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: MZYGZ
Calculation Name: 1M1C-A-Xray549
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1M1C
Chain ID: A
UniProt ID: P32503
Base Structure: X-ray
Registration Date: 2025-10-11
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 | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 651 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -15296648.150483 |
|---|---|
| FMO2-HF: Nuclear repulsion | 15040139.57368 |
| FMO2-HF: Total energy | -256508.576803 |
| FMO2-MP2: Total energy | -257256.467832 |
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(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| 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. |
| -209.296 | -196.637 | 30.508 | -16.513 | -26.648 | -0.17 |
Interaction energy analysis for fragmet #1(A:1:MET)
| 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 | A | 3 | ARG | 1 | 0.948 | 0.984 | 3.245 | 46.856 | 48.851 | 0.014 | -0.838 | -1.171 | -0.001 |
| 4 | A | 4 | PHE | 0 | 0.019 | 0.026 | 3.363 | 7.688 | 8.528 | 0.021 | -0.227 | -0.634 | 0.000 |
| 5 | A | 5 | VAL | 0 | 0.025 | 0.010 | 4.200 | 7.325 | 7.653 | 0.000 | -0.066 | -0.261 | 0.000 |
| 289 | A | 289 | PHE | 0 | 0.020 | -0.007 | 4.692 | -0.044 | 0.066 | -0.001 | -0.005 | -0.104 | 0.000 |
| 290 | A | 290 | TYR | 0 | -0.067 | -0.045 | 2.341 | -7.806 | -5.892 | 1.155 | -0.900 | -2.168 | -0.005 |
| 291 | A | 291 | THR | 0 | 0.021 | -0.001 | 4.299 | -1.877 | -1.664 | -0.001 | -0.021 | -0.191 | 0.000 |
| 293 | A | 293 | ALA | 0 | -0.016 | -0.016 | 2.448 | 0.615 | 0.990 | 0.775 | -0.308 | -0.841 | -0.003 |
| 294 | A | 294 | GLN | 0 | 0.025 | 0.041 | 3.230 | -7.197 | -4.924 | 0.373 | -0.772 | -1.874 | -0.005 |
| 295 | A | 295 | LEU | 0 | -0.017 | -0.011 | 4.536 | 1.523 | 1.506 | 0.006 | 0.100 | -0.089 | 0.000 |
| 297 | A | 297 | ALA | 0 | -0.012 | -0.022 | 4.623 | 1.284 | 1.482 | 0.005 | -0.051 | -0.152 | 0.000 |
| 346 | A | 346 | THR | 0 | 0.025 | 0.006 | 3.180 | 0.763 | 1.053 | 0.026 | -0.085 | -0.231 | -0.001 |
| 347 | A | 347 | ALA | 0 | 0.035 | 0.025 | 4.582 | -7.815 | -7.778 | -0.001 | -0.009 | -0.027 | 0.000 |
| 349 | A | 349 | GLU | -1 | -0.915 | -0.953 | 4.867 | -51.815 | -51.753 | -0.001 | -0.016 | -0.045 | 0.000 |
| 350 | A | 350 | ASP | -1 | -0.757 | -0.873 | 1.940 | -138.117 | -139.254 | 19.621 | -10.129 | -8.354 | -0.130 |
| 351 | A | 351 | TRP | 0 | -0.008 | -0.011 | 4.227 | 5.553 | 5.882 | 0.000 | -0.084 | -0.245 | 0.000 |
| 354 | A | 354 | ILE | 0 | -0.010 | -0.006 | 2.343 | 1.823 | 2.303 | 1.806 | -0.297 | -1.990 | -0.001 |
| 360 | A | 360 | LEU | 0 | -0.026 | 0.003 | 3.700 | -0.825 | -0.517 | 0.001 | -0.048 | -0.261 | 0.000 |
| 361 | A | 361 | VAL | 0 | 0.020 | 0.007 | 4.019 | -3.415 | -2.901 | 0.016 | -0.105 | -0.424 | 0.001 |
| 362 | A | 362 | PHE | 0 | 0.040 | 0.017 | 5.451 | -0.540 | -0.444 | -0.001 | -0.002 | -0.092 | 0.000 |
| 364 | A | 364 | TYR | 0 | -0.044 | -0.041 | 2.770 | -8.627 | -6.032 | 6.047 | -2.171 | -6.471 | -0.022 |
| 365 | A | 365 | ALA | 0 | 0.053 | 0.032 | 5.238 | 0.333 | 0.397 | -0.001 | -0.003 | -0.059 | 0.000 |
| 419 | A | 419 | PRO | 0 | -0.072 | -0.033 | 2.453 | 0.992 | 1.711 | 0.649 | -0.474 | -0.893 | -0.003 |
| 420 | A | 420 | LEU | 0 | 0.042 | 0.031 | 5.279 | 1.570 | 1.643 | -0.001 | -0.002 | -0.071 | 0.000 |
| 6 | A | 6 | THR | 0 | -0.047 | -0.031 | 6.733 | 6.007 | 6.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | LYS | 1 | 0.855 | 0.935 | 8.140 | 36.094 | 36.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | ASN | 0 | 0.029 | 0.016 | 7.902 | 5.037 | 5.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | SER | 0 | -0.032 | -0.015 | 10.994 | 1.904 | 1.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | GLN | 0 | -0.025 | -0.027 | 13.330 | 2.126 | 2.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | ASP | -1 | -0.827 | -0.894 | 11.111 | -25.999 | -25.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | LYS | 1 | 0.913 | 0.963 | 13.465 | 15.904 | 15.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | SER | 0 | -0.061 | -0.034 | 14.766 | 1.074 | 1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | SER | 0 | 0.036 | 0.005 | 9.742 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | ASP | -1 | -0.970 | -0.986 | 11.867 | -18.525 | -18.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | LEU | 0 | -0.012 | -0.002 | 8.481 | -1.079 | -1.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | PHE | 0 | 0.034 | 0.001 | 11.148 | 1.642 | 1.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | SER | 0 | -0.008 | -0.009 | 11.442 | -1.222 | -1.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | ILE | 0 | 0.030 | 0.019 | 12.197 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | CYS | 0 | -0.034 | 0.000 | 14.382 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | SER | 0 | -0.011 | -0.017 | 17.751 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | ASP | -1 | -0.876 | -0.938 | 20.406 | -10.133 | -10.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | ARG | 1 | 0.923 | 0.969 | 23.945 | 9.934 | 9.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | GLY | 0 | 0.088 | 0.056 | 20.676 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | THR | 0 | -0.104 | -0.045 | 20.340 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | PHE | 0 | 0.035 | 0.020 | 14.297 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | VAL | 0 | -0.028 | -0.023 | 20.127 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | ALA | 0 | 0.046 | 0.034 | 16.922 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | HIS | 0 | -0.016 | -0.019 | 19.054 | 0.637 | 0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | ASN | 0 | 0.043 | 0.017 | 18.791 | -1.064 | -1.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | ARG | 1 | 0.931 | 0.981 | 22.008 | 11.350 | 11.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | VAL | 0 | 0.026 | 0.014 | 24.049 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | ARG | 1 | 0.846 | 0.913 | 25.779 | 10.535 | 10.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | THR | 0 | 0.015 | 0.006 | 27.595 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | ASP | -1 | -0.830 | -0.908 | 29.970 | -9.721 | -9.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | PHE | 0 | 0.006 | -0.015 | 32.444 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | LYS | 1 | 0.871 | 0.935 | 31.264 | 10.183 | 10.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | PHE | 0 | 0.029 | 0.003 | 37.143 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | ASP | -1 | -0.781 | -0.870 | 40.360 | -7.122 | -7.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | ASN | 0 | -0.043 | -0.024 | 40.925 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | LEU | 0 | -0.019 | 0.012 | 41.654 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | VAL | 0 | 0.007 | -0.009 | 35.918 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | PHE | 0 | 0.008 | 0.015 | 37.618 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | ASN | 0 | -0.026 | -0.020 | 33.474 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | ARG | 1 | 0.881 | 0.957 | 32.149 | 9.616 | 9.