLA CATOM2522CBALAA 3563.88315.18748.0661.0055.02MOLA CATOM2523CALAA 3561.93815.05849.6101.0055.71MOLA CATOM2524OALAA 3561.62216.00850.3261.0054.96MOLA OATOM2525NLYSA 3571.04914.27949.0061.0055.47MOLA NATOM2526CALYSA 357−0.37514.55649.1031.0057.60MOLA CATOM2527CBLYSA 357−0.77715.63548.0991.0057.01MOLA CATOM2528CGLYSA 357−2.25615.87447.9641.0055.50MOLA CATOM2529CDLYSA 357−2.57616.39346.5441.0058.35MOLA CATOM2530CELYSA 357−4.01816.11546.1361.0060.09MOLA CATOM2531NZLYSA 357−4.35216.67944.8121.0066.54MOLA NATOM2532CLYSA 357−1.18613.28148.9311.0059.16MOLA CATOM2533OLYSA 357−1.59612.90547.8301.0057.93MOLA OATOM2534NASNA 358−1.39912.61850.0591.0062.51MOLA NATOM2535CAASNA 358−2.15211.38550.1161.0064.97MOLA CATOM2536CBASNA 358−2.03010.80651.5301.0064.44MOLA CATOM2537CGASNA 358−3.0889.77151.8311.0066.77MOLA CATOM2538OD1ASNA 358−3.4919.01150.9511.0073.15MOLA OATOM2539ND2ASNA 358−3.5459.72753.0861.0062.82MOLA NATOM2540CASNA 358−3.63111.53849.7291.0067.04MOLA CATOM2541OASNA 358−4.35212.34950.3231.0068.00MOLA OATOM2542NILEA 359−4.05510.80348.6961.0068.18MOLA NATOM2543CAILEA 359−5.47710.54048.4771.0069.52MOLA CATOM2544CBILEA 359−5.99710.78647.0431.0069.03MOLA CATOM2545CG1ILEA 359−5.09911.73346.2401.0072.16MOLA CATOM2546CD1ILEA 359−5.56711.90244.7751.0069.02MOLA CATOM2547CG2ILEA 359−7.50011.21647.0761.0068.13MOLA CATOM2548CILEA 359−5.6539.04848.7111.0070.93MOLA CATOM2549OILEA 359−4.6768.29248.6581.0071.34MOLA OATOM2550NLEUA 360−6.8978.62448.9471.0072.34MOLA NATOM2551CALEUA 360−7.2157.21149.1511.0071.59MOLA CATOM2552CBLEUA 360−8.4537.01250.0471.0070.74MOLA CATOM2553CGLEUA 360−8.5417.42251.5081.0062.91MOLA CATOM2554CD1LEUA 360−7.2347.07852.2561.0031.33MOLA CATOM2555CD2LEUA 360−8.9148.90851.5861.0062.18MOLA CATOM2556CLEUA 360−7.5276.51347.8481.0073.27MOLA CATOM2557OLEUA 360−8.2227.05446.9761.0072.72MOLA OATOM2558NASNA 361−7.0355.28847.7341.0074.56MOLA NATOM2559CAASNA 361−7.5284.41646.7091.0076.50MOLA CATOM2560CBASNA 361−6.9183.02046.8671.0076.34MOLA CATOM2561CGASNA 361−5.4542.98146.4891.0075.23MOLA CATOM2562OD1ASNA 361−5.1083.02345.3021.0074.44MOLA OATOM2563ND2ASNA 361−4.5812.89747.4951.0062.68MOLA NATOM2564CASNA 361−9.0494.37946.8791.0077.89MOLA CATOM2565OASNA 361−9.5624.20847.9911.0077.24MOLA OATOM2566NLYSA 362−9.7624.58945.7821.0080.60MOLA NATOM2567CALYSA 362−11.2184.54945.7951.0083.61MOLA CATOM2568CBLYSA 362−11.7945.22644.5381.0083.44MOLA CATOM2569CGLYSA 362−11.4596.69844.3491.0081.17MOLA CATOM2570CDLYSA 362−12.6547.43743.7741.0071.20MOLA CATOM2571CELYSA 362−13.8047.38144.7841.0072.07MOLA CATOM2572NZLYSA 362−14.8488.40844.5791.0061.80MOLA NATOM2573CLYSA 362−11.7603.12145.8351.0086.40MOLA CATOM2574OLYSA 362−11.0672.16745.4641.0085.91MOLA OATOM2575NPROA 363−13.0062.96646.3131.0089.59MOLA NATOM2576CAPROA 363−13.7171.72346.0331.0091.20MOLA CATOM2577CBPROA 363−14.7001.60047.2061.0091.35MOLA CATOM2578CGPROA 363−14.8533.01347.7781.0089.38MOLA CATOM2579CDPROA 363−13.7943.89847.1481.0089.66MOLA CATOM2580CPROA 363−14.4551.87244.6911.0093.09MOLA CATOM2581OPROA 363−15.4152.64444.5941.0093.47MOLA OATOM2582NGLUA 364−13.9821.16943.6631.0094.94MOLA NATOM2583CAGLUA 364−14.5861.18742.3191.0097.13MOLA CATOM2584CBGLUA 364−14.0090.04641.4721.0097.14MOLA CATOM2585CGGLUA 364−12.529−0.22741.6741.0098.55MOLA CATOM2586CDGLUA 364−12.225−0.93942.9871.0098.82MOLA CATOM2587OE1GLUA 364−11.260−1.71943.0231.0098.10MOLA OATOM2588OE2GLUA 364−12.943−0.73243.9861.00102.58MOLA OATOM2589CGLUA 364−16.1201.05642.3441.0098.73MOLA CATOM2590OGLUA 364−16.6870.55543.3241.0099.55MOLA OATOM2591NVALA 365−16.7871.49841.2691.0099.92MOLA NATOM2592CAVALA 365−18.2591.39041.1641.00100.66MOLA CATOM2593CBVALA 365−18.8852.26540.0071.00100.98MOLA CATOM2594CG1VALA 365−18.3531.86338.6261.0098.65MOLA CATOM2595CG2VALA 365−20.4142.18240.0361.0099.03MOLA CATOM2596CVALA 365−18.711−0.07141.0431.00101.08MOLA CATOM2597OVALA 365−19.759−0.44841.5841.00101.34MOLA OATOM2598OXTVALA 365−18.032−0.89640.4181.00100.86MOLA OATOM2627NGLYB 1649.852−16.82848.5751.0067.44MOLB NATOM2628CAGLYB 1648.362−16.71748.6611.0068.00MOLB CATOM2629CGLYB 1647.686−16.51247.3151.0067.73MOLB CATOM2630OGLYB 1646.879−15.58747.1361.0068.16MOLB OATOM2631NLYSB 1747.983−17.40946.3831.0066.62MOLB NATOM2632CALYSB 1747.542−17.27144.9961.0066.62MOLB CATOM2633CBLYSB 1748.708−17.61944.0431.0068.23MOLB CATOM2634CGLYSB 1749.877−18.41344.7081.0073.19MOLB CATOM2635CDLYSB 1749.566−19.90344.9811.0079.14MOLB CATOM2636CELYSB 1750.221−20.83343.9561.0076.91MOLB CATOM2637NZLYSB 1749.935−20.44442.5411.0075.15MOLB NATOM2638CLYSB 1746.270−18.02144.5801.0064.48MOLB CATOM2639OLYSB 1745.854−17.90443.4281.0063.40MOLB OATOM2640NASNB 1845.651−18.77645.4901.0062.11MOLB NATOM2641CAASNB 1844.501−19.61845.1051.0060.45MOLB CATOM2642CBASNB 1844.203−20.70046.1391.0061.32MOLB CATOM2643CGASNB 1845.341−21.67746.3021.0070.23MOLB CATOM2644OD1ASNB 1845.129−22.83246.7061.0085.28MOLB OATOM2645ND2ASNB 1846.566−21.22645.9911.0072.98MOLB NATOM2646CASNB 1843.247−18.83544.8671.0056.63MOLB CATOM2647OASNB 1842.259−19.37044.3731.0056.50MOLB OATOM2648NILEB 1943.286−17.57145.2541.0053.45MOLB NATOM2649CAILEB 1942.154−16.69045.0651.0051.75MOLB CATOM2650CBILEB 1941.520−16.29646.3941.0050.63MOLB CATOM2651CG1ILEB 1941.239−17.53747.2501.0051.81MOLB CATOM2652CD1ILEB 1942.429−18.04148.0711.0050.95MOLB CATOM2653CG2ILEB 1940.261−15.49246.1431.0050.50MOLB CATOM2654CILEB 1942.602−15.41544.3721.0051.48MOLB CATOM2655OILEB 1943.388−14.63944.9391.0052.52MOLB OATOM2656NGLNB 2042.120−15.20243.1491.0048.27MOLB NATOM2657CAGLNB 2042.483−14.00742.4091.0046.07MOLB CATOM2658CBGLNB 2042.827−14.30940.9371.0047.87MOLB CATOM2659CGGLNB 2044.104−15.16940.7021.0054.26MOLB CATOM2660CDGLNB 2045.378−14.60641.3641.0058.06MOLB CATOM2661OE1GLNB 2046.428−14.52040.7371.0047.76MOLB OATOM2662NE2GLNB 2045.276−14.22442.6331.0066.38MOLB NATOM2663CGLNB 2041.294−13.11342.4531.0042.72MOLB CATOM2664OGLNB 2040.161−13.60742.4251.0043.93MOLB OATOM2665NVALB 2141.554−11.81042.5561.0038.10MOLB NATOM2666CAVALB 2140.531−10.78842.3631.0033.42MOLB CATOM2667CBVALB 2140.312−9.95443.5881.0032.56MOLB CATOM2668CG1VALB 2139.265−8.92743.2901.0033.13MOLB CATOM2669CG2VALB 2139.821−10.82744.6921.0030.11MOLB CATOM2670CVALB 2140.881−9.87441.1941.0031.27MOLB CATOM2671OVALB 2141.956−9.26841.1461.0032.61MOLB OATOM2672NVALB 2239.981−9.79340.2301.0028.90MOLB NATOM2673CAVALB 2240.227−8.94239.0821.0027.60MOLB CATOM2674CBVALB 2240.484−9.76737.8691.0025.94MOLB CATOM2675CG1VALB 2241.525−10.73938.2151.0025.88MOLB CATOM2676CG2VALB 2239.233−10.51537.5011.0026.29MOLB CATOM2677CVALB 2239.005−8.09838.8601.0025.65MOLB CATOM2678OVALB 2237.927−8.44439.3541.0024.96MOLB OATOM2679NVALB 2339.190−7.03438.0851.0023.80MOLB NATOM2680CAVALB 2338.189−5.99737.8231.0024.70MOLB CATOM2681CBVALB 2338.758−4.61038.2551.0026.05MOLB CATOM2682CG1VALB 2338.123−3.47837.4581.0018.88MOLB CATOM2683CG2VALB 2338.629−4.38239.8051.0028.41MOLB CATOM2684CVALB 2337.861−5.84136.3471.0023.97MOLB CATOM2685OVALB 2338.776−5.58435.5511.0023.73MOLB OATOM2686NARGB 2436.590−5.95235.9461.0022.36MOLB NATOM2687CAARGB 2436.306−5.65834.5301.0022.78MOLB CATOM2688CBARGB 2435.635−6.80833.8181.0020.50MOLB˜CATOM2689CGARGB 2435.712−6.68732.2771.0019.71MOLB CATOM2690CDARGB 2434.608−7.53531.6051.0029.94MOLB CATOM2691NEARGB 2434.915−7.87930.2191.0027.31MOLB NATOM2692CZARGB 2434.031−8.27529.3061.0029.72MOLB CATOM2693NH1ARGB 2432.750−8.35229.6011.0046.30MOLB NATOM2694NH2ARGB 2434.426−8.56428.0751.0037.50MOLB NATOM2695CARGB 2435.445−4.43334.3361.0026.95MOLB CATOM2696OARGB 2434.229−4.48534.5451.0031.03MOLB OATOM2697NCYSB 2536.049−3.33133.9201.0028.05MOLB NATOM2698CACYSB 2535.255−2.15333.6131.0029.45MOLB CATOM2699CBCYSB 2536.101−0.87733.7721.0032.05MOLB CATOM2700SGCYSB 2535.2840.75033.4861.0036.49MOLB SATOM2701CCYSB 2534.696−2.27432.1761.0029.65MOLB CATOM2702OCYSB 2535.361−2.82631.2751.0027.30MOLB OATOM2703NARGB 2633.472−1.76331.9881.0029.26MOLB NATOM2704CAARGB 2632.772−1.76830.7031.0027.40MOLB CATOM2705CBARGB 2631.348−2.25930.8721.0025.59MOLB CATOM2706CGARGB 2630.505−1.50431.8831.0024.85MOLB CATOM2707CDARGB 2629.122−1.34331.2761.0034.12MOLB CATOM2708NEARGB 2628.126−0.72032.1451.0034.06MOLB NATOM2709CZARGB 2627.9390.59332.2591.0027.37MOLB CATOM2710NH1ARGB 2628.6931.43531.5901.0034.94MOLB NATOM2711NH2ARGB 2627.0031.06733.0581.0026.97MOLB NATOM2712CARGB 2632.718−0.37930.0991.0031.22MOLB CATOM2713OARGB 2632.9500.60730.7891.0033.06MOLB OATOM2714NPROB 2732.465−0.30128.7841.0033.52MOLB NATOM2715CAPROB 2732.2560.96528.1091.0032.43MOLB CATOM2716CBPROB 2731.9750.53626.6731.0028.16MOLB CATOM2717CGPROB 2732.692−0.76326.5421.0033.76MOLB CATOM2718CDPROB 2732.443−1.43527.8321.0034.27MOLB CATOM2719CPROB 2731.0531.72928.6591.0036.37MOLB CATOM2720OPROB 2730.2831.17329.4461.0035.98MOLB OATOM2721NPHEB 2830.9343.00528.2581.0039.39MOLB NATOM2722CAPHEB 2829.7833.85828.5341.0039.95MOLB CATOM2723CBPHEB 2830.0445.24627.9581.0042.91MOLB CATOM2724CGPHEB 2830.7026.18728.9051.0040.70MOLB CATOM2725CD1PHEB 2832.0506.05929.1981.0029.93MOLB CATOM2726CE1PHEB 2832.6586.92830.0861.0034.51MOLB CATOM2727CZPHEB 2831.9067.94530.6821.0043.73MOLB CATOM2728CE2PHEB 2830.5478.08230.3981.0025.40MOLB CATOM2729CD2PHEB 2829.9587.20829.5061.0034.41MOLB CATOM2730CPHEB 2828.5943.27727.8041.0039.54MOLB CATOM2731OPHEB 2828.7742.37926.9971.0037.28MOLB OATOM2732NASNB 2927.3933.80428.0621.0039.86MOLB NATOM2733CAASNB 2926.1613.36227.3721.0039.28MOLB CATOM2734CBASNB 2925.4412.35128.2431.0035.94MOLB CATOM2735CGASNB 2924.9822.95329.5331.0034.89MOLB CATOM2736OD1ASNB 2924.4854.06829.5551.0056.35MOLB OATOM2737ND2ASNB 2925.1572.24530.6161.0038.82MOLB NATOM2738CASNB 2925.2324.57427.0341.0042.73MOLB CATOM2739OASNB 2925.3915.66527.6101.0042.78MOLB OATOM2740NLEUB 3024.2684.40226.1231.0042.32MOLB NATOM2741CALEUB 3023.4445.53225.6731.0043.06MOLB CATOM2742CBLEUB 3022.2455.04324.8521.0042.00MOLB CATOM2743CGLEUB 3022.7873.78724.1111.0059.69MOLB CATOM2744CD1LEUB 3021.8072.57123.9811.0064.76MOLB CATOM2745CD2LEUB 3023.4574.12122.7431.0070.18MOLB CATOM2746CLEUB 3022.9996.40326.8531.0041.35MOLB CATOM2747OLEUB 3022.8847.61626.7141.0040.90MOLB OATOM2748NALAB 3122.7675.80428.0161.0038.13MOLB NATOM2749CAALAB 3122.2886.58029.1541.0037.09MOLB CATOM2750CBALAB 3121.6165.67230.2031.0033.64MOLB CATOM2751CALAB 3123.4137.43929.7781.0039.08MOLB CATOM2752OALAB 3123.2858.66529.9791.0039.11MOLB OATOM2753NGLUB 3224.5346.81130.0761.0038.01MOLB NATOM2754CAGLUB 3225.6047.58530.6471.0039.16MOLB CATOM2755CBGLUB 3226.7086.65131.1451.0041.01MOLB CATOM2756CGGLUB 3226.1795.44732.0081.0037.13MOLB CATOM2757CDGLUB 3227.2444.36532.2251.0040.72MOLB CATOM2758OE1GLUB 3227.8003.83931.2171.0046.16MOLB OATOM2759OE2GLUB 3227.5284.04833.4001.0029.76MOLB OATOM2760CGLUB 3226.0748.69029.6641.0039.35MOLB CATOM2761OGLUB 3226.2869.83130.0741.0040.42MOLB OATOM2762NARGB 3326.1888.36828.3781.0039.87MOLB NATOM2763CAARGB 3326.4289.38427.3481.0042.32MOLB CATOM2764CBARGB 3326.5388.76225.9541.0038.68MOLB CATOM2765CGARGB 3327.7417.86925.7131.0047.84MOLB CATOM2766CDARGB 3329.0528.62825.7231.0038.67MOLB CATOM2767NEARGB 3330.1737.70225.7681.0041.22MOLB NATOM2768CZARGB 3331.4258.06326.0311.0051.35MOLB CATOM2769NH1ARGB 3331.7419.33426.2551.0036.01MOLB NATOM2770NH2ARGB 3332.3747.14926.0591.0055.68MOLB NATOM2771CARGB 3325.28710.41927.2911.0045.45MOLB CATOM2772OARGB 3325.52711.62427.1151.0044.61MOLB OATOM2773NLYSB 3424.0509.93127.4171.0047.40MOLB NATOM2774CALYSB 3422.84710.74327.2171.0047.67MOLB CATOM2775CBLYSB 3421.6029.83327.1741.0047.53MOLB CATOM2776CGLYSB 3420.51710.10926.1101.0049.52MOLB CATOM2777CDLYSB 3419.7618.79525.7091.0047.73MOLB CATOM2778CELYSB 3419.4367.90326.9701.0068.68MOLB CATOM2779NZLYSB 3419.1286.41426.8121.0053.10MOLB NATOM2780CLYSB 3422.78911.73228.3691.0047.18MOLB CATOM2781OLYSB 3422.28812.84228.2161.0047.27MOLB OATOM2782NALAB 3523.32611.33729.5211.0047.62MOLB NATOM2783CAALAB 3523.39212.24230.6831.0048.63MOLB CATOM2784CBALAB 3523.01911.51131.9691.0048.66MOLB CATOM2785CALAB 3524.79512.85030.7731.0048.63MOLB CATOM2786OALAB 3525.18113.49831.7591.0044.96MOLB OATOM2787NSERB 3625.54812.63229.7021.0049.44MOLB NATOM2788CASERB 3626.92213.06929.6231.0049.83MOLB CATOM2789CBSERB 3627.02814.45428.9811.0050.54MOLB CATOM2790OGSERB 3625.97415.27429.4241.0054.05MOLB OATOM2791CSERB 3627.55713.09330.9891.0048.50MOLB CATOM2792OSERB 3627.87814.17531.4751.0048.31MOLB OATOM2793NALAB 3727.71611.91131.6041.0045.51MOLB NATOM2794CAALAB 3728.51411.77732.8161.0042.20MOLB CATOM2795CBALAB 3728.18110.51433.4921.0038.70MOLB CATOM2796CALAB 3729.94811.76232.2951.0043.11MOLB CATOM2797OALAB 3730.13411.56531.0941.0045.99MOLB OATOM2798NHISB 3830.96311.98933.1301.0040.78MOLB NATOM2799CAHISB 3832.33811.83832.6321.0038.39MOLB CATOM2800CBHISB 3833.29412.85833.2311.0039.55MOLB CATOM2801CGHISB 3832.83914.27033.1271.0044.07MOLB CATOM2802ND1HISB 3832.61814.89531.9201.0049.71MOLB NATOM2803CE1HISB 3832.23816.14132.1411.0056.57MOLB CATOM2804NE2HISB 3832.22416.35233.4451.0056.96MOLB NATOM2805CD2HISB 3832.61015.19934.0831.0051.54MOLB CATOM2806CHISB 3832.90510.47432.9941.0038.30MOLB CATOM2807OHISB 3832.4229.79833.9081.0040.40MOLB OATOM2808NSERB 3933.95910.07632.2951.0037.44MOLB NATOM2809CASERB 3934.6658.86032.6351.0037.23MOLB CATOM2810CBSERB 3935.7188.53031.5981.0037.79MOLB CATOM2811OGSERB 3936.6707.65532.1731.0035.18MOLB OATOM2812CSERB 3935.3889.09133.9211.0037.59MOLB CATOM2813OSERB 3936.13210.06034.0401.0041.37MOLB OATOM2814NILEB 4035.2248.20934.8911.0034.87MOLB NATOM2815CAILEB 4035.9528.44336.1251.0030.82MOLB CATOM2816CBILEB 4035.1079.21237.1571.0027.24MOLB CATOM2817CG1ILEB 4033.7988.50337.4041.0022.21MOLB CATOM2818CD1ILEB 4033.4988.43338.8441.0018.59MOLB CATOM2819CG2ILEB 4034.79410.55736.6451.0022.87MOLB CATOM2820CILEB 4036.5217.17636.7161.0031.51MOLB CATOM2821OILEB 4036.2606.90037.8941.0032.67MOLB OATOM2822NVALB 4137.3086.45435.8911.0027.58MOLB NATOM2823CAVALB 4137.9295.16236.1781.0024.89MOLB CATOM2824CBVALB 4136.9703.96435.9311.0022.25MOLB CATOM2825CG1VALB 4137.6352.62336.2911.0021.12MOLB CATOM2826CG2VALB 4135.7014.09836.6831.0023.43MOLB CATOM2827CVALB 4139.0054.95835.1351.0030.52MOLB CATOM2828OVALB 4138.7184.89233.9521.0030.07MOLB OATOM2829NGLUB 4240.2544.81035.5241.0036.76MOLB NATOM2830CAGLUB 4241.2554.53734.5051.0039.80MOLB CATOM2831CBGLUB 4242.2145.75234.4011.0041.54MOLB CATOM2832CGGLUB 4243.5045.62433.5431.0051.98MOLB CATOM2833CDGLUB 4244.7885.47034.3921.0074.51MOLB CATOM2834OE1GLUB 4245.0946.38135.2081.0070.48MOLB OATOM2835OE2GLUB 4245.4964.44334.2301.0087.71MOLB OATOM2836CGLUB 4241.8523.13934.8201.0041.19MOLB CATOM2837OGLUB 4241.7382.67335.9641.0041.75MOLB OATOM2838NCYSB 4342.3962.42633.8271.0041.79MOLB NATOM2839CACYSB 4342.7851.02334.0801.0043.13MOLB CATOM2840CBCYSB 4341.7780.05333.4771.0042.51MOLB CATOM2841SGCYSB 4340.388−0.29134.5461.0053.97MOLB SATOM2842CCYSB 4344.1760.60233.6551.0043.17MOLB CATOM2843OCYSB 4344.3950.16232.5391.0042.87MOLB OATOM2844NASPB 4445.1030.68534.5901.0043.81MOLB NATOM2845CAASPB 4446.4640.28234.3471.0043.28MOLB CATOM2846CBASPB 4447.3681.00535.3391.0045.34MOLB CATOM2847CGASPB 4448.7261.29534.7691.0049.67MOLB CATOM2848OD1ASPB 4449.4580.32434.3951.0043.56MOLB OATOM2849OD2ASPB 4449.0342.51134.7091.0058.91MOLB OATOM2850CASPB 4446.657−1.22634.5011.0040.55MOLB CATOM2851OASPB 4446.668−1.73735.6191.0035.88MOLB OATOM2852NPROB 4546.783−1.94633.3771.0040.99MOLB NATOM2853CAPROB 4547.091−3.36133.4231.0042.69MOLB CATOM2854CBPROB 4546.494−3.89532.1151.0041.37MOLB CATOM2855CGPROB 4545.858−2.72131.4371.0039.08MOLB CATOM2856CDPROB 4546.552−1.52631.9971.0040.95MOLB CATOM2857CPROB 4548.586−3.63633.4591.0045.48MOLB CATOM2858OPROB 4548.980−4.78933.4911.0046.72MOLB OATOM2859NVALB 4649.423−2.60233.4411.0048.79MOLB NATOM2860CAVALB 4650.848−2.84433.6281.0050.77MOLB CATOM2861CBVALB 4651.730−1.64333.2751.0052.48MOLB CATOM2862CG1VALB 4653.195−2.12233.0991.0055.74MOLB CATOM2863CG2VALB 4651.200−0.86932.0481.0055.62MOLB CATOM2864CVALB 4651.043−3.00935.1121.0049.88MOLB CATOM2865OVALB 4651.495−4.04935.5921.0050.88MOLB OATOM2866NARGB 4750.709−1.93135.8201.0047.46MOLB NATOM2867CAARGB 4750.840−1.84137.2561.0045.24MOLB CATOM2868CBARGB 4751.188−0.39937.6651.0044.70MOLB CATOM2869CGARGB 4750.1790.65737.2201.0047.75MOLB CATOM2870CDARGB 4750.6512.11737.4261.0050.43MOLB CATOM2871NEARGB 4750.8312.49938.8341.0050.16MOLB NATOM2872CZARGB 4751.9742.33139.4981.0045.10MOLB CATOM2873NH1ARGB 4753.0051.78038.8771.0023.22MOLB NATOM2874NH2ARGB 4752.0892.69540.7721.0036.33MOLB NATOM2875CARGB 4749.543−2.29937.8801.0042.95MOLB CATOM2876OARGB 4749.203−1.91938.9831.0043.70MOLB 0ATOM2877NLYSB 4848.806−3.10437.1371.0042.37MOLB NATOM2878CALYSB 4847.572−3.74137.6111.0043.58MOLB CATOM2879CBLYSB 4847.903−5.14538.1741.0042.11MOLB CATOM2880CGLYSB 4848.776−5.97637.1941.0047.76MOLB CATOM2881CDLYSB 4848.829−7.48637.4591.0049.64MOLB CATOM2882CELYSB 4849.426−7.83638.8151.0064.15MOLB CATOM2883NZLYSB 4848.478−7.53439.9301.0069.47MOLB NATOM2884CLYSB 4846.700−2.92238.5811.0040.68MOLB CATOM2885OLYSB 4846.380−3.37739.6561.0041.26MOLB OATOM2886NGLUB 4946.290−1.72438.1881.0040.42MOLB NATOM2887CAGLUB 4945.467−0.90139.0671.0039.71MOLB CATOM2888CBGLUB 4946.2650.25739.6601.0039.12MOLB CATOM2889CGGLUB 4947.694−0.04640.0741.0046.55MOLB CATOM2890CDGLUB 4948.5361.21840.3181.0042.69MOLB CATOM2891OE1GLUB 4949.5221.13541.0781.0049.15MOLB OATOM2892OE2GLUB 4948.2112.28739.7641.0042.57MOLB OATOM2893CGLUB 4944.282−0.27738.3651.0038.63MOLB CATOM2894OGLUB 4944.3080.04537.1761.0036.79MOLB OATOM2895NVALB 5043.245−0.05739.1441.0038.50MOLB NATOM2896CAVALB 5042.1120.68538.6801.0040.06MOLB CATOM2897CBVALB 5040.831−0.13238.8531.0039.58MOLB CATOM2898CG1VALB 5040.828−0.78540.2071.0045.33MOLB CATOM2899CG2VALB 5039.6040.74338.7031.0040.41MOLB CATOM2900CVALB 5042.0991.84439.6271.0039.46MOLB CATOM2901OVALB 5042.5581.68540.7581.0038.74MOLB OATOM2902NSERB 5141.6223.00839.1821.0041.44MOLB NATOM2903CASERB 5141.4664.18340.0981.0044.61MOLB CATOM2904CBSERB 5142.7614.97740.2531.0043.47MOLB CATOM2905OGSERB 5142.9865.78939.1211.0050.34MOLB OATOM2906CSERB 5140.3435.13039.6901.0043.14MOLB CATOM2907OSERB 5140.1505.41038.5091.0043.99MOLB OATOM2908NVALB 5239.5985.61140.6701.0042.43MOLB NATOM2909CAVALB 5238.4666.45640.3591.0044.07MOLB CATOM2910CBVALB 5237.1375.92940.9901.0044.92MOLB CATOM2911CG1VALB 5237.2724.45041.4681.0045.35MOLB CATOM2912CG2VALB 5236.6796.80542.1191.0043.21MOLB CATOM2913CVALB 5238.7317.91740.7551.0045.26MOLB CATOM2914OVALB 5239.3318.19541.8011.0045.52MOLB OATOM2915NARGB 5338.3048.83839.8931.0044.11MOLB NATOM2916CAARGB 5338.39610.27140.1501.0044.32MOLB CATOM2917CBARGB 5338.51811.01638.8121.0043.45MOLB CATOM2918CGARGB 5338.44712.55138.9011.0053.47MOLB CATOM2919CDARGB 5337.54613.17037.7831.0060.68MOLB CATOM2920NEARGB 5338.03413.10536.3791.0070.66MOLB NATOM2921CZARGB 5339.04312.37235.8791.0052.89MOLB CATOM2922NH1ARGB 5339.30912.48234.5821.0032.02MOLB NATOM2923NH2ARGB 5339.77811.54736.6381.0028.77MOLB NATOM2924CARGB 5337.17410.74940.9791.0042.68MOLB CATOM2925OARGB 5336.04810.36140.7291.0038.54MOLB OATOM2926NTHRB 5437.35911.63441.9421.0044.91MOLB NATOM2927CATHRB 5436.22711.82742.8241.0046.57MOLB CATOM2928CBTHRB 5436.40810.83143.9541.0045.18MOLB CATOM2929OG1THRB 5435.67611.27045.1051.0052.74MOLB OATOM2930CG2THRB 5437.88010.70244.2581.0038.83MOLB CATOM2931CTHRB 5435.74413.22043.3561.0047.50MOLB CATOM2932OTHRB 5434.83813.26444.1971.0047.74MOLB