FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-10-17
All entries: 77277
Number of unique PDB entries: 32023
FMODB ID: G7ZG1
Calculation Name: 2B5T-I-Xray547
Preferred Name: Antithrombin-III
Target Type: SINGLE PROTEIN
Ligand Name: 2,3,4,6-tetra-o-sulfonato-alpha-d-glucopyranose | 2,3,6-tri-o-sulfonato-beta-d-glucopyranose | 2,3,6-tri-o-sulfo-alpha-d-glucopyranose | methyl 3-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoside | 2,3-di-o-methyl-6-o-sulfonato-alpha-d-glucopyranose | 2,3-di-o-methyl-beta-d-glucopyranuronic acid | 2,3-di-o-methyl-alpha-l-idopyranuronic acid | 2-acetamido-2-deoxy-beta-d-glucopyranose | 2,3,6-tri-o-methyl-beta-d-glucopyranose | 2,3,6-tri-o-methyl-alpha-d-glucopyranose | beta-d-mannopyranose | alpha-d-mannopyranose | alpha-l-fucopyranose | sulfate ion | glycerol
Ligand 3-letter code: GU4 | GU0 | GU6 | GU3 | GU5 | GU1 | GU2 | NAG | GU8 | GU9 | BMA | MAN | FUC | SO4 | GOL
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2B5T
Chain ID: I
ChEMBL ID: CHEMBL1950
UniProt ID: P01008
Base Structure: X-ray
Registration Date: 2025-10-06
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 422 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -8016125.881603 |
|---|---|
| FMO2-HF: Nuclear repulsion | 7844667.457824 |
| FMO2-HF: Total energy | -171458.423779 |
| FMO2-MP2: Total energy | -171953.086962 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(I:6:ASP)
Summations of interaction energy for
fragment #1(I:6:ASP)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -86.862 | -91.983 | 30.105 | -13.261 | -11.721 | 0.116 |
Interaction energy analysis for fragmet #1(I:6:ASP)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | I | 8 | CYS | 0 | -0.014 | 0.002 | 2.326 | -6.981 | -3.701 | 3.771 | -2.932 | -4.119 | 0.021 |
| 4 | I | 9 | THR | 0 | -0.061 | -0.061 | 1.726 | -42.034 | -51.478 | 26.317 | -9.926 | -6.946 | 0.091 |
| 5 | I | 10 | ALA | 0 | 0.018 | 0.035 | 3.604 | -8.902 | -8.112 | 0.020 | -0.374 | -0.437 | 0.004 |
| 6 | I | 11 | LYS | 1 | 0.850 | 0.911 | 5.671 | -0.386 | -0.293 | -0.001 | -0.003 | -0.088 | 0.000 |
| 10 | I | 15 | ILE | 0 | 0.001 | 0.000 | 4.489 | -1.619 | -1.580 | -0.001 | -0.007 | -0.031 | 0.000 |
| 157 | I | 164 | LEU | 0 | -0.058 | -0.030 | 4.042 | -1.612 | -1.491 | -0.001 | -0.019 | -0.100 | 0.000 |
| 7 | I | 12 | PRO | 0 | 0.009 | -0.012 | 9.040 | -1.273 | -1.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | I | 13 | ARG | 1 | 0.941 | 0.972 | 11.069 | 1.233 | 1.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | I | 14 | ASP | -1 | -0.824 | -0.898 | 6.762 | -3.463 | -3.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | I | 16 | PRO | 0 | -0.021 | -0.009 | 9.083 | 0.923 | 0.923 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | I | 17 | MET | 0 | -0.021 | -0.002 | 8.567 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | I | 18 | ASN | 0 | -0.016 | -0.009 | 13.755 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | I | 19 | PRO | 0 | 0.029 | 0.039 | 17.338 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | I | 20 | MET | 0 | -0.005 | 0.007 | 19.593 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | I | 21 | CYS | 0 | -0.048 | -0.029 | 22.651 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | I | 22 | ILE | 0 | -0.023 | 0.005 | 22.279 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | I | 23 | TYR | 0 | 0.054 | 0.012 | 24.542 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | I | 24 | ARG | 1 | 0.747 | 0.837 | 24.121 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | I | 25 | SER | 0 | 0.017 | 0.025 | 29.096 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | I | 26 | PRO | 0 | 0.026 | -0.002 | 30.820 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | I | 27 | GLU | -1 | -0.821 | -0.912 | 34.479 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | I | 28 | LYS | 1 | 0.799 | 0.897 | 36.248 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | I | 29 | LYS | 1 | 0.808 | 0.905 | 30.138 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | I | 30 | ALA | 0 | 0.021 | 0.018 | 29.192 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | I | 31 | THR | 0 | 0.019 | 0.001 | 27.342 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | I | 32 | GLU | -1 | -0.954 | -0.994 | 24.188 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | I | 33 | ASP | -1 | -0.823 | -0.901 | 23.692 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | I | 34 | GLU | -1 | -0.791 | -0.890 | 24.731 | 0.999 | 0.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | I | 35 | GLY | 0 | 0.004 | -0.004 | 27.201 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | I | 36 | SER | 0 | -0.019 | -0.006 | 29.566 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | I | 37 | GLU | -1 | -0.819 | -0.887 | 28.892 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | I | 38 | GLN | 0 | -0.083 | -0.052 | 27.397 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | I | 39 | LYS | 1 | 0.783 | 0.858 | 24.032 | -1.389 | -1.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | I | 40 | ILE | 0 | -0.030 | 0.000 | 18.752 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | I | 41 | PRO | 0 | 0.004 | 0.007 | 19.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | I | 42 | GLU | -1 | -0.779 | -0.879 | 19.344 | 1.844 | 1.844 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | I | 43 | ALA | 0 | -0.038 | -0.026 | 14.887 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | I | 44 | THR | 0 | -0.008 | 0.004 | 14.396 | 0.805 | 0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | I | 45 | ASN | 0 | -0.037 | -0.020 | 12.818 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | I | 46 | ARG | 1 | 1.005 | 0.986 | 14.993 | -1.136 | -1.