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | VAL | 0 | 0.014 | 0.005 | 30.273 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | TYR | 0 | -0.067 | -0.059 | 27.090 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | GLY | 0 | -0.041 | -0.024 | 26.902 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | VAL | 0 | -0.020 | 0.013 | 22.023 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | SER | 0 | -0.060 | -0.039 | 22.210 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | GLN | 0 | 0.046 | 0.025 | 17.925 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | LYS | 1 | 0.964 | 0.997 | 19.501 | 10.774 | 10.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | PHE | 0 | 0.015 | 0.010 | 14.205 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | THR | 0 | 0.031 | 0.012 | 17.970 | 0.703 | 0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | LEU | 0 | -0.004 | 0.005 | 14.532 | -0.704 | -0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | VAL | 0 | -0.023 | 0.004 | 17.082 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | GLY | 0 | -0.011 | -0.005 | 18.996 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | ASN | 0 | -0.020 | -0.018 | 19.814 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | PRO | 0 | -0.025 | 0.000 | 15.982 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | THR | 0 | 0.022 | 0.013 | 18.656 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | VAL | 0 | -0.014 | -0.018 | 16.729 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | CYS | 0 | -0.031 | 0.003 | 19.241 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | PHE | 0 | 0.035 | 0.001 | 17.064 | -0.776 | -0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | ASN | 0 | -0.020 | -0.022 | 19.996 | 1.242 | 1.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | GLU | -1 | -0.995 | -0.993 | 20.408 | -12.198 | -12.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | GLY | 0 | 0.059 | 0.037 | 18.346 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | SER | 0 | 0.021 | 0.009 | 17.895 | 0.959 | 0.959 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | SER | 0 | -0.055 | -0.041 | 18.208 | -0.586 | -0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | TYR | 0 | -0.022 | -0.022 | 14.992 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | LEU | 0 | 0.003 | 0.002 | 16.976 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | GLU | -1 | -0.868 | -0.941 | 14.189 | -18.218 | -18.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | GLY | 0 | 0.005 | 0.003 | 15.370 | -0.881 | -0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | ILE | 0 | -0.049 | -0.024 | 16.772 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | ALA | 0 | -0.008 | -0.009 | 20.428 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | LYS | 1 | 0.869 | 0.915 | 21.701 | 14.639 | 14.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | LYS | 1 | 0.795 | 0.913 | 24.313 | 10.107 | 10.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | TYR | 0 | 0.028 | -0.009 | 25.675 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | LEU | 0 | -0.027 | 0.001 | 21.950 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | THR | 0 | -0.035 | -0.021 | 25.325 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | LEU | 0 | -0.022 | -0.023 | 24.763 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | ASP | -1 | -0.889 | -0.935 | 21.927 | -13.424 | -13.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | GLY | 0 | 0.034 | 0.013 | 21.024 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | GLY | 0 | 0.044 | 0.031 | 21.776 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | LEU | 0 | -0.004 | -0.005 | 25.250 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | ALA | 0 | 0.031 | 0.026 | 26.437 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | ILE | 0 | 0.007 | -0.011 | 29.422 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | ASP | -1 | -0.823 | -0.903 | 31.615 | -9.396 | -9.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | ASN | 0 | -0.050 | -0.043 | 30.989 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | VAL | 0 | -0.010 | -0.003 | 28.767 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | LEU | 0 | -0.026 | -0.023 | 31.833 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | ASN | 0 | -0.078 | -0.040 | 35.320 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | GLU | -1 | -0.742 | -0.850 | 31.834 | -9.223 | -9.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | LEU | 0 | -0.045 | -0.038 | 33.546 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | ARG | 1 | 0.908 | 0.963 | 36.320 | 8.088 | 8.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | SER | 0 | -0.068 | -0.031 | 37.686 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | THR | 0 | -0.015 | 0.003 | 33.873 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | CYS | 0 | -0.038 | -0.016 | 35.221 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | GLY | 0 | 0.037 | 0.030 | 38.191 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | ILE | 0 | -0.039 | -0.019 | 37.967 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | PRO | 0 | 0.036 | 0.023 | 41.344 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | GLY | 0 | 0.041 | 0.004 | 43.459 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | ASN | 0 | 0.034 | 0.004 | 44.041 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | ALA | 0 | 0.019 | 0.020 | 42.294 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | VAL | 0 | 0.029 | 0.006 | 38.988 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | ALA | 0 | -0.016 | 0.002 | 39.640 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | SER | 0 | -0.005 | 0.000 | 41.592 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | HIS | 1 | 0.879 | 0.940 | 33.876 | 8.609 | 8.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | ALA | 0 | 0.015 | -0.002 | 36.982 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | TYR | 0 | -0.012 | -0.002 | 37.814 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | ASN | 0 | -0.008 | -0.004 | 37.208 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | ILE | 0 | -0.006 | -0.001 | 32.579 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | THR | 0 | -0.052 | -0.022 | 34.115 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | SER | 0 | -0.016 | -0.007 | 34.880 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | TRP | 0 | -0.051 | -0.017 | 30.648 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | ARG | 1 | 0.919 | 0.962 | 27.360 | 9.672 | 9.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | TRP | 0 | 0.044 | 0.009 | 25.459 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | TYR | 0 | -0.022 | -0.019 | 19.235 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | ASP | -1 | -0.753 | -0.863 | 17.960 | -15.045 | -15.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | ASN | 0 | 0.032 | 0.002 | 15.145 | -1.228 | -1.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | HIS | 1 | 0.865 | 0.904 | 13.660 | 16.392 | 16.