OATOM2933NGLYB 5536.25814.33442.8321.0047.91MOLB NATOM2934CAGLYB 5535.95515.67543.4001.0047.46MOLB CATOM2935CGLYB 5534.77616.47542.8531.0048.56MOLB CATOM2936OGLYB 5534.62617.68243.1281.0047.26MOLB OATOM2937NSERB 6140.60717.35141.5871.0065.30MOLB NATOM2938CASERB 6140.85916.25940.6421.0066.58MOLB CATOM2939CBSERB 6141.62916.74839.4161.0067.98MOLB CATOM2940OGSERB 6143.02816.66639.6501.0066.55MOLB OATOM2941CSERB 6141.64615.13141.3021.0065.61MOLB CATOM2942OSERB 6142.60514.59140.7261.0064.06MOLB OATOM2943NSERB 6241.22014.78342.5091.0063.42MOLB NATOM2944CASERB 6241.81113.70643.2701.0063.00MOLB CATOM2945CBSERB 6241.32413.83944.7051.0063.98MOLB CATOM2946OGSERB 6240.96415.18944.9581.0063.89MOLB OATOM2947CSERB 6241.40412.33642.7091.0061.72MOLB CATOM2948OSERB 6240.55312.25941.8211.0060.65MOLB OATOM2949NARGB 6342.01511.27243.2391.0060.30MOLB NATOM2950CAARGB 6341.6999.88342.8841.0059.96MOLB CATOM2951CBARGB 6342.6249.34841.7731.0059.24MOLB CATOM2952CGARGB 6342.74810.19140.4681.0069.71MOLB CATOM2953CDARGB 6341.7089.83039.3661.0088.13MOLB CATOM2954NEARGB 6342.2459.07838.2191.0089.04MOLB NATOM2955CZARGB 6341.5078.37637.3501.0090.85MOLB CATOM2956NH1ARGB 6340.1858.28237.4841.0090.46MOLB NATOM2957NH2ARGB 6342.0937.74736.3431.0088.42MOLB NATOM2958CARGB 6341.8848.98244.1111.0059.65MOLB CATOM2959OARGB 6342.6739.27845.0111.0062.43MOLB OATOM2960NLYSB 6441.1597.87644.1571.0057.77MOLB NATOM2961CALYSB 6441.4386.84245.1421.0055.50MOLB CATOM2962CBLYSB 6440.1916.52345.9851.0056.16MOLB CATOM2963CGLYSB 6440.4736.11347.4511.0058.15MOLB CATOM2964CDLYSB 6440.9924.66547.5781.0065.76MOLB CATOM2965CELYSB 6441.5594.33848.9661.0057.99MOLB CATOM2966NZLYSB 6443.0354.55949.0171.0070.80MOLB NATOM2967CLYSB 6441.8985.64744.3011.0053.22MOLB CATOM2968OLYSB 6441.2615.30943.3101.0054.33MOLB OATOM2969NTHRB 6543.0245.03844.6461.0051.38MOLB NATOM2970CATHRB 6543.5493.94143.8291.0048.28MOLB CATOM2971CBTHRB 6544.9574.25443.2831.0047.72MOLB CATOM2972OG1THRB 6544.8675.39542.4321.0046.44MOLB OATOM2973CG2THRB 6545.5183.11142.4741.0034.71MOLB CATOM2974CTHRB 6543.5432.62844.5651.0048.20MOLB CATOM2975OTHRB 6543.7692.56945.7671.0049.90MOLB OATOM2976NTYRB 6643.2691.57743.8141.0046.91MOLB NATOM2977CATYRB 6643.2480.22644.3301.0046.29MOLB CATOM2978CBTYRB 6641.842−0.34544.1541.0044.34MOLB CATOM2979CGTYRB 6640.8270.38444.9731.0041.75MOLB CATOM2980CD1TYRB 6640.0961.45344.4461.0033.68MOLB CATOM2981CE1TYRB 6639.1672.11645.2091.0021.51MOLB CATOM2982CZTYRB 6638.9901.71546.5261.0032.53MOLB CATOM2983OHTYRB 6638.1052.32447.3591.0033.30MOLB OATOM2984CE2TYRB 6639.7010.66847.0631.0043.15MOLB CATOM2985CD2TYRB 6640.6080.01346.2891.0046.02MOLB CATOM2986CTYRB 6644.221−0.63343.5451.0046.63MOLB CATOM2987OTYRB 6644.642−0.27642.4441.0048.62MOLB OATOM2988NTHRB 6744.561−1.78744.0881.0046.24MOLB NATOM2989CATHRB 6745.347−2.73743.3161.0044.87MOLB CATOM2990CBTHRB 6746.703−2.94043.9771.0045.22MOLB CATOM2991OG1THRB 6747.221−1.65644.3411.0051.06MOLB OATOM2992CG2THRB 6747.687−3.62443.0221.0048.59MOLB CATOM2993CTHRB 6744.590−4.06043.1711.0041.23MOLB CATOM2994OTHRB 6743.797−4.42544.0401.0041.71MOLB OATOM2995NPHEB 6844.798−4.76742.0701.0037.22MOLB NATOM2996CAPHEB 6844.165−6.07841.9201.0034.71MOLB CATOM2997CBPHEB 6842.751−5.96241.3211.0032.75MOLB CATOM2998CGPHEB 6841.815−5.23342.2101.0026.70MOLB CATOM2999CD1PHEB 6841.567−3.88842.0231.0034.16MOLB CATOM3000CE1PHEB 6840.738−3.17842.9071.0028.22MOLB CATOM3001CZPHEB 6840.164−3.81443.9751.0019.92MOLB CATOM3002CE2PHEB 6840.424−5.15644.1961.0030.84MOLB CATOM3003CD2PHEB 6841.268−5.85743.3171.0034.23MOLB CATOM3004CPHEB 6845.047−7.07241.1761.0034.37MOLB CATOM3005OPHEB 6846.131−6.71340.6851.0033.37MOLB OATOM3006NASPB 6944.593−8.32041.1241.0032.58MOLB NATOM3007CAASPB 6945.378−9.35240.5051.0033.59MOLB CATOM3008CBASPB 6944.776−10.72340.7941.0033.43MOLB CATOM3009CGASPB 6944.966−11.13842.2511.0037.59MOLB CATOM3010OD1ASPB 6946.126−11.11842.7261.0039.95MOLB OATOM3011OD2ASPB 6943.968−11.46542.9241.0032.36MOLB OATOM3012CASPB 6945.460−9.04339.0361.0034.70MOLB CATOM3013OASPB 6946.498−9.22338.4291.0034.35MOLB OATOM3014NMETB 7044.357−8.53638.4911.0038.63MOLB NATOM3015CAMETB 7044.256−8.08837.0971.0042.29MOLB CATOM3016CBMETB 7043.829−9.21536.1731.0041.08MOLB CATOM3017CGMETB 7044.985−9.87835.4721.0053.93MOLB CATOM3018SDMETB 7044.621−11.52134.8071.0056.46MOLB SATOM3019CEMETB 7046.059−11.68433.6961.0058.97MOLB CATOM3020CMETB 7043.224−7.00436.9901.0040.16MOLB CATOM3021OMETB 7042.281−6.93537.7941.0041.12MOLB OATOM3022NVALB 7143.394−6.16535.9801.0036.98MOLB NATOM3023CAVALB 7142.475−5.09235.7551.0034.68MOLB CATOM3024CBVALB 7143.106−3.78136.0901.0034.67MOLB CATOM3025CG1VALB 7142.025−2.69636.0611.0044.30MOLB CATOM3026CG2VALB 7143.802−3.83437.4291.0030.24MOLB CATOM3027CVALB 7142.111−5.03234.2781.0034.38MOLB CATOM3028OVALB 7143.065−4.79233.4881.0035.41MOLB OATOM3029NPHEB 7240.915−5.25533.9031.0033.74MOLB NATOM3030CAPHEB 7240.520−5.24432.5081.0030.90MOLB CATOM3031CBPHEB 7239.660−6.47232.1731.0032.91MOLB CATOM3032CGPHEB 7240.347−7.76732.4241.0025.57MOLB CATOM3033CD1PHEB 7241.172−8.32731.4491.0017.97MOLB CATOM3034CE1PHEB 7241.864−9.53631.7011.0017.19MOLB CATOM3035CZPHEB 7241.693−10.19732.9401.0021.92MOLB CATOM3036CE2PHEB 7240.852−9.64133.9111.0015.60MOLB CATOM3037CD2PHEB 7240.194−8.42033.6451.0017.87MOLB CATOM3038CPHEB 7239.748−3.98232.2571.0031.27MOLB CATOM3039OPHEB 7238.810−3.66332.9961.0033.66MOLB OATOM3040NGLYB 7340.147−3.26931.2101.0031.90MOLB NATOM3041CAGLYB 7339.566−1.98030.8381.0031.46MOLB CATOM3042CGLYB 7338.395−2.19829.9121.0031.27MOLB CATOM3043OGLYB 7338.168−3.33729.4951.0033.41MOLB OATOM3044NALAB 7437.681−1.11629.5841.0027.93MOLB NATOM3045CAALAB 7436.433−1.15828.8201.0029.81MOLB CATOM3046CBALAB 7435.7360.21528.8341.0031.26MOLB CATOM3047CALAB 7436.610−1.59727.3951.0032.05MOLB CATOM3048OALAB 7435.636−1.69326.6471.0035.23MOLB OATOM3049NSERB 7537.845−1.81926.9911.0032.15MOLB NATOM3050CASERB 7538.078−2.29425.6591.0033.53MOLB CATOM3051CBSERB 7539.281−1.58225.0511.0035.37MOLB CATOM3052OGSERB 7540.491−2.28825.3301.0034.81MOLB OATOM3053CSERB 7538.373−3.78825.6711.0034.71MOLB CATOM3054OSERB 7538.721−4.34324.6401.0034.40MOLB OATOM3055NTHRB 7638.256−4.43826.8261.0035.95MOLB NATOM3056CATHRB 7638.724−5.82126.9671.0037.09MOLB CATOM3057CBTHRB 7638.869−6.19828.4291.0037.65MOLB CATOM3058OG1THRB 7640.187−5.84928.8791.0051.20MOLB OATOM3059CG2THRB 7638.691−7.67528.5861.0037.80MOLB CATOM3060CTHRB 7637.764−6.78926.3641.0035.91MOLB CATOM3061OTHRB 7636.627−6.88326.8231.0037.76MOLB OATOM3062NLYSB 7738.201−7.52225.3491.0035.09MOLB NATOM3063CALYSB 7737.269−8.42024.6501.0034.50MOLB CATOM3064CBLYSB 7737.648−8.53923.1821.0033.99MOLB CATOM3065CGLYSB 7737.241−7.29922.4331.0039.05MOLB CATOM3066CDLYSB 7735.672−7.12022.4781.0064.56MOLB CATOM3067CELYSB 7735.176−5.66622.7991.0047.59MOLB CATOM3068NZLYSB 7736.054−4.61422.2051.0029.34MOLB NATOM3069CLYSB 7737.158−9.78425.3291.0033.18MOLB CATOM3070OLYSB 7738.179−10.31225.7781.0035.10MOLB OATOM3071NGLNB 7835.922−10.30825.4311.0029.23MOLB NATOM3072CAGLNB 7835.576−11.59826.1081.0024.35MOLB CATOM3073CBGLNB 7834.276−12.20825.5531.0024.38MOLB CATOM3074CGGLNB 7833.056−11.32925.4201.0014.79MOLB CATOM3075CDGLNB 7832.148−11.34626.6441.0024.95MOLB CATOM3076OE1GLNB 7832.593−11.16727.7831.0024.27MOLB OATOM3077NE2GLNB 7830.854−11.53926.4051.0018.34MOLB NATOM3078CGLNB 7836.687−12.66725.9921.0021.84MOLB CATOM3079OGLNB 7837.240−13.10926.9741.0016.95MOLB OATOM3080NILEB 7937.014−13.07524.7811.0022.27MOLB NATOM3081CAILEB 7938.185−13.91024.6301.0027.26MOLB CATOM3082CBILEB 7938.732−13.89323.2091.0027.34MOLB CATOM3083CG1ILEB 7939.821−14.95423.0731.0027.72MOLB CATOM3084CD1ILEB 7939.630−15.79021.8361.0037.97MOLB CATOM3085CG2ILEB 7939.279−12.54322.9041.0027.47MOLB CATOM3086CILEB 7939.320−13.55825.6091.0028.85MOLB CATOM3087OILEB 7939.766−14.43026.3401.0032.92MOLB OATOM3088NASPB 8039.787−12.31125.6301.0029.46MOLB NATOM3089CAASPB 8040.871−11.90626.5401.0030.66MOLB CATOM3090CBASPB 8041.038−10.38126.5651.0031.37MOLB CATOM3091CGASPB 8041.502−9.84625.2741.0032.98MOLB CATOM3092OD1ASPB 8041.079−8.73024.9021.0042.96MOLB OATOM3093OD2ASPB 8042.257−10.58524.6151.0035.17MOLB OATOM3094CASPB 8040.582−12.34127.9571.0031.43MOLB CATOM3095OASPB 8041.477−12.76228.6811.0035.97MOLB OATOM3096NVALB 8139.329−12.17928.3621.0030.48MOLB NATOM3097CAVALB 8138.901−12.47429.7131.0028.74MOLB CATOM3098CBVALB 8137.430−12.07829.9201.0028.55MOLB CATOM3099CG1VALB 8136.852−12.80331.1141.0030.84MOLB CATOM3100CG2VALB 8137.296−10.59230.0741.0015.66MOLB CATOM3101CVALB 8139.028−13.95829.9541.0028.81MOLB CATOM3102OVALB 8139.672−14.36830.9061.0029.75MOLB OATOM3103NTYRB 8238.403−14.74929.0861.0028.23MOLB NATOM3104CATYRB 8238.470−16.18729.1841.0029.02MOLB CATOM3105CBTYRB 8237.924−16.83427.9441.0029.82MOLB CATOM3106CGTYRB 8237.981−18.31628.0641.0031.25MOLB CATOM3107CD1TYRB 8239.108−19.03727.6431.0035.38MOLB CATOM3108CE1TYRB 8239.153−20.45327.7571.0035.07MOLB CATOM3109CZTYRB 8238.058−21.11928.3191.0040.31MOLB CATOM3110OHTYRB 8238.041−22.48428.4641.0041.48MOLB OATOM3111CE2TYRB 8236.950−20.40128.7621.0047.96MOLB CATOM3112CD2TYRB 8236.922−19.01128.6311.0037.76MOLB CATOM3113CTYRB 8239.900−16.63629.3321.0028.66MOLB CATOM3114OTYRB 8240.244−17.30130.3031.0027.71MOLB OATOM3115NARGB 8340.731−16.25928.3641.0027.60MOLB NATOM3116CAARGB 8342.158−16.54128.4121.0027.29MOLB CATOM3117CBARGB 8342.902−15.67727.4171.0026.39MOLB CATOM3118CGARGB 8342.681−16.05325.9541.0035.92MOLB CATOM3119CDARGB 8343.692−15.32425.0581.0062.57MOLB CATOM3120NEARGB 8343.412−15.48623.6261.0079.08MOLB NATOM3121CZARGB 8343.927−14.71022.6701.0078.53MOLB CATOM3122NH1ARGB 8343.620−14.92121.3971.0076.20MOLB NATOM3123NH2ARGB 8344.741−13.71022.9831.0075.71MOLB NATOM3124CARGB 8342.799−16.34129.7791.0028.32MOLB CATOM3125OARGB 8343.506−17.22330.2691.0029.49MOLB OATOM3126NSERB 8442.569−15.19530.3981.0028.96MOLB NATOM3127CASERB 8443.327−14.83031.6071.0034.07MOLB CATOM3128CBSERB 8443.377−13.30831.7581.0033.43MOLB CATOM3129OGSERB 8444.071−12.71230.6701.0044.90MOLB OATOM3130CSERB 8442.784−15.41432.9081.0036.22MOLB CATOM3131OSERB 8443.528−15.93933.7461.0038.28MOLB OATOM3132NVALB 8541.475−15.29633.0731.0034.24MOLB NATOM3133CAVALB 8540.802−15.73834.2591.0029.34MOLB CATOM3134CBVALB 8539.550−14.94034.3471.0027.33MOLB CATOM3135CG1VALB 8538.759−15.25735.5901.0021.44MOLB CATOM3136CG2VALB 8539.963−13.50834.3171.0027.06MOLB CATOM3137CVALB 8540.526−17.24534.2191.0030.19MOLB CATOM3138OVALB 8540.806−17.96635.1811.0028.88MOLB OATOM3139NVALB 8640.035−17.73833.0981.0029.88MOLB NATOM3140CAVALB 8639.609−19.14233.0441.0032.18MOLB CATOM3141CBVALB 8638.365−19.29132.1631.0030.02MOLB CATOM3142CG1VALB 8637.737−20.61432.4081.0027.64MOLB CATOM3143CG2VALB 8637.412−18.16932.4801.0029.82MOLB CATOM3144CVALB 8640.710−20.18432.6501.0034.07MOLB CATOM3145OVALB 8640.972−21.13833.4021.0036.00MOLB OATOM3146NCYSB 8741.365−20.03931.5091.0031.78MOLB NATOM3147CACYSB 8742.391−21.02931.2151.0033.74MOLB CATOM3148CBCYSB 8743.384−20.50130.2411.0032.01MOLB CATOM3149SGCYSB 8742.495−20.51728.7791.0040.51MOLB SATOM3150CCYSB 8743.092−21.61332.4261.0032.24MOLB CATOM3151OCYSB 8743.054−22.81732.6241.0031.73MOLB OATOM3152NPROB 8843.705−20.76633.2521.0030.99MOLB NATOM3153CAPROB 8844.345−21.29634.4381.0032.18MOLB CATOM3154CBPROB 8844.662−20.03635.2321.0030.09MOLB CATOM3155CGPROB 8844.897−19.05534.2081.0028.11MOLB CATOM3156CDPROB 8843.844−19.30833.1831.0030.04MOLB CATOM3157CPROB 8843.443−22.22135.2641.0033.26MOLB CATOM3158OPROB 8843.886−23.31035.7071.0034.79MOLB OATOM3159NILEB 8942.197−21.78635.4481.0031.64MOLB NATOM3160CAILEB 8941.217−22.49136.2681.0030.76MOLB CATOM3161CBILEB 8940.104−21.53836.7071.0030.20MOLB CATOM3162CG1ILEB 8940.603−20.69637.8851.0028.89MOLB CATOM3163CD1ILEB 8940.182−19.23737.8451.0031.02MOLB CATOM3164CG2ILEB 8938.835−22.30337.0731.0032.13MOLB CATOM3165CILEB 8940.622−23.71335.6011.0032.52MOLB CATOM3166OILEB 8940.270−24.66136.2831.0033.63MOLB OATOM3167NLEUB 9040.503−23.71534.2771.0034.32MOLB NATOM3168CALEUB 9039.959−24.90033.6281.0034.99MOLB CATOM3169CBLEUB 9039.620−24.65732.1601.0034.87MOLB CATOM3170CGLEUB 9038.899−25.78731.4221.0034.70MOLB CATOM3171CD1LEUB 9037.924−26.51632.3431.0032.96MOLB CATOM3172CD2LEUB 9038.194−25.27530.1531.0028.41MOLB CATOM3173CLEUB 9041.005−25.97733.8141.0038.29MOLB CATOM3174OLEUB 9040.667−27.07734.2251.0040.46MOLB OATOM3175NASPB 9142.272−25.62933.5531.0040.44MOLB NATOM3176CAASPB 9143.427−26.47333.8381.0041.58MOLB CATOM3177CBASPB 9144.704−25.62234.0071.0042.28MOLB CATOM3178CGASPB 9145.333−25.16132.6821.0046.33MOLB CATOM3179OD1ASPB 9144.865−25.57931.5941.0042.95MOLB OATOM3180OD2ASPB 9146.310−24.35432.7491.0049.75MOLB OATOM3181CASPB 9143.198−27.23635.1521.0043.48MOLB CATOM3182OASPB 9143.149−28.47835.1741.0045.27MOLB OATOM3183NGLUB 9243.041−26.50036.2511.0041.83MOLB NATOM3184CAGLUB 9242.934−27.15237.5541.0043.41MOLB CATOM3185CBGLUB 9243.013−26.11938.6931.0043.93MOLB CATOM3186CGGLUB 9244.428−25.61239.0041.0053.61MOLB CATOM3187CDGLUB 9245.113−26.38740.1351.0079.69MOLB CATOM3188OE1GLUB 9246.240−26.88939.9151.0082.77MOLB OATOM3189OE2GLUB 9244.523−26.49341.2431.0085.92MOLB OATOM3190CGLUB 9241.692−28.03237.7091.0041.60MOLB CATOM3191OGLUB 9241.664−28.92338.5531.0042.69MOLB OATOM3192NVALB 9340.670−27.79136.9041.0039.85MOLB NATOM3193CAVALB 9339.453−28.55537.0351.0042.07MOLB CATOM3194CBVALB 9338.251−27.80636.4391.0041.88MOLB CATOM3195CG1VALB 9337.090−28.75536.1631.0045.95MOLB CATOM3196CG2VALB 9337.810−26.68037.3661.0043.27MOLB CATOM3197CVALB 9339.651−29.87336.3241.0044.48MOLB CATOM3198OVALB 9338.920−30.82836.5461.0045.15MOLB OATOM3199NILEB 9440.668−29.92235.4761.0045.58MOLB NATOM3200CAILEB 9440.886−31.07734.6271.0045.02MOLB CATOM3201CBILEB 9441.385−30.62033.2001.0045.46MOLB CATOM3202CG1ILEB 9440.220−29.93732.4821.0040.73MOLB CATOM3203CD1ILEB 9440.533−29.28731.1781.0024.95MOLB CATOM3204CG2ILEB 9441.877−31.78532.3211.0041.37MOLB CATOM3205CILEB 9441.780−32.06935.3601.0046.81MOLB CATOM3206OILEB 9441.694−33.28435.1481.0046.50MOLB OATOM3207NMETB 9542.602−31.55236.2671.0047.65MOLB NATOM3208CAMETB 9543.458−32.41637.0461.0049.23MOLB CATOM3209CBMETB 9544.683−31.69137.4871.0047.24MOLB CATOM3210CGMETB 9545.443−31.14736.3321.0052.45MOLB CATOM3211SDMETB 9546.500−29.93137.0641.0067.20MOLB SATOM3212CEMETB 9546.459−28.66335.7891.0079.53MOLB CATOM3213CMETB 9542.736−32.91738.2491.0048.29MOLB CATOM3214OMETB 9543.379−33.45939.1521.0047.89MOLB OATOM3215NGLYB 9641.405−32.72838.2561.0049.27MOLB NATOM3216CAGLYB 9640.503−33.30739.2771.0047.34MOLB CATOM3217CGLYB 9639.894−32.38540.3311.0046.62MOLB CATOM3218OGLYB 9638.877−32.72640.9481.0045.34MOLB OATOM3219NTYRB 9740.500−31.21840.5361.0045.63MOLB NATOM3220CATYRB 9740.026−30.26641.5521.0046.47MOLB CATOM3221CBTYRB 9741.058−29.15041.7591.0048.03MOLB CATOM3222CGTYRB 9742.432−29.71542.0701.0053.57MOLB CATOM3223CD1TYRB 9742.651−30.44743.2381.0042.64MOLB CATOM3224CE1TYRB 9743.886−30.98343.5271.0044.08MOLB CATOM3225CZTYRB 9744.928−30.81442.6521.0051.93MOLB CATOM3226OHTYRB 9746.131−31.37342.9621.0058.59MOLB OATOM3227CE2TYRB 9744.762−30.09741.4761.0063.26MOLB CATOM3228CD2TYRB 9743.501−29.55241.1851.0061.24MOLB CATOM3229CTYRB 9738.629−29.68541.3221.0044.62MOLB CATOM3230OTYRB 9737.908−30.04840.4041.0043.14MOLB OATOM3231NASNB 9838.236−28.78742.1961.0045.53MOLB NATOM3232CAASNB 9836.904−28.24042.1061.0047.08MOLB CATOM3233CBASNB 9835.999−28.98143.0801.0047.31MOLB CATOM3234CGASNB 9834.543−28.73842.8031.0057.33MOLB CATOM3235OD1ASNB 9833.853−9.63842.3131.0072.08MOLB OATOM3236ND2ASNB 9834.063−27.51343.0761.0050.02MOLB NATOM3237CASNB 9836.968−26.76342.4361.0044.63MOLB CATOM3238OASNB 9837.347−26.43443.5591.0044.14MOLB OATOM3239NCYSB 9936.627−25.89741.4651.0043.79MOLB NATOM3240CACYSB 9936.832−24.44941.5811.0043.53MOLB CATOM3241CBCYSB 9937.982−23.98840.6951.0045.27MOLB CATOM3242SGCYSB 9939.440−25.03940.6001.0052.30MOLB SATOM3243CCYSB 9935.657−23.63341.1481.0042.61MOLB CATOM3244OCYSB 9934.913−24.01640.2651.0043.81MOLB OATOM3245NTHRB 10035.571−22.43741.7061.0042.55MOLB NATOM3246CATHRB 10034.463−21.53741.4551.0041.70MOLB CATOM3247CBTHRB 10033.810−21.16742.7851.0042.85MOLB CATOM3248OG1THRB 10033.842−22.29043.6811.0049.02MOLB OATOM3249CG2THRB 10032.383−20.68342.5781.0043.34MOLB CATOM3250CTHRB 10034.930−20.21340.8891.0040.07MOLB CATOM3251OTHRB 10035.985−19.71141.2631.0040.56MOLB OATOM3252NILEB 10134.111−19.62140.0281.0038.63MOLB NATOM3253CAILEB 10134.374−18.28039.4951.0036.87MOLB CATOM3254CBILEB 10134.557−18.34737.9801.0036.83MOLB CATOM3255CG1ILEB 10135.846−19.07337.6281.0037.69MOLB CATOM3256CD1ILEB 10136.105−19.05836.1601.0023.60MOLB CATOM3257CG2ILEB 10134.588−16.97037.3841.0027.00MOLB CATOM3258CILEB 10133.216−17.28639.7811.0037.32MOLB CATOM3259OILEB 10132.039−17.56639.4321.0040.34MOLB OATOM3260NPHEB 10233.531−16.12840.3631.0030.80MOLB NATOM3261CAPHEB 10232.482−15.15840.6831.0033.70MOLB CATOM3262CBPHEB 10232.636−14.71442.1321.0036.42MOLB CATOM3263CGPHEB 10232.431−15.81043.1391.0038.64MOLB CATOM3264CD1PHEB 10231.169−16.35843.3381.0050.44MOLB CATOM3265CE1PHEB 10230.978−17.36044.2801.0048.67MOLB CATOM3266CZPHEB 10232.045−17.80245.0431.0041.77MOLB CATOM3267CE2PHEB 10233.312−17.25044.8581.0037.14MOLB CATOM3268CD2PHEB 10233.491−16.25343.9261.0028.39MOLB CATOM3269CPHEB 10232.307−13.88139.8141.0032.27MOLB CATOM3270OPHEB 10233.273−13.25439.4001.0032.35MOLB OATOM3271NALAB 10331.061−13.49439.5581.0032.54MOLB NATOM3272CAALAB 10330.785−12.17538.9661.0035.29MOLB CATOM3273CBALAB 10329.874−12.25437.7421.0034.09MOLB CATOM3274CALAB 10330.113−11.35940.0291.0036.02MOLB CATOM3275OALAB 10329.022−11.70640.4691.0037.15MOLB OATOM3276NTYRB 10430.740−10.27040.4481.0036.99MOLB NATOM3277CATYRB 10430.153−9.48841.5241.0036.91MOLB CATOM3278CBTYRB 10430.964−9.65042.8271.0035.96MOLB CATOM3279CGTYRB 10430.508−8.69143.9321.0041.69MOLB CATOM3280CD1TYRB 10430.974−7.37743.9751.0039.41MOLB CATOM3281CE1TYRB 10430.571−6.50744.9621.0043.83MOLB CATOM3282CZTYRB 10429.678−6.92745.9191.0046.95MOLB CATOM3283OHTYRB 10429.281−6.04546.9141.0041.45MOLB OATOM3284CE2TYRB 10429.195−8.22445.8911.0043.12MOLB CATOM3285CD2TYRB 10429.598−9.08844.9061.0033.59MOLB CATOM3286CTYRB 10430.042−8.02241.1631.0035.76MOLB CATOM3287OTYRB 10431.003−7.43140.6611.0035.64MOLB OATOM3288NGLYB 10528.883−7.43141.4381.0034.41MOLB NATOM3289CAGLYB 10528.757−5.98941.2711.0032.19MOLB CATOM3290CGLYB 10527.400−5.41540.9231.0033.34MOLB CATOM3291OGLYB 10526.416−6.12740.7461.0032.90MOLB OATOM3292NGLNB 10627.372−4.08940.8191.0036.55MOLB NATOM3293CAGLNB 10626.160−3.31740.4971.0036.25MOLB CATOM3294CBGLNB 10626.538−1.88040.2291.0034.19MOLB CATOM3295CGGLNB 10625.403−1.05539.7311.0040.44MOLB CATOM3296CDGLNB 10625.8670.30639.2791.0053.67MOLB CATOM3297OE1GLNB 10625.3141.31339.7141.0057.46MOLB OATOM3298NE2GLNB 10626.9070.35438.4211.0038.64MOLB NATOM3299CGLNB 10625.440−3.85139.2821.0034.41MOLB CATOM3300OGLNB 10626.089−4.24938.3251.0036.44MOLB OATOM3301NTHRB 10724.112−3.85039.3131.0031.59MOLB NATOM3302CATHRB 10723.343−4.30138.1761.0033.47MOLB CATOM3303CBTHRB 10721.881−4.07938.4041.0032.91MOLB CATOM3304OG1THRB 10721.475−4.74939.6131.0038.50MOLB OATOM3305CG2THRB 10721.099−4.60737.2251.0035.23MOLB CATOM3306CTHRB 10723.736−3.48236.9611.0034.87MOLB CATOM3307OTHRB 10724.007−2.28837.1041.0039.33MOLB OATOM3308NGLYB 10823.803−4.11435.7841.0034.63MOLB NATOM3309CAGLYB 10824.118−3.41934.5171.0033.39MOLB CATOM3310CGLYB 