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | I | 47 | ARG | 1 | 0.885 | 0.948 | 14.873 | -0.892 | -0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | I | 48 | VAL | 0 | -0.012 | -0.008 | 12.174 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | I | 49 | TRP | 0 | 0.051 | 0.022 | 15.515 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | I | 50 | GLU | -1 | -0.701 | -0.807 | 18.893 | 0.759 | 0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | I | 51 | LEU | 0 | -0.016 | 0.003 | 15.772 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | I | 52 | SER | 0 | -0.008 | -0.016 | 18.473 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | I | 53 | LYS | 1 | 0.835 | 0.923 | 20.165 | -1.226 | -1.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | I | 54 | ALA | 0 | -0.023 | -0.008 | 22.336 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | I | 55 | ASN | 0 | 0.044 | 0.024 | 21.126 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | I | 56 | SER | 0 | -0.017 | -0.022 | 23.206 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | I | 57 | ARG | 1 | 0.911 | 0.945 | 25.639 | -0.827 | -0.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | I | 58 | PHE | 0 | -0.017 | 0.015 | 25.508 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | I | 59 | ALA | 0 | -0.021 | -0.014 | 26.210 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | I | 60 | THR | 0 | 0.030 | 0.012 | 28.141 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | I | 61 | THR | 0 | 0.008 | -0.001 | 31.378 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | I | 62 | PHE | 0 | 0.014 | -0.009 | 30.026 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | I | 63 | TYR | 0 | -0.038 | -0.056 | 31.754 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | I | 64 | GLN | 0 | -0.041 | -0.030 | 33.274 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | I | 65 | HIS | 1 | 0.854 | 0.917 | 35.278 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | I | 66 | LEU | 0 | -0.030 | -0.004 | 32.950 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | I | 67 | ALA | 0 | -0.030 | -0.023 | 36.409 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | I | 68 | ASP | -1 | -0.844 | -0.923 | 38.798 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | I | 69 | SER | 0 | -0.068 | -0.027 | 38.744 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | I | 70 | LYS | 1 | 0.842 | 0.926 | 37.579 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | I | 71 | ASN | 0 | 0.067 | 0.043 | 41.756 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | I | 72 | ASP | -1 | -0.881 | -0.947 | 42.720 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | I | 73 | ASN | 0 | -0.049 | -0.050 | 43.597 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | I | 74 | ASP | -1 | -0.870 | -0.924 | 40.178 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | I | 75 | ASN | 0 | 0.002 | -0.011 | 36.714 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | I | 76 | ILE | 0 | -0.007 | 0.006 | 33.714 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | I | 77 | PHE | 0 | 0.006 | -0.001 | 26.940 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | I | 78 | LEU | 0 | 0.068 | 0.029 | 27.457 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | I | 79 | SER | 0 | 0.010 | 0.001 | 22.255 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | I | 80 | PRO | 0 | 0.002 | 0.008 | 24.246 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | I | 81 | LEU | 0 | 0.056 | 0.033 | 17.153 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | I | 82 | SER | 0 | -0.030 | 0.008 | 19.632 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | I | 83 | ILE | 0 | 0.033 | 0.021 | 20.695 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | I | 84 | SER | 0 | 0.019 | -0.012 | 21.119 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | I | 85 | THR | 0 | -0.045 | -0.036 | 15.604 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | I | 86 | ALA | 0 | 0.016 | -0.003 | 18.250 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | I | 87 | PHE | 0 | 0.028 | 0.016 | 19.927 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | I | 88 | ALA | 0 | -0.007 | 0.009 | 18.455 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | I | 89 | MET | 0 | -0.052 | -0.014 | 15.088 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | I | 90 | THR | 0 | -0.026 | -0.007 | 18.268 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | I | 91 | LYS | 1 | 0.932 | 0.977 | 20.458 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | I | 92 | LEU | 0 | -0.038 | -0.020 | 14.916 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | I | 93 | GLY | 0 | 0.012 | -0.012 | 19.054 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | I | 94 | ALA | 0 | 0.009 | 0.021 | 21.626 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | I | 96 | ASN | 0 | 0.018 | -0.005 | 27.803 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | I | 97 | ASP | -1 | -0.800 | -0.902 | 30.664 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | I | 98 | THR | 0 | 0.000 | 0.014 | 28.008 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | I | 99 | LEU | 0 | -0.042 | -0.012 | 24.523 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | I | 100 | GLN | 0 | -0.064 | -0.041 | 27.803 