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | VAL | 0 | 0.019 | 0.023 | 9.970 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | ALA | 0 | 0.073 | 0.035 | 11.710 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | LEU | 0 | 0.012 | 0.022 | 14.322 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | LEU | 0 | -0.045 | -0.033 | 9.474 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | MET | 0 | 0.025 | 0.017 | 9.649 | -0.706 | -0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | ASN | 0 | 0.032 | 0.028 | 10.716 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | MET | 0 | -0.032 | -0.012 | 12.474 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | LEU | 0 | 0.010 | 0.002 | 5.915 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | ARG | 1 | 0.802 | 0.905 | 10.347 | 15.210 | 15.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | ALA | 0 | 0.046 | 0.030 | 12.546 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | TYR | 0 | -0.006 | -0.018 | 10.964 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | HIS | 0 | -0.046 | -0.055 | 8.292 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | LEU | 0 | 0.039 | 0.028 | 13.665 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | GLN | 0 | -0.012 | 0.005 | 17.089 | 0.738 | 0.738 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | VAL | 0 | -0.027 | -0.016 | 14.483 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | LEU | 0 | 0.005 | -0.003 | 16.233 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | THR | 0 | -0.024 | -0.008 | 19.274 | 0.687 | 0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | GLU | -1 | -0.776 | -0.866 | 19.532 | -12.525 | -12.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | GLN | 0 | -0.075 | -0.044 | 17.929 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | GLY | 0 | -0.018 | 0.002 | 22.518 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | GLN | 0 | -0.019 | -0.020 | 20.790 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | TYR | 0 | -0.056 | -0.007 | 20.719 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | SER | 0 | -0.028 | -0.010 | 22.971 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | ALA | 0 | 0.055 | 0.030 | 23.674 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | GLY | 0 | -0.005 | 0.000 | 23.003 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | ASP | -1 | -0.871 | -0.940 | 23.857 | -9.690 | -9.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | ILE | 0 | -0.029 | -0.017 | 23.142 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | PRO | 0 | -0.030 | -0.016 | 23.876 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | MET | 0 | -0.006 | 0.039 | 26.905 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | TYR | 0 | 0.022 | 0.021 | 28.766 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | HIS | 0 | -0.003 | -0.026 | 30.633 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | ASP | -1 | -0.799 | -0.896 | 33.625 | -8.464 | -8.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | GLY | 0 | -0.005 | -0.001 | 35.079 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | HIS | 1 | 0.851 | 0.904 | 37.458 | 7.963 | 7.963 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | VAL | 0 | 0.014 | 0.017 | 34.946 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | LYS | 1 | 0.921 | 0.939 | 35.036 | 8.149 | 8.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | ILE | 0 | 0.017 | 0.021 | 29.436 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | LYS | 1 | 0.942 | 0.954 | 30.859 | 8.035 | 8.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | LEU | 0 | 0.041 | 0.023 | 26.477 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | PRO | 0 | -0.022 | -0.009 | 29.383 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | VAL | 0 | 0.003 | 0.007 | 25.496 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | THR | 0 | 0.004 | -0.002 | 27.240 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | ILE | 0 | -0.026 | 0.007 | 26.310 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | ASP | -1 | -0.792 | -0.884 | 28.866 | -8.884 | -8.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | ASP | -1 | -0.853 | -0.945 | 26.567 | -10.409 | -10.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | THR | 0 | -0.059 | -0.059 | 29.316 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | ALA | 0 | -0.041 | -0.017 | 32.703 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | GLY | 0 | 0.006 | 0.022 | 29.498 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | PRO | 0 | -0.024 | -0.016 | 26.929 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | THR | 0 | 0.025 | 0.004 | 26.936 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | GLN | 0 | -0.022 | -0.017 | 25.664 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | PHE | 0 | 0.017 | 0.007 | 18.889 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | ALA | 0 | -0.004 | -0.007 | 23.091 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | TRP | 0 | -0.005 | -0.023 | 21.398 | -0.790 | -0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | PRO | 0 | 0.007 | 0.022 | 20.136 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | SER | 0 | 0.025 | 0.025 | 23.281 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | ASP | -1 | -0.851 | -0.946 | 25.586 | -8.961 | -8.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | ARG | 1 | 0.791 | 0.908 | 29.121 | 8.335 | 8.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | SER | 0 | -0.056 | -0.033 | 32.034 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | THR | 0 | -0.011 | 0.000 | 32.169 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | ASP | -1 | -0.863 | -0.921 | 28.823 | -9.668 | -9.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | SER | 0 | 0.016 | 0.014 | 31.572 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | TYR | 0 | 0.014 | -0.029 | 27.167 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | PRO | 0 | -0.022 | -0.009 | 25.418 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | ASP | -1 | -0.845 | -0.902 | 28.658 | -8.373 | -8.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | TRP | 0 | 0.046 | 0.012 | 26.474 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | ALA | 0 | 0.025 | 0.010 | 29.200 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | GLN | 0 | -0.011 | -0.006 | 29.199 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | PHE | 0 | -0.033 | -0.027 | 29.148 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | SER | 0 | 0.057 | 0.019 | 29.789 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | GLU | -1 | -0.895 | -0.926 | 32.334 | -8.175 | -8.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | SER | 0 | 0.007 | -0.011 | 32.258 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | PHE | 0 | -0.028 | -0.027 | 32.142 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | PRO | 0 | -0.002 | 0.029 | 30.185 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | SER | 0 | 0.004 | -0.026 | 32.302 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | ILE | 0 | 0.005 | 0.004 | 32.359 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | ASP | -1 | -0.749 | -0.872 | 29.734 | -10.241 | -10.