10825.567−3.00034.2881.0034.03MOLB CATOM3311OGLYB 10825.850−1.99833.6181.0033.82MOLB OATOM3312NTHRB 10926.498−3.75034.8541.0032.36MOLB NATOM3313CATHRB 10927.893−3.46234.6271.0032.64MOLB CATOM3314CBTHRB 10928.591−3.25035.9281.0032.33MOLB CATOM3315OG1THRB 10928.400−4.42236.7341.0035.94MOLB OATOM3316CG2THRB 10927.988−2.07336.6131.0028.36MOLB CATOM3317CTHRB 10928.498−4.65633.8971.0033.68MOLB CATOM3318OTHRB 10929.630−4.61533.4111.0034.16MOLB OATOM3319NGLYB 11027.737−5.74133.8511.0034.63MOLB NATOM3320CAGLYB 11028.050−6.83632.9471.0033.65MOLB CATOM3321CGLYB 11028.384−8.17333.5411.0032.09MOLB CATOM3322OGLYB 11029.130−8.93532.9281.0034.44MOLB 0ATOM3323NLYSB 11127.856−8.47034.7221.0029.15MOLB NATOM3324CALYSB 11128.076−9.77935.2901.0028.18MOLB CATOM3325CBLYSB 11127.313−9.93736.6101.0026.45MOLB CATOM3326CGLYSB 11127.872−9.08837.7581.0026.83MOLB CATOM3327CDLYSB 11126.842−8.76538.8681.0025.26MOLB CATOM3328CELYSB 11125.654−7.95838.3021.0041.09MOLB CATOM3329NZLYSB 11124.729−7.39439.3401.0040.15MOLB NATOM3330CLYSB 11127.633−10.80534.2231.0030.47MOLB CATOM3331OLYSB 11128.389−11.72833.8631.0028.31MOLB OATOM3332NTHRB 11226.432−10.60133.6681.0030.50MOLB NATOM3333CATHRB 11225.854−11.60232.7801.0028.84MOLB CATOM3334CBTHRB 11224.323−11.55032.7421.0028.08MOLB CATOM3335OG1THRB 11223.824−11.19234.0321.0032.67MOLB OATOM3336CG2THRB 11223.781−12.89332.4171.0022.16MOLB CATOM3337CTHRB 11226.469−11.49031.3951.0030.58MOLB CATOM3338OTHRB 11226.633−12.50230.6781.0030.97MOLB OATOM3339NPHEB 11326.846−10.27431.0051.0029.79MOLB NATOM3340CAPHEB 11327.606−10.17529.7751.0028.45MOLB CATOM3341CBPHEB 11328.193−8.80329.5871.0026.72MOLB CATOM3342CGPHEB 11328.904−8.63628.2761.0023.11MOLB CATOM3343CD1PHEB 11328.226−8.87927.0661.0011.70MOLB CATOM3344CE1PHEB 11328.854−8.67025.8381.0018.54MOLB CATOM3345CZPHEB 11330.204−8.22825.7911.0017.33MOLB CATOM3346CE2PHEB 11330.905−8.00726.9951.0021.24MOLB CATOM3347CD2PHEB 11330.229−8.18528.2361.0020.70MOLB CATOM3348CPHEB 11328.789−11.10629.8991.0030.10MOLB CATOM3349OPHEB 11329.034−11.93429.0271.0032.98MOLB OATOM3350NTHRB 11429.520−10.95831.0041.0027.99MOLB NATOM3351CATHRB 11430.836−11.54431.1131.0025.38MOLB CATOM3352CBTHRB 11431.556−11.08232.3641.0021.59MOLB CATOM3353OG1THRB 11432.016−9.74532.1791.0029.10MOLB OATOM3354CG2THRB 11432.745−11.96032.6311.0017.30MOLB CATOM3355CTHRB 11430.670−13.01531.2351.0027.50MOLB CATOM3356OTHRB 11431.558−13.78330.8051.0028.60MOLB OATOM3357NMETB 11529.534−13.41531.8101.0025.33MOLB NATOM3358CAMETB 11529.400−14.80432.2141.0025.24MOLB CATOM3359CBMETB 11528.830−14.92033.5941.0022.85MOLB CATOM3360CGMETB 11529.326−16.13434.2971.0021.29MOLB CATOM3361SDMETB 11530.556−15.64235.4821.0046.07MOLB SATOM3362CEMETB 11531.204−17.21236.0431.0024.67MOLB CATOM3363CMETB 11528.593−15.67531.2811.0027.44MOLB CATOM3364OMETB 11528.623−16.88931.4121.0030.04MOLB OATOM3365NGLUB 11627.890−15.07130.3331.0027.95MOLB NATOM3366CAGLUB 11627.124−15.84629.3871.0026.21MOLB CATOM3367CBGLUB 11625.648−15.79729.7371.0025.71MOLB CATOM3368CGGLUB 11625.385−16.06531.1911.0019.05MOLB CATOM3369CDGLUB 11623.919−16.25231.4691.0025.43MOLB CATOM3370OE1GLUB 11623.586−16.73032.5841.0015.86MOLB OATOM3371OE2GLUB 11623.104−15.93430.5661.0032.21MOLB OATOM3372CGLUB 11627.328−15.28428.0321.0028.51MOLB CATOM3373OGLUB 11627.498−16.00127.0631.0028.73MOLB OATOM3374NGLYB 11727.313−13.96727.9471.0032.64MOLB NATOM3375CAGLYB 11727.570−13.34626.6601.0033.61MOLB CATOM3376CGLYB 11726.260−13.09125.9771.0034.68MOLB CATOM3377OGLYB 11725.216−12.89926.6341.0033.29MOLB OATOM3378NGLUB 11826.333−13.08624.6581.0035.32MOLB NATOM3379CAGLUB 11825.218−12.79223.8131.0038.20MOLB CATOM3380CBGLUB 11824.962−11.29023.7451.0038.55MOLB CATOM3381CGGLUB 11824.180−10.69624.8761.0045.82MOLB CATOM3382CDGLUB 11824.620−9.27825.1771.0056.54MOLB CATOM3383OE1GLUB 11825.628−8.85424.5811.0052.56MOLB OATOM3384OE2GLUB 11823.979−8.60626.0231.0058.82MOLB OATOM3385CGLUB 11825.738−13.19522.4811.0041.11MOLB CATOM3386OGLUB 11826.949−13.18122.2501.0038.14MOLB OATOM3387NARGB 11924.812−13.53821.5971.0046.16MOLB NATOM3388CAARGB 11925.133−13.94420.2601.0050.42MOLB CATOM3389CBARGB 11923.922−14.69319.7311.0050.93MOLB CATOM3390CGARGB 11924.220−15.68218.6641.0053.80MOLB CATOM3391CDARGB 11924.597−17.03019.2071.0051.44MOLB,CATOM3392NEARGB 11925.456−17.67218.2211.0061.07MOLB NATOM3393CZARGB 11925.060−18.02217.0001.0057.17MOLB CATOM3394NH1ARGB 11923.814−17.80116.6261.0048.40MOLB NATOM3395NH2ARGB 11925.907−18.58916.1481.0062.26MOLB NATOM3396CARGB 11925.365−12.62419.5341.0053.87MOLB CATOM3397OARGB 11924.923−11.59120.0201.0055.25MOLB OATOM3398NSERB 12026.076−12.60018.4121.0059.02MOLB NATOM3399CASERB 12026.169−11.32017.6701.0064.21MOLB CATOM3400CBSERB 12027.595−11.00217.1691.0063.65MOLB CATOM3401OGSERB 12028.384−12.16117.0201.0067.38MOLB OATOM3402CSERB 12025.073−11.14216.5861.0068.02MOLB CATOM3403OSERB 12024.590−12.12316.0151.0068.00MOLB OATOM3404NPROB 12124.693−9.88016.2931.0072.49MOLB NATOM3405CAPROB 12123.500−9.57315.4991.0075.18MOLB CATOM3406CBPROB 12123.200−8.13615.9041.0074.88MOLB CATOM3407CGPROB 12124.575−7.53516.0811.0073.79MOLB CATOM3408CDPROB 12125.440−8.65016.6411.0072.68MOLB CATOM3409CPROB 12123.807−9.60114.0131.0079.48MOLB CATOM3410OPROB 12124.816−9.00413.5881.0081.27MOLB OATOM3411NASNB 12222.935−10.24613.2301.0081.76MOLB NATOM3412CAASNB 12223.173−10.45411.7931.0084.21MOLB CATOM3413CBASNB 12223.634−9.16911.0701.0084.09MOLB CATOM3414CGASNB 12222.620−8.05111.1371.0089.61MOLB CATOM3415OD1ASNB 12221.417−8.29611.1791.0094.75MOLB OATOM3416ND2ASNB 12223.104−6.80511.1271.0097.28MOLB NATOM3417CASNB 12224.248−11.51811.6071.0084.17MOLB CATOM3418OASNB 12223.940−12.68111.3611.0084.85MOLB OATOM3419NGLUB 12325.509−11.09111.7431.0083.87MOLB NATOM3420CAGLUB 12326.688−11.93411.5461.0081.37MOLB CATOM3421CBGLUB 12327.900−11.33612.2271.0080.95MOLB CATOM3422CGGLUB 12329.141−11.47411.4141.0076.70MOLB CATOM3423CDGLUB 12329.933−10.20811.4761.0072.98MOLB CATOM3424OE1GLUB 12330.859−10.04210.6561.0076.98MOLB OATOM3425OE2GLUB 12329.599−9.36612.3411.0063.79MOLB OATOM3426CGLUB 12326.405−13.29112.1031.0080.68MOLB CATOM3427OGLUB 12325.898−13.43713.2201.0080.28MOLB OATOM3428NGLUB 12426.713−14.29611.3141.0078.81MOLB NATOM3429CAGLUB 12426.228−15.59311.6771.0078.49MOLB CATOM3430CBGLUB 12425.345−16.16910.5551.0078.85MOLB CATOM3431CGGLUB 12424.076−15.33410.2741.0077.55MOLB CATOM3432CDGLUB 12423.135−15.22211.4901.0077.96MOLB CATOM3433OE1GLUB 12422.635−16.26211.9851.0063.40MOLB OATOM3434OE2GLUB 12422.870−14.08411.9391.0085.89MOLB OATOM3435CGLUB 12427.354−16.52512.0611.0077.53MOLB CATOM3436OGLUB 12427.320−17.70811.6901.0080.31MOLB OATOM3437NTYRB 12528.347−16.00712.7951.0071.96MOLB NATOM3438CATYRB 12529.376−16.88013.3241.0067.42MOLB CATOM3439CBTYRB 12530.196−16.23114.4381.0066.78MOLB CATOM3440CGTYRB 12530.888−14.90414.1991.0062.26MOLB CATOM3441CD1TYRB 12532.201−14.84913.7251.0047.20MOLB CATOM3442CE1TYRB 12532.858−13.62013.5631.0046.24MOLB CATOM3443CZTYRB 12532.192−12.44013.8971.0057.86MOLB CATOM3444OHTYRB 12532.809−11.20813.7341.0063.21MOLB OATOM3445CE2TYRB 12530.890−12.48414.3881.0049.92MOLB CATOM3446CD2TYRB 12530.260−13.70114.5481.0058.90MOLB CATOM3447CTYRB 12528.635−18.03513.9841.0066.32MOLB CATOM3448OTYRB 12527.664−17.81514.7191.0064.44MOLB OATOM3449NTHRB 12629.071−19.26413.7311.0065.93MOLB NATOM3450CATHRB 12628.532−20.38314.4901.0065.91MOLB CATOM3451CBTHRB 12629.124−21.72714.0541.0066.50MOLB CATOM3452OG1THRB 12630.544−21.70714.2351.0067.13MOLB OATOM3453CG2THRB 12628.814−21.99312.5851.0065.19MOLB CATOM3454CTHRB 12628.859−20.09615.9551.0065.47MOLB CATOM3455OTHRB 12629.884−19.46916.2671.0065.66MOLB OATOM3456NTRPB 12727.988−20.53316.8551.0063.92MOLB NATOM3457CATRPB 12728.140−20.16918.2541.0061.26MOLB CATOM3458CBTRPB 12726.958−20.66719.0571.0060.98MOLB CATOM3459CGTRPB 12726.857−22.11419.0381.0059.88MOLB CATOM3460CD1TRPB 12726.148−22.86918.1581.0060.20MOLB CATOM3461NE1TRPB 12726.303−24.20518.4591.0068.96MOLB NATOM3462CE2TRPB 12727.131−24.32919.5461.0071.10MOLB CATOM3463CD2TRPB 12727.502−23.02819.9401.0068.75MOLB CATOM3464CE3TRPB 12728.355−22.87221.0481.0065.43MOLB CATOM3465CZ3TRPB 12728.808−24.01421.7201.0065.00MOLB CATOM3466CH2TRPB 12728.423−25.29421.3031.0065.85MOLB CATOM3467CZ2TRPB 12727.584−25.47520.2241.0071.03MOLB CATOM3468CTRPB 12729.454−20.66218.8491.0061.04MOLB CATOM3469OTRPB 12729.901−20.15819.8791.0062.31MOLB OATOM3470NGLUB 12830.076−21.64618.2071.0059.38MOLB NATOM3471CAGLUB 12831.370−22.12218.6641.0057.92MOLB CATOM3472CBGLUB 12831.878−23.28717.8071.0059.35MOLB CATOM3473CGGLUB 12831.686−24.66418.4111.0060.85MOLB CATOM3474CDGLUB 12830.463−25.33617.9041.0070.17MOLB CATOM3475OE1GLUB 12830.097−25.07616.7401.0077.40MOLB OATOM3476OE2GLUB 12829.879−26.14018.6551.0078.85MOLB OATOM3477CGLUB 12832.387−21.00518.5881.0056.04MOLB CATOM3478OGLUB 12833.349−20.97619.3801.0054.87MOLB OATOM3479NGLUB 12932.135−20.08017.6551.0053.66MOLB NATOM3480CAGLUB 12933.118−19.09317.2131.0052.66MOLB CATOM3481CBGLUB 12933.380−19.27715.7161.0052.84MOLB CATOM3482CGGLUB 12933.948−20.61315.3501.0061.07MOLB CATOM3483CDGLUB 12934.958−21.08716.3791.0082.66MOLB CATOM3484OE1GLUB 12935.807−20.26316.8131.0081.37MOLB OATOM3485OE2GLUB 12934.890−22.28116.7641.0091.10MOLB OATOM3486CGLUB 12932.740−17.64017.4031.0052.40MOLB CATOM3487OGLUB 12933.396−16.76116.8231.0052.55MOLB OATOM3488NASPB 13031.699−17.37318.1891.0050.11MOLB NATOM3489CAASPB 13031.200−16.00718.3511.0046.96MOLB CATOM3490CBASPB 13029.721−16.08518.6741.0047.27MOLB CATOM3491CGASPB 13029.078−14.73918.7661.0050.49MOLB CATOM3492OD1ASPB 13027.852−14.66618.5301.0055.03MOLB OATOM3493OD2ASPB 13029.792−13.75619.0711.0063.82MOLB OATOM3494CASPB 13031.929−15.19619.4331.0044.52MOLB CATOM3495OASPB 13031.816−15.51520.6031.0045.81MOLB OATOM3496NPROB 13132.647−14.12119.0481.0042.74MOLB NATOM3497CAPROB 13133.450−13.27719.9551.0042.24MOLB CATOM3498CBPROB 13133.912−12.12619.0551.0041.37MOLB CATOM3499CGPROB 13133.069−12.19717.8551.0038.76MOLB CATOM3500CDPROB 13132.724−13.62117.6701.0043.14MOLB CATOM3501CPROB 13132.703−12.70821.1721.0042.75MOLB CATOM3502OPROB 13133.340−12.42622.2081.0043.86MOLB OATOM3503NLEUB 13231.377−12.55121.0491.0040.75MOLB NATOM3504CALEUB 13230.522−12.08222.1531.0036.33MOLB CATOM3505CBLEUB 13229.297−11.32021.6121.0035.10MOLB CATOM3506CGLEUB 13229.609−10.03120.8621.0036.04MOLB CATOM3507CD1LEUB 13228.363−9.42720.2401.0026.18MOLB CATOM3508CD2LEUB 13230.310−9.03321.7791.0019.11MOLB CATOM3509CLEUB 13230.069−13.20823.1151.0033.81MOLB CATOM3510OLEUB 13229.377−12.94324.1141.0036.58MOLB OATOM3511NALAB 13330.434−14.45422.8471.0026.82MOLB NATOM3512CAALAB 13330.019−15.50523.7711.0025.64MOLB CATOM3513CBALAB 13330.394−16.84723.2391.0026.67MOLB CATOM3514CALAB 13330.668−15.23925.1321.0025.68MOLB CATOM3515OALAB 13331.587−14.44525.2251.0025.17MOLB OATOM3516NGLYB 13430.212−15.89326.1891.0026.36MOLB NATOM3517CAGLYB 13430.694−15.54727.5471.0028.24MOLB CATOM3518CGLYB 13431.532−16.64428.1871.0027.61MOLB CATOM3519OGLYB 13431.984−17.54227.4991.0028.93MOLB OATOM3520NILEB 13531.729−16.62829.4961.0025.42MOLB NATOM3521CAILEB 13532.530−17.68630.0281.0025.81MOLB CATOM3522CBILEB 13532.878−17.46431.4301.0025.82MOLB CATOM3523CG1ILEa 13533.692−16.17831.5231.0017.83MOLB CATOM3524CD1ILEB 13534.143−15.79332.9031.005.51MOLB CATOM3525CG2ILEB 13533.658−18.74331.8901.0025.64MOLB CATOM3526CILEB 13531.897−19.07429.9791.0030.04MOLE CATOM3527OILEB 13532.595−20.06129.7791.0031.09MOLB OATOM3528NILEB 13630.584−19.13630.2031.0032.57MOLB NATOM3529CAILEB 13629.830−20.39230.2331.0032.89MOLE CATOM3530CBILEB 13628.394−20.14330.7301.0034.66MOLB CATOM3531CG1ILEB 13628.407−20.11632.2591.0029.86MOLB CATOM3532CD1ILEB 13627.309−19.31732.8261.0027.20MOLE CATOM3533CG2ILEB 13627.410−21.23330.2461.0037.99MOLE CATOM3534CILEB 13629.873−21.18328.9291.0034.47MOLE CATOM3535OILEB 13630.264−22.34728.9271.0035.70MOLB OATOM3536NPROB 13729.465−20.57627.8101.0035.57MOLB NATOM3537CAPROB 13729.642−21.31226.5451.0036.93MOLB CATOM3538CBPROB 13728.908−20.43725.5351.0038.34MOLB CATOM3539CGPROB 13729.032−19.03326.1241.0035.28MOLB CATOM3540CDPROB 13728.806−19.27327.6081.0033.20MOLB CATOM3541CPROB 13731.103−21.46026.0751.0039.29MOLB CATOM3542OPROB 13731.380−22.30225.2261.0042.00MOLB OATOM3543NARGB 13832.033−-20.63226.5391.0038.02MOLB NATOM3544CAARGB 13833.389−20.81126.0311.0036.73MOLB CATOM3545CBARGB 13834.285−19.59226.2311.0036.29MOLB CATOM3546CGARGB 13834.124−18.56925.1621.0032.82MOLB CATOM3547CDARGB 13834.858−17.29025.4941.0025.97MOLB CATOM3548NEARGB 13834.269−16.25624.6621.0026.69MOLB NATOM3549CZARGB 13834.761−15.87323.4911.0034.61MOLB CATOM3550NH1ARGB 13835.903−16.40623.0391.0025.69MOLB NATOM3551NH2ARGB 13834.122−14.93522.7951.0025.55MOLB NATOM3552CARGB 13833.987−21.98326.7471.0036.41MOLB CATOM3553OARGB 13834.809−22.70126.1811.0039.13MOLB OATOM3554NTHRB 13933.595−22.16727.9941.0032.60MOLB NATOM3555CATHRB 13934.129−23.26328.7361.0035.38MOLB CATOM3556CBTHRB 13933.694−23.20430.2201.0035.63MOLB CATOM3557OG1THRB 13933.977−21.90230.7631.0039.02MOLB OATOM3558CG2THRB 13934.429−24.24831.0421.0034.83MOLB CATOM3559CTHRB 13933.639−24.54628.0271.0037.76MOLB CATOM3560OTHRB 13934.445−25.33427.4951.0034.86MOLB OATOM3561NLEUB 14032.318−24.70727.9481.0038.24MOLB NATOM3562CALEUB 14031.742−25.90627.3681.0038.35MOLB CATOM3563CBLEUB 14030.261−25.73227.1351.0038.01MOLB CATOM3564CGLEUB 14029.484−26.12728.3951.0040.57MOLB CATOM3565CD1LEUB 14030.364−26.42229.6011.0040.76MOLB CATOM3566CD2LEUB 14028.468−25.06128.7211.0042.56MOLB CATOM3567CLEUB 14032.450−26.34826.1091.0040.00MOLB CATOM3568OLEUB 14032.881−27.50026.0301.0041.92MOLB OATOM3569NHISB 14132.595−25.44325.1391.0040.60MOLB NATOM3570CAHISB 14133.328−25.75723.9051.0041.50MOLB CATOM3571CBHISB 14133.252−24.59322.8831.0041.98MOLB CATOM3572CGHISB 14133.967−24.85421.5831.0047.20MOLB CATOM3573ND1HISB 14135.178−24.26721.2631.0055.42MOLB NATOM3574CE1HISB 14135.574−24.68120.0721.0040.26MOLB CATOM3575NE2HISB 14134.663−25.51819.6061.0063.53MOLB NATOM3576CD2HISB 14133.652−25.64820.5321.0058.17MOLB CATOM3577CHISB 14134.773−26.22824.2251.0041.46MOLB CATOM3578OHISB 14135.141−27.33223.8441.0041.45MOLB OATOM3579NGLNB 14235.569−25.43124.9541.0041.06MOLB NATOM3580CAGLNB 14236.947−25.85025.3191.0039.08MOLB CATOM3581CBGLNB 14237.681−24.82526.2081.0037.14MOLB CATOM3582CGGLNB 14237.851−23.48125.5801.0037.87MOLB CATOM3583CDGLNB 14238.188−23.60024.1291.0051.87MOLB CATOM3584OE1GLNB 14239.241−24.10623.7761.0053.36MOLB OATOM3585NE2GLNB 14237.278−23.15623.2661.0065.95MOLB NATOM3586CGLNB 14237.007−27.19126.0331.0038.72MOLB CATOM3587OGLNB 14238.008−27.89325.9331.0040.97MOLB OATOM3588NILEB 14335.976−27.54226.7911.0035.30MOLB NATOM3589CAILEB 14336.078−28.76627.5471.0034.23MOLB CATOM3590CBILEB 14335.007−28.90728.6301.0034.67MOLB CATOM3591CG1ILEB 14335.395−28.11729.8761.0034.97MOLB CATOM3592CD1ILEB 14334.231−28.07630.8791.0017.55MOLB CATOM3593CG2ILEB 14334.840−30.37429.0451.0033.87MOLB CATOM3594CILEB 14336.002−29.93126.5941.0034.38MOLB CATOM3595OILEB 14336.757−30.88026.7331.0035.62MOLB OATOM3596NPHEB 14435.099−29.88725.6321.0032.65MOLB NATOM3597CAPHEB 14435.074−30.97424.7141.0033.12MOLB CATOM3598CBPHEB 14433.836−30.91523.8651.0032.17MOLB CATOM3599CGPHEB 14432.614−31.26424.6351.0029.43MOLB CATOM3600CD1PHEB 14432.284−32.57724.8501.0030.82MOLB CATOM3601CE1PHEB 14431.180−32.92125.5791.0040.54MOLB CATOM3602CZPHEB 14430.385−31.94326.1311.0041.74MOLB CATOM3603CE2PHEB 14430.717−30.61625.9381.0046.32MOLB CATOM3604CD2PHEB 14431.844−30.28725.2071.0035.32MOLB CATOM3605CPHEB 14436.369−30.86023.9681.0035.99MOLB CATOM3606OPHEB 14437.255−31.70124.0951.0040.81MOLB OATOM3607NGLUB 14536.519−29.78323.2411.0037.17MOLB NATOM3608CAGLUB 14537.812−29.40522.7261.0039.90MOLB CATOM3609CBGLUB 14537.994−27.90322.9531.0042.23MOLB CATOM3610CGGLUB 14539.259−27.31822.3561.0050.63MOLB CATOM3611CDGLUB 14539.088−27.05620.8891.0052.12MOLB CATOM3612OE1GLUB 14537.977−27.32020.3691.0057.42MOLB OATOM3613OE2GLUB 14540.052−26.57520.2721.0049.35MOLB OATOM3614CGLUB 14538.988−30.14723.3871.0039.02MOLB CATOM3615OGLUB 14539.606−31.00322.7671.0041.55MOLB OATOM3616NLYSB 14639.294−29.83224.6401.0037.50MOLB NATOM3617CALYSB 14640.535−30.31825.2381.0038.50MOLB CATOM3618CBLYSB 14640.929−29.46226.4301.0037.75MOLB CATOM3619CGLYSB 14641.125−28.00026.0741.0039.56MOLB CATOM3620CDLYSB 14641.399−27.16327.3091.0028.87MOLB CATOM3621CELYSB 14642.836−27.24327.7341.0036.55MOLB CATOM3622NZLYSB 14642.909−26.92229.1831.0048.85MOLB NATOM3623CLYSB 14640.565−31.79925.6221.0038.05MOLB CATOM3624OLYSB 14641.598−32.46025.5011.0037.38MOLB OATOM3625NLEUB 14739.448−32.33226.0811.0036.72MOLB NATOM3626CALEUB 14739.459−33.73126.4871.0036.11MOLB CATOM3627CBLEUB 14738.275−34.05027.4091.0033.23MOLB CATOM3628CGLEUB 14738.550−33.20128.6771.0032.18MOLB CATOM3629CD1LEUB 14737.685−33.48029.9161.0026.76MOLB CATOM3630CD2LEUB 14740.012−33.34029.0681.0040.29MOLB CATOM3631CLEUB 14739.606−34.62325.2481.0037.08MOLB CATOM3632OLEUB 14740.408−35.56825.2221.0036.75MOLB OATOM3633NTHRB 14838.903−34.26224.1921.0035.45MOLB NATOM3634CATHRB 14839.103−34.91922.9381.0034.63MOLB CATOM3635CBTHRB 14838.247−34.26521.8991.0035.93MOLB CATOM3636OG1THRB 14836.866−34.55322.1891.0034.50MOLB OATOM3637CG2THRB 14838.630−34.78920.5191.0035.17MOLB CATOM3638CTHRB 14840.560−34.89922.4591.0036.55MOLB CATOM3639OTHRB 14841.137−35.91822.1231.0038.41MOLB OATOM3640NASPB 14941.194−33.74322.4151.0039.26MOLB NATOM3641CAASPB 14942.555−33.76021.9081.0037.91MOLB CATOM3642CBASPB 14943.099−32.35021.6971.0035.23MOLB CATOM3643CGASPB 14942.550−31.70020.4181.0046.16MOLB CATOM3644OD1ASPB 14942.133−32.45119.5001.0063.28MOLB OATOM3645OD2ASPB 14942.536−30.44320.3041.0052.08MOLB OATOM3646CASPB 14943.458−34.62822.7751.0037.46MOLB CATOM3647OASPB 14944.361−35.25622.2811.0040.19MOLB OATOM3648NASNB 15043.216−34.71824.0631.0038.46MOLB NATOM3649CAASNB 15044.181−35.47024.8481.0041.39MOLB CATOM3650CBASNB 15044.429−34.82726.2221.0039.15MOLB CATOM3651CGASNB 15043.777−35.60127.3651.0051.22MOLB CATOM3652OD1ASNB 15043.603−35.07428.4771.0065.69MOLB OATOM3653ND2ASNB 15043.445−36.87127.1131.0054.56MOLB NATOM3654CASNB 15043.841−36.97524.9241.0042.32MOLB CATOM3655OASNB 15044.591−37.76925.5171.0041.69MOLB 0ATOM3656NGLYB 15142.719−37.34924.2991.0043.44MOLB NATOM3657CAGLYB 15142.238−38.73524.2611.0041.55MOLB CATOM3658CGLYB 15141.648−39.26325.5631.0043.65MOLB CATOM3659OGLYB 15141.602−40.46525.7961.0046.46MOLB OATOM3660NTHRB 15241.180−38.39826.4401.0042.46MOLB NATOM3661CATHRB 15240.585−38.91927.6491.0040.78MOLB CATOM3662CBTHRB 15240.572−37.88928.7721.0041.18MOLB CATOM3663OG1THRB 15241.925−37.59629.1621.0048.17MOLB OATOM3664CG2THRB 15239.828−38.44529.9671.0047.58MOLB CATOM3665CTHRB 15239.180−39.42527.4061.0038.24MOLB CATOM3666OTHRB 15238.575−39.18226.3571.0035.80MOLB OATOM3667NGLUB 15338.701−40.18828.3731.0038.39MOLB NATOM3668CAGLUB 15337.337−40.64528.3761.0041.65MOLB CATOM3669CBGLUB 15337.231−42.16428.4811.0040.13MOLB CATOM3670CGGLUB 15338.104−42.77829.5461.0047.45MOLB CATOM3671CDGLUB 15337.815−44.24829.7041.0068.98MOLB CATOM3672OE1GLUB 15338.715−45.08329.4291.0074.79MOLB OATOM3673OE2GLUB 15336.662−44.56330.0691.0075.09MOLB OATOM3674CGLUB 15336.653−39.94529.5361.0042.64MOLB CATOM3675OGLUB 15336.957−40.18630.7081.0044.77MOLB OATOM3676NPHEB 15435.746−39.04229.1761.0042.76MOLB NATOM3677CAPHEB 15435.037−38.20230.1161.0038.91MOLB CATOM3678CBPHEB 15435.599−36.78829.9891.0040.51MOLB