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | I | 101 | GLN | 0 | 0.051 | 0.022 | 30.344 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | I | 102 | LEU | 0 | -0.012 | -0.007 | 24.574 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | I | 103 | MET | 0 | -0.068 | -0.028 | 23.744 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | I | 104 | GLU | -1 | -0.860 | -0.923 | 27.292 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | I | 105 | VAL | 0 | -0.018 | 0.002 | 29.607 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | I | 106 | PHE | 0 | -0.029 | -0.029 | 24.579 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | I | 107 | LYS | 1 | 0.910 | 0.973 | 25.369 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | I | 108 | PHE | 0 | 0.016 | -0.010 | 21.515 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | I | 109 | ASP | -1 | -0.795 | -0.903 | 24.626 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | I | 110 | THR | 0 | -0.079 | -0.038 | 26.228 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | I | 111 | ILE | 0 | -0.039 | 0.006 | 20.776 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | I | 112 | SER | 0 | 0.031 | 0.004 | 21.782 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | I | 113 | GLU | -1 | -0.832 | -0.919 | 22.424 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | I | 114 | LYS | 1 | 0.923 | 0.964 | 15.667 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | I | 115 | THR | 0 | -0.065 | -0.072 | 17.329 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | I | 116 | SER | 0 | 0.045 | 0.039 | 18.780 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | I | 117 | ASP | -1 | -0.822 | -0.902 | 19.964 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | I | 118 | GLN | 0 | -0.070 | -0.055 | 14.549 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | I | 119 | ILE | 0 | 0.023 | 0.026 | 15.160 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | I | 120 | HIS | 0 | 0.091 | 0.049 | 12.419 | 0.643 | 0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | I | 121 | PHE | 0 | 0.032 | 0.009 | 7.727 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | I | 122 | PHE | 0 | -0.039 | -0.035 | 10.792 | 1.010 | 1.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | I | 123 | PHE | 0 | 0.090 | 0.041 | 12.922 | 0.674 | 0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | I | 124 | ALA | 0 | 0.037 | 0.044 | 8.524 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | I | 125 | LYS | 1 | 0.693 | 0.829 | 5.436 | -9.548 | -9.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | I | 126 | LEU | 0 | 0.014 | 0.009 | 9.314 | 0.940 | 0.940 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | I | 127 | ASN | 0 | -0.014 | -0.023 | 11.407 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | I | 129 | ARG | 1 | 0.842 | 0.932 | 8.375 | -3.518 | -3.518 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | I | 130 | LEU | 0 | 0.022 | 0.010 | 11.017 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | I | 131 | TYR | 0 | -0.022 | -0.025 | 10.647 | -0.518 | -0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | I | 132 | ARG | 1 | 0.897 | 0.958 | 9.493 | -7.225 | -7.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | I | 133 | LYS | 0 | -0.046 | 0.041 | 11.270 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | I | 134 | ALA | 0 | 0.025 | 0.001 | 13.270 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | I | 135 | ASN | 0 | 0.058 | 0.036 | 15.267 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | I | 136 | LYS | 1 | 0.960 | 0.982 | 18.261 | -1.864 | -1.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | I | 137 | ALA | 0 | -0.048 | -0.035 | 20.140 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | I | 138 | SER | 0 | 0.026 | -0.041 | 20.640 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | I | 139 | LYS | 1 | 0.812 | 0.910 | 17.544 | -1.608 | -1.608 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | I | 140 | LEU | 0 | 0.032 | 0.040 | 16.083 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | I | 141 | VAL | 0 | -0.021 | -0.009 | 15.921 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | I | 142 | SER | 0 | 0.034 | 0.021 | 15.325 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | I | 143 | ALA | 0 | -0.050 | -0.009 | 16.055 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | I | 144 | ASN | 0 | 0.049 | 0.019 | 15.891 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | I | 145 | ARG | 1 | 0.827 | 0.920 | 16.149 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | I | 146 | LEU | 0 | 0.049 | 0.035 | 18.133 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | I | 147 | PHE | 0 | 0.011 | -0.007 | 20.323 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | I | 148 | GLY | 0 | 0.053 | 0.027 | 23.142 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | I | 149 | ASP | -1 | -0.734 | -0.850 | 25.276 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | I | 150 | LYS | 1 | 0.925 | 0.947 | 26.808 | 0.662 | 0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | I | 151 | SER | 0 | -0.067 | -0.041 | 27.755 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | I | 152 | LEU | 0 | -0.020 | -0.002 | 27.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | I | 153 | THR | 0 | -0.016 | -0.012 | 25.197 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | I | 154 | PHE | 0 | 0.008 | -0.004 | 21.017 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | I | 155 | ASN | 0 | -0.006 | -0.001 | 19.880 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | I | 156 | GLU | -1 | -0.805 | -0.932 | 17.046 | -2.481 | -2.