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | VAL | 0 | 0.005 | 0.025 | 28.359 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | PRO | 0 | 0.034 | 0.017 | 23.431 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | TYR | 0 | 0.026 | 0.010 | 24.526 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | LEU | 0 | -0.013 | 0.030 | 19.522 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | ASP | -1 | -0.760 | -0.876 | 20.795 | -11.353 | -11.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | VAL | 0 | 0.030 | 0.009 | 19.791 | -0.749 | -0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | ARG | 1 | 0.832 | 0.906 | 21.878 | 11.303 | 11.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | PRO | 0 | -0.024 | 0.002 | 20.417 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | LEU | 0 | -0.045 | -0.014 | 18.183 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | THR | 0 | -0.024 | -0.012 | 21.998 | 0.618 | 0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | VAL | 0 | 0.119 | 0.045 | 23.900 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | THR | 0 | 0.034 | 0.015 | 23.676 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 210 | GLU | -1 | -0.787 | -0.839 | 19.447 | -13.183 | -13.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 211 | VAL | 0 | 0.006 | -0.001 | 20.596 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 212 | ASN | 0 | 0.044 | 0.009 | 22.643 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | PHE | 0 | 0.026 | 0.015 | 15.487 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | VAL | 0 | -0.021 | -0.021 | 17.688 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | LEU | 0 | -0.014 | -0.007 | 19.708 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | MET | 0 | -0.001 | 0.033 | 22.039 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | MET | 0 | -0.065 | -0.027 | 16.626 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | MET | 0 | -0.050 | -0.012 | 18.554 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | SER | 0 | 0.022 | 0.007 | 20.703 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | LYS | 1 | 0.821 | 0.895 | 22.052 | 9.863 | 9.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | TRP | 0 | -0.038 | -0.026 | 17.269 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | HIS | 0 | -0.001 | -0.013 | 21.790 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | ARG | 1 | 0.786 | 0.901 | 19.398 | 12.574 | 12.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | ARG | 1 | 0.841 | 0.911 | 22.985 | 10.480 | 10.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | THR | 0 | -0.074 | -0.037 | 21.337 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | ASN | 0 | -0.012 | -0.027 | 22.905 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | LEU | 0 | 0.012 | 0.002 | 17.522 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | ALA | 0 | 0.003 | 0.018 | 15.139 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | ILE | 0 | -0.021 | -0.025 | 11.757 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | ASP | -1 | -0.771 | -0.882 | 14.885 | -12.534 | -12.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | TYR | 0 | 0.018 | 0.008 | 13.340 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | GLU | -1 | -0.789 | -0.878 | 18.793 | -10.798 | -10.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | ALA | 0 | -0.046 | -0.033 | 18.749 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | PRO | 0 | 0.019 | 0.001 | 20.907 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | GLN | 0 | -0.001 | 0.003 | 21.983 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | LEU | 0 | -0.073 | -0.041 | 17.820 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | ALA | 0 | -0.018 | -0.024 | 21.551 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | ASP | -1 | -0.869 | -0.920 | 24.586 | -9.907 | -9.907 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | LYS | 1 | 0.821 | 0.899 | 27.791 | 8.890 | 8.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | PHE | 0 | -0.056 | -0.028 | 24.270 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | ALA | 0 | 0.019 | 0.025 | 26.813 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | TYR | 0 | 0.029 | 0.006 | 24.579 | -0.590 | -0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | ARG | 1 | 0.785 | 0.887 | 25.070 | 10.449 | 10.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | HIS | 0 | -0.007 | -0.024 | 24.822 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | ALA | 0 | -0.018 | -0.012 | 27.353 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | LEU | 0 | -0.025 | -0.009 | 29.966 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | THR | 0 | 0.021 | 0.003 | 30.411 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | VAL | 0 | -0.060 | -0.036 | 27.198 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | GLN | 0 | 0.037 | 0.011 | 30.366 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | ASP | -1 | -0.854 | -0.917 | 29.163 | -8.859 | -8.859 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | ALA | 0 | 0.031 | 0.016 | 27.102 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | ASP | -1 | -0.891 | -0.943 | 29.212 | -8.838 | -8.838 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | GLU | -1 | -0.779 | -0.883 | 32.125 | -7.932 | -7.932 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | TRP | 0 | -0.100 | -0.048 | 28.521 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | ILE | 0 | -0.058 | -0.021 | 28.565 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | GLU | -1 | -0.953 | -0.971 | 32.798 | -7.536 | -7.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | GLY | 0 | -0.033 | -0.015 | 35.939 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | ASP | -1 | -0.944 | -0.968 | 37.186 | -7.218 | -7.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | ARG | 1 | 0.693 | 0.830 | 32.368 | 8.419 | 8.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | THR | 0 | 0.020 | 0.002 | 35.175 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | ASP | -1 | -0.750 | -0.889 | 31.270 | -8.785 | -8.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | ASP | -1 | -0.896 | -0.909 | 30.993 | -8.584 | -8.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | GLN | 0 | -0.026 | -0.032 | 31.632 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | PHE | 0 | -0.010 | 0.011 | 26.071 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | ARG | 1 | 0.872 | 0.932 | 26.719 | 8.865 | 8.865 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | PRO | 0 | 0.014 | 0.009 | 22.185 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | PRO | 0 | -0.034 | -0.005 | 20.860 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | SER | 0 | 0.023 | -0.003 | 20.816 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | SER | 0 | 0.009 | -0.035 | 15.919 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | LYS | 1 | 0.923 | 0.952 | 16.062 | 12.525 | 12.