CATOM3679CGPHEB 15435.463−36.20028.5891.0044.98MOLB CATOM3680CD1PHEB 15434.688−35.04928.3651.0037.24MOLB CATOM3681CE1PHEB 15434.531−34.52027.0701.0028.76MOLB CATOM3682CZPHEB 15435.159−35.13426.0041.0041.17MOLB CATOM3683CE2PHEB 15435.933−36.28826.2171.0037.75MOLB CATOM3684CD2PHEB 15436.078−36.81527.4961.0028.31MOLB CATOM3685CPHEB 15433.598−38.17729.7091.0035.01MOLB CATOM3686OPHEB 15433.287−38.34828.5471.0031.30MOLB OATOM3687NSERB 15532.703−37.99130.6551.0038.59MOLB NATOM3688CASERB 15531.352−37.56330.2621.0043.18MOLB CATOM3689CBSERB 15530.252−38.53830.6921.0041.61MOLB CATOM3690OGSERB 15529.992−38.42432.0841.0047.77MOLB OATOM3691CSERB 15531.146−36.20330.9101.0042.88MOLB CATOM3692OSER8 15531.692−35.93831.9841.0043.83MOLB OATOM3693NVALB 15630.372−35.34230.2681.0043.67MOLB NATOM3694CAVALB 15630.088−34.03730.8671.0043.63MOLB CATOM3695CBVALB 15630.406−32.90229.8931.0044.05MOLB CATOM3696CG1VALB 15629.802−31.60830.4131.0040.05MOLB CATOM3697CG2VALB 15631.925−32.77429.6881.0038.25MOLB CATOM3698CVALB 15628.651−33.85331.3361.0044.06MOLB CATOM3699OVALB 15627.707−33.97930.5531.0042.14MOLB OATOM3700NLYSB 15728.489−33.53132.6101.0047.28MOLB NATOM3701CALYSB 15727.159−33.14233.1291.0052.43MOLB CATOM3702CBLYSB 15726.550−34.24034.0291.0052.88MOLB CATOM3703CGLYSB 15727.532−34.93334.9951.0058.76MOLB CATOM3704CDLYSB 15727.110−36.38335.3261.0058.17MOLB CATOM3705CELYSB 15728.190−37.09036.1681.0065.38MOLB CATOM3706NZLYSB 15727.757−38.39936.7491.0054.58MOLB NATOM3707CLYSB 15727.157−31.73433.7971.0052.26MOLB CATOM3708OLYSB 15728.192−31.26134.3031.0052.48MOLB OATOM3709NVALB 15825.997−31.07133.7801.0051.66MOLB NATOM3710CAVALB 15825.887−29.68734.2371.0050.25MOLB CATOM3711CBVALB 15825.863−28.74733.0471.0050.40MOLB CATOM3712CG1VALB 15827.077−28.97432.1531.0052.05MOLB CATOM3713CG2VALB 15824.572−28.96532.2671.0041.75MOLB CATOM3714CVALB 15824.580−29.38834.9271.0051.24MOLB CATOM3715OVALB 15823.521−29.83234.4881.0051.26MOLB OATOM3716NSERB 15924.630−28.57935.9701.0050.49MOLB NATOM3717CASERB 15923.399−28.12536.5501.0050.41MOLB CATOM3718CBSERB 15923.244−28.73537.9231.0051.01MOLB CATOM3719OGSERB 15924.334−28.36638.7431.0051.68MOLB OATOM3720CSERB 15923.365−26.60436.6561.0051.18MOLB CATOM3721OSERB 15924.319−25.99137.1221.0050.81MOLB OATOM3722NLEUB 16022.257−26.00536.2201.0051.46MOLB NATOM3723CALEUB 16021.991−24.58336.4401.0049.76MOLB CATOM3724CBLEUB 16021.643−23.86035.1301.0051.32MOLB CATOM3725CGLEUB 16020.987−22.45835.2681.0047.59MOLB CATOM3726CD1LEUB 16021.926−21.44135.9201.0052.75MOLB CATOM3727CD2LEUB 16020.506−21.92233.9491.0042.39MOLB CATOM3728CLEUB 16020.835−24.38837.4021.0051.28MOLB CATOM3729OLEUB 16019.751−24.88937.1521.0054.80MOLB OATOM3730NLEUB 16121.036−23.60938.4611.0051.60MOLB NATOM3731CALEUB 16119.984−23.35939.4541.0052.20MOLB CATOM3732CBLEUB 16120.184−24.30540.6241.0051.77MOLB CATOM3733CGLEUB 16121.536−24.01541.2871.0048.15MOLB CATOM3734CD1LEUB 16121.445−24.15942.7841.0035.27MOLB CATOM3735CD2LEUB 16122.694−24.84840.6751.0055.28MOLB CATOM3736CLEUB 16120.033−21.92740.0141.0054.46MOLB CATOM3737OLEUB 16121.089−21.49740.5021.0055.36MOLB OATOM3738NGLUB 16218.898−21.21539.9761.0054.88MOLB NATOM3739CAGLUB 16218.775−19.83040.4831.0054.81MOLB CATOM3740CBGLUB 16217.575−19.15639.8101.0053.11MOLB CATOM3741CGGLUB 16217.669−17.63839.5631.0057.85MOLB CATOM3742CDGLUB 16216.288−16.97739.2141.0059.59MOLB CATOM3743OE1GLUB 16216.137−16.41638.0991.0056.46MOLB OATOM3744OE2GLUB 16215.354−17.01840.0601.0064.97MOLB OATOM3745CGLUB 16218.594−19.84542.0121.0053.48MOLB CATOM3746OGLUB 16218.129−20.83642.5511.0053.08MOLB OATOM3747NILEB 16319.024−18.78142.6981.0053.84MOLB NATOM3748CAILEB 16318.765−18.56944.1341.0053.98MOLB CATOM3749CBILEB 16319.988−18.33445.0031.0052.45MOLB CATOM3750CG1ILEB 16320.733−19.60945.3371.0052.27MOLB CATOM3751CD1ILEB 16321.985−19.33046.1711.0038.63MOLB CATOM3752CG2ILEB 16319.549−17.71646.3231.0045.81MOLB CATOM3753CILEB 16318.117−17.22244.2341.0057.58MOLB CATOM3754OILEB 16318.684−16.22243.8141.0056.89MOLB OATOM3755NTYRB 16416.952−17.18744.8481.0062.52MOLB NATOM3756CATYRB 16416.201−15.96544.9441.0065.92MOLB CATOM3757CBTYRB 16415.135−15.93743.8581.0066.14MOLB CATOM3758CGTYRB 16414.253−14.72943.9191.0066.32MOLB CATOM3759CD1TYRB 16413.471−14.47245.0331.0072.10MOLB CATOM3760CE1TYRB 16412.659−13.36045.0891.0077.58MOLB CATOM3761CZTYRB 16412.614−12.50344.0101.0073.11MOLB CATOM3762OHTYRB 16411.810−11.39844.0461.0073.88MOLB OATOM3763CE2TYRB 16413.376−12.74142.8951.0073.21MOLB CATOM3764CD2TYRB 16414.188−13.85042.8551.0072.53MOLB CATOM3765CTYRB 16415.550−15.90646.3061.0067.92MOLB CATOM3766OTYRB 16414.636−16.67646.6031.0068.81MOLB OATOM3767NASNB 16516.023−14.99547.1411.0070.07MOLB NATOM3768CAASNB 16515.408−14.82548.4261.0072.38MOLB CATOM3769CBASNB 16513.957−14.42848.2131.0072.96MOLB CATOM3770CGASNB 16513.354−13.79749.4241.0078.21MOLB CATOM3771OD1ASNB 16513.967−13.77450.4981.0082.63MOLB OATOM3772ND2ASNB 16512.141−13.26949.2691.0084.85MOLB NATOM3773CASNB 16515.491−16.14649.1701.0072.68MOLB CATOM3774OASNB 16514.486−16.82549.3561.0072.45MOLB OATOM3775NGLUB 16616.713−16.49449.5681.0074.77MOLB NATOM3776CAGLUB 16617.066−17.78150.2061.0076.79MOLB CATOM3777CBGLUB 16617.157−17.62751.7371.0077.06MOLB CATOM3778CGGLUB 16618.410−16.84352.2031.0085.88MOLB CATOM3779CDGLUB 16619.670−17.73652.3421.00102.90MOLB CATOM3780OE1GLUB 16619.616−18.70053.1471.00106.69MOLB OATOM3781OE2GLUB 16620.717−17.46751.6791.00103.65MOLB OATOM3782CGLUB 16616.225−19.00849.7641.0076.40MOLB CATOM3783OGLUB 16616.119−20.01150.4761.0076.32MOLB OATOM3784NGLUB 16715.673−18.91748.5581.0076.77MOLB NATOM3785CAGLUB 16714.820−19.94747.9801.0076.89MOLB CATOM3786CBGLUB 16713.509−19.29347.5791.0076.12MOLB CATOM3787CGGLUB 16712.275−19.96248.0931.0077.96MOLB CATOM3788COGLUB 16711.036−19.27047.5911.0083.71MOLB CATOM3789OE1GLUB 16711.183−18.20846.9361.0079.49MOLB OATOM3790OE2GLUB 1679.923−19.78947.8421.0089.63MOLB OATOM3791CGLUB 16715.543−20.45646.7341.0076.52MOLB CATOM3792OGLUB 16716.131−19.64946.0111.0077.86MOLB OATOM3793NLEUB 16815.510−21.76746.4661.0074.31MOLB NATOM3794CALEUB 16816.292−22.32845.3431.0070.89MOLB CATOM3795CBLEUB 16817.245−23.41145.8411.0069.59MOLB CATOM3796CGLEUB 16818.087−22.97347.0381.0070.28MOLB CATOM3797CD1LEUB 16817.161−22.84348.2501.0067.74MOLB CATOM3798CD2LEUB 16819.244−23.94447.3141.0061.95MOLB CATOM3799CLEUB 16815.442−22.86944.2091.0070.00MOLB CATOM3800OLEUB 16814.429−23.50644.4601.0072.14MOLB OATOM3801NPHEB 16915.855−22.63842.9631.0068.08MOLB NATOM3802CAPHEB 16915.066−23.10341.8181.0066.35MOLB CATOM3803CBPHEB 16914.194−21.96741.2761.0065.86MOLB CATOM3804CGPHEB 16913.569−21.10542.3421.0066.40MOLB CATOM3805CD1PHEB 16913.744−19.73042.3271.0068.96MOLB CATOM3806CE1PHEB 16913.174−18.92843.2991.0063.30MOLB CATOM3807CZPHEB 16912.423−19.49444.2971.0067.14MOLB CATOM3808CE2PHEB 16912.242−20.86244.3281.0069.52MOLB CATOM3809CD2PHEB 16912.808−21.66043.3551.0067.41MOLB CATOM3810CPHEB 16915.872−23.73340.6631.0066.27MOLB CATOM3811OPHEB 16916.818−23.12640.1471.0067.57MOLB OATOM3812NASPB 17015.486−24.94240.2451.0065.17MOLB NATOM3813CAASPB 17016.131−25.60839.0981.0063.55MOLB CATOM3814CBASPB 17016.006−27.13639.1801.0062.65MOLB CATOM3815CGASPB 17016.672−27.83738.0051.0067.94MOLB CATOM3816OD1ASPB 17016.353−27.52536.8351.0065.57MOLB OATOM3817OD2ASPB 17017.526−28.71038.2561.0081.68MOLB OATOM3818CASPB 17015.597−25.08637.7491.0061.09MOLB CATOM3819OASPB 17014.386−25.01837.5331.0059.31MOLB OATOM3820NLEUB 17116.515−24.74936.8401.0059.42MOLB NATOM3821CALEUB 17116.140−24.09635.5961.0055.78MOLB CATOM3822CBLEUB 17116.910−22.78735.4441.0053.93MOLB CATOM3823CGLEUB 17116.701−21.78036.6001.0050.11MOLB CATOM3824CD1LEUB 17117.480−20.48736.4101.0031.35MOLB CATOM3825CD2LEUB 17115.240−21.43036.8211.0040.59MOLB CATOM3826CLEUB 17116.230−24.96634.3411.0057.01MOLB CATOM3827OLEUB 17115.501−24.68833.3761.0055.70MOLB OATOM3828NLEUB 17217.082−26.01134.3551.0057.52MOLB NATOM3829CALEUB 17217.217−26.95433.1991.0057.21MOLB CATOM3830CBLEUB 17218.593−27.63733.1371.0057.78MOLB CATOM3831CGLEUB 17219.949−26.94033.1311.0055.16MOLB CATOM3832CD1LEUB 17219.734−25.45732.9851.0053.59MOLB CATOM3833CD2LEUB 17220.725−27.26434.4001.0048.41MOLB CATOM3834CLEUB 17216.161−28.06833.1461.0057.52MOLB CATOM3835OLEUB 17215.827−28.58132.0621.0055.91MOLB OATOM3836NASNB 17315.697−28.46834.3301.0058.38MOLB NATOM3837CAASNB 17314.646−29.46534.5081.0058.78MOLB CATOM3838CBASNB 17314.451−29.68136.0061.0059.65MOLB CATOM3839CGASNB 17313.091−30.24336.3551.0059.53MOLB CATOM3840OD1ASNB 17312.843−30.58337.5161.0052.87MOLB OATOM3841ND2ASNB 17312.201−30.33735.3641.0036.75MOLB NATOM3842CASNB 17313.332−29.06633.8151.0058.76MOLB CATOM3843OASNB 17312.653−28.14634.2601.0055.73MOLB OATOM3844NPROB 17412.944−29.81532.7621.0061.14MOLB NATOM3845CAPROB 17411.891−29.41731.8221.0063.02MOLB CATOM3846CBPROB 17412.137−30.34530.6281.0062.43MOLB CATOM3847CGPROB 17412.694−31.59731.2301.0059.01MOLB CATOM3848CDPROB 17413.445−31.17932.4801.0061.20MOLB CATOM3849CPROB 17410.520−29.68532.4141.0066.20MOLB CATOM3850OPROB 1749.687−28.77832.5311.0064.85MOLB OATOM3851NSERB 17510.327−30.95432.7681.0070.64MOLB NATOM3852CASERB 1759.183−31.45733.5031.0073.84MOLB CATOM3853CBSERB 1759.534−32.85934.0151.0073.50MOLB CATOM3854OGSERB 1759.121−33.05135.3541.0069.51MOLB OATOM3855CSERB 1758.780−30.56134.6731.0077.21MOLB CATOM3856OSERB 1757.602−30.49735.0241.0078.02MOLB OATOM3857NSERB 1769.753−29.85935.2551.0080.82MOLB NATOM3858CASERB 1769.531−29.07936.4821.0084.68MOLB CATOM3859CBSERB 17610.856−28.81337.2171.0085.57MOLB CATOM3860OGSERB 17610.641−28.31338.5361.0085.60MOLB OATOM3861CSERB 1768.779−27.76136.3281.0086.84MOLB CATOM3862OSERB 1769.094−26.92435.4661.0086.32MOLB OATOM3863NASPB 1777.803−27.59337.2171.0089.11MOLB NATOM3864CAASPB 1777.021−26.38137.3421.0091.49MOLB CATOM3865CBASPB 1775.654−26.74137.9081.0091.61MOLB CATOM3866CGASPB 1774.609−25.71037.5871.0094.42MOLB CATOM3867OD1ASPB 1774.583−25.26636.4171.0097.57MOLB OATOM3868OD2ASPB 1773.816−25.35438.4921.0093.57MOLB OATOM3869CASPB 1777.745−25.45938.3201.0092.89MOLB CATOM3870OASPB 1777.876−25.80539.4961.0093.93MOLB OATOM3871NVALB 1788.202−24.29537.8451.0093.75MOLB NATOM3872CAVALB 1789.034−23.35538.6481.0094.37MOLB CATOM3873CBVALB 1789.198−21.95637.9711.0094.50MOLB CATOM3874CG1VALB 17810.190−22.01736.8111.0095.47MOLB CATOM3875CG2VALB 1787.830−21.37237.5521.0094.87MOLB CATOM3876CVALB 1788.631−23.09340.1071.0094.18MOLB CATOM3877OVALB 1789.513−22.88340.9551.0093.98MOLB OATOM3878NSERB 1797.322−23.08840.3891.0094.19MOLB NATOM3879CASERB 1796.795−22.83041.7511.0093.64MOLB CATOM3880CBSERB 1795.264−23.03541.8151.0093.53MOLB CATOM3881OGSERB 1794.883−24.38341.5841.0090.92MOLB OATOM3882CSERB 1797.510−23.64042.8531.0093.17MOLB CATOM3883OSERB 1797.430−23.29644.0381.0093.35MOLB OATOM3884NGLUB 1808.219−24.69142.4281.0091.00MOLB NATOM3885CAGLUB 1808.953−25.60543.2891.0088.81MOLB CATOM3886CBGLUB 1809.308−26.85442.4991.0088.42MOLB CATOM3887CGGLUB 1808.185−27.81442.2101.0087.93MOLB CATOM3888CDGLUB 1808.737−29.11341.6751.0084.29MOLB CATOM3889OE1GLUB 1807.945−29.97741.2331.0071.81MOLB OATOM3890OE2GLUB 1809.984−29.25741.6971.0082.04MOLB OATOM3891CGLUB 18010.274−25.08443.8121.0088.40MOLB CATOM3892OGLUB 18011.155−24.72043.0331.0089.14MOLB OATOM3893NARGB 18110.422−25.08345.1301.0087.55MOLB NATOM3894CAARGB 18111.722−24.88845.7451.0088.23MOLB CATOM3895CBARGB 18111.602−24.26647.1371.0088.81MOLB CATOM3896CGARGB 18111.459−22.76447.1841.0092.38MOLB CATOM3897CDARGB 18110.186−22.28646.4961.00102.07MOLB CATOM3898NEARGB 1818.987−22.94747.0001.00106.12MOLB NATOM3899CZARGB 1817.749−22.55146.7271.00107.67MOLB CATOM3900NH1ARGB 1817.544−21.48545.9601.00104.43MOLB NATOM3901NH2ARGB 1816.717−23.22247.2211.00109.20MOLB NATOM3902CARGB 18112.305−26.27045.9121.0087.59MOLB CATOM3903OARGB 18111.664−27.13746.4871.0088.60MOLB OATOM3904NLEUB 18213.508−26.50545.4161.0086.82MOLB NATOM3905CALEUB 18214.128−27.78845.6931.0085.41MOLB CATOM3906CBLEUB 18215.114−28.20844.5881.0085.23MOLB CATOM3907CGLEUB 18214.646−28.10243.1081.0082.23MOLB CATOM3908CD1LEUB 18215.114−29.29642.2951.0066.93MOLB CATOM3909CD2LEUB 18213.127−27.96842.9191.0077.18MOLB CATOM3910CLEUB 18214.745−27.62447.0841.0085.34MOLB CATOM3911OLEUB 18214.967−26.48947.5181.0084.06MOLB OATOM3912NGLNB 18314.975−28.74047.7871.0085.90MOLB NATOM3913CAGLNB 18315.355−28.74349.2231.0085.91MOLB CATOM3914CBGLNB 18314.578−29.85549.9401.0086.99MOLB CATOM3915CGGLNB 18313.359−30.44549.1721.0092.21MOLB CATOM3916CDGLNB 18312.013−29.76349.4771.00105.57MOLB CATOM3917OE1GLNB 18310.945−30.37649.3221.00108.46MOLB OATOM3918NE2GLNB 18312.060−28.50449.9111.00105.70MOLB NATOM3919CGLNB 18316.861−28.96249.4691.0084.50MOLB CATOM3920OGLNB 18317.524−29.57948.6391.0085.57MOLB OATOM3921NMETB 18417.392−28.52650.6151.0083.24MOLB NATOM3922CAMETB 18418.853−28.61150.8741.0083.96MOLB CATOM3923CBMETB 18419.403−27.18551.0421.0083.44MOLB CATOM3924CGMETB 18420.928−27.07251.1271.0087.19MOLB CATOM3925SDMETB 18421.562−25.38451.3911.0087.11MOLB SATOM3926CEMETB 18420.886−24.99053.0121.0086.82MOLB CATOM3927CMETB 18419.336−29.52952.0391.0082.78MOLB CATOM3928OMETB 18419.062−29.25053.2031.0081.95MOLB OATOM3929NPHEB 18520.085−30.59251.7171.0084.06MOLB NATOM3930CAPHEB 18520.603−31.58052.7151.0085.88MOLB CATOM3931CBPHEB 18520.144−33.01352.3781.0086.47MOLB CATOM3932CGPHEB 18518.661−33.26152.5081.0090.65MOLB CATOM3933CD1PHEB 18517.904−33.60951.3831.0097.52MOLB CATOM3934CE1PHEB 18516.531−33.86751.4831.0098.73MOLB CATOM3935CZPHEB 18515.905−33.79652.7241.0097.00MOLB CATOM3936CE2PHEB 18516.654−33.46453.8661.0097.82MOLB CATOM3937CD2PHEB 18518.028−33.20653.7521.0096.49MOLB CATOM3938CPHEB 18S22.146−31.68252.8411.0086.47MOLB CATOM3939OPHEB 18522.830−31.90451.8351.0085.56MOLB OATOM3940NASPB 18622.685−31.58554.0641.0086.89MOLB NATOM3941CAASPB 18624.120−31.85054.3051.0088.24MOLB CATOM3942CBASPB 18624.523−31.46755.7271.0087.88MOLB CATOM3943CGASPB 18624.800−29.99255.8801.0086.63MOLB CATOM3944OD1ASPB 18624.845−29.52557.0371.0076.38MOLB OATOM3945OD2ASPB 18624.982−29.30154.8531.0088.77MOLB OATOM3946CASPB 18624.422−33.33054.0831.0089.39MOLB CATOM3947OASPB 18623.828−34.18454.7321.0089.91MOLB OATOM3948NASPB 18725.360−33.64353.1971.0091.17MOLB NATOM3949CAASPB 18725.525−35.04052.7541.0093.33MOLB CATOM3950CBASPB 18726.153−35.13051.3421.0094.17MOLB CATOM3951CGASPB 18727.636−34.76051.3131.0092.19MOLB CATOM3952OD1ASPB 18728.010−33.71451.8831.0084.97MOLB OATOM3953OD2ASPB 18728.420−35.50850.6861.0090.91MOLB OATOM3954CASPB 18726.247−35.99853.6991.0094.82MOLB CATOM3955OASPB 18727.21135.61854.3721.0095.52MOLB OATOM3956NPROB 18825.763−37.25653.7431.0096.09MOLB NATOM3957CAPROB 18826.407−38.36454.4561.0096.50MOLB CATOM3958CBPROB 18825.454−39.54754.2051.0096.58MOLB CATOM3959CGPROB 18824.659−39.16252.9881.0096.92MOLB CATOM3960CDPROB 18824.501−37.67853.1041.0096.24MOLB CATOM3961CPROB 18827.807−38.68053.9041.0096.22MOLB CATOM3962OPROB 18828.780−38.67154.6581.0096.08MOLB OATOM3963NARGB 18927.897−38.94352.6011.0095.88MOLB NATOM3964CAARGB 18929.158−39.31151.9561.0095.97MOLB CATOM3965CBARGB 18928.922−39.62350.4701.0096.23MOLB CATOM3966CGARGB 18928.058−40.87250.2281.0094.40MOLB CATOM3967CDARGB 18927.615−41.02148.7651.0095.19MOLB CATOM3968NEARGB 18928.739−41.10747.8231.00102.74MOLB NATOM3969CZARGB 18928.621−41.23846.4971.00103.41MOLB CATOM3970NH1ARGB 18927.424−41.30445.9201.00103.98MOLB NATOM3971NH2ARGB 18929.709−41.30445.7381.0099.67MOLB NATOM3972CARGB 18930.314−38.30152.1641.0096.65MOLB CATOM3973OARGB 18931.435−38.71052.4721.0097.49MOLB OATOM3974NASNB 19030.047−37.00052.0111.0096.96MOLB NATOM3975CAASNB 19031.068−35.95552.2421.0096.62MOLB CATOM3976CBASNB 19031.452−35.25350.9301.0096.47MOLB CATOM3977CGASNB 19032.446−34.10651.1381.0098.50MOLB CATOM3978OD1ASNB 19033.098−34.00352.1811.00100.50MOLB OATOM3979ND2ASNB 19032.561−33.23950.1371.00100.42MOLB NATOM3980CASNB 19030.656−34.90853.2871.0095.84MOLB CATOM3981OASNB 19029.503−34.49053.3351.0095.93MOLB OATOM3982NLYSB 19131.606−34.48954.1181.0095.01MOLB NATOM3983CALYSB 19131.356−33.46155.1361.0094.17MOLB CATOM3984CBLYSB 19132.541−33.36856.0981.0094.67MOLB CATOM3985CGLYSB 19132.282−33.88057.4971.0095.40MOLB CATOM3986CDLYSB 19132.866−32.87758.4981.0098.45MOLB CATOM3987CELYSB 19131.874−31.74458.8361.0097.70MOLB CATOM3988NZLYSB 19130.937−31.32657.7381.0094.81MOLB NATOM3989CLYSB 19131.090−32.05654.5721.0092.82MOLB CATOM3990OLYSB 19130.027−31.46154.8101.0092.75MOLB OATOM3991NARGB 19232.078−31.53453.8421.0090.20MOLB NATOM3992CAARGB 19232.060−30.16653.3121.0086.66MOLB CATOM3993CBARGB 19233.465−29.80952.8321.0086.01MOLB CATOM3994CGARGB 19234.577−30.36753.7161.0083.00MOLB CATOM3995CDARGB 19235.884−30.48152.9341.0090.88MOLB CATOM3996NEARGB 19236.303−29.21352.3141.0095.92MOLB NATOM3997CZARGB 19236.083−28.86051.0411.0092.27MOLB CATOM3998NH1ARGB 19235.438−29.67350.2051.0089.10MOLB NATOM3999NH2ARGB 19236.513−27.68050.6011.0084.83MOLB NATOM4000CARGB 19231.022−29.95552.1821.0084.50MOLB CATOM4OD1OARGB 19230.748−28.81851.7631.0083.26MOLB OATOM4002NGLYB 19330.450−31.06351.7081.0081.05MOLB NATOM4003CAGLYB 19329.473−31.05150.6241.0076.17MOLB CATOM4004CGLYB 19328.083−30.73551.1201.0071.71MOLB CATOM4005OGLYB 19327.908−30.31452.2731.0069.93MOLB OATOM4006NVALB 19427.105−30.95950.2431.0068.12MOLB NATOM4007CAVALB 19425.708−30.60050.4821.0065.56MOLB CATOM4008CBVALB 19425.549−29.06450.6821.0065.72MOLB CATOM4009CG1VALB 19424.296−28.53149.9851.0062.99MOLB CATOM4010CG2VALB 19425.573−28.68752.1721.0063.92MOLB CATOM4011CVALB 19424.852−31.05449.2971.0064.74MOLB CATOM4012OVALB 19425.170−30.74748.1581.0062.88MOLB OATOM4013NILEB 19523.765−31.77649.5681.0064.45MOLB NATOM4014CAILEB 19522.903−32.30048.5041.0065.26MOLB CATOM4015CBILEB 19522.469−33.80048.7711.0066.52MOLB CATOM4016CG1ILEB 19523.687−34.72048.9921.0071.27MOLB CATOM4017CD1ILEB 19523.348−36.11049.5831.0066.28MOLB CATOM4018CG2ILEB 19521.585−34.35647.6381.0064.07MOLB CATOM4019CILEB 19521.657−31.44448.2661.0064.63MOLB CATOM4020OILEB 19520.934−31.08949.1981.0061.97MOLB OATOM4021NILEB 19621.416−31.11247.0061.0066.24MOLB NATOM4022CAILEB 19620.162−30.46646.6341.0070.02MOLB CATOM4023CBILEB 19620.381−29.19745.7611.0070.09MOLB CATOM4024CG1ILEB 19621.336−28.22746.4691.0068.96MOLB CATOM4025CD1ILEB 19621.536−26.90845.7351.0071.81MOLB CATOM4026CG2ILEB 19619.039−28.53545.4061.0068.52MOLB CATOM4027CILEB 19619.269−31.49345.9271.0071.46MOLB CATOM4028OILEB 19619.266−31.61344.6971.0073.19MOLB OATOM4029NLYSB 19718.527−32.25146.7211.0072.04MOLB NATOM4030CALYSB 19717.662−33.28446.1771.0071.88MOLB CATOM4031CBLYSB 19716.905−34.01247.3191.0072.79MOLB CATOM4032CGLYSB 19715.742−34.93446.8661.0079.36MOLB CATOM4033CDLYSB 19715.251−35.92347.9441.0073.10MOLB CATOM4034CELYSB 19715.815−37.31647.7111.0066.32MOLB CATOM4035NZLYSB 19717.303−37.26747.6431.0073.12MOLB NATOM4036CLYSB 19716.721−32.68145.1261.0068.98MOLB CATOM4037OLYSB 19716.105−31.63045.3511.0069.24MOLB OATOM4038NGLYB 19816.657−33.33543.9681.0066.08MOLB NATOM4039CAGLYB 19815.714−32.96242.9131.0064.14MOLB CATOM4040CGLYB 19816.350−32.33241.6911.0062.01MOLB CATOM4041OGLYB 19815.874−32.52340.5681.0061.57MOLB OATOM4042NLEUB 19917.445−31.60541.9241.0060.16MOLB NATOM4043CALEUB 19918.116−30.74940.9121.0058.59MOLB CATOM4044CBLEUB 19919.177−29.85041.6091.0059.51MOLB CATOM4045CGLEUB 19920.531−29.32041.0981.0058.48MOLB CATOM4046CD1LEUB 19920.494−28.70339.7301.0052.75MOLB