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | I | 157 | THR | 0 | -0.003 | 0.009 | 15.559 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | I | 158 | TYR | 0 | -0.041 | -0.044 | 14.735 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | I | 159 | GLN | 0 | 0.016 | 0.012 | 14.702 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | I | 160 | ASP | -1 | -0.839 | -0.925 | 11.153 | -4.426 | -4.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | I | 161 | ILE | 0 | -0.039 | -0.024 | 9.808 | -1.119 | -1.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | I | 162 | SER | 0 | -0.015 | -0.029 | 10.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | I | 163 | GLU | -1 | -0.922 | -0.964 | 8.629 | -3.722 | -3.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | I | 165 | VAL | 0 | -0.077 | -0.044 | 6.422 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | I | 166 | TYR | 0 | -0.021 | -0.029 | 9.027 | 1.574 | 1.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | I | 167 | GLY | 0 | -0.049 | -0.006 | 8.185 | 0.888 | 0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | I | 168 | ALA | 0 | 0.012 | 0.004 | 9.161 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | I | 169 | LYS | 1 | 0.830 | 0.953 | 12.413 | 3.618 | 3.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | I | 170 | LEU | 0 | 0.009 | 0.021 | 14.651 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | I | 171 | GLN | 0 | -0.030 | -0.022 | 18.145 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | I | 172 | PRO | 0 | 0.009 | 0.003 | 20.515 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | I | 173 | LEU | 0 | -0.059 | -0.023 | 23.678 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | I | 174 | ASP | -1 | -0.833 | -0.915 | 26.652 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | I | 175 | PHE | 0 | -0.018 | -0.010 | 26.770 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | I | 176 | LYS | 1 | 0.891 | 0.969 | 32.309 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | I | 177 | GLU | -1 | -0.874 | -0.941 | 34.823 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | I | 178 | ASN | 0 | -0.110 | -0.064 | 32.768 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | I | 179 | ALA | 0 | 0.052 | 0.046 | 32.935 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | I | 180 | GLU | -1 | -0.726 | -0.875 | 32.532 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | I | 181 | GLN | 0 | -0.034 | -0.007 | 31.089 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | I | 182 | SER | 0 | -0.021 | -0.041 | 28.668 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | I | 183 | ARG | 1 | 0.776 | 0.862 | 27.868 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | I | 184 | ALA | 0 | -0.010 | -0.006 | 28.371 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | I | 185 | ALA | 0 | -0.072 | -0.037 | 25.345 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | I | 186 | ILE | 0 | 0.021 | 0.012 | 23.575 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | I | 187 | ASN | 0 | 0.017 | 0.016 | 23.806 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | I | 188 | LYS | 1 | 0.967 | 0.986 | 24.295 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | I | 189 | TRP | 0 | 0.006 | 0.000 | 15.262 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | I | 190 | VAL | 0 | 0.017 | -0.003 | 20.183 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | I | 191 | SER | 0 | 0.030 | 0.035 | 21.651 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | I | 192 | ASN | 0 | -0.058 | -0.020 | 18.636 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | I | 193 | LYS | 1 | 0.902 | 0.953 | 13.181 | -1.102 | -1.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | I | 194 | THR | 0 | -0.095 | -0.075 | 17.404 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | I | 195 | GLU | -1 | -0.868 | -0.945 | 20.021 | 0.587 | 0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | I | 196 | GLY | 0 | 0.000 | 0.016 | 21.678 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | I | 197 | ARG | 1 | 0.731 | 0.847 | 23.842 | -0.881 | -0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | I | 198 | ILE | 0 | -0.019 | -0.014 | 23.434 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | I | 199 | THR | 0 | 0.021 | 0.003 | 25.347 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | I | 200 | ASP | -1 | -0.845 | -0.921 | 27.883 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | I | 201 | VAL | 0 | -0.050 | -0.016 | 24.403 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | I | 202 | ILE | 0 | -0.011 | 0.007 | 26.