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | VAL | 0 | -0.026 | -0.016 | 17.234 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | MET | 0 | -0.003 | 0.036 | 15.617 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | LEU | 0 | 0.032 | 0.017 | 10.747 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | SER | 0 | -0.096 | -0.093 | 13.542 | -0.737 | -0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | ALA | 0 | 0.030 | 0.021 | 16.260 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | LEU | 0 | 0.025 | 0.014 | 9.684 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | ARG | 1 | 0.930 | 0.980 | 11.976 | 16.327 | 16.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | LYS | 1 | 0.834 | 0.894 | 12.963 | 12.556 | 12.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | TYR | 0 | 0.045 | 0.040 | 13.943 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | VAL | 0 | 0.028 | 0.010 | 9.361 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | ASN | 0 | 0.010 | 0.011 | 12.753 | -0.984 | -0.984 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | HIS | 0 | -0.065 | -0.028 | 14.562 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | ASN | 0 | -0.071 | -0.065 | 15.775 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | ARG | 1 | 0.868 | 0.929 | 14.528 | 14.813 | 14.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | LEU | 0 | -0.004 | 0.002 | 11.924 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | TYR | 0 | 0.025 | -0.004 | 9.037 | -1.118 | -1.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | ASN | 0 | 0.043 | 0.012 | 7.624 | -4.480 | -4.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | GLN | 0 | 0.073 | 0.039 | 8.479 | -0.898 | -0.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | ALA | 0 | 0.014 | 0.006 | 6.996 | 0.759 | 0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | LEU | 0 | -0.016 | -0.008 | 7.074 | 1.612 | 1.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | GLN | 0 | -0.030 | -0.028 | 6.544 | 3.682 | 3.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | ILE | 0 | -0.007 | 0.000 | 8.879 | 1.488 | 1.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | MET | 0 | -0.066 | -0.001 | 8.160 | 1.534 | 1.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | MET | 0 | -0.020 | -0.004 | 10.747 | 0.762 | 0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | LYS | 1 | 0.903 | 0.976 | 13.661 | 13.823 | 13.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | PRO | 0 | -0.028 | -0.019 | 15.123 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | VAL | 0 | -0.015 | -0.017 | 17.579 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | PRO | 0 | -0.029 | -0.006 | 21.354 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | ASN | 0 | -0.043 | -0.007 | 23.760 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 307 | CYS | 0 | -0.058 | -0.029 | 26.757 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 308 | ALA | 0 | 0.064 | 0.041 | 27.821 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 309 | GLU | -1 | -0.831 | -0.942 | 28.788 | -9.758 | -9.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 310 | GLY | 0 | 0.036 | -0.011 | 25.051 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 311 | TYR | 0 | -0.034 | -0.063 | 24.129 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 312 | ALA | 0 | 0.029 | 0.018 | 25.366 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 313 | TRP | 0 | -0.021 | -0.010 | 15.496 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 314 | LEU | 0 | -0.052 | -0.040 | 20.510 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 315 | MET | 0 | -0.045 | -0.006 | 22.480 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 316 | HIS | 1 | 0.846 | 0.915 | 22.145 | 12.036 | 12.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 317 | ASP | -1 | -0.820 | -0.910 | 20.045 | -13.284 | -13.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 318 | ALA | 0 | -0.024 | -0.015 | 15.894 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 319 | LEU | 0 | 0.001 | 0.006 | 17.888 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 320 | VAL | 0 | -0.010 | -0.001 | 14.156 | -0.971 | -0.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 321 | ASN | 0 | 0.005 | 0.034 | 15.998 | 1.448 | 1.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 322 | ILE | 0 | 0.005 | -0.012 | 12.801 | -1.482 | -1.482 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 323 | PRO | 0 | 0.011 | 0.011 | 14.120 | 0.893 | 0.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 324 | LYS | 1 | 0.954 | 0.964 | 16.938 | 11.722 | 11.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 325 | PHE | 0 | 0.037 | 0.028 | 16.648 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 326 | GLY | 0 | 0.035 | 0.020 | 18.658 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 327 | SER | 0 | -0.087 | -0.073 | 19.019 | -0.897 | -0.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 328 | ILE | 0 | 0.008 | -0.004 | 21.117 | 0.714 | 0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 329 | ARG | 1 | 0.750 | 0.857 | 16.366 | 17.218 | 17.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 330 | GLY | 0 | 0.023 | 0.028 | 21.932 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 331 | ARG | 1 | 0.778 | 0.905 | 24.478 | 11.057 | 11.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 332 | TYR | 0 | 0.039 | 0.017 | 26.859 | 0.617 | 0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 333 | PRO | 0 | 0.004 | 0.015 | 26.740 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 334 | PHE | 0 | 0.015 | 0.005 | 27.354 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 335 | LEU | 0 | 0.038 | 0.042 | 23.460 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 336 | LEU | 0 | 0.007 | 0.018 | 19.338 | -0.456 | -0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 337 | SER | 0 | -0.071 | -0.039 | 22.359 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 338 | GLY | 0 | 0.018 | 0.008 | 23.848 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 339 | ASP | -1 | -0.819 | -0.906 | 22.462 | -14.322 | -14.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 340 | ALA | 0 | -0.006 | 0.008 | 17.440 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 341 | ALA | 0 | 0.022 | 0.005 | 19.362 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 342 | LEU | 0 | -0.016 | -0.017 | 16.780 | -0.776 | -0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 343 | ILE | 0 | 0.021 | 0.027 | 11.847 | -1.160 | -1.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 344 | GLN | 0 | 0.032 | 0.012 | 8.745 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 345 | ALA | 0 | 0.024 | 0.007 | 9.346 | -1.732 | -1.732 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 348 | LEU | 0 | 0.007 | 0.002 | 6.596 | 1.079 | 1.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 352 | SER | 0 | -0.039 | -0.033 | 6.060 | 2.863 | 2.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 353 | ALA | 0 | 0.026 | 0.001 | 5.883 | 2.765 | 2.765 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 355 | MET | 0 | -0.071 | -0.032 | 5.547 | 3.229 | 3.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 356 | ALA | 0 | -0.047 | -0.011 | 9.044 | 2.224 | 2.