CATOM4047CD2LEUB 19921.062−28.32142.1031.0055.82MOLB CATOM4048CLEUB 19918.636−31.43939.6321.0056.76MOLB CATOM4049OLEUB 19919.538−32.27439.6621.0056.09MOLB OATOM4050NGLUB 20018.050−31.05538.5081.0054.72MOLB NATOM4051CAGLUB 20018.381−31.63537.2221.0055.91MOLB CATOM4052CBGLUB 20017.692−30.82136.1211.0055.43MOLB CATOM4053CGGLUB 20017.380−31.57434.8471.0059.41MOLB CATOM4054CDGLUB 20016.333−32.66035.0551.0066.80MOLB CATOM4055OE1GLUB 20016.572−33.57035.8771.0059.03MOLB OATOM4056OE2GLUB 20015.277−32.61434.3821.0071.33MOLB OATOM4057CGLUB 20019.898−31.69736.9751.0055.71MOLB CATOM4058OGLUB 20020.617−30.72137.1901.0056.34MOLB OATOM4059NGLUB 20120.389−32.85336.5461.0054.62MOLB NATOM4060CAGLUB 20121.767−32.93836.0941.0055.18MOLB CATOM4061CBGLUB 20122.586−33.84436.9871.0053.64MOLB CATOM4062CGGLUB 20123.163−33.15438.1861.0054.76MOLB CATOM4063CDGLUB 20123.894−34.11639.0781.0053.91MOLB CATOM4064OE1GLUB 20123.873−35.33438.8061.0052.23MOLB OATOM4065OE2GLUB 20124.497−33.65240.0571.0065.31MOLB OATOM4066CGLUB 20121.853−33.42834.6521.0057.82MOLB CATOM4067OGLUB 20122.203−34.58834.4081.0060.65MOLB OATOM4068NILEB 20221.525−32.55733.6961.0057.13MOLB NATOM4069CAILEB 20221.597−32.91732.2831.0055.98MOLB CATOM4070CBILEB 20221.100−31.78531.4221.0053.94MOLB CATOM4071CG1ILEB 20219.575−31.86131.2941.0053.73MOLB CATOM4072CD1ILEB 20218.882−30.52430.9651.0022.57MOLB CATOM4073CG2ILEB 20221.747−31.86330.0801.0052.73MOLB CATOM4074CILEB 20223.016−33.30931.8381.0058.15MOLB CATOM4075OILEB 20223.999−32.62632.1421.0059.98MOLB OATOM4076NTHRB 20323.118−34.42631.1281.0059.12MOLB NATOM4077CATHRB 20324.400−34.88030.6101.0058.93MOLB CATOM4078CBTHRB 20324.424−36.41630.3911.0058.71MOLB CATOM4079OG1THRB 20324.235−37.09631.6451.0054.66MOLB OATOM4080CG2THR8 20325.748−36.85129.7591.0055.01MOLB CATOM4081CTHRB 20324.616−34.19829.2791.0060.53MOLB CATOM4082OTHRB 20323.652−33.97828.5401.0061.11MOLB OATOM4083NVALB 20425.866−33.85728.9661.0061.07MOLB NATOM4084CAVALB 20426.173−33.23327.6801.0061.17MOLB CATOM4085CBVALB 20426.988−31.93427.8341.0063.53MOLB CATOM4086CG1VALB 20427.078−31.20026.4841.0062.55MOLB CATOM4087CG2VALB 20426.389−31.02728.9231.0064.46MOLB CATOM4088CVALB 20426.992−34.18226.8611.0059.00MOLB CATOM4089OVALB 20428.193−34.28627.0651.0058.44MOLB 0ATOM4090NHISB 20526.346−34.86025.9231.0059.37MOLB NATOM4091CAHISB 20527.019−35.91225.1561.0060.00MOLB CATOM4092CBHISB 20525.992−36.78924.4431.0059.06MOLB CATOM4093CGHISB 20524.971−37.36725.3721.0063.91MOLB CATOM4094ND1HISB 20523.664−36.92725.4141.0072.75MOLB NATOM4095CE1HISB 20523.OD1−37.60426.3361.0071.66MOLB CATOM4096NE2HISB 20523.836−38.45526.9051.0074.42MOLB NATOM4097CD2HISB 20525.077−38.31926.3291.0069.87MOLB CATOM4098CHISB 20528.065−35.35424.2001.0058.73MOLB CATOM4099OHISB 20529.116−35.94624.0051.0059.68MOLB OATOM4100NASNB 20627.792−34.19023.6371.0057.85MOLB NATOM4101CAASNB 20628.735−33.55022.7431.0057.42MOLB CATOM4102CBASNB 20628.466−34.02721.3131.0057.09MOLB CATOM4103CGASNB 20626.996−33.81720.8781.0059.56MOLB CATOM4104OD1ASNB 20626.489−32.69120.8411.0076.04MOLB OATOM4105ND2ASNB 20626.324−34.90520.5271.0061.34MOLB NATOM4106CASNB 20628.644−32.02322.7901.0057.90MOLB CATOM4107OASNB 20627.628−31.44723.2271.0054.95MOLB OATOM4108NLYSB 20729.707−31.36322.3341.0059.58MOLB NATOM4109CALYSB 20729.591−29.94122.0051.0059.83MOLB CATOM4110CBLYSB 20730.918−29.37421.4801.0058.28MOLB CATOM4111CGLYSB 20731.294−29.85520.1091.0052.59MOLB CATOM4112CDLYSB 20732.283−28.93019.4741.0064.71MOLB CATOM4113CELYSB 20732.213−29.03317.9611.0070.65MOLB CATOM4114NZLYSB 20732.885−27.86817.3121.0078.20MOLB NATOM4115CLYSB 20728.483−29.89220.9371.0060.16MOLB CATOM4116OLYSB 20728.310−30.85120.1951.0061.57MOLB OATOM4117NASPB 20827.735−28.80220.8461.0060.47MOLB NATOM4118CAASPB 20826.568−28.75319.9581.0062.12MOLB CATOM4119CBASPB 20826.545−29.91218.9371.0062.10MOLB CATOM4120CGASPB 20827.441−29.66317.7191.0066.53MOLB CATOM4121OD1ASPB 20828.256−28.70317.7541.0071.15MOLB OATOM4122OD2ASPB 20827.326−30.43716.7301.0062.54MOLB OATOM4123CASPB 20825.354−28.86120.8521.0062.21MOLB CATOM4124OASPB 20824.754−27.84121.2321.0061.53MOLB OATOM4125NGLUB 20925.008−30.10721.1911.0060.89MOLB NATOM4126CAGLUB 20923.924−30.39022.1131.0059.86MOLB CATOM4127CBGLU8 20924.128−31.75922.7631.0059.90MOLB CATOM4128CGGLUB 20923.087−32.09023.8461.0062.75MOLB CATOM4129CDGLUB 20923.180−33.51624.3601.0063.74MOLB CATOM4130OE1GLUB 20923.571−34.42023.5841.0075.49MOLB OATOM4131OE2GLUB 20922.854−33.73325.5461.0069.99MOLB OATOM4132CGLUB 20923.846−29.31523.1931.0057.77MOLB CATOM4133OGLUB 20922.845−29.19623.9111.0058.69MOLB OATOM4134NVALB 21024.911−28.52823.3041.0054.60MOLB NATOM4135CAVALB 21024.979−27.49224.3241.0050.37MOLB CATOM4136CBVALB 21026.455−26.97624.5511.0050.31MOLB CATOM4137CG1VALB 21027.411−27.56023.5271.0041.74MOLB CATOM4138CG2VALB 21026.537−25.42724.6211.0039.92MOLB CATOM4139CVALB 21023.981−26.36024.0771.0051.71MOLB CATOM4140OVALB 21023.295−25.94425.OD11.0052.59MOLB OATOM4141NTYRB 21123.867−25.89622.8341.0050.28MOLB NATOM4142CATYRB 21123.098−24.67622.5591.0048.99MOLB CATOM4143CBTYRB 21123.103−24.35021.0731.0048.83MOLB CATOM4144CGTYRB 21122.775−22.91420.7951.0053.57MOLB CATOM4145CD1TYRB 21121.581−22.55420.1611.0067.17MOLB CATOM4146CE1TYRB 21121.269−21.21419.8951.0065.00MOLB CATOM4147CZTYRB 21122.160−20.22020.2791.0066.05MOLB CATOM4148OHTYRB 21121.879−18.87920.0391.0062.46MOLB OATOM4149CE2TYRB 21123.353−20.56720.9141.0068.05MOLB CATOM4150CD2TYRB 21123.647−21.90521.1711.0054.11MOLB CATOM4151CTYRB 21121.678−24.69623.1001.0047.82MOLB CATOM4152OTYRB 21121.281−23.79423.8351.0046.80MOLB OATOM4153NGLNB 21220.925−25.73022.7411.0048.24MOLB NATOM4154CAGLNB 21219.551−25.88823.1981.0048.96MOLB CATOM4155CBGLNB 21218.905−27.16122.6421.0049.90MOLB CATOM4156CGGLNB 21219.628−27.80621.4461.0059.05MOLB CATOM4157CDGLNB 21220.775−28.73121.8781.0065.17MOLB CATOM4158OE1GLNB 21221.863−28.73721.2771.0058.17MOLB OATOM4159NE2GLNB 21220.536−29.50422.9351.0066.39MOLB NATOM4160CGLNB 21219.559−25.96024.7171.0048.11MOLB CATOM4161OGLNB 21218.720−25.37025.3901.0047.51MOLB OATOM4162NILEB 21320.509−26.68625.2791.0047.45MOLB NATOM4163CAILEB 21320.547−26.72526.7211.0047.12MOLB CATOM4164CBILEB 21321.803−27.40927.2461.0047.81MOLB CATOM4165CG1ILEB 21321.939−28.81926.6661.0047.91MOLB CATOM4166CD1ILEB 21323.060−29.63027.3311.0042.63MOLB CATOM4167CG2ILEB 21321.810−27.41028.7791.0046.33MOLB CATOM4168CILEB 21320.501−25.28827.2381.0047.69MOLB CATOM4169OILEB 21319.742−24.97728.1481.0049.77MOLB 0ATOM4170NLEUB 21421.305−24.40526.6491.0047.21MOLB NATOM4171CALEUB 21421.375−23.03527.1421.0045.34MOLB CATOM4172CBLEUB 21422.594−22.27126.6051.0044.85MOLB CATOM4173CGLEUB 21424.015−22.61527.0511.0034.59MOLB CATOM4174CD1LEUB 21425.066−21.94026.1521.0026.68MOLB CATOM4175CD2LEUB 21424.244−22.25528.4821.0034.21MOLB CATOM4176CLEUB 21420.086−22.29726.8211.0046.03MOLB CATOM4177OLEUB 21419.693−21.39927.5751.0044.99MOLB OATOM4178NGLUB 21519.433−22.66825.7151.0046.27MOLB NATOM4179CAGLUB 21518.102−22.10125.4081.0047.96MOLB CATOM4180CBGLUB 21517.566−22.56124.0491.0045.42MOLB CATOM4181CGGLUB 21518.272−21.88922.8861.0052.17MOLB CATOM4182CDGLUB 21518.239−22.68921.5931.0068.73MOLB CATOM4183OE1GLUB 21517.985−23.91721.6331.0071.33MOLB OATOM4184OE2GLUB 21518.494−22.08420.5271.0077.67MOLB OATOM4185CGLUB 21517.139−22.45026.5351.0047.80MOLB CATOM4186OGLUB 21516.610−21.56827.2041.0047.51MOLB OATOM4187NLYSB 21616.960−23.74226.7651.0049.47MOLB NATOM4188CALYSB 21616.131−24.21127.8541.0052.75MOLB CATOM4189CBLYSB 21616.422−25.69328.1631.0053.47MOLB CATOM4190CGLYSB 21616.024−26.69727.0611.0056.75MOLB CATOM4191CDLYSB 21616.340−28.14627.5001.0057.59MOLB CATOM4192CELYSB 21616.021−29.17926.4051.0059.05MOLB CATOM4193NZLYSB 21616.775−28.92325.1631.0054.12MOLB NATOM4194CLYSB 21616.398−23.35929.0931.0051.47MOLB CATOM4195OLYSB 21615.477−22.86929.7521.0051.46MOLB OATOM4196NGLYB 21717.6762−3.18229.3911.0049.81MOLB NATOM4197CAGLYB 21718.080−22.46530.5811.0049.73MOLB CATOM4198CGLYB 21717.565−21.05230.6291.0049.46MOLB CATOM4199OGLYB 21716.801−20.69331.5131.0050.81MOLB OATOM4200NALAB 21817.976−20.23629.6741.0049.68MOLB NATOM4201CAALAB 21817.518−18.85629.6661.0049.27MOLB CATOM4202CBALAB 21818.287−18.02528.6101.0049.20MOLB CATOM4203CALAB 21815.996−18.78429.4561.0047.83MOLB CATOM4204OALAB 21815.350−17.85429.9511.0047.83MOLB OATOM4205NALAB 21915.434−19.76928.7471.0046.32MOLB NATOM4206CAALAB 21913.998−19.77428.4361.0046.32MOLB CATOM4207CBALAB 21913.664−20.84427.4321.0043.25MOLB CATOM4208CALAB 21913.165−19.92129.7121.0047.87MOLB CATOM4209OALAB 21912.212−19.16829.9551.0048.20MOLB OATOM4210NLYSB 22013.559−20.86630.5501.0049.44MOLB NATOM4211CALYSB 22012.931−21.01831.8391.0050.52MOLB CATOM4212CBLYSB 22013.255−22.39132.4311.0052.01MOLB CATOM4213CGLYSB 22012.344−22.84433.5931.0054.20MOLB CATOM4214CDLYSB 22012.497−24.34733.8371.0051.38MOLB CATOM4215CELYSB 22011.999−24.74035.2141.0058.65MOLB CATOM4216NZLYSB 22012.106−26.21335.4551.0072.13MOLB NATOM4217CLYSB 22013.360−19.91532.7811.0051.01MOLB CATOM4218OLYSB 22012.656−19.62233.7221.0052.79MOLB OATOM4219NARGB 22114.507−19.28632.5541.0054.47MOLB NATOM4220CAARGB 22114.917−18.21133.4781.0057.43MOLB CATOM4221CBARGB 22116.351−17.72133.2531.0057.92MOLB CATOM4222CGARGB 22116.719−16.58134.2301.0060.38MOLB CATOM4223CDARGB 22118.209−16.34734.3441.0061.71MOLB CATOM4224NEARGB 22118.885−16.46533.0531.0066.55MOLB NATOM4225CZARGB 22119.974−17.19332.8471.0065.92MOLB CATOM4226NH1ARGB 22120.514−17.84733.8661.0068.24MOLB NATOM4227NH2ARGB 22120.537−17.24431.6371.0060.78MOLB NATOM4228CARGB 22113.958−17.03333.4271.0058.89MOLB CATOM4229OARGB 22113.664−16.41734.4421.0058.70MOLB OATOM4230NTHRB 22213.478−16.72432.2331.0060.98MOLB NATOM4231CATHRB 22212.524−15.65632.0581.0062.58MOLB CATOM4232CBTHRB 22212.318−15.40430.5961.0062.43MOLB CATOM4233OG1THRB 22211.993−16.65329.9701.0067.21MOLB OATOM4234CG2THRB 22213.594−14.82429.9771.0062.70MOLB CATOM4235CTHRB 22211.194−16.06432.6691.0063.48MOLB CATOM4236OTHRB 22210.597−15.29533.4301.0064.31MOLB OATOM4237NTHRB 22310.748−17.27632.3331.0063.42MOLB NATOM4238CATHRB 2239.494−17.83832.8461.0064.93MOLB CATOM4239CBTHRB 2239.464−19.37832.7051.0065.80MOLB CATOM4240OG1THRB 2239.391−19.75331.3211.0067.26MOLB OATOM4241CG2THRB 2238.277−19.96133.4611.0065.69MOLB CATOM4242CTHRB 2239.278−17.53134.3191.0065.51MOLB CATOM4243OTHRB 2238.147−17.32634.7531.0066.13MOLB OATOM4244NALAB 22410.374−17.51335.0751.0065.91MOLB NATOM4245CAALAB 22410.352−17.31636.5271.0067.50MOLB CATOM4246CBALAB 22411.527−18.06737.1791.0067.50MOLB CATOM4247CALAB 22410.381−15.84836.9341.0067.84MOLB CATOM4248OALAB 22410.082−15.49238.0691.0066.11MOLB OATOM4249NALAB 22510.776−14.99336.0091.0070.17MOLB NATOM4250CAALAB 22510.808−13.58336.3031.0072.35MOLB CATOM4251CBALAB 22511.590−12.84535.2371.0072.49MOLB CATOM4252CALAB 2259.361−13.08836.3861.0074.19MOLB CATOM4253OALAB 2258.992−12.37137.3151.0074.44MOLB OATOM4254NTHRB 2268.542−13.50235.4231.0075.09MOLB NATOM4255CATHRB 2267.139−13.13635.4021.0075.63MOLB CATOM4256CBTHRB 2266.471−13.50534.0581.0076.48MOLB CATOM4257OG1THRB 2267.412−13.36732.9831.0080.19MOLB OATOM4258CG2THRB 2265.212−12.64233.8151.0074.81MOLB CATOM4259CTHRB 2266.362−13.91236.4511.0075.19MOLB CATOM4260OTHRB 2265.845−13.33637.4021.0074.98MOLB OATOM4261NLEUB 2276.301−15.22936.2671.0074.01MOLB NATOM4262CALEUB 2275.349−16.06036.9911.0073.57MOLB CATOM4263CBLEUB 2275.103−17.37036.2431.0072.43MOLB CATOM4264CGLEUB 2274.671−17.19434.7811.0077.05MOLB CATOM4265CD1LEUB 2274.393−18.53834.1011.0078.86MOLB CATOM4266CD2LEUB 2273.461−16.25934.6531.0083.44MOLB CATOM4267CLEUB 2275.716−16.33838.4331.0073.98MOLB CATOM4268OLEUB 2275.092−17.19639.0761.0074.37MOLB OATOM4269NMETB 2286.701−15.59838.9451.0073.32MOLB NATOM4270CAMETB 2287.178−15.77940.3231.0073.80MOLB CATOM4271CBMETB 2287.893−17.12640.4461.0072.03MOLB CATOM4272CGMETB 2287.942−17.66141.8601.0077.10MOLB CATOM4273SDMETB 2287.468−19.39041.8711.0082.79MOLB SATOM4274CEMETB 2285.744−19.26841.3711.0085.41MOLB CATOM4275CMETB 2288.051−14.61440.8461.0071.18MOLB CATOM4276OMETB 2288.626−14.68541.9411.0070.00MOLB OATOM4277NASNB 2298.102−13.54240.0501.0070.64MOLB NATOM4278CAASNB 2298.819−12.28740.3411.0068.29MOLB CATOM4279CBASNB 2298.065−11.40541.3491.0068.85MOLB CATOM4280CGASNB 2296.926−10.60540.6951.0074.53MOLB CATOM4281OD1ASNB 2297.042−10.12839.5531.0078.04MOLB OATOM4282ND2ASNB 2295.817−10.45641.4241.0083.34MOLB NATOM4283CASNB 22910.259−12.45240.7371.0066.57MOLB CATOM4284OASNB 22910.782−11.69041.5531.0065.89MOLB OATOM4285NALAB 23010.894−13.46340.1551.0065.53MOLB NATOM4286CAALAB 23012.325−13.64140.3171.0063.22MOLB CATOM4287CBALAB 23012.708−15.09440.1791.0063.05MOLB CATOM4288CALAB 23012.945−12.80339.2161.0061.83MOLB CATOM4289OALA8 23013.120−13.27538.0851.0062.78MOLB OATOM4290NTYRB 23113.187−11.52839.5161.0059.35MOLB NATOM4291CATYRB 23113.820−10.65938.5371.0056.71MOLB CATOM4292CBTYRB 23113.486−9.16538.7281.0057.11MOLB CATOM4293CGTYRB 23112.051−8.93238.3431.0055.59MOLB CATOM4294CD1TYRB 23111.629−9.18037.0341.0057.32MOLB CATOM4295CE1TYRB 23110.303−9.02336.6501.0057.09MOLB CATOM4296CZTYRB 2319.364−8.62237.5901.0063.54MOLB CATOM4297OHTYRB 2318.043−8.47437.1911.0062.15MOLB OATOM4298CE2TYRB 2319.757−8.37738.9141.0055.96MOLB CATOM4299CD2TYRB 23111.102−8.54439.2801.0050.71MOLB CATOM4300CTYRB 23115.298−11.03038.4961.0056.36MOLB CATOM4301OTYRB 23115.980−11.2149.5201.0054.97MOLB OATOM4302NSERB 23215.742−11.21437.2691.0055.76MOLB NATOM4303CASERB 23217.034−11.77636.9511.0055.44MOLB CATOM4304CBSERB 23217.049−11.93435.4351.0055.58MOLB CATOM4305OGSERB 23215.675−12.07034.9971.0048.43MOLB OATOM4306CSERB 23218.211−10.95537.5301.0055.44MOLB CATOM4307OSERB 23219.303−11.46237.6981.0057.04MOLB OATOM4308NSERB 23317.947−9.71237.9071.0055.64MOLB NATOM4309CASERB 23318.926−8.82738.5441.0055.64MOLB CATOM4310CBSERB 23318.521−7.40638.2211.0055.19MOLB CATOM4311OGSERB 23317.720−7.42537.0531.0061.38MOLB OATOM4312CSERB 23319.046−8.93940.0801.0055.42MOLB CATOM4313OSERB 23319.887−8.26440.6751.0054.93MOLB OATOM4314NARGB 23418.216−9.77240.7161.0055.12MOLB NATOM4315CAARGB 23418.201−9.89042.1841.0055.38MOLB CATOM4316CBARGB 23416.929−9.24742.7781.0056.91MOLB CATOM4317CGARGB 23416.437−7.97742.0351.0062.45MOLB CATOM4318CDARGB 23415.308−7.18742.7641.0058.99MOLB CATOM4319NEARGB 23414.776−6.09941.9191.0074.13MOLB NATOM4320CZARGB 23415.383−4.92541.6751.0078.89MOLB CATOM4321NH1ARGB 23416.567−4.64042.2151.0077.12MOLB NATOM4322NH2ARGB 23414.802−4.02140.8811.0072.78MOLB NATOM4323CARGB 23418.325−11.34442.6551.0053.13MOLB CATOM4324OARGB 23418.092−11.66043.8341.0051.41MOLB OATOM4325NSERB 23518.697−12.22041.7241.0051.84MOLB NATOM4326CASERB 23518.836−13.65742.0021.0050.56MOLB CATOM4327CBSERB 23518.048−14.48840.9901.0048.02MOLB CATOM4328OGSERB 23516.973−13.76040.4231.0056.59MOLB OATOM4329CSERB 23520.292−14.06841.8771.0049.75MOLB CATOM4330OSERB 23520.932−13.73940.8691.0050.93MOLB OATOM4331NHISB 23620.829−14.77442.8721.0047.33MOLB NATOM4332CAHISB 23622.162−15.29242.7231.0047.67MOLB CATOM4333CBHISB 23622.636−15.94943.9811.0046.25MOLB CATOM4334CGHISB 23622.911−14.97945.0711.0048.32MOLB CATOM4335ND1HISB 23623.465−13.74344.8291.0053.07MOLB NATOM4336CE1HISB 23623.615−13.10545.9741.0058.11MOLB CATOM4337NE2HISB 23623.182−13.88446.9491.0055.52MOLB NATOM4338CD2HISB 23622.745−15.06746.4111.0053.16MOLB CATOM4339CHISB 23622.077−16.31241.6361.0049.93MOLB CATOM4340OHISB 23620.982−16.73041.2601.0051.43MOLB OATOM4341NSERB 23723.209−16.72741.0961.0050.14MOLB NATOM4342CASERB 23723.095−17.69740.0141.0050.48MOLB CATOM4343CBSERB 23722.787−17.01938.6671.0048.69MOLB CATOM4344OGSERB 23722.442−17.99737.7071.0044.36MOLB OATOM4345CSERB 23724.286−18.65539.9231.0049.62MOLB CATOM4346OSERB 23725.465−18.24639.9691.0049.37MOLB OATOM4347NVALB 23823.941−19.93139.7801.0046.99MOLB NATOM4348CAVALB 23824.918−20.98439.8581.0044.43MOLB CATOM4349CBVALB 23824.817−21.73641.1971.0044.14MOLB CATOM4350CG1VALB 23825.543−23.04441.1091.0044.27MOLB CATOM4351CG2VALB 23825.400−20.89042.3161.0035.86MOLB CATOM4352CVALB 23824.821−21.97138.7241.0043.86MOLB CATOM4353OVALB 23823.853−22.73638.6321.0044.42MOLB OATOM4354NPHEB 23925.846−21.92037.8691.0042.42MOLB NATOM4355CAPHEB 23926.085−22.89836.8331.0039.50MOLB CATOM4356CBPHEB 23926.422−22.21435.5361.0038.22MOLB CATOM4357CGPHEB 23926.100−23.03034.3131.0039.92MOLB CATOM4358CD1PHEB 23927.037−23.92833.7791.0024.67MOLB CATOM4359CE1PHEB 23926.727−24.66832.6111.0022.06MOLB CATOM4360CZPHEB 23925.466−24.51831.9811.0029.73MOLB CATOM4361CE2PHEB 23924.535−23.62732.5081.0034.34MOLB CATOM4362CD2PHEB 23924.863−22.87933.6701.0035.48MOLB CATOM4363CPHEB 23927.234−23.79337.3111.0040.16MOLB CATOM4364OPHEB 23928.283−23.33637.8201.0038.19MOLB OATOM4365NSERB 24027.000−25.09337.1971.0041.30MOLB NATOM4366CASERB 24027.948−26.06637.6901.0041.82MOLB CATOM4367CBSERB 24027.414−26.75538.9241.0040.33MOLB CATOM4368OGSERB 24027.287−25.81539.9681.0046.46MOLB OATOM4369CSERB 24028.141−27.09736.6531.0042.50MOLB CATOM4370OSERB 24027.163−27.69036.1591.0043.98MOLB OATOM4371NVALB 24129.396−27.30036.2881.0040.97MOLB NATOM4372CAVALB 24129.686−28.46335.4971.0041.60MOLB CATOM4373CBVALB 24130.184−28.14434.0791.0040.21MOLB CATOM4374CG1VALB 24130.711−26.75033.9971.0037.95MOLB CATOM4375CG2VALB 24131.214−29.17433.6541.0036.33MOLB CATOM4376CVALB 24130.592−29.41636.2801.0044.52MOLB CATOM4377OVALB 24131.437−29.00937.0891.0044.55MOLB OATOM4378NTHRB 24230.334−30.70136.0951.0046.58MOLB NATOM4379CATHRB 24231.124−31.72136.7251.0046.28MOLB CATOM4380CBTHRB 24230.332−32.46437.8021.0045.07MOLB CATOM4381OG1THRB 24230.154−31.60538.9321.0051.95MOLB OATOM4382CG2THRB 24231.093−33.65938.2791.0043.79MOLB CATOM4383CTHRB 24231.419−32.64035.6001.0047.28MOLB CATOM4384OTHRB 24230.528−32.97634.8031.0047.09MOLB OATOM4385NILEB 24332.675−33.03735.5101.0048.93MOLB NATOM4386CAILEB 24333.073−33.95534.4531.0050.83MOLB CATOM4387CBILEB 24333.662−33.19033.2421.0050.38MOLB CATOM4388CG1ILEB 24334.730−34.02032.5371.0054.78MOLB CATOM4389CD1ILEB 24336.154−33.61732.9311.0059.96MOLB CATOM4390CG2ILEB 24334.313−31.85633.6851.0047.03MOLB CATOM4391CILEB 24334.006−35.06634.9591.0051.33MOLB CATOM4392OILEB 24335.108−34.79335.4701.0050.45MOLB OATOM4393NHISB 24433.539−36.31034.8271.0051.82MOLB NATOM4394CAHISB 24434.335−37.48035.2091.0052.54MOLB CATOM4395CBHISB 24433.442−38.67435.6111.0051.30MOLB CATOM4396CGHISB 24432.599−38.42636.8251.0053.46MOLB CATOM4397ND1HISB 24431.238−38.20136.7581.0060.51MOLB NATOM4398CE1HISB 24430.762−38.01237.9791.0055.30MOLB CATOM4399NE2HISB 24431.766−38.10238.8351.0056.24MOLB NATOM4400CD2HISB 24432.926−38.35838.1391.0054.55MOLB CATOM4401CHISB 24435.241−37.83634.0341.0052.24MOLB CATOM4402OHISB 24434.759−38.07232.9221.0051.05MOLB OATOM4403NMETB 24536.547−37.84834.2911.0053.22MOLB NATOM4404CAMETB 24537.557−38.15433.2791.0054.08MOLB CATOM4405CBMETB 24538.585−37.03233.1901.0054.14MOLB CATOM4406CGMETB 24538.059−35.64832.9571.0048.68MOLB CATOM4407SDMETB 24539.322−34.42233.4081.0049.14MOLB SATOM4408CEMETB 24538.919−33.98235.0861.0028.03MOLB CATOM4409CMETB 24538.325−39.39833.6931.0058.06MOLB CATOM4410OMETB 245.38.070−39.94834.7581.0058.77MOLB OATOM4411NLYSB 24639.286−39.80432.8551.0061.26MOLB NATOM4412CALYSB 24640.219−40.91333.1341.0063.13MOLB CATOM4413CBLYSB 24639.485−42.24733.3201.0061.64MOLB CATOM4414CGLYSB 24640.453−43.41733.2171.0069.56MOLB CATOM4415CDLYSB 24640.217−44.49334.2561.0076.83MOLB