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | I | 203 | PRO | 0 | 0.057 | 0.046 | 29.969 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | I | 204 | SER | 0 | 0.003 | -0.021 | 33.608 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | I | 205 | GLU | -1 | -0.941 | -0.974 | 36.271 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | I | 206 | ALA | 0 | -0.065 | -0.016 | 32.992 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | I | 207 | ILE | 0 | -0.064 | -0.029 | 28.665 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | I | 208 | ASN | 0 | 0.021 | 0.003 | 33.286 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | I | 209 | GLU | -1 | -0.818 | -0.923 | 34.859 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | I | 210 | LEU | 0 | -0.044 | -0.017 | 36.463 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | I | 211 | THR | 0 | -0.062 | -0.018 | 30.395 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | I | 212 | VAL | 0 | -0.004 | -0.015 | 29.778 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | I | 213 | LEU | 0 | -0.028 | -0.024 | 23.445 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | I | 214 | VAL | 0 | 0.003 | 0.019 | 25.640 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | I | 215 | LEU | 0 | 0.005 | -0.001 | 21.364 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | I | 216 | VAL | 0 | -0.003 | 0.008 | 21.706 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | I | 217 | ASN | 0 | -0.027 | -0.032 | 20.728 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | I | 218 | THR | 0 | -0.005 | 0.001 | 20.624 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | I | 219 | ILE | 0 | -0.034 | -0.034 | 18.520 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | I | 220 | TYR | 0 | 0.013 | -0.005 | 20.724 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | I | 221 | PHE | 0 | 0.038 | 0.006 | 20.281 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | I | 222 | LYS | 1 | 0.916 | 0.979 | 21.545 | -1.432 | -1.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | I | 223 | GLY | 0 | 0.000 | -0.004 | 22.199 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | I | 224 | LEU | 0 | -0.025 | 0.000 | 24.396 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | I | 225 | TRP | 0 | 0.001 | -0.009 | 27.028 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | I | 226 | LYS | 1 | 0.764 | 0.872 | 28.372 | -1.363 | -1.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | I | 227 | SER | 0 | 0.005 | -0.009 | 29.833 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | I | 228 | LYS | 1 | 0.821 | 0.912 | 31.075 | -0.952 | -0.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | I | 229 | PHE | 0 | 0.016 | 0.019 | 34.730 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | I | 230 | SER | 0 | 0.005 | -0.022 | 37.848 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | I | 231 | PRO | 0 | 0.035 | 0.003 | 38.964 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | I | 232 | GLU | -1 | -0.867 | -0.898 | 41.630 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | I | 233 | ASN | 0 | -0.021 | -0.017 | 43.481 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | I | 234 | THR | 0 | -0.030 | -0.033 | 41.178 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | I | 235 | ARG | 1 | 0.752 | 0.867 | 44.182 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | I | 236 | LYS | 1 | 0.944 | 0.982 | 45.514 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | I | 237 | GLU | -1 | -0.794 | -0.885 | 47.386 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | I | 238 | LEU | 0 | 0.000 | -0.009 | 48.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | I | 239 | PHE | 0 | -0.038 | -0.022 | 42.134 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | I | 240 | TYR | 0 | -0.018 | -0.024 | 47.264 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | I | 241 | LYS | 1 | 0.859 | 0.918 | 46.088 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | I | 242 | ALA | 0 | 0.015 | 0.002 | 45.988 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | I | 243 | ASP | -1 | -0.831 | -0.910 | 48.020 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | I | 244 | GLY | 0 | -0.034 | -0.005 | 50.890 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | I | 245 | GLU | -1 | -0.904 | -0.923 | 51.743 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | I | 246 | SER | 0 | -0.094 | -0.057 | 50.715 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | I | 247 | CYS | 0 | -0.102 | -0.047 | 41.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | I | 248 | SER | 0 | -0.011 | -0.006 | 48.532 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | I | 249 | ALA | 0 | 0.066 | 0.026 | 43.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | I | 250 | SER | 0 | -0.017 | -0.022 | 41.887 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | I | 251 | MET | 0 | -0.021 | 0.013 | 41.786 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | I | 252 | MET | 0 | 0.008 | 0.016 | 36.119 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | I | 253 | TYR | 0 | 0.029 | -0.011 | 41.540 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | I | 254 | GLN | 0 | -0.012 | -0.008 | 35.579 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | I | 255 | GLU | -1 | -0.937 | -0.964 | 41.369 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | I | 256 | GLY | 0 | 0.013 | 0.001 | 38.806 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | I | 257 | LYS | 1 | 0.778 | 0.878 | 36.902 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | I | 258 | PHE | 0 | -0.007 | -0.005 | 33.696 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | I | 259 | ARG | 1 | 0.863 | 0.934 | 30.658 | -1.126 | -1.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | I | 260 | TYR | 0 | -0.006 | -0.040 | 34.896 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | I | 261 | ARG | 1 | 0.874 | 0.933 | 37.678 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | I | 262 | ARG | 1 | 0.826 | 0.928 | 39.435 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | I | 263 | VAL | 0 | 0.070 | 0.035 | 38.584 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | I | 264 | ALA | 0 | 0.045 | 0.015 | 42.007 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | I | 265 | GLU | -1 | -0.874 | -0.936 | 44.318 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | I | 266 | GLY | 0 | -0.004 | 0.000 | 46.351 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | I | 267 | THR | 0 | 0.012 | 0.012 | 40.515 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | I | 268 | GLN | 0 | -0.037 | 0.009 | 41.217 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | I | 269 | VAL | 0 | 0.050 | 0.028 | 34.