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 357 | LYS | 1 | 0.795 | 0.902 | 8.664 | 21.623 | 21.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 358 | PRO | 0 | 0.063 | 0.037 | 7.801 | -2.383 | -2.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 359 | GLU | -1 | -0.781 | -0.897 | 8.368 | -21.178 | -21.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 363 | THR | 0 | 0.013 | -0.005 | 7.578 | 1.100 | 1.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 366 | MET | 0 | 0.006 | 0.013 | 7.446 | 1.592 | 1.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 367 | GLN | 0 | 0.038 | 0.011 | 7.573 | -1.769 | -1.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 368 | VAL | 0 | 0.020 | 0.005 | 5.628 | 1.259 | 1.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 369 | SER | 0 | -0.026 | -0.019 | 8.601 | 2.213 | 2.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 370 | VAL | 0 | -0.009 | -0.023 | 11.904 | 1.381 | 1.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 371 | ALA | 0 | 0.024 | 0.017 | 10.479 | 1.034 | 1.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 372 | LEU | 0 | -0.003 | 0.017 | 11.719 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 373 | ASN | 0 | -0.001 | -0.020 | 13.291 | 1.158 | 1.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 374 | THR | 0 | -0.027 | -0.045 | 15.568 | 0.658 | 0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 375 | GLY | 0 | 0.021 | -0.002 | 15.345 | 0.784 | 0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 376 | LEU | 0 | 0.018 | -0.002 | 16.294 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 377 | TYR | 0 | -0.035 | -0.009 | 18.897 | 0.894 | 0.894 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 378 | LEU | 0 | -0.038 | -0.038 | 19.056 | 0.692 | 0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 379 | ARG | 1 | 0.766 | 0.878 | 19.618 | 14.066 | 14.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 380 | ARG | 1 | 0.941 | 0.977 | 21.423 | 11.819 | 11.819 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 381 | VAL | 0 | -0.022 | -0.009 | 24.396 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 382 | LYS | 1 | 0.867 | 0.948 | 19.165 | 15.474 | 15.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 383 | LYS | 1 | 0.938 | 0.980 | 24.805 | 10.885 | 10.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 384 | THR | 0 | -0.098 | -0.053 | 26.844 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 385 | GLY | 0 | 0.036 | 0.031 | 28.565 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 386 | PHE | 0 | -0.048 | -0.023 | 26.361 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 387 | GLY | 0 | -0.015 | -0.024 | 26.226 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 388 | THR | 0 | -0.046 | -0.029 | 24.330 | -0.779 | -0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 389 | THR | 0 | -0.010 | -0.012 | 25.766 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 390 | ILE | 0 | -0.042 | 0.005 | 22.524 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 391 | ASP | -1 | -0.917 | -0.953 | 25.795 | -10.817 | -10.817 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 392 | ASP | -1 | -0.858 | -0.950 | 22.513 | -13.796 | -13.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 393 | SER | 0 | -0.008 | 0.014 | 25.853 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 394 | TYR | 0 | -0.004 | -0.035 | 19.787 | -0.772 | -0.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 395 | GLU | -1 | -0.955 | -0.970 | 22.257 | -11.455 | -11.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 396 | ASP | -1 | -0.806 | -0.911 | 23.460 | -12.508 | -12.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 397 | GLY | 0 | 0.021 | 0.022 | 22.218 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 398 | ALA | 0 | -0.049 | -0.036 | 16.580 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 399 | PHE | 0 | -0.057 | -0.041 | 16.479 | -1.258 | -1.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 400 | LEU | 0 | 0.085 | 0.056 | 19.083 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 401 | GLN | 0 | -0.057 | -0.022 | 17.303 | 0.800 | 0.800 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 402 | PRO | 0 | 0.023 | 0.009 | 17.102 | -1.165 | -1.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 403 | GLU | -1 | -0.847 | -0.925 | 12.907 | -19.320 | -19.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 404 | THR | 0 | -0.008 | -0.034 | 12.066 | -2.463 | -2.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 405 | PHE | 0 | 0.007 | 0.030 | 13.501 | -0.944 | -0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 406 | VAL | 0 | 0.009 | 0.000 | 10.303 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 407 | GLN | 0 | -0.038 | -0.020 | 8.186 | -2.860 | -2.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 408 | ALA | 0 | 0.034 | 0.012 | 10.545 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 409 | ALA | 0 | 0.005 | 0.019 | 13.575 | 0.774 | 0.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 410 | LEU | 0 | 0.015 | 0.011 | 7.315 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 411 | ALA | 0 | -0.005 | 0.031 | 11.222 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 412 | CYS | 0 | -0.061 | -0.012 | 12.431 | 1.600 | 1.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 413 | CYS | 0 | 0.001 | 0.006 | 14.989 | 1.254 | 1.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 414 | THR | 0 | -0.049 | -0.058 | 10.435 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 415 | GLY | 0 | -0.005 | 0.001 | 13.379 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 416 | GLN | 0 | -0.082 | -0.051 | 9.505 | -1.853 | -1.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 417 | ASP | -1 | -0.824 | -0.901 | 7.521 | -27.825 | -27.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 418 | ALA | 0 | 0.016 | 0.017 | 6.670 | -5.845 | -5.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 421 | ASN | 0 | 0.052 | 0.013 | 6.142 | -8.837 | -8.837 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 422 | GLY | 0 | 0.011 | 0.009 | 8.210 | -0.843 | -0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 423 | MET | 0 | -0.077 | -0.021 | 9.428 | 2.291 | 2.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 424 | SER | 0 | -0.010 | 0.000 | 12.849 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 425 | ASP | -1 | -0.838 | -0.918 | 16.071 | -15.018 | -15.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 426 | VAL | 0 | -0.008 | 0.008 | 11.766 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 427 | TYR | 0 | -0.048 | -0.041 | 12.459 | -1.853 | -1.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 428 | VAL | 0 | 0.014 | 0.009 | 11.082 | 1.134 | 1.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 429 | THR | 0 | -0.030 | -0.018 | 13.713 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 430 | TYR | 0 | 0.040 | 0.006 | 15.209 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 431 | PRO | 0 | 0.037 | 0.017 | 19.704 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 432 | ASP | -1 | -0.826 | -0.892 | 22.646 | -12.096 | -12.