CATOM4416CELYSB 24639.137−45.47233.8301.0078.32MOLB CATOM4417NZLYSB 24639.026−46.58234.8181.0075.95MOLB NATOM4418CLYSB 24641.369−41.08232.0991.0063.70MOLB CATOM4419OLYSB 24641.257−41.87931.1551.0061.56MOLB OATOM4420NGLUB 24742.464−40.33832.2951.0065.03MOLB NATOM4421CAGLUB 24743.671−40.46231.4581.0065.94MOLB CATOM4422CBGLUB 24744.685−39.34431.7521.0065.91MOLB CATOM4423CGGLUB 24744.689−38.15230.7651.0065.67MOLB CATOM4424CDGLUB 24745.872−37.17630.9931.0065.78MOLB CATOM4425OE1GLUB 24746.734−37.00730.0761.0044.86MOLB OATOM4426OE2GLUB 24745.937−36.57732.0981.0066.96MOLB OATOM4427CGLUB 24744.342−41.81131.6821.0067.47MOLB CATOM4428OGLUB 24744.512−42.22832.8301.0066.80MOLB OATOM4429NTHRB 24844.723−42.47330.5801.0069.32MOLB NATOM4430CATHRB 24845.387−43.79230.5861.0070.04MOLB CATOM4431CBTHRB 24844.401−44.92230.1421.0068.14MOLB CATOM4432OG1THRB 24843.146−44.80430.8331.0064.72MOLB OATOM4433CG2THRB 24844.987−46.26830.4331.0066.12MOLB CATOM4434CTHRB 24846.618−43.79429.6471.0071.64MOLB CATOM4435OTHRB 24846.474−43.47328.4651.0071.63MOLB OATOM4436NTHRB 24947.811−44.14430.1611.0074.50MOLB NATOM4437CATHRB 24949.078−44.22129.3491.0075.89MOLB CATOM4438CBTHRB 24950.131−43.10029.7491.0076.11MOLB CATOM4439OG1THRB 24949.841−41.87729.0621.0077.04MOLB OATOM4440CG2THRB 24951.549−43.48729.3851.0074.94MOLB CATOM4441CTHRB 24949.757−45.63029.3101.0079.53MOLB CATOM4442OTHRB 24949.320−46.57329.9901.0079.79MOLB OATOM4443NILEB 25050.805−45.76928.4901.0082.70MOLB NATOM4444CAILEB 25051.585−47.01128.4281.0085.91MOLB CATOM4445CBILEB 25051.999−47.40126.9791.0086.18MOLB CATOM4446CG1ILEB 25050.871−47.16825.9721.0086.07MOLB CATOM4447CD1ILEB 25051.259−47.51124.5301.0083.95MOLB CATOM4448CG2ILEB 25052.432−48.86726.9301.0089.81MOLB CATOM4449CILEB 25052.854−46.86829.2911.0088.10MOLB CATOM4450OILEB 25053.613−45.89729.1291.0088.29MOLB OATOM4451NASPB 25153.084−47.84230.1841.0090.34MOLB NATOM4452CAASPB 25154.178−47.79031.1821.0091.10MOLB CATOM4453CBASPB 25155.533−48.23530.5951.0091.61MOLB CATOM4454CGASPB 25155.527−49.69630.1151.0092.69MOLB CATOM4455OD1ASPB 25155.072−50.60630.8541.0081.98MOLB OATOM4456OD2ASPB 25156.000−49.93028.9821.0099.24MOLB OATOM4457CASPB 25154.258−46.37831.7451.0090.66MOLB CATOM4458OASPB 25155.281−45.70231.6221.0089.77MOLB OATOM4459NGLYB 25253.138−45.96532.3411.0091.72MOLB NATOM4460CAGLYB 25252.892−44.61032.8521.0092.97MOLB CATOM4461CGLYB 25251.587−44.58633.6561.0093.85MOLB CATOM4462OGLYB 25250.650−45.33933.3511.0095.12MOLB OATOM4463NGLUB 25351.517−43.69734.6541.0093.44MOLB NATOM4464CAGLUB 25350.458−43.68235.7051.0091.66MOLB CATOM4465CBGLUB 25350.847−42.66736.8031.0092.15MOLB CATOM4466CGGLUB 25350.385−43.02838.2151.0092.35MOLB CATOM4467CDGLUB 25351.420−42.67139.2781.0090.53MOLB CATOM4468OE1GLUB 25352.617−42.53838.9301.0090.07MOLB OATOM4469OE2GLUB 25351.040−42.54040.4621.0085.20MOLB OATOM4470CGLUB 25348.985−43.48135.2611.0089.36MOLB CATOM4471OGLUB 25348.609−42.39534.8101.0091.02MOLB OATOM4472NGLUB 25448.179−44.54335.4131.0085.53MOLB NATOM4473CAGLUB 25446.726−44.58135.1261.0080.40MOLB CATOM4474CBGLUB 25446.218−46.02035.3821.0080.45MOLB CATOM4475CGGLUB 25445.158−46.58234.4191.0079.68MOLB CATOM4476CDGLUB 25443.705−46.40434.8941.0080.00MOLB CATOM4477OE1GLUB 25442.796−46.55334.0521.0083.84MOLB OATOM4478OE2GLUB 25443.457−46.12936.0911.0068.99MOLB OATOM4479CGLUB 25446.016−43.57236.0471.0076.48MOLB CATOM4480OGLUB 25446.441−43.39837.1871.0076.71MOLB OATOM4481NLEUB 25544.961−42.89735.5791.0072.17MOLB NATOM4482CALEUB 25544.296−41.85436.4021.0068.29MOLB CATOM4483CBLEUB 25544.987−40.47636.1781.0068.99MOLB CATOM4484CGLEUB 25546.387−40.11136.7501.0064.71MOLB CATOM4485CD1LEUB 25547.324−39.52635.6871.0065.79MOLB CATOM4486CD2LEUB 25546.350−39.18937.9751.0046.37MOLB CATOM4487CLEUB 25542.754−41.73136.2201.0065.76MOLB CATOM4488OLEUB 25542.253−41.65435.0981.0065.12MOLB OATOM4489NVALB 25642.009−41.72637.3301.0062.90MOLB NATOM4490CAVALB 25640.561−41.41537.3021.0059.51MOLB CATOM4491CBVALB 25639.674−42.53037.8851.0058.81MOLB CATOM4492CG1VALB 25638.177−42.14837.7681.0058.41MOLB CATOM4493CG2VALB 25639.952−43.83637.2071.0059.79MOLB CATOM4494CVALB 25640.317−40.16938.1421.0056.96MOLB CATOM4495OVALB 25640.776−40.10039.2821.0057.63MOLB OATOM4496NLYSB 25739.606−39.18337.5991.0053.69MOLB NATOM4497CALYSB 25739.394−37.92838.3391.0047.69MOLB CATOM4498CBLYSB 25740.565−36.95238.1491.0045.68MOLB CATOM4499CGLYSB 25741.010−36.79736.7281.0038.23MOLB CATOM4500CDLYSB 25742.320−37.50036.5401.0055.36MOLB CATOM4501CELYSB 25743.491−36.55436.7161.0062.27MOLB CATOM4502NZLYSB 25743.571−35.58035.5711.0059.18MOLB NATOM4503CLYSB 25738.087−37.21538.0521.0044.35MOLB CATOM4504OLYSB 25737.470−37.36736.9981.0041.97MOLB OATOM4505NILEB 25837.679−36.42539.0241.0043.71MOLB NATOM4506CAILEB 25836.498−35.60038.8551.0045.03MOLB CATOM4507CBILEB 25835.384−35.99139.8271.0043.87MOLB CATOM4508CG1ILEB 25835.200−37.51839.8561.0049.53MOLB CATOM4509CD1ILEB 25834.355−38.05541.0421.0043.17MOLB CATOM4510CG2ILEB 25834.126−35.33439.4131.0046.61MOLB CATOM4511CILEB 25836.821−34.09438.9591.0044.18MOLB CATOM4512OILEB 25837.614−33.64339.7871.0044.25MOLB OATOM4513NGLYB 25936.212−33.33138.0691.0042.97MOLB NATOM4514CAGLYB 25936.388−31.90838.0381.0040.27MOLB CATOM4515CGLYB 25935.017−31.28038.0621.0041.00MOLB CATOM4516OGLYB 25934.050−31.79337.4601.0041.00MOLB OATOM4517NLYSB 26034.932−30.17438.7861.0040.87MOLB NATOM4518CALYSB 26033.712−29.42938.8861.0041.36MOLB CATOM4519CBLYSB 26033.005−29.76940.2001.0041.11MOLB CATOM4520CGLYSB 26031.557−29.33040.2601.0042.32MOLB CATOM4521CDLYSB 26030.913−29.85441.5141.0053.95MOLB CATOM4522CELYSB 26029.561−29.21441.7411.0059.83MOLB CATOM4523NZLYSB 26029.177−29.27043.1891.0060.27MOLB NATOM4524CLYSB 26034.072−27.94838.7771.0041.30MOLB CATOM4525OLYSB 26035.196−27.54439.0561.0042.24MOLB OATOM4526NLEUB 26133.121−27.14538.3361.0040.43MOLB NATOM4527CALEUB 26133.349−25.74238.1631.0040.06MOLB CATOM4528CBLEUB 26133.896−25.44936.7701.0037.56MOLB CATOM4529CGLEUB 26134.022−23.97336.3351.0038.86MOLB CATOM4530CD1LEUB 26135.083−23.18637.0961.0035.22MOLB CATOM4531CD2LEUB 26134.283−23.84934.8301.0042.09MOLB CATOM4532CLEUB 26132.015−25.05738.3651.0042.71MOLB CATOM4533OLEUB 26130.981−25.45637.7701.0043.26MOLB OATOM4534NASNB 26232.034−24.03439.2181.0042.07MOLB NATOM4535CAASNB 26230.822−23.30239.5071.0041.06MOLB CATOM4536CBASNB 26230.457−23.42641.0071.0041.09MOLB CATOM4537CGASNB 26230.231−24.90541.4501.0044.17MOLB CATOM4538OD1ASNB 26230.826−25.38042.4241.0050.35MOLB OATOM4539ND2ASNB 26229.385−25.62540.7201.0047.58MOLB NATOM4540CASNB 26230.896−21.85538.9781.0039.65MOLB CATOM4541OASNB 26231.743−21.00839.3781.0037.89MOLB OATOM4542NLEUB 26330.008−21.58738.0361.0037.01MOLB NATOM4543CALEUB 26329.990−20.28237.4201.0035.58MOLB CATOM4544CBLEUB 26329.885−20.43235.8991.0032.61MOLB CATOM4545CGLEUB 26331.133−21.24635.4751.0032.07MOLB CATOM4546CD1LEUB 26331.263−21.63734.0131.0026.51MOLB CATOM4547CD2LEUB 26332.306−20.46035.8371.002.00MOLB CATOM4548CLEUB 26328.942−19.35938.0751.0037.25MOLB CATOM4549OLEUB 26327.745−19.45937.8161.0037.98MOLB OATOM4550NVALB 26429.417−18.45638.9351.0038.49MOLB NATOM4551CAVALB 26428.503−17.68339.7581.0039.13MOLB CATOM4552CBVALB 26428.831−17.82741.2741.0040.11MOLB CATOM4553CG1VALB 26427.566−17.65142.1021.0037.07MOLB CATOM4554CG2VALB 26429.407−19.18241.5661.0038.90MOLB CATOM4555CVALB 26428.321−16.20539.3521.0039.38MOLB CATOM4556OVALB 26429.192−15.33739.5601.0036.77MOLB OATOM4557NASPB 26527.163−15.96038.7561.0038.33MOLB NATOM4558CAASPB 26526.705−14.64338.4101.0038.54MOLB CATOM4559CBASPB 26525.705−14.75737.2391.0039.37MOLB CATOM4560CGASPB 26525.135−13.40236.7761.0039.46MOLB CATOM4561OD1ASPB 26525.277−12.43237.5441.0042.24MOLB OATOM4562OD2ASPB 26524.552−13.30535.6471.0021.82MOLB OATOM4563CASPB 26526.001−14.22939.6771.0040.91MOLB CATOM4564OASPB 26524.793−14.43039.7971.0043.04MOLB OATOM4565NLEUB 26626.739−13.71940.6631.0041.29MOLB NATOM4566CALEUB 26626.111−13.27741.9061.0041.52MOLB CATOM4567CBLEUB 26627.087−12.52642.7701.0039.53MOLB CATOM4568CGLEUB 26628.300−13.26943.3001.0041.82MOLB CATOM4569CD1LEUB 26629.033−12.29844.2171.0038.99MOLB CATOM4570CD2LEUB 26627.926−14.56844.0381.0034.70MOLB CATOM4571CLEUB 26624.987−12.35841.5041.0043.84MOLB CATOM4572OLEUB 26624.641−12.32040.3451.0046.90MOLB OATOM4573NALAB 26724.413−11.59342.4171.0045.73MOLB NATOM4574CAALAB 26723.322−10.72441.9951.0047.76MOLB CATOM4575CBALAB 26721.990−11.42242.1941.0049.23MOLB CATOM4576CALAB 26723.312−9.38642.6961.0048.03MOLB CATOM4577OALAB 26723.537−9.33143.8811.0048.68MOLB OATOM4578NGLYB 26823.038−8.32941.9371.0048.27MOLB NATOM4579CAGLYB 26822.933−6.95142.4251.0049.09MOLB CATOM4580CGLYB 26823.641−6.50343.6941.0048.95MOLB CATOM4581OGLYB 26823.150−6.74144.8021.0050.29MOLB OATOM4582NSERB 26924.761−5.79843.5561.0047.79MOLB NATOM4583CASERB 26925.448−5.30444.7411.0047.50MOLB CATOM4584CBSERB 26926.961−5.43844.5831.0046.35MOLB CATOM4585OGSERB 26927.390−4.83743.3911.0039.19MOLB OATOM4586CSERB 26925.048−3.86845.0891.0049.66MOLB CATOM4587OSERB 26925.898−3.04145.4141.0052.16MOLB OATOM4588NGLUB 27023.751−3.57445.0361.0051.09MOLB NATOM4589CAGLUB 27023.241−2.22245.3341.0051.46MOLB CATOM4590CBGLUB 27023.215−1.36244.0471.0050.02MOLB CATOM4591CGGLUB 27022.062−1.60743.0391.0042.69MOLB CATOM4592CDGLUB 27022.139−2.95442.2941.0060.05MOLB CATOM4593OE1GLUB 27023.182−3.65242.4021.0063.95MOLB OATOM4594OE2GLUB 27021.152−3.31641.5961.0050.98MOLB OATOM4595CGLUB 27021.848−2.24946.0241.0054.87MOLB CATOM4596OGLUB 27021.713−2.09047.2551.0056.23MOLB OATOM4597NALAB 28515.653−9.28149.2961.0063.72MOLB NATOM4598CAALAB 28516.264−7.98249.5751.0065.75MOLB CATOM4599CBALAB 28515.187−6.88749.7011.0064.37MOLB CATOM4600CALAB 28517.176−8.01350.8211.0067.53MOLB CATOM4601OALAB 28518.410−8.07350.6971.0067.41MOLB OATOM4602NGLYB 28616.584−7.96152.0141.0067.92MOLB NATOM4603CAGLYB 28617.385−8.06853.2241.0069.42MOLB CATOM4604CGLYB 28618.272−9.29553.0641.0070.24MOLB CATOM4605OGLYB 28619.489−9.24853.2701.0069.05MOLB OATOM4606NASNB 28717.641−10.39352.6581.0070.50MOLB NATOM4607CAASNB 28718.326−11.65252.4381.0069.22MOLB CATOM4608CBASNB 28717.320−12.80852.4811.0068.96MOLB CATOM4609CGASNB 28716.146−12.59051.5451.0067.48MOLB CATOM4610OD1ASNB 28714.992−12.62551.9671.0066.14MOLB OATOM4611ND2ASNB 28716.436−12.33750.2721.0054.27MOLB NATOM4612CASNB 28719.173−11.70451.1581.0068.97MOLB CATOM4613OASNB 28719.832−12.70950.9141.0071.72MOLB OATOM4614NILEB 28819.149−10.65950.3301.0067.19MOLB NATOM4615CAILEB 28820.106−10.58149.2131.0065.76MOLB CATOM4616CBILEB 28819.524−9.89147.9211.0066.51MOLB CATOM4617CG1ILEB 28819.387−10.89046.7571.0068.92MOLB CATOM4618CD1ILEB 28818.789−12.26747.0941.0063.25MOLB CATOM4619CG2ILEB 28820.445−8.81847.3911.0064.15MOLB CATOM4620CILEB 28821.384−9.93749.7391.0064.18MOLB CATOM4621OILEB 28822.403−10.60049.9341.0063.54MOLB OATOM4622NASNB 28921.306−8.65450.0361.0063.62MOLB NATOM4623CAASNB 28922.461−7.93350.5611.0064.71MOLB CATOM4624CBASNB 28922.059−6.52051.0391.0064.70MOLB CATOM4625CGASNB 28920.551−6.39351.3661.0072.32MOLB CATOM4626OD1ASNB 28920.050−6.91852.3771.0072.49MOLB OATOM4627ND2ASNB 28919.835−5.66550.5111.0076.47MOLB NATOM4628CASNB 28923.223−8.68651.6461.0063.78MOLB CATOM4629OASNB 28924.377−8.37951.9371.0064.48MOLB OATOM4630NGLNB 29022.585−9.68652.2391.0063.60MOLB NATOM4631CAGLNB 29023.204−10.41653.3501.0062.25MOLB CATOM4632CBGLNB 29022.118−10.97554.3001.0063.49MOLB CATOM4633CGGLNB 29022.525−12.14255.2101.0065.46MOLB CATOM4634CDGLNB 29023.724−11.82656.0791.0072.79MOLB CATOM4635OE1GLNB 29024.141−10.67056.1861.0081.97MOLB OATOM4636NE2GLNB 29024.292−12.85656.7031.0065.57MOLB NATOM4637CGLNB 29024.132−11.50352.8071.0059.35MOLB CATOM4638OGLNB 29025.279−11.66753.2761.0058.12MOLB OATOM4639NSERB 29123.632−12.21851.7991.0053.42MOLB NATOM4640CASERB 29124.386−13.28551.1891.0048.35MOLB CATOM4641CBSERB 29123.725−13.67849.8801.0047.56MOLB CATOM4642OGSERB 29122.340−13.38549.9071.0039.75MOLB OATOM4643CSERB 29125.749−12.73250.8851.0047.92MOLB CATOM4644OSERB 29126.780−13.26451.3051.0043.98MOLB OATOM4645NLEUB 29225.731−11.62250.1561.0049.15MOLB NATOM4646CALEUB 29226.943−11.06749.6321.0050.62MOLB CATOM4647CBLEUB 29226.684−9.79048.8421.0050.96MOLB CATOM4648CGLEUB 29225.841−9.81047.5661.0052.50MOLB CATOM4649CD1LEUB 29225.686−8.37747.0501.0046.36MOLB CATOM4650CD2LEUB 29226.453−10.69246.5061.0051.24MOLB CATOM4651CLEUB 29227.874−10.78750.7811.0051.83MOLB CATOM4652OLEUB 29229.029−11.21250.7621.0055.28MOLB OATOM4653NLEUB 29327.387−10.09451.7991.0049.87MOLB NATOM4654CALEUB 29328.300−9.68952.8481.0048.03MOLB CATOM4655CBLEUB 29327.556−8.91753.9221.0049.93MOLB CATOM4656CGLEUB 29327.282−7.46853.5001.0054.31MOLB CATOM4657CD1LEUB 29328.566−6.76053.0731.0054.31MOLB CATOM4658CD2LEUB 29326.289−7.45052.3771.0060.21MOLB CATOM4659CLEUB 29329.016−10.89253.4261.0046.07MOLB CATOM4660OLEUB 29330.209−10.84053.7381.0043.98MOLB OATOM4661NTHRB 29428.265−11.98353.5151.0045.05MOLB NATOM4662CATHRB 29428.715−13.23254.0861.0045.06MOLB CATOM4663CBTHRB 29427.539−14.24554.0981.0046.49MOLB CATOM4664OG1THRB 29426.482−13.74954.9461.0045.91MOLB OATOM4665CG2THRB 29427.997−15.65254.5481.0040.47MOLB CATOM4666CTHRB 29429.866−13.79153.2671.0046.72MOLB CATOM4667OTHRB 29430.943−14.08653.8011.0046.57MOLB OATOM4668NLEUB 29529.606−13.92351.9651.0046.86MOLB NATOM4669CALEUB 29530.558−14.42850.9811.0044.95MOLB CATOM4670CBLEUB 29529.975−14.26049.5591.0045.85MOLB CATOM4671CGLEUB 29530.931−14.23348.3511.0040.49MOLB CATOM4672CD1LEUB 29531.779−15.46948.3341.0042.76MOLB CATOM4673CD2LEUB 29530.214−14.11747.0181.0042.09MOLB CATOM4674CLEUB 29531.862−13.67951.0881.0045.51MOLB CATOM4675OLEUB 29532.948−14.28051.1421.0044.35MOLB OATOM4676NGLYB 29631.733−12.35851.1001.0045.07MOLB NATOM4677CAGLYB 29632.875−11.48051.1631.0048.05MOLB CATOM4678CGLYB 29633.695−11.79152.3871.0050.31MOLB CATOM4679OGLYB 29634.929−11.82852.3271.0050.90MOLB OATOM4680NARGB 29733.007−12.02953.5011.0051.37MOLB NATOM4681CAARGB 29733.684−12.36154.7481.0051.65MOLB CATOM4682CBARGB 29732.701−12.22455.9111.0051.22MOLB CATOM4683CGARGB 29733.277−11.52357.1671.0056.41MOLB CATOM4684CDARGB 29732.155−11.07758.1301.0056.68MOLB CATOM4685NEARGB 29731.069−12.06858.2201.0068.03MOLB NATOM4686CZARGB 29730.844−12.87059.2611.0064.33MOLB CATOM4687NH1ARGB 29731.612−12.80760.3491.0072.60MOLB NATOM4688NH2ARGB 29729.840−13.73259.2171.0054.14MOLB NATOM4689CARGB 29734.351−13.76354.6631.0049.77MOLB CATOM4690OARGB 29735.452−13.96555.1931.0048.62MOLB OATOM4691NVALB 29833.701−14.69253.9501.0047.23MOLB NATOM4692CAVALB 29834.206−16.05853.6931.0045.84MOLB CATOM4693CBVALB 29833.161−16.87852.8921.0044.76MOLB CATOM4694CG1VALB 29833.642−18.27452.6771.0030.22MOLB CATOM4695CG2VALB 29831.819−16.89253.5951.0047.95MOLB CATOM4696CVALB 29835.530−16.11152.8881.0049.28MOLB CATOM4697OVALB 29836.411−16.96153.1231.0045.83MOLB OATOM4698NILEB 29935.630−15.22951.8961.0051.79MOLB NATOM4699CAILEB 29936.808−15.15651.0631.0053.27MOLB CATOM4700CBILEB 29936.595−14.24649.8311.0054.12MOLB CATOM4701CG1ILEB 29935.265−14.55549.1311.0053.29MOLB CATOM4702CD1ILEB 29935.025−15.98648.9101.0041.54MOLB CATOM4703CG2ILEB 29937.771−14.32448.8701.0049.51MOLB CATOM4704CILEB 29937.876−14.54251.9291.0056.03MOLB CATOM4705OILEB 29938.872−15.18552.2271.0058.45MOLB OATOM4706NTHRB 30037.644−13.30652.3691.0057.68MOLB NATOM4707CATHRB 30038.627−12.58153.1631.0056.97MOLB CATOM4708CBTHRB 30038.032−11.37653.8961.0054.92MOLB CATOM4709OG1THRB 30037.193−10.62853.0091.0052.88MOLB OATOM4710CG2THRB 30039.155−10.48954.3851.0052.94MOLB CATOM4711CTHRB 30039.172−13.54054.1921.0058.51MOLB CATOM4712OTHRB 30040.287−13.38354.6841.0058.29MOLB OATOM4713NALAB 30138.353−14.53854.5071.0059.85MOLB NATOM4714CAALAB 30138.717−15.53855.4801.0060.75MOLB CATOM4715CBALAB 30137.477−16.29355.9511.0061.00MOLB CATOM4716CALAB 30139.692−16.46454.7921.0061.48MOLB CATOM4717OALAB 30140.821−16.66355.2681.0064.10MOLB OATOM4718NLEUB 30239.263−17.02453.6621.0059.43MOLB NATOM4719CALEUB 30240.145−17.86052.8821.0057.50MOLB CATOM4720CBLEUB 30239.482−18.25351.5691.0055.63MOLB CATOM4721CGLEUB 30238.477−19.37151.8541.0054.36MOLB CATOM4722CD1LEUB 30237.167−19.27751.0741.0054.98MOLB CATOM4723CD2LEUB 30239.131−20.69451.6171.0051.91MOLB CATOM4724CLEUB 30241.462−17.10752.6931.0058.00MOLB CATOM4725OLEUB 30242.497−17.53353.1841.0056.77MOLB OATOM4726NVALB 30341.410−15.94752.0601.0059.24MOLB NATOM4727CAVALB 30342.627−15.20051.8051.0061.07MOLB CATOM4728CBVALB 30342.362−13.79351.2961.0061.25MOLB CATOM4729CG1VALB 30343.572−13.30950.4871.0058.40MOLB CATOM4730CG2VALB 30341.085−13.75750.4641.0060.79MOLB CATOM4731CVALB 30343.463−15.05353.0481.0063.16MOLB CATOM4732OVALB 30344.669−15.26752.9951.0063.46MOLB OATOM4733NGLUB 30442.828−14.67354.1571.0066.24MOLB NATOM4734CAGLUB 30443.549−14.42755.4241.0068.63MOLB CATOM4735CBGLUB 30442.833−13.37356.3001.0067.69MOLB CATOM4736CGGLUB 30442.630−12.00755.6201.0068.70MOLB CATOM4737CDGLUB 30443.913−11.46155.0001.0077.56MOLB CATOM4738OE1GLUB 30444.909−11.29855.7401.0081.32MOLB OATOM4739OE2GLUB 30443.936−11.19753.7721.0075.06MOLB OATOM4740CGLUB 30443.866−15.70956.2151.0070.97MOLB CATOM4741OGLUB 30445.014−15.89856.6611.0071.20MOLB OATOM4742NARGB 30542.873−16.59156.3881.0071.84MOLB NATOM4743CAARGB 30543.152−17.82957.0891.0072.79MOLB CATOM4744CBARGB 30544.619−17.76457.4691.0071.93MOLB CATOM4745CGARGB 30545.304−19.01657.8411.0080.90MOLB CATOM4746CDARGB 30546.780−18.74057.5951.00102.40MOLB CATOM4747NEARGB 30547.613−18.89258.7891.00115.90MOLB NATOM4748CZARGB 30548.700−18.15759.0351.00121.37MOLB CATOM4749NH1ARGB 30549.080−17.21558.1731.00118.66MOLB NATOM4750NH2ARGB 30549.405−18.35460.1471.00124.27MOLB NATOM4751CARGB 30542.293−18.06058.3421.0072.47MOLB CATOM4752OARGB 30542.448−19.08159.0011.0070.46MOLB OATOM4753NTHRB 30641.379−17.13358.6491.0074.73MOLB NATOM4754CATHRB 30640.546−17.19059.8901.0077.24MOLB CATOM4755CBTHRB 30639.708−15.89060.1241.0077.31MOLB CATOM4756OG1THRB 306.38.734−15.75059.0881.0083.26MOLB OATOM4757CG2THRB 30640.594−14.64560.1481.0079.12MOLB CATOM4758CTHRB 30639.609−18.40959.9971.0077.73MOLB CATOM4759OTHRB 30638.473−18.38159.4991.0076.74MOLB OATOM4760NPROB 30740.067−19.45760.7141.0077.79MOLB NATOM4761CAPROB 30739.464−20.78060.6901.0076.46MOLB CATOM4762CBPROB 30740.125−21.48261.8761.0076.89MOLB CATOM4763CGPROB 30741.446−20.82961.9931.0076.95MOLB CATOM4764CDPROB 30741.200−19.39561.6621.0078.27MOLB CATOM4765CPROB 30737.941−20.78160.8221.0076.22MOLB CATOM4766OPROB 30737.310−21.81160.5701.0077.74MOLB 0ATOM4767NHISB 30837.340−19.66861.2251.0073.98MOLB NATOM4768CAHISB 30835.889−19.60561.1461.0072.41MOLB CATOM4769CBHISB 30835.252−18.75462.2481.0070.75MOLB CATOM4770CGHISB 30833.754−18.83262.2721.0080.21MOLB CATOM4771ND1HISB 30832.941−17.73262.0761.0096.12MOLB NATOM4772CE1HISB 30831.672−18.10262.1441.00100.94MOLB CATOM4773NE2HISB 30831.629−19.40462.3731.00102.46MOLB NATOM4774CD2HISB 30832.917−19.88662.4521.0095.49MOLB CATOM4775CHISB 30835.569−19.08659.7411.0070.27MOLB CATOM4776OHISB 30835.804−17.92259.4111.0070.53MOLB OATOM4777NVALB 30935.081−19.97758.8941.0066.73MOLB NATOM4778CAVALB 30934.762−19.59557.5441.0063.72MOLB CATOM4779CBVALB 30935.701−20.29756.4671.0063.45MOLB CATOM4780CG1VALB 30937.118−19.74756.5431.0058.55MOLB CATOM4781CG2VALB 30935.770−21.79256.6701.0065.56MOLB CATOM4782CVALB 30933.251−19.77157.3761.0062.02MOLB CATOM4783OVALB 30932.769−20.80256.9301.0062.31MOLB OATOM4784NPROB 