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | I | 270 | LEU | 0 | -0.020 | -0.008 | 35.740 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | I | 271 | GLU | -1 | -0.750 | -0.840 | 28.395 | 1.310 | 1.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | I | 272 | LEU | 0 | -0.014 | -0.013 | 31.301 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | I | 273 | PRO | 0 | 0.038 | 0.020 | 27.597 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | I | 274 | PHE | 0 | 0.021 | 0.009 | 24.342 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | I | 275 | LYS | 1 | 0.818 | 0.888 | 24.552 | -1.202 | -1.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | I | 276 | GLY | 0 | 0.032 | 0.011 | 21.894 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | I | 277 | ASP | -1 | -0.844 | -0.901 | 22.671 | 1.579 | 1.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | I | 278 | ASP | -1 | -0.765 | -0.873 | 18.397 | 2.741 | 2.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | I | 279 | ILE | 0 | -0.019 | 0.005 | 18.274 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | I | 280 | THR | 0 | -0.079 | -0.055 | 22.440 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | I | 281 | MET | 0 | 0.010 | 0.024 | 26.184 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | I | 282 | VAL | 0 | -0.032 | -0.017 | 28.789 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | I | 283 | LEU | 0 | -0.012 | -0.002 | 31.296 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | I | 284 | ILE | 0 | 0.028 | 0.008 | 33.576 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | I | 285 | LEU | 0 | -0.025 | -0.002 | 37.328 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | I | 286 | PRO | 0 | 0.065 | 0.042 | 40.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | I | 287 | LYS | 1 | 0.857 | 0.929 | 43.857 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | I | 288 | PRO | 0 | 0.011 | -0.011 | 47.416 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | I | 289 | GLU | -1 | -0.779 | -0.877 | 49.769 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | I | 290 | LYS | 1 | 0.672 | 0.811 | 44.058 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | I | 291 | SER | 0 | 0.069 | 0.025 | 46.717 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | I | 292 | LEU | 0 | 0.032 | 0.000 | 39.401 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | I | 293 | ALA | 0 | 0.067 | 0.041 | 42.072 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | I | 294 | LYS | 1 | 0.829 | 0.936 | 43.107 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | I | 295 | VAL | 0 | 0.076 | 0.026 | 38.900 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | I | 296 | GLU | -1 | -0.792 | -0.852 | 38.259 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | I | 297 | LYS | 1 | 0.854 | 0.932 | 38.331 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | I | 298 | GLU | -1 | -0.839 | -0.900 | 40.004 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | I | 299 | LEU | 0 | -0.040 | -0.004 | 33.563 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | I | 300 | THR | 0 | 0.029 | 0.017 | 34.326 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | I | 301 | PRO | 0 | -0.037 | -0.026 | 29.010 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | I | 302 | GLU | -1 | -0.866 | -0.937 | 30.898 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | I | 303 | VAL | 0 | -0.005 | 0.009 | 32.748 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | I | 304 | LEU | 0 | -0.037 | -0.019 | 29.529 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | I | 305 | GLN | 0 | -0.101 | -0.070 | 27.633 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | I | 306 | GLU | -1 | -0.882 | -0.937 | 30.859 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | I | 307 | TRP | 0 | 0.010 | -0.016 | 34.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | I | 308 | LEU | 0 | -0.060 | -0.038 | 28.198 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | I | 309 | ASP | -1 | -0.859 | -0.913 | 30.263 | 1.091 | 1.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | I | 310 | GLU | -1 | -0.901 | -0.962 | 32.660 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | I | 311 | LEU | 0 | -0.120 | -0.029 | 31.819 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | I | 312 | GLU | -1 | -0.861 | -0.923 | 34.733 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | I | 313 | GLU | -1 | -0.876 | -0.930 | 34.843 | 0.901 | 0.901 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | I | 314 | MET | 0 | 0.017 | 0.020 | 37.040 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | I | 315 | MET | 0 | -0.021 | -0.011 | 39.582 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | I | 316 | LEU | 0 | -0.011 | 0.004 | 39.259 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | I | 317 | CYS | 0 | 0.021 | 0.016 | 42.039 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | I | 318 | VAL | 0 | -0.007 | -0.010 | 38.541 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | I | 319 | HIS | 0 | -0.038 | -0.008 | 41.843 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | I | 320 | MET | 0 | 0.029 | 0.003 | 34.640 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | I | 321 | PRO | 0 | -0.003 | 0.019 | 39.