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 433 | LEU | 0 | -0.076 | -0.046 | 20.896 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 434 | LEU | 0 | -0.025 | 0.004 | 21.294 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 435 | GLU | -1 | -0.849 | -0.909 | 23.842 | -10.884 | -10.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 436 | PHE | 0 | -0.034 | -0.038 | 23.932 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 437 | ASP | -1 | -0.933 | -0.973 | 27.874 | -9.745 | -9.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 438 | ALA | 0 | 0.026 | 0.017 | 27.103 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 439 | VAL | 0 | -0.003 | 0.004 | 28.817 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 440 | THR | 0 | -0.045 | -0.011 | 27.196 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 441 | GLN | 0 | 0.043 | 0.023 | 29.948 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 442 | VAL | 0 | 0.026 | 0.003 | 28.674 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 443 | PRO | 0 | -0.009 | -0.010 | 31.479 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 444 | ILE | 0 | -0.084 | -0.058 | 33.662 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 445 | THR | 0 | -0.017 | 0.003 | 36.056 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 446 | VAL | 0 | 0.032 | 0.007 | 38.762 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 447 | ILE | 0 | -0.074 | -0.023 | 39.942 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 448 | GLU | -1 | -0.904 | -0.937 | 41.503 | -6.751 | -6.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 449 | PRO | 0 | -0.019 | -0.023 | 42.199 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 450 | ALA | 0 | -0.078 | -0.036 | 40.173 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 451 | GLY | 0 | 0.000 | 0.013 | 40.717 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 452 | TYR | 0 | -0.017 | -0.012 | 33.739 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 453 | ASN | 0 | -0.040 | -0.023 | 34.977 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 454 | ILE | 0 | -0.022 | -0.027 | 37.901 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 455 | VAL | 0 | -0.015 | 0.000 | 38.416 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 456 | ASP | -1 | -0.888 | -0.946 | 39.470 | -7.469 | -7.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 457 | ASP | -1 | -0.919 | -0.939 | 39.996 | -7.280 | -7.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 458 | HIS | 0 | -0.010 | -0.017 | 34.805 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 459 | LEU | 0 | -0.051 | 0.000 | 31.893 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 460 | VAL | 0 | 0.027 | 0.014 | 33.467 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 461 | VAL | 0 | -0.041 | -0.023 | 28.546 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 462 | VAL | 0 | 0.031 | 0.023 | 29.805 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 463 | GLY | 0 | 0.028 | 0.022 | 25.922 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 464 | VAL | 0 | 0.002 | 0.004 | 19.988 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 465 | PRO | 0 | -0.006 | 0.017 | 22.665 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 466 | VAL | 0 | 0.005 | -0.013 | 21.639 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 467 | ALA | 0 | -0.010 | -0.001 | 20.074 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 468 | CYS | 0 | -0.049 | 0.007 | 17.380 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 469 | SER | 0 | 0.011 | -0.006 | 19.461 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 470 | PRO | 0 | -0.008 | -0.015 | 17.517 | -0.779 | -0.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 471 | TYR | 0 | 0.007 | -0.005 | 17.499 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 472 | MET | 0 | -0.007 | 0.004 | 13.208 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 473 | ILE | 0 | -0.011 | -0.011 | 11.123 | -1.616 | -1.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 474 | PHE | 0 | 0.026 | 0.009 | 13.958 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 475 | PRO | 0 | -0.024 | 0.002 | 14.564 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 476 | VAL | 0 | -0.037 | -0.001 | 13.192 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 477 | ALA | 0 | 0.034 | 0.002 | 15.883 | 1.131 | 1.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 478 | ALA | 0 | 0.037 | 0.020 | 18.306 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 479 | PHE | 0 | -0.068 | -0.045 | 19.410 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 480 | ASP | -1 | -0.854 | -0.911 | 21.662 | -15.038 | -15.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 481 | THR | 0 | -0.046 | -0.041 | 23.648 | 0.826 | 0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 482 | ALA | 0 | 0.009 | 0.015 | 25.138 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 483 | ASN | 0 | 0.008 | -0.037 | 22.927 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 484 | PRO | 0 | 0.029 | 0.003 | 25.138 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 485 | TYR | 0 | 0.007 | 0.005 | 19.216 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 486 | CYS | 0 | -0.065 | 0.008 | 20.439 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 487 | GLY | 0 | 0.058 | 0.037 | 22.097 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 488 | ASN | 0 | -0.082 | -0.057 | 23.234 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 489 | PHE | 0 | 0.014 | 0.015 | 26.553 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 490 | VAL | 0 | 0.013 | 0.018 | 29.222 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 491 | ILE | 0 | 0.009 | 0.008 | 32.927 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 492 | LYS | 1 | 0.890 | 0.944 | 33.244 | 9.546 | 9.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 493 | ALA | 0 | 0.013 | 0.002 | 37.524 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 494 | ALA | 0 | -0.004 | -0.004 | 40.173 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 495 | ASN | 0 | 0.016 | 0.007 | 40.078 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 496 | LYS | 1 | 0.943 | 0.963 | 42.504 | 6.835 | 6.835 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 497 | TYR | 0 | 0.021 | 0.028 | 43.453 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 498 | LEU | 0 | -0.004 | -0.010 | 47.627 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 499 | ARG | 1 | 0.972 | 0.969 | 50.237 | 5.520 | 5.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 500 | LYS | 1 | 0.912 | 0.961 | 50.206 | 6.087 | 6.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 501 | GLY | 0 | 0.006 | 0.011 | 46.338 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 502 | ALA | 0 | -0.028 | -0.010 | 43.495 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 503 | VAL | 0 | -0.023 | -0.003 | 42.176 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 504 | TYR | 0 | 0.007 | -0.004 | 37.250 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 505 | ASP | -1 | -0.811 | -0.896 | 34.871 | -8.640 | -8.