31032.497−18.74057.7701.0061.56MOLB NATOM4785CAPROB 31031.032−18.61557.8081.0060.86MOLB CATOM4786CBPROB 31030.822−17.10257.7961.0061.31MOLB CATOM4787CGPROB 31032.029−16.54958.4881.0060.74MOLB CATOM4788CDPROB 31033.167−17.51658.2481.0061.42MOLB CATOM4789CPROB 31030.248−19.24956.6501.0060.05MOLB CATOM4790OPROB 31029.303−18.64456.1351.0059.87MOLB OATOM4791NTYRB 31130.592−20.46456.2591.0059.09MOLB NATOM4792CATYRB 31129.839−21.07155.2001.0061.53MOLB CATOM4793CBTYRB 31130.317−22.48154.9321.0062.62MOLB CATOM4794CGTYRB 31131.676−22.48754.3541.0062.25MOLB CATOM4795CD1TYRB 31132.766−22.71355.1591.0059.97MOLB CATOM4796CE1TYRB 31134.031−22.69954.6571.0066.27MOLB CATOM4797CZTYRB 31134.236−22.43753.3311.0066.50MOLB CATOM4798OHTYRB 31135.535−22.43452.8801.0068.95MOLB OATOM4799CE2TYRB 31133.162−22.19552.4891.0066.44MOLB CATOM4800CD2TYRB 31131.883−22.21553.0081.0061.87MOLB CATOM4801CTYRB 31128.401−21.11855.5991.0063.96MOLB CATOM4802OTYRB 31127.518−20.87654.7761.0063.88MOLB OATOM4803NARGB 31228.182−21.42956.8771.0066.62MOLB NATOM4804CAARGB 31226.847−21.67657.4161.0069.28MOLB CATOM4805CBARGB 31226.925−22.24258.8341.0070.69MOLB CATOM4806CGARGB 31227.124−23.74958.9111.0075.96MOLB CATOM4807CDARGB 31225.900−24.50158.4041.0086.20MOLB CATOM4808NEARGB 31226.025−25.94258.6191.0091.60MOLB NATOM4809CZARGB 31226.618−26.78757.7741.0099.88MOLB CATOM4810NH1ARGB 31227.154−26.34956.6361.00101.44MOLB NATOM4811NH2ARGB 31226.679−28.07958.0721.00103.43MOLB NATOM4812CARGB 31225.915−20.47357.3921.0069.79MOLB CATOM4813OARGB 31224.691−20.64557.3271.0071.58MOLB OATOM4814NGLUB 31326.482−19.26657.4311.0068.76MOLB NATOM4815CAGLUB 31325.674−18.03857.4031.0067.10MOLB CATOM4816CBGLUB 31326.486−16.85157.9531.0066.61MOLB CATOM4817CGGLUB 31326.903−16.96459.4161.0062.05MOLB CATOM4818CDGLUB 31328.041−16.01459.7641.0065.19MOLB CATOM4819OE1GLUB 31328.144−14.96259.1011.0070.14MOLB OATOM4820OE2GLUB 31328.838−16.30960.6871.0044.94MOLB OATOM4821CGLUB 31325.083−17.69056.0151.0067.03MOLB CATOM4822OGLUB 31325.131−16.53555.6081.0069.13MOLB OATOM4823NSERB 31424.538−18.67555.2901.0065.81MOLB NATOM4824CASERB 31423.844−18.42853.9931.0064.12MOLB CATOM4825CBSERB 31424.440−17.21953.2531.0064.73MOLB CATOM4826OGSERB 31425.810−17.42452.9491.0064.54MOLB OATOM4827CSERB 31423.771−19.63953.0421.0061.66MOLB CATOM4828OSERB 31424.744−20.36552.8431.0060.18MOLB OATOM4829NLYSB 31522.620−19.84652.4301.0059.43MOLB NATOM4830CALYSB 31522.511−20.98851.5631.0059.26MOLB CATOM4831CBLYSB 31521.145−21.04050.8981.0060.24MOLB CATOM4832CGLYSB 31519.969−21.31151.8251.0060.49MOLB CATOM4833CDLYSB 31518.748−21.80351.0231.0059.59MOLB CATOM4834CELYSB 31517.447−21.66751.8111.0052.27MOLB CATOM4835NZLYSB 31517.650−22.02453.2491.0066.11MOLB NATOM4836CLYSB 31523.600−20.90350.5031.0059.83MOLB CATOM4837OLYSB 31524.154−21.92050.0841.0062.75MOLB OATOM4838NLEUB 31623.901−19.67950.0751.0057.78MOLB NATOM4839CALEUB 31624.930−19.42449.0681.0052.96MOLB CATOM4840CBLEUB 31625.141−17.91648.8901.0051.76MOLB CATOM4841CGLEUB 31626.044−17.55747.7101.0043.52MOLB CATOM4842CD1LEUB 31625.290−17.83546.4161.0038.66MOLB CATOM4843CD2LEUB 31626.490−16.12447.7481.0037.79MOLB CATOM4844CLEUB 31626.258−20.08449.4241.0052.25MOLB CATOM4845OLEUB 31626.635−21.08648.8411.0049.91MOLB OATOM4846NTHRB 31726.974−19.50750.3831.0053.94MOLB NATOM4847CATHRB 31728.238−20.08650.8191.0054.84MOLB CATOM4848CBTHRB 31728.741−19.43852.1071.0054.31MOLB CATOM4849OG1THRB 31727.640−18.81352.7701.0055.23MOLB OATOM4850CG2THRB 31729.798−18.40851.8001.0052.04MOLB CATOM4851CTHRB 31728.126−21.58151.0701.0056.52MOLB CATOM4852OTHRB 31728.978−22.35350.6431.0054.90MOLB OATOM4853NARGB 31827.073−21.98151.7751.0059.43MOLB NATOM4854CAARGB 31826.896−23.38252.1291.0062.73MOLB CATOM4855CBARGB 31825.606−23.61052.9301.0063.68MOLB CATOM4856CGARGB 31825.437−25.05853.4571.0071.17MOLB CATOM4857CDARGB 31824.291−25.15654.4771.0071.67MOLB CATOM4858NEARGB 31823.666−26.48054.5101.0099.98MOLB NATOM4859CZARGB 31822.598−26.78455.2451.00106.95MOLB CATOM4860NH1ARGB 31822.040−25.85756.0181.00108.52MOLB NATOM4861NH2ARGB 31822.087−28.01255.2091.00110.65MOLB NATOM4862CARGB 31826.924−24.25450.8861.0058.66MOLB CATOM4863OARGB 31827.548−25.33050.8821.0059.16MOLB OATOM4864NILEB 31926.263−23.78849.8351.0053.90MOLB NATOM4865CAILEB 31926.270−24.53148.5961.0051.44MOLB CATOM4866CBILEB 31925.236−24.00647.6201.0049.97MOLB CATOM4867CG1ILEB 31923.848−24.23748.1991.0047.18MOLB CATOM4868CD1ILEB 31922.736−24.14047.1581.0056.58MOLB CATOM4869CG2ILEB 31925.384−24.67646.2391.0044.75MOLB CATOM4870CILEB 31927.662−24.62447.9321.0053.25MOLB CATOM4871OILEB 31927.994−25.66047.3341.0054.78MOLB OATOM4872NLEUB 32028.478−23.57248.0411.0051.77MOLB NATOM4873CALEUB 32029.780−23.57647.3551.0051.71MOLB CATOM4874CBLEUB 32030.175−22.17346.9121.0049.66MOLB CATOM4875CGLEUB 32029.029−21.45046.2061.0051.29MOLB CATOM4876CD1LEUB 32029.355−19.99645.9281.0054.63MOLB CATOM4877CD2LEUB 32028.646−22.16944.9241.0041.50MOLB CATOM4878CLEUB 32030.864−24.14848.2321.0053.95MOLB CATOM4879OLEUB 32031.997−24.31947.7911.0054.76MOLB OATOM4880NGLNB 32130.510−24.43049.4811.0056.68MOLB NATOM4881CAGLNB 32131.445−24.95650.4591.0058.89MOLB CATOM4882CBGLNB 32130.704−25.82151.4691.0058.48MOLB CATOM4883CGGLNB 32130.156−25.06852.6371.0061.16MOLB CATOM4884CDGLNB 32130.341−25.83053.9321.0065.95MOLB CATOM4885OE1GLNB 32129.364−26.27454.5501.0079.40MOLB OATOM4886NE2GLNB 32131.601−26.00554.3441.0051.23MOLB NATOM4887CGLNB 32132.483−25.81649.7861.0061.28MOLB CATOM4888OGLNB 32133.690−25.53949.8091.0059.77MOLB OATOM4889NASPB 32231.962−26.88149.1981.0065.05MOLB NATOM4890CAASPB 32232.734−27.86448.5251.0067.70MOLB CATOM4891CBASPB 32231.772−28.73147.7181.0068.02MOLB CATOM4892CGASPB 32232.150−30.18947.7431.0074.15MOLB CATOM4893OD1ASPB 32231.293−31.02147.3721.0078.70MOLB OATOM4894OD2ASPB 32233.295−30.50248.1531.0080.64MOLB OATOM4895CASPB 32233.706−27.12147.6231.0069.31MOLB CATOM4896OASPB 32234.906−27.04147.9071.0070.41MOLB OATOM4897NSERB 32333.158−26.54046.5561.0071.44MOLB NATOM4898CASERB 32333.917−25.81345.5191.0072.13MOLB CATOM4899CBSERB 32332.923−25.32444.4431.0071.81MOLB CATOM4900OGSERB 32333.578−24.72043.3371.0073.31MOLB OATOM4901CSERB 32334.822−24.64146.0091.0071.08MOLB CATOM4902OSERB 32335.383−23.89545.1941.0070.64MOLB OATOM4903NLEUB 32434.987−24.49647.3231.0070.35MOLB NATOM4904CALEUB 32435.684−23.32647.8741.0068.33MOLB CATOM4905CBLEUB 32434.727−22.49048.7171.0066.18MOLB CATOM4906CGLEUB 32434.107−21.40847.8481.0062.98MOLB CATOM4907CD1LEUB 32432.989−20.63748.5571.0048.25MOLB CATOM4908CD2LEUB 32435.225−20.48547.3721.0051.33MOLB CATOM4909CLEUB 32436.982−23.54348.6381.0068.90MOLB CATOM4910OLEUB 32438.066−23.25948.1161.0069.05MOLB OATOM4911NGLYB 32536.869−24.04249.8681.0069.28MOLB NATOM4912CAGLYB 32538.022−24.14450.7591.0070.75MOLB CATOM4913CGLYB 32538.862−25.41950.8121.0072.65MOLB CATOM4914OGLYB 32539.220−25.87751.9051.0072.82MOLB OATOM4915NGLYB 32639.191−25.99949.6571.0072.33MOLB NATOM4916CAGLYB 32640.158−27.10449.6231.0071.76MOLB CATOM4917CGLYB 32641.459−26.56649.0401.0071.35MOLB CATOM4918OGLYB 32641.832−25.41249.2871.0069.80MOLB OATOM4919NARGB 32742.180−27.39748.2891.0071.28MOLB NATOM4920CAARGB 32743.211−26.84147.4061.0070.41MOLB CATOM4921CBARGB 32744.512−27.65947.3491.0070.25MOLB CATOM4922CGARGB 32745.752−26.79847.0111.0073.64MOLB CATOM4923CDARGB 32746.214−26.87945.5341.0079.64MOLB CATOM4924NEARGB 32745.261−26.33244.5661.0083.78MOLB NATOM4925CZARGB 32745.382−25.15243.9601.0087.63MOLB CATOM4926NH1ARGB 32744.455−24.75743.0961.0087.66MOLB NATOM4927NH2ARGB 32746.422−24.36544.2091.0086.69MOLB NATOM4928CARGB 32742.483−26.69946.0571.0067.78MOLB CATOM4929OARGB 32742.373−27.63945.2441.0065.99MOLB OATOM4930NTHRB 32841.939−25.49745.8881.0063.14MOLB NATOM4931CATHRB 32841.070−25.17744.8071.0058.11MOLB CATOM4932CBTHRB 32839.664−25.03345.3071.0057.10MOLB CATOM4933OG1THRB 32838.802−24.96644.1831.0056.50MOLB OATOM4934CG2THRB 32839.515−23.74546.1221.0055.90MOLB CATOM4935CTHRB 32841.488−23.82444.3281.0056.92MOLB CATOM4936OTHRB 32842.470−23.27044.8211.0059.13MOLB OATOM4937NARGB 32940.742−23.29043.3661.0053.70MOLB NATOM4938CAARGB 32940.972−21.94342.8731.0047.34MOLB CATOM4939CBARGB 32941.686−21.94141.5381.0046.54MOLB CATOM4940CGARGB 32943.108−22.23341.7131.0046.64MOLB CATOM4941CDARGB 32943.922−21.94340.5091.0050.16MOLB CATOM4942NEARGB 32945.256−22.43940.8041.0065.70MOLB NATOM4943CZARGB 32946.294−22.35139.9871.0077.32MOLB CATOM4944NH1ARGB 32946.155−21.77038.8011.0081.71MOLB NATOM4945NH2ARGB 32947.469−22.84840.3631.0080.67MOLB NATOM4946CARGB 32939.667−21.23842.7461.0045.59MOLB CATOM4947OARGB 32938.617−21.85042.4711.0046.30MOLB OATOM4948NTHRB 33039.752−19.93042.9091.0041.77MOLB NATOM4949CATHRB 33038.583−19.11743.0091.0040.70MOLB CATOM4950CBTHRB 33038.108−19.14844.4711.0042.71MOLB CATOM4951OG1THRB 33037.541−20.44144.7471.0049.75MOLB OATOM4952CG2THRB 33037.088−18.05644.7691.0046.81MOLB CATOM4953CTHRB 33038.934−17.72142.5711.0037.28MOLB CATOM4954OTHRB 33039.981−17.17142.9341.0037.40MOLB OATOM4955NSERB 33138.079−17.13641.7601.0033.74MOLB NATOM4956CASERB 33138.353−15.79141.3651.0032.60MOLB CATOM4957CBSERB 33138.993−15.77139.9981.0034.24MOLB CATOM4958OGSERB 33138.011−16.07539.0351.0041.16MOLB OATOM4959CSERB 33137.065−15.04041.3141.0031.04MOLB CATOM4960OSERB 33136.021−15.60441.0281.0026.90MOLB OATOM4961NILEB 33237.141−13.75341.6171.0033.19MOLB NATOM4962CAILEB 33235.990−12.91041.4531.0032.67MOLB CATOM4963CBILEB 33235.629−12.11042.6841.0032.55MOLB CATOM4964CG1ILEB 33235.959−12.83643.9811.0033.79MOLB CATOM4965CD1ILEB 33235.422−12.05545.2081.0026.39MOLB CATOM4966CG2ILEB 33234.165−11.78242.6401.0034.95MOLB CATOM4967CILEB 33236.313−11.88740.4131.0033.15MOLB CATOM4968OILEB 33237.371−11.23340.4331.0035.19MOLB OATOM4969NILEB 33335.392−11.74639.4911.0031.59MOLB NATOM4970CAILEB 33335.494−10.69438.5381.0032.04MOLB CATOM4971CBILEB 33334.967−11.18837.1871.0032.70MOLB CATOM4972CG1ILEB 33335.728−12.44436.7411.0033.38MOLB CATOM4973CD1ILEB 33335.346−12.99335.3411.0029.04MOLB CATOM4974CG2ILEB 33335.096−10.12036.1601.0036.05MOLB CATOM4975CILEB 33334.628−9.56339.0911.0031.26MOLB CATOM4976OILEB 33333.398−9.62039.0061.0032.98MOLB OATOM4977NALAB 33435.246−8.57439.7211.0029.61MOLB NATOM4978CAALAB 33434.491−7.38540.1711.0029.39MOLB CATOM4979CBALAB 33435.259−6.60641.1991.0026.13MOLB CATOM4980CALAB 33434.275−6.50938.9761.0029.52MOLB CATOM4981OALAB 33435.282−6.01338.4111.0032.61MOLB OATOM4982NTHRB 33533.005−6.28838.6031.0026.43MOLB NATOM4983CATHRB 33532.658−5.46837.4131.0027.19MOLB CATOM4984CBTHRB 33531.424−6.01336.6911.0028.59MOLB CATOM4985OG1THRB 33530.268−5.85337.5401.0029.16MOLB OATOM4986CG2THRB 33531.613−7.50036.2611.0017.08MOLB CATOM4987CTHRB 33532.254−4.04737.7471.0030.28MOLB CATOM4988OTHRB 33531.591−3.82438.7591.0033.53MOLB OATOM4989NILEB 33632.584−3.07836.8941.0031.54MOLB NATOM4990CAILEB 33632.101−1.67537.1141.0030.58MOLB CATOM4991CBILEB 33633.157−0.82937.7971.0027.50MOLB CATOM4992CG1ILEB 33634.499−1.00637.0801.0037.03MOLB CATOM4993CD1ILEB 33635.698−0.43637.8091.0026.47MOLB CATOM4994CG2ILEB 33633.271−1.22439.1921.0026.13MOLB CATOM4995CILEB 33631.716−0.87035.8771.0030.77MOLB CATOM4996OILEB 33632.136−1.19834.7681.0033.80MOLB OATOM4997NSERB 33730.932−0.19636.0811.0030.75MOLB NATOM4998CASERB 33730.712−1.23535.0461.0029.66MOLB CATOM4999CBSERB 33729.353−1.90435.2281.0027.14MOLB CATOM5000OGSERB 33729.429−3.32235.0751.0031.71MOLB OATOM5001CSERB 33731.863−2.27435.0761.0029.01MOLB CATOM5002OSERB 33732.492−2.45736.1161.0031.75MOLB OATOM5003NPROB 33832.168−2.94333.9471.0026.46MOLB NATOM5004CAPROB 33833.297−3.82834.1241.0025.55MOLB CATOM5005CBPROB 33834.0423.68632.7901.0023.88MOLB CATOM5006CGPROB 33833.0033.21131.7981.0024.13MOLB CATOM5007CDPROB 33831.7072.96932.5561.0024.88MOLB CATOM5008CPROB 33832.9275.28634.3491.0025.28MOLB CATOM5009OPROB 33833.8076.13534.1611.0023.65MOLB OATOM5010NALAB 33931.6995.55734.8381.0025.67MOLB NATOM5011CAALAB 33931.0766.89534.7601.0025.49MOLB CATOM5012CBALAB 33929.8656.74633.9251.0022.75MOLB CATOM5013CALAB 33930.6777.65436.0411.0028.63MOLB CATOM5014OALAB 33930.4497.04937.0601.0031.46MOLB OATOM5015NSERB 34030.5578.98535.9601.0031.96MOLB NATOM5016CASERB 34029.8309.84436.9621.0035.53MOLB CATOM5017CBSERB 34029.42311.24836.3681.0041.32MOLB CATOM5018OGSERB 34028.26211.88837.0151.0033.38MOLB OATOM5019CSERB 34028.5669.32137.6501.0036.16MOLB CATOM5020OSERB 34028.4309.49538.8461.0035.80MOLB OATOM5021NLEUB 34127.5938.79436.9221.0036.59MOLB NATOM5022CALEUB 34126.3488.40237.6221.0039.85MOLB CATOM5023CBLEUB 34125.3147.81636.6821.0038.02MOLB CATOM5024CGLEUB 34124.4228.73135.8891.0036.73MOLB CATOM5025CD1LEUB 34125.1739.15434.6691.0039.74MOLB CATOM5026CD2LEUB 34123.1787.95435.4941.0041.23MOLB CATOM5027CLEUB 34126.5487.36438.7041.0042.05MOLB CATOM5028OLEUB 34125.8087.31439.6961.0044.81MOLB OATOM5029NASNB 34227.5546.53138.5131.0043.57MOLB NATOM5030CAASNB 34227.6785.34339.3211.0045.79MOLB CATOM5031CBASNB 34227.5544.13038.4251.0043.05MOLB CATOM5032CGASNB 34226.3074.18037.6101.0045.85MOLB CATOM5033OD1ASNB 34226.3073.84536.4301.0050.27MOLB OATOM5034ND2ASNB 34225.2304.65938.2211.0040.03MOLB NATOM5035CASNB 34228.9495.28940.1111.0048.01MOLB CATOM5036OASNB 34229.4824.20240.3771.0050.70MOLB OATOM5037NLEUB 34329.4296.46740.4921.0046.93MOLB NATOM5038CALEUB 34330.6046.55641.3391.0046.29MOLB CATOM5039CBLEUB 34331.1707.96841.2691.0045.64MOLB CATOM5040CGLEUB 34331.9098.79442.3061.0042.72MOLB CATOM5041CD1LEUB 34332.0748.12643.6241.0041.80MOLB CATOM5042CD2LEUB 34333.2349.19741.6881.0042.35MOLB CATOM5043CLEUB 34330.1826.11642.7151.0045.62MOLB CATOM5044OLEUB 34330.9555.55543.4631.0044.39MOLB OATOM5045NGLUB 34428.9136.34043.0101.0049.32MOLB NATOM5046CAGLUB 34428.2945.81744.2231.0051.17MOLB CATOM5047CBGLUB 34426.7485.79644.0641.0053.60MOLB CATOM5048CGGLUB 34425.9117.04844.3611.0057.99MOLB CATOM5049CDGLUB 34426.6298.34644.0821.0062.48MOLB CATOM5050OE1GLUB 34426.4178.93843.0031.0071.07MOLB OATOM5051OE2GLUB 34427.3998.77744.9571.0056.55MOLB OATOM5052CGLUB 34428.7174.36044.3771.0047.67MOLB CATOM5053OGLUB 34429.4743.99045.2651.0043.31MOLB OATOM5054NGLUB 34528.2143.56943.4411.0046.51MOLB NATOM5055CAGLUB 34528.1672.13443.5431.0048.54MOLB CATOM5056CBGLUB 34527.0371.63542.6281.0048.80MOLB CATOM5057CGGLUB 34526.1730.47543.1581.0060.64MOLB CATOM5058CDGLUB 34525.9500.47544.6841.0077.23MOLB CATOM5059OE1GLUB 34524.7780.37245.1211.0077.18MOLB OATOM5060OE2GLUB 34526.9490.54545.4451.0082.42MOLB OATOM5061CGLUB 34529.5081.48743.2101.0047.17MOLB CATOM5062OGLUB 34529.9000.49443.8501.0045.75MOLB OATOM5063NTHRB 34630.2082.06442.2251.0045.23MOLB NATOM5064CATHRB 34631.5261.56941.8301.0042.20MOLB CATOM5065CBTHRB 34632.2452.48240.8391.0041.06MOLB CATOM5066OG1THRB 34631.6962.30939.5221.0043.02MOLB OATOM5067CG2THRB 34633.6722.09940.1931.0022.56MOLB CATOM5068CTHRB 34632.4231.44143.0461.0043.91MOLB CATOM5069OTHRB 34632.9730.37243.3191.0046.70MOLB OATOM5070NLEUB 34732.5642.52743.7871.0041.50MOLB NATOM5071CALEUB 34733.4192.49744.9511.0040.71MOLB CATOM5072CBLEUB 34733.4233.84445.6791.0039.74MOLB CATOM5073CGLEUB 34734.4804.72644.9961.0044.29MOLB CATOM5074CD1LEUB 34734.0495.11643.5841.0047.31MOLB CATOM5075CD2LEUB 34734.8215.95745.8051.0044.79MOLB CATOM5076CLEUB 34733.0431.35245.8581.0039.80MOLB CATOM5077OLEUB 34733.8830.55546.2161.0041.67MOLB OATOM5078NSERB 34831.7711.24346.2001.0039.45MOLB NATOM5079CASERB 34831.3110.16847.0671.0037.83MOLB CATOM5080CBSERB 34829.7890.32347.2481.0035.96MOLB CATOM5081OGSERB 34829.041−0.85447.0031.0041.39MOLB OATOM5082CSERB 34831.762−1.18846.4751.0037.53MOLB CATOM5083OSERB 34832.406−2.02747.1411.0036.47MOLB OATOM5084NTHRB 34931.467−1.36645.1941.0034.75MOLB NATOM5085CATHRB 34931.870−2.55844.4961.0031.42MOLB CATOM5086CBTHRB 34931.516−2.41943.0221.0030.21MOLB CATOM5087OG1THRB 34930.107−2.60942.8391.0040.70MOLB OATOM5088CG2THRB 34932.210−3.42242.2491.008.00MOLB CATOM5089CTHRB 34933.375−2.82444.6651.0033.62MOLB CATOM5090OTHRB 34933.792−3.96944.7741.0034.61MOLB OATOM5091NLEUB 35034.177−1.76044.6771.0034.01MOLB NATOM5092CALEUB 35035.628−1.85844.6801.0035.63MOLB CATOM5093CBLEUB 35036.219−0.54944.2011.0033.07MOLB CATOM5094CGLEUB 35036.207−0.42442.7101.0031.26MOLB CATOM5095CD1LEUB 35036.9090.86542.2831.0028.77MOLB CATOM5096CD2LEUB 35036.923−1.64742.2141.0027.19MOLB CATOM5097CLEUB 35036.170−2.11946.0691.0040.60MOLB CATOM5098OLEUB 35037.086−2.92546.2731.0043.51MOLB OATOM5099NGLUB 35135.638−1.35947.0161.0043.47MOLB NATOM5100CAGLUB 35135.952−1.49448.4221.0044.15MOLB CATOM5101CBGLUB 35135.039−0.56449.2391.0045.06MOLB CATOM5102CGGLUB 35135.2450.90048.9651.0039.30MOLB CATOM5103CDGLUB 35136.5121.42649.6161.0051.46MOLB CATOM5104OE1GLUB 35136.5782.65449.8621.0072.83MOLB OATOM5105OE2GLUB 35137.4370.63049.8991.0042.91MOLB OATOM5106CGLUB 35135.667−2.93848.7871.0044.62MOLB CATOM5107OGLUB 35136.473−3.60349.4571.0045.71MOLB OATOM5108NTYRB 35234.507−3.39848.3161.0044.28MOLB NATOM5109CATYRB 35234.044−4.73348.5541.0045.06MOLB CATOM5110CBTYRB 35232.797−4.98647.7471.0045.20MOLB CATOM5111CGTYRB 35232.374−6.39847.9151.0048.41MOLB CATOM5112CD1TYRB 35233.009−7.41247.2191.0054.47MOLB CATOM5113CE1TYRB 35232.646−8.74447.3901.0056.97MOLB CATOM5114CZTYRB 35231.653−9.05948.2741.0054.29MOLB CATOM5115OHTYRB 35231.280−10.36748.4361.0049.62MOLB OATOM5116CE2TYRB 35231.024−8.06249.0061.0065.16MOLB CATOM5117CD2TYRB 35231.391−6.74148.8311.0055.67MOLB CATOM5118CTYRB 35235.097−5.75648.1531.0046.03MOLB CATOM5119OTYRB 35235.422−6.67848.9041.0047.81MOLB OATOM5120NALAB 35335.625−5.58946.9531.0045.49MOLB NATOM5121CAALAB 35336.673−6.44946.4761.0046.56MOLB CATOM5122CBALAB 35336.893−6.18745.0281.0046.70MOLB CATOM5123CALAB 35337.984−6.26147.2631.0048.74MOLB CATOM5124OALAB 35338.783−7.19247.3831.0049.22MOLB OATOM5125NHISB 35438.210−5.05947.7831.0049.44MOLB NATOM5126CAHISB 35439.438−4.76848.5071.0050.72MOLB CATOM5127CBHISB 35439.618−3.28148.6571.0050.88MOLB CATOM5128CGHISB 35440.984−2.90849.1141.0052.09MOLB CATOM5129ND1HISB 35442.095−3.05948.3141.0055.29MOLB NATOM5130CE1HISB 35443.165−2.64648.9681.0053.98MOLB CATOM5131NE2HISB 35442.787−2.24850.1701.0048.61MOLB NATOM5132CD2HISB 35441.427−2.40250.2861.0050.50MOLB CATOM5133CHISB 35439.371−5.37849.8891.0051.82MOLB CATOM5134OHISB 35440.377−5.59950.5551.0049.33MOLB OATOM5135NARGB 35538.150−5.61650.3311.0052.90MOLB NATOM5136CAARGB 35537.936−6.30251.5741.0053.40MOLB CATOM5137CBARGB 35536.477−6.09851.9921.0054.89MOLB CATOM5138CGARGB 35536.038−6.69153.3141.0052.64MOLB CATOM5139CDARGB 35535.082−5.73854.0281.0044.91MOLB CATOM5140NEARGB 35534.484−4.71253.1611.0041.47MOLB NATOM5141CZARGB 35533.284−4.79452.5821.0043.10MOLB CATOM5142NH1ARGB 35532.508−5.87452.7491.0035.23MOLB NATOM5143NH2ARGB 35532.852−3.78051.8311.0038.88MOLB NATOM5144CARGB 35538.279−7.74851.2141.0052.85MOLB CATOM5145OARGB 35539.414−8.17851.3951.0051.37MOLB OATOM5146NALAB 35637.315−8.46150.6331.0052.29MOLB NATOM5147CAALAB 35637.531−9.81250.1051.0049.62MOLB CATOM5148CBALAB 35636.883−9.95348.7341.0048.80MOLB CATOM5149CALAB 35638.999−10.22350.0511.0047.36MOLB CATOM5150OALAB 35639.333−11.30250.5351.0047.67MOLB OATOM5151NLYSB 35739.849−9.37049.4661.0044.76MOLB NATOM5152CALYSB 35741.304−9.59749.3531.0043.01MOLB CATOM5153CBLYSB 35741.646−10.47448.1581.0043.73MOLB CATOM5154CGLYSB 35743.136−10.44547.7821.0045.47MOLB CATOM5155CDLYSB 35743.504−11.48246.7251.0038.04MOLB CATOM5156CELYSB 35745.010−11.67946.6441.0050.37MOLB