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | I | 322 | ARG | 1 | 0.804 | 0.857 | 37.198 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | I | 323 | PHE | 0 | -0.001 | -0.008 | 32.482 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | I | 324 | ARG | 1 | 0.846 | 0.920 | 30.210 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | I | 325 | ILE | 0 | -0.050 | -0.013 | 31.746 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | I | 326 | GLU | -1 | -0.778 | -0.899 | 31.006 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | I | 327 | ASP | -1 | -0.795 | -0.867 | 28.012 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | I | 328 | GLY | 0 | -0.027 | -0.012 | 31.228 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | I | 329 | PHE | 0 | -0.014 | -0.018 | 29.901 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | I | 330 | SER | 0 | 0.009 | -0.017 | 33.182 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | I | 331 | LEU | 0 | -0.003 | -0.027 | 26.618 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | I | 332 | LYS | 1 | 0.888 | 0.959 | 31.214 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | I | 333 | GLU | -1 | -0.786 | -0.870 | 32.498 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | I | 334 | GLN | 0 | -0.038 | -0.002 | 32.861 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | I | 335 | LEU | 0 | 0.002 | -0.004 | 27.930 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | I | 336 | GLN | 0 | -0.005 | -0.001 | 32.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | I | 337 | ASP | -1 | -0.890 | -0.933 | 35.334 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | I | 338 | MET | 0 | -0.078 | -0.022 | 31.622 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | I | 339 | GLY | 0 | 0.013 | 0.010 | 34.991 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | I | 340 | LEU | 0 | -0.066 | -0.028 | 28.135 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | I | 341 | VAL | 0 | 0.021 | -0.009 | 32.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | I | 342 | ASP | -1 | -0.847 | -0.939 | 33.087 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | I | 343 | LEU | 0 | 0.020 | 0.008 | 26.439 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | I | 344 | PHE | 0 | -0.026 | -0.016 | 29.158 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | I | 345 | SER | 0 | 0.000 | 0.002 | 32.747 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | I | 346 | PRO | 0 | -0.013 | -0.026 | 34.280 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | I | 347 | GLU | -1 | -0.916 | -0.951 | 35.655 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | I | 348 | LYS | 1 | 0.910 | 0.963 | 35.489 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | I | 349 | SER | 0 | -0.044 | -0.028 | 29.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | I | 350 | LYS | 1 | 0.869 | 0.927 | 29.781 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | I | 351 | LEU | 0 | 0.005 | -0.004 | 24.480 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | I | 352 | PRO | 0 | 0.050 | 0.017 | 25.335 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | I | 353 | GLY | 0 | -0.011 | -0.004 | 22.144 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | I | 354 | ILE | 0 | -0.062 | -0.017 | 20.699 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | I | 355 | VAL | 0 | 0.017 | 0.001 | 22.238 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | I | 356 | ALA | 0 | -0.007 | 0.004 | 25.472 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | I | 357 | GLU | -1 | -0.972 | -0.993 | 28.327 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | I | 358 | GLY | 0 | 0.008 | 0.004 | 32.140 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | I | 359 | ARG | 1 | 0.770 | 0.884 | 33.111 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | I | 360 | ASP | -1 | -0.773 | -0.886 | 34.366 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | I | 361 | ASP | -1 | -0.851 | -0.902 | 32.135 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | I | 362 | LEU | 0 | -0.024 | -0.009 | 24.809 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | I | 363 | TYR | 0 | 0.015 | 0.037 | 29.269 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | I | 364 | VAL | 0 | -0.010 | -0.021 | 26.227 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | I | 365 | SER | 0 | 0.004 | 0.011 | 28.907 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | I | 366 | ASP | -1 | -0.818 | -0.935 | 29.309 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | I | 367 | ALA | 0 | -0.028 | -0.006 | 26.745 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | I | 368 | PHE | 0 | 0.025 | 0.022 | 26.838 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | I | 369 | HIS | 1 | 0.782 | 0.875 | 25.452 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | I | 370 | LYS | 1 | 0.901 | 0.945 | 25.433 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | I | 371 | ALA | 0 | 0.006 | -0.003 | 24.770 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | I | 372 | PHE | 0 | -0.029 | -0.025 | 26.305 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | I | 373 | LEU | 0 | -0.029 | -0.002 | 27.008 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | I | 374 | GLU | -1 | -0.855 | -0.916 | 29.278 | 0.595 | 0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | I | 375 | VAL | 0 | -0.013 | -0.002 | 30.581 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | I | 376 | ASN | 0 | 0.028 | -0.018 | 32.691 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | I | 377 | GLU | -1 | -0.696 | -0.820 | 34.024 | 0.666 | 0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | I | 378 | GLU | -1 | -0.850 | -0.907 | 31.574 | 0.920 | 0.920 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | I | 379 | GLY | 0 | 0.030 | -0.014 | 29.186 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | I | 380 | SER | 0 | 0.000 | 0.017 | 26.032 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | I | 381 | GLU | -1 | -0.821 | -0.901 | 25.524 | 0.990 | 0.