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 506 | LYS | 1 | 0.780 | 0.886 | 32.115 | 9.179 | 9.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 507 | LEU | 0 | 0.010 | 0.025 | 27.777 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 508 | GLU | -1 | -0.759 | -0.894 | 31.344 | -9.744 | -9.744 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 509 | ALA | 0 | -0.002 | 0.003 | 33.708 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 510 | TRP | 0 | -0.014 | -0.017 | 24.559 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 511 | LYS | 1 | 0.785 | 0.890 | 29.394 | 10.031 | 10.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 512 | LEU | 0 | -0.033 | -0.007 | 31.141 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 513 | ALA | 0 | 0.026 | 0.002 | 33.466 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 514 | TRP | 0 | -0.001 | 0.006 | 25.507 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 515 | ALA | 0 | 0.019 | 0.014 | 31.136 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 516 | LEU | 0 | -0.026 | -0.019 | 32.652 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 517 | ARG | 1 | 0.893 | 0.960 | 32.083 | 9.349 | 9.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 518 | VAL | 0 | -0.022 | -0.004 | 29.196 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 519 | ALA | 0 | 0.009 | 0.011 | 32.488 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 520 | GLY | 0 | 0.002 | 0.005 | 35.917 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 521 | TYR | 0 | -0.004 | -0.020 | 37.414 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 522 | ASP | -1 | -0.770 | -0.873 | 37.294 | -8.442 | -8.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 523 | THR | 0 | 0.003 | -0.006 | 36.933 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 524 | HIS | 0 | -0.014 | -0.002 | 38.454 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 525 | PHE | 0 | -0.014 | -0.014 | 36.741 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 526 | LYS | 1 | 0.940 | 0.962 | 41.111 | 6.751 | 6.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 527 | VAL | 0 | 0.036 | 0.021 | 38.390 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 528 | TYR | 0 | -0.017 | -0.006 | 40.825 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 529 | GLY | 0 | 0.060 | 0.024 | 42.116 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 530 | ASP | -1 | -0.927 | -0.949 | 41.727 | -7.376 | -7.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 531 | THR | 0 | 0.101 | 0.058 | 36.545 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 532 | HIS | 1 | 0.735 | 0.865 | 36.710 | 7.322 | 7.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 533 | GLY | 0 | 0.086 | 0.052 | 36.173 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 534 | LEU | 0 | 0.020 | 0.001 | 37.385 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 535 | THR | 0 | -0.034 | -0.017 | 38.233 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 536 | LYS | 1 | 0.871 | 0.915 | 37.082 | 7.931 | 7.931 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 537 | PHE | 0 | -0.043 | -0.016 | 32.666 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 538 | TYR | 0 | 0.013 | 0.019 | 28.810 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 539 | ALA | 0 | 0.068 | 0.022 | 29.717 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 540 | ASP | -1 | -0.819 | -0.877 | 28.680 | -9.276 | -9.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 541 | ASN | 0 | -0.116 | -0.083 | 29.575 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 542 | GLY | 0 | 0.049 | 0.037 | 27.759 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 543 | ASP | -1 | -0.767 | -0.875 | 23.897 | -11.791 | -11.791 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 544 | THR | 0 | -0.132 | -0.083 | 25.605 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 545 | TRP | 0 | 0.016 | 0.021 | 22.859 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 546 | THR | 0 | -0.020 | -0.017 | 26.467 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 547 | HIS | 0 | 0.056 | 0.023 | 24.027 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 548 | ILE | 0 | 0.011 | 0.012 | 24.888 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 549 | PRO | 0 | -0.020 | -0.019 | 28.050 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 550 | GLU | 0 | 0.036 | 0.003 | 30.549 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 551 | PHE | 0 | 0.055 | 0.015 | 31.582 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 552 | VAL | 0 | -0.058 | -0.024 | 30.256 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 553 | THR | 0 | 0.012 | -0.013 | 27.768 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 554 | ASP | -1 | -0.840 | -0.871 | 30.150 | -9.458 | -9.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 555 | GLY | 0 | 0.033 | -0.003 | 33.522 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 556 | ASP | -1 | -0.882 | -0.928 | 34.909 | -7.975 | -7.975 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 557 | VAL | 0 | -0.028 | -0.019 | 36.409 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 558 | MET | 0 | 0.004 | -0.007 | 36.149 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 559 | GLU | -1 | -0.913 | -0.950 | 36.609 | -7.658 | -7.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 560 | VAL | 0 | 0.017 | 0.001 | 36.384 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 561 | PHE | 0 | -0.044 | -0.013 | 39.528 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 562 | VAL | 0 | 0.034 | 0.020 | 39.355 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 563 | THR | 0 | -0.023 | -0.027 | 41.787 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 564 | ALA | 0 | -0.014 | -0.017 | 43.725 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 565 | ILE | 0 | 0.014 | 0.023 | 40.447 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 566 | GLU | -1 | -0.873 | -0.944 | 42.711 | -7.144 | -7.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 567 | ARG | 1 | 0.902 | 0.969 | 42.035 | 6.778 | 6.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 568 | ARG | 1 | 0.889 | 0.939 | 36.079 | 8.424 | 8.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 569 | ALA | 0 | 0.008 | 0.000 | 41.312 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 570 | ARG | 1 | 0.910 | 0.959 | 35.458 | 8.313 | 8.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 571 | HIS | 0 | -0.012 | -0.005 | 38.732 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 572 | PHE | 0 | -0.032 | -0.026 | 35.727 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 573 | VAL | 0 | 0.028 | 0.018 | 36.486 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 574 | GLU | -1 | -0.943 | -0.968 | 39.371 | -6.818 | -6.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 575 | LEU | 0 | -0.008 | -0.005 | 37.235 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 576 | PRO | 0 | 0.