CATOM5157NZLYSB 35745.442−12.67345.5851.0057.29MOLB NATOM5158CLYSB 35742.062−8.28949.2031.0044.43MOLB CATOM5159OLYSB 35742.081−7.66948.1411.0042.50MOLB OATOM5160NASNB 35842.728−7.88050.2681.0046.92MOLB NATOM5161CAASNB 35843.346−6.57650.2651.0047.40MOLB CATOM5162CBASNB 35843.371−5.97451.6681.0048.14MOLB CATOM5163CGASNB 35844.133−4.66051.7051.0050.17MOLB CATOM5164OD1ASNB 35844.549−4.15150.6591.0048.13MOLB OATOM5165ND2ASNB 35844.328−4.10952.8991.0043.83MOLB NATOM5166CASNB 35844.740−6.59649.7191.0047.84MOLB CATOM5167OASNB 35845.654−7.07750.3831.0047.82MOLB OATOM5168NILEB 35944.920−6.06448.5171.0047.93MOLB NATOM5169CAILEB 35946.262−6.02047.9531.0046.77MOLB CATOM5170CBILEB 35946.280−6.41746.4881.0046.55MOLB CATOM5171CG1ILEB 35945.711−7.83046.3311.0041.09MOLB CATOM5172CD1ILEB 35945.753−8.36644.8961.0033.71MOLB CATOM5173CG2ILEB 35947.691−6.26045.9371.0037.83MOLB CATOM5174CILEB 35946.826−4.62648.0891.0048.49MOLB CATOM5175OILEB 35946.224−3.65447.6041.0050.41MOLB OATOM5176NLEUB 36047.983−4.53648.7361.0047.80MOLB NATOM5177CALEUB 36048.616−3.26549.0271.0047.91MOLB CATOM5178CBLEUB 36049.906−3.47749.8151.0046.94MOLB CATOM5179CGLEUB 36049.885−3.90451.2931.0054.92MOLB CATOM5180CD1LEUB 36048.722−3.23652.0321.0065.10MOLB CATOM5181CD2LEUB 36049.844−5.43851.4971.0067.85MOLB CATOM5182CLEUB 36048.971−2.57747.7541.0048.54MOLB CATOM5183OLEUB 36049.604−3.17746.9161.0049.98MOLB OATOM5184NASNB 36148.581−1.31747.6051.0052.22MOLB NATOM5185CAASNB 36149.004−0.52646.4381.0055.81MOLB CATOM5186CBASNB 36148.3520.87446.4171.0055.09MOLB CATOM5187CGASNB 36146.8980.88145.8741.0059.94MOLB CATOM5188OD1ASNB 36146.242−0.16445.7241.0073.20MOLB OATOM5189ND2ASNB 36146.3882.09045.6001.0053.54MOLB NATOM5190CASNB 36150.521−0.37046.4431.0056.89MOLB CATOM5191OASNB 36151.0760.10147.4171.0054.66MOLB OATOM5192NLYSB 36251.183−0.79645.3661.0061.86MOLB NATOM5193CALYSB 36252.637−0.62645.2001.0065.51MOLB CATOM5194CBLYSB 36253.079−0.98243.7741.0064.69MOLB CATOM5195CGLYSB 36252.958−2.44043.3311.0067.95MOLB CATOM5196CDLYSB 36252.782−2.45841.7911.0079.52MOLB CATOM5197CELYSB 36253.246−3.75341.1311.0080.48MOLB CATOM5198NZLYSB 36252.295−4.87841.3831.0087.76MOLB NATOM5199CLYSB 36253.0230.83045.4381.0068.21MOLB CATOM5200OLYSB 36252.1611.70945.4271.0067.79MOLB OATOM5201NPROB 36354.3281.09445.6571.0071.61MOLB NATOM5202CAPROB 36354.7922.47745.6791.0071.99MOLB CATOM5203CBPROB 36356.1832.36646.2941.0071.22MOLB CATOM5204CGPROB 36356.6601.00445.8991.0071.09MOLB CATOM5205CDPROB 36355.4300.13545.8921.0072.66MOLB CATOM5206CPROB 36354.8882.93244.2351.0073.09MOLB CATOM5207OPROB 36355.7202.42343.4851.0073.41MOLB OATOM5208NGLUB 36454.0213.85043.8381.0074.15MOLB NATOM5209CAGLUB 36453.9864.28942.4631.0077.22MOLB CATOM5210CBGLUB 36452.9935.41842.3291.0076.72MOLB CATOM5211CGGLUB 36453.2456.51743.3251.0080.63MOLB CATOM5212CDGLUB 36452.8507.86942.7781.0097.30MOLB CATOM5213OE1GLUB 36452.4848.75243.5831.00101.01MOLB OATOM5214OE2GLUB 36452.9018.04741.5371.00100.96MOLB OATOM5215CGLUB 36455.3534.76741.9731.0079.85MOLB CATOM5216OGLUB 36456.3634.07442.1461.0081.35MOLB OATOM5217NVALB 36555.3545.93841.3241.0080.89MOLB NATOM5218CAVALB 36556.5566.67640.8771.0080.42MOLB CATOM5219CBVALB 36557.7365.76240.3281.0080.96MOLB CATOM5220CG1VALB 36557.3435.00339.0501.0077.37MOLB CATOM5221CG2VALB 36559.0416.57640.1281.0080.03MOLB CATOM5222CVALB 36556.0907.72939.8601.0080.91MOLB CATOM5223OVALB 36556.3538.93339.9891.0080.89MOLB OATOM5224OXTVALB 36555.3887.40038.9001.0080.48MOLB OATOM2599MGMGA300117.55815.42933.7631.0039.37COFAMGATOM2600O2AADPA400116.54113.38129.8881.0037.09COFA OATOM2601PAADPA400115.36112.67630.5011.0036.53COFA PATOM2602O1AADPA400114.11213.44330.7821.0041.83COFA OATOM2603O3AADPA400115.76612.01831.9271.0023.99COFA OATOM2604PBADPA400115.76612.87433.2911.0028.78COFA PATOM2605O3BADPA400117.08512.52333.9211.0034.66COFA OATOM2606O2BADPA400115.63914.35532.9611.0035.57COFA OATOM2607O1BADPA400114.60012.36234.0491.0025.36COFA OATOM2608O5*ADPA400115.01311.44029.5221.0038.09COFA OATOM2609C5*ADPA400116.11010.64029.0621.0038.19COFA CATOM2610C4*ADPA400115.89210.07027.6661.0021.34COFA CATOM2611C3*ADPA400115.88211.17226.6311.0023.23COFA CATOM2612O3*ADPA400116.48210.69525.4271.0026.55COFA OATOM2613C2*ADPA400114.39311.43626.4951.0020.15COFA CATOM2614O2*ADPA400113.95712.12425.3101.0034.17COFA OATOM2615C1*ADPA400113.80710.05426.6401.0024.67COFA CATOM2616O4*ADPA400114.5959.47427.6671.0023.81COFA OATOM2617N9ADPA400112.48410.12927.2451.0033.30COFA NATOM2618C4ADPA400111.34010.15526.5881.0025.15COFA CATOM2619C5ADPA400110.29210.24227.6171.0031.74COFA CATOM2620N7ADPA400110.91610.28728.8171.0033.08COFA NATOM2621C8ADPA400112.25010.20028.5711.0029.19COFA CATOM2622N3ADPA400110.99810.11025.2941.0021.72COFA NATOM2623C2ADPA40019.67210.14324.9641.0029.43COFA CATOM2624N1ADPA40018.64110.21425.8321.0019.63COFA NATOM2625C6ADPA40018.88210.26127.1621.0029.55COFA CATOM2626N6ADPA40017.89910.35028.0821.0027.36COFA NATOM5225MGMGB300222.607−9.83634.5081.0023.91COFBMGATOM5226O2AADPB400223.168−7.37231.7761.0038.29MOLB OATOM5227PAADPB400224.642−7.02731.7581.0032.35MOLB PATOM5228O1AADPB400225.764−8.03731.5831.0048.71MOLB OATOM5229O3AADPB400224.926−6.33733.1751.0017.73MOLB OATOM5230PBADPB400224.442−7.22834.3951.0035.86MOLB PATOM5231O3BADPB400222.952−6.93334.4191.0051.22MOLB OATOM5232O2BADPB400224.814−8.60933.8921.0035.53MOLB OATOM5233O1BADPB400225.152−6.75635.6641.0013.25MOLB OATOM5234O5*ADPB400224.870−5.91330.6421.0043.17MOLB OATOM5235C5*ADPB400223.888−4.91330.3611.0041.82MOLB CATOM5236C4*ADPB400224.381−4.24429.0851.0042.98MOLB CATOM5237C3*ADPB400224.301−5.17527.8851.0041.85MOLB CATOM5238O3*ADPB400223.817−4.37826.8041.0044.59MOLB OATOM5239C2*ADPB400225.717−5.62927.5771.0036.47MOLB CATOM5240O2*ADPB400225.924−5.68726.1601.0043.50MOLB OATOM5241C1*ADPB400226.503−4.47028.1251.0027.81MOLB CATOM5242O4*ADPB400225.770−3.94829.2361.0036.44MOLB OATOM5243N9ADPB400227.893−4.73928.5261.0029.77MOLB NATOM5244C4ADPB400228.922−4.66727.6711.0022.14MOLB CATOM5245C5ADPB400230.127−4.95928.4681.0019.70MOLB CATOM5246N7ADPB400229.725−5.14529.7431.0026.67MOLB NATOM5247C8ADPB400228.353−5.02529.7701.0025.47MOLB CATOM5248N3ADPB400229.040−4.43426.3411.0018.65MOLB NATOM5249C2ADPB400230.250−4.41825.7551.0023.48MOLB CATOM5250N1ADPB400231.400−4.65526.4301.0026.40MOLB NATOM5251C6ADPB400231.408−4.94427.7531.0020.09MOLB CATOM5252N6ADPB400232.550−5.19228.4291.0028.46MOLB NATOM5253O13LIGA100116.16020.71121.7191.0065.10LIGA OATOM5254C12LIGA100117.06420.48522.5041.0053.25LIGA CATOM5255C14LIGA100117.58219.07822.6641.0058.39LIGA CATOM5256N31LIGA100118.08118.34323.7011.0059.53LIGA NATOM5257N33LIGA100118.38617.08223.1431.0045.65LIGA NATOM5258C37LIGA100118.93316.04524.0391.0032.46LIGA CATOM5259C35LIGA100118.06717.12621.8731.0043.92LIGA CATOM5260C38LIGA100118.24115.99720.9361.0050.09LIGA CATOM5261C36LIGA100117.57818.31621.5671.0054.47LIGA CATOM5262N11LIGA100117.56721.49823.2031.0046.47LIGA NATOM5263C15LIGA100118.62521.38924.2031.0046.94LIGA CATOM5264C16LIGA100117.92721.35125.5581.0033.87LIGA CATOM5265C17LIGA100117.65119.93526.0241.0027.45LIGA CATOM5266N18LIGA100117.42220.01327.4521.0030.80LIGA NATOM5267C10LIGA100117.01322.84722.9711.0037.95LIGA CATOM5268C19LIGA100118.02423.86922.4531.0033.41LIGA 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1913.569−6.60352.6551.0066.55WATR OATOM5346OHOHw 20−4.35340.22930.9011.0041.11WATR OATOM5347OHOHw 2124.163−10.12536.4031.0045.36WATR OATOM5348OHOHw 2231.830−8.5508.4141.0050.08WATR OATOM5349OHOHw 2313.1857.80043.2221.0048.51WATR OATOM5350OHOHw 2427.984−13.02057.5481.0042.47WATR OATOM5351OHOHw 2516.18515.83235.4371.0041.93WATR OATOM5352OHOHw 2636.501−44.85034.8221.0049.66WATR OATOM5353OHOHw 27−10.2022.18634.9481.0053.52WATR OATOM5354OHOHw 2822.168−16.96149.8521.0050.83WATR OATOM5355OHOHw 2919.47433.79434.9321.0068.49WATR OATOM5356OHOHw 3015.088−6.78235.5491.0045.53WATR OATOM5357OHOHw 3129.919−2.12440.1281.0043.45WATR OATOM5358OHOHw 32−19.77854.14532.1021.0041.67WATR OATOM5359OHOHw 3338.35619.65540.2061.0048.73WATR OATOM5360OHOHw 3413.98236.45917.9901.0054.13WATR OATOM5361OHOHw 3520.471−31.76424.5031.0061.58WATR OATOM5362OHOHw 3613.26727.08716.0891.0057.35WATR OATOM5363OHOHw 372.52020.82419.6901.0066.00WATR OATOM5364OHOHw 388.56410.62131.0391.0047.56WATR OATOM5365OHOHw 3935.667−28.19519.7911.0057.36WATR OATOM5366OHOHw 4027.51012.88826.3021.0053.58WATR OATOM5367OHOHw 4111.2417.58239.3921.0056.48WATR OATOM5368OHOHw 4238.363−28.05345.1521.0068.88WATR OATOM5369OHOHw 4318.854-33.66433.7481.0062.07WATR OATOM5370OHOHw 4438.48016.84339.5621.0058.64WATR OATOM5371OHOHw 4518.2013.08325.9901.0059.43WATR OATOM5372OHOHw 46−6.73125.46644.0531.0061.06WATR OATOM5373OHOHw 4726.0853.74342.5331.0054.72WATR OATOM5374OHOHw 487.25614.80353.4631.0060.29WATR OATOM5375OHOHw 4934.834−10.20723.4011.0066.83WATR OATOM5376OHOHw 5057.422−1.10744.2251.0058.36WATR OATOM5377OHOHw 5117.94315.18031.2901.0040.69WATR OATOM5378OHOHw 5214.10223.32934.8591.0049.29WATR OATOM5379OHOHw 5317.94541.46229.0461.0070.90WATR OATOM5380OHOHw 5424.130−6.31653.6511.0070.17WATR OATOM5381OHOHw 5546.003−20.90731.9231.0061.97WATR OATOM5382OHOHw 5640.435−22.91449.8381.0069.05WATR OATOM5383OHOHw 5741.47119.73339.3061.0056.35WATR OATOM5384OHOHw 5815.1454.93834.5481.0047.05WATR OATOM5385OHOHw 5946.524−6.60334.5681.0060.26WATR OATOM5386OHOHw 6021.0160.92725.8821.0073.65WATR OATOM5387OHOHw 613.02216.30221.5431.0069.14WATR OATOM5388OHOHw 62−4.65638.76843.0411.0068.04WATR OATOM5389OHOHw 63−17.01454.03426.9551.0084.94WATR OATOM5390OHOHw 642.94437.25220.2751.0062.66WATR OATOM5391OHOHw 6518.69322.30548.6281.0061.31WATR OATOM5392OHOHw 6622.264−1.88127.4211.0055.70WATR OATOM5393OHOHw 6740.304−23.51828.2161.0052.15WATR OATOM5394OHOHw 689.60444.63534.6811.0066.25WATR OATOM5395OHOHw 6936.634−19.65623.5901.0057.74WATR OATOM5396OHOHw 7018.947−14.69947.3721.0076.08WATR OATOM5397OHOHw 71−7.36633.80542.3691.0074.51WATR OATOM5398OHOHw 72−7.9174.95333.8481.0088.61WATR OATOM5399OHOHw 7335.919−16.00419.1991.0058.39WATR OATOM5400OHOHw 7440.641−−17.89340.5111.0072.82WATR OATOM5401OHOHw 75−15.21046.68441.3701.0068.96WATR OATOM5402OHOHw 76−0.86710.36747.1131.0061.43WATR OATOM5403OHOHw 7712.27435.63737.4671.0067.34WATR OATOM5404OHOHw 781.69126.32446.8461.0068.30WATR OATOM5405OHOHw 79−0.057−11.15047.9841.0060.92WATR OATOM5406OHOHw 8031.71010.97136.3931.0074.55WATR OATOM5407OHOHw 8121.576−36.57338.6681.0060.12WATR OATOM5408OHOHw 8225.109−22.64855.6901.0074.55WATR OATOM5409OHOHw 8334.970−8.59651.6801.0067.60WATR OATOM5410OHOHw 844.81836.49717.7081.0074.35WATR OATOM5411OHOHw 8515.308−35.59835.5581.0052.09WATR OATOM5412OHOHw 8621.52539.53629.9041.0053.20WATR OATOM5413OHOHw 8744.751−29.90832.9361.0060.47WATR OATOM5414OHOHw 8839.24717.25943.1151.0054.71WATR OATOM5415OHOHw 89−9.26022.85846.1931.0083.21WATR OATOM5416OHOHw 909.541−10.01429.1061.0062.46WATR OATOM5417OHOHw 9117.26523.89211.4091.0060.44WATR OATOM5418OHOHw 9213.958−24.01126.326.1.0064.04WATR OATOM5419OHOHw 9327.18216.48549.0371.0061.35WATR OATOM5420OHOHw 94−8.64045.83032.2801.0052.26WATR OATOM5421OHOHw 9541.761−20.27157.3591.0061.03WATR OATOM5422OHOHw 965.727−27.00243.0681.0073.80WATR OATOM5423OHOHW 9724.225−26.21259.7581.0061.87WATR OATOM5424OHOHw 9845.371−33.83334.8211.0076.42WATR OATOM5425OHOHw 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DIRKSEN","valueNormalised":"Bussiere Dirksen"},"inventorship":null},{"name":{"value":"KNAPP MARK","valueNormalised":"Knapp Mark"},"inventorship":null},{"name":{"value":"LE VINCENT P","valueNormalised":"Le Vincent P"},"inventorship":null},{"name":{"value":"MARTIN ERIC","valueNormalised":"Martin Eric"},"inventorship":null}],"inventorships":[],"unmatchedInventorships":[],"activeUserHasInventorship":false},"simpleFamilyId":131217060,"citesPatentCount":9,"countrySpec":{"countryName":"USA","description":"GRANTED PATENT AS FIRST PUBLICATION [FROM 2001 ONWARDS]","rule":"pubdate:AFTER:01-01-2001","docType":"GRANTED_PATENT"},"pageTitle":"US 7662581 B1 - Eg5 co-crystals","documentTitle":"Eg5 co-crystals"},"claims":{"source":"xml_claims","claims":[{"lines":["A method for identifying an Eg5 binding ligand, the method comprising:\n
(a) generating a three dimensional structure of an Eg5 protein using the atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3 with a Root Mean Square Deviation (RMSD) for all heavy atoms being less than 2.5 Å, wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues;\n
(b) identifying a pharmacophore of a compound capable of binding with the said three dimensional structure of said Eg5 protein wherein said pharmacophore is:\n\n
wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein;\n
(c) designing an Eg5 binding ligand with the based on said pharmacophore;\n
(d) synthesizing said ligand; and\n
(e) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity thereby identifying said Eg5 binding ligand."],"number":1,"annotation":false,"title":false,"claim":true},{"lines":["The method of claim 1 wherein the compound is selected from the group consisting of N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide (1), N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (2), N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide (3), N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide (4), N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide (5), and N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (6)."],"number":2,"annotation":false,"title":false,"claim":true},{"lines":["A method for identifying an Eg5 binding ligand, the method comprising:\n
(a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide wherein said co-crystal complex has unit cell dimensions a=−80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P212121 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues;\n
(b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3;\n
(c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(3-benzyl-4-oxo-4H-pyrido[1,2a]pyrimidin-2-yl)(cyclopropyl)methyl]-4-chlorobenzamide capable of binding with said Eg5 protein wherein said pharmacophore is:\n\n
wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and\n
(d) designing an Eg5 binding ligand based on said pharmacophore;\n
(e) synthesizing said ligand; and\n
(f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity."],"number":3,"annotation":false,"title":false,"claim":true},{"lines":["A method for identifying an Eg5 binding ligand, the method comprising:\n
(a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P212121 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues;\n
(b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3;\n
(c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide capable of binding with said Eg5 protein wherein said pharmacophore is:\n\n
wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and\n
(d) designing an Eg5 binding ligand based on said pharmacophore;\n
(e) synthesizing said ligand; and\n
(f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity."],"number":4,"annotation":false,"title":false,"claim":true},{"lines":["A method for identifying an Eg5 binding ligand, the method comprising:\n
(a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P212121 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues;\n
(b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3;\n
(c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2,2-dimethylpropyl]-1,5-dimethyl-1H-pyrazol-3-carboxamide capable of binding with said Eg5 protein wherein said pharmacophore is:\n\n
wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and\n
(d) designing an Eg5 binding ligand based on said pharmacophore;\n
(e) synthesizing said ligand; and\n
(f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity."],"number":5,"annotation":false,"title":false,"claim":true},{"lines":["A method for identifying an Eg5 binding ligand, the method comprising:\n
(a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P212121 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues;\n
(b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3;\n
(c) identifying a pharmacophore of said N-(3-aminopropyl)-N-{(1R)-1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide capable of binding with said Eg5 protein wherein said pharmacophore is:\n\n
wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and\n
(d) designing an Eg5 binding ligand based on said pharmacophore;\n
(e) synthesizing said ligand; and\n
(f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity."],"number":6,"annotation":false,"title":false,"claim":true},{"lines":["A method for identifying an Eg5 binding ligand, the method comprising:\n
(a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P212121 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues;\n
(b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3;\n
(c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide capable of binding with said Eg5 protein wherein said pharmacophore is:\n\n
wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and\n
(d) designing an Eg5 binding ligand based on said pharmacophore;\n
(e) synthesizing said ligand; and\n
(f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity."],"number":7,"annotation":false,"title":false,"claim":true},{"lines":["A method for identifying an Eg5 binding ligand, the method comprising:\n
(a) crystallizing an X-ray diffraction quality co-crystal complex of an Eg5 protein as set forth in SEQ ID NO: 1 with N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide wherein said co-crystal complex has unit cell dimensions a=80.5 Å, b=94.7 Å, c=107.365 Å, alpha=beta=gamma=90°, and space group P212121 wherein said Eg5 is a kinesin-like motor protein that is localized to a mitotic spindle characterized by a motor domain having about 350 amino acid residues;\n
(b) determining atomic coordinates from said X-ray diffraction quality co-crystal complex of said Eg5 protein with said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide using atomic coordinates as set forth in Table 4 or Table 10 for all of the amino acids listed in Table 3;\n
(c) identifying a pharmacophore of said N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-bromo-1H-benzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide capable of binding with said Eg5 protein wherein said pharmacophore is:\n\n
wherein B is benzyl, A is 3-aminopropyl, and Q is a group having a molecular moiety and wherein said pharmacophore binds at B and Q groups to the three dimensional structure of said Eg5 protein; and\n
(d) designing an Eg5 binding ligand based on said pharmacophore;\n
(e) synthesizing said ligand; and\n
(f) contacting said ligand with said Eg5 protein to determine an ability of said ligand to modify Eg5 activity."],"number":8,"annotation":false,"title":false,"claim":true}]}},"filters":{"npl":[],"notNpl":[],"applicant":[],"notApplicant":[],"inventor":[],"notInventor":[],"owner":[],"notOwner":[],"tags":[],"dates":[],"types":[],"notTypes":[],"j":[],"notJ":[],"fj":[],"notFj":[],"classIpcr":[],"notClassIpcr":[],"classNat":[],"notClassNat":[],"classCpc":[],"notClassCpc":[],"so":[],"notSo":[],"sat":[]},"sequenceFilters":{"s":"SEQIDNO","d":"ASCENDING","p":0,"n":10,"sp":[],"si":[],"len":[],"t":[],"loc":[]}}