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | I | 382 | ALA | 0 | -0.017 | -0.002 | 27.517 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | I | 383 | ALA | 0 | 0.011 | 0.007 | 29.568 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | I | 384 | ALA | 0 | 0.034 | 0.020 | 32.498 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | I | 385 | SER | 0 | -0.009 | -0.009 | 35.710 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | I | 386 | THR | 0 | 0.066 | 0.023 | 39.379 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | I | 387 | ALA | 0 | -0.018 | 0.009 | 41.072 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | I | 388 | VAL | 0 | -0.014 | -0.006 | 43.594 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | I | 389 | VAL | 0 | 0.018 | 0.015 | 46.010 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | I | 390 | ILE | 0 | 0.010 | 0.001 | 48.520 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | I | 391 | ALA | 0 | 0.038 | 0.021 | 51.205 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | I | 392 | GLY | 0 | 0.008 | 0.006 | 52.059 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | I | 393 | ARG | 1 | 0.811 | 0.886 | 46.651 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | I | 394 | SER | 0 | -0.004 | -0.003 | 50.214 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | I | 395 | LEU | 0 | 0.007 | 0.026 | 47.818 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | I | 396 | ASN | 0 | 0.056 | 0.026 | 51.705 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | I | 397 | PRO | 0 | 0.016 | 0.010 | 52.785 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | I | 398 | ASN | 0 | 0.004 | -0.002 | 54.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | I | 399 | ARG | 1 | 0.833 | 0.917 | 48.414 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | I | 400 | VAL | 0 | 0.017 | 0.003 | 48.156 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | I | 402 | PHE | 0 | 0.081 | 0.036 | 38.473 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | I | 403 | LYS | 1 | 0.864 | 0.928 | 42.629 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | I | 404 | ALA | 0 | 0.033 | 0.020 | 40.416 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | I | 405 | ASN | 0 | -0.004 | -0.016 | 42.423 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | I | 406 | ARG | 1 | 0.898 | 0.953 | 44.076 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | I | 407 | PRO | 0 | -0.009 | -0.005 | 42.012 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | I | 408 | PHE | 0 | -0.024 | 0.001 | 36.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | I | 409 | LEU | 0 | 0.008 | 0.010 | 34.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | I | 410 | VAL | 0 | -0.025 | -0.024 | 30.567 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | I | 411 | PHE | 0 | 0.035 | 0.013 | 28.216 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | I | 412 | ILE | 0 | -0.008 | -0.006 | 23.468 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | I | 413 | ARG | 1 | 0.829 | 0.901 | 23.225 | -1.411 | -1.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | I | 414 | GLU | -1 | -0.841 | -0.928 | 16.771 | 3.171 | 3.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | I | 415 | VAL | 0 | -0.028 | 0.015 | 20.763 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | I | 416 | PRO | 0 | -0.002 | -0.022 | 18.263 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | I | 417 | LEU | 0 | -0.055 | -0.050 | 15.479 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | I | 418 | ASN | 0 | 0.043 | 0.027 | 20.032 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | I | 419 | THR | 0 | 0.012 | 0.021 | 18.331 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | I | 420 | ILE | 0 | 0.045 | 0.025 | 21.206 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | I | 421 | ILE | 0 | -0.013 | -0.004 | 19.466 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | I | 422 | PHE | 0 | -0.031 | -0.023 | 22.001 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | I | 423 | MET | 0 | -0.027 | 0.007 | 25.443 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | I | 424 | GLY | 0 | 0.012 | -0.002 | 29.139 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | I | 425 | ARG | 1 | 0.814 | 0.899 | 32.532 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | I | 426 | VAL | 0 | -0.002 | 0.006 | 35.581 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | I | 427 | ALA | 0 | 0.008 | -0.010 | 38.023 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | I | 428 | ASN | 0 | 0.055 | 0.004 | 40.831 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | I | 429 | PRO | 0 | -0.033 | 0.002 | 39.794 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | I | 431 | VAL | -1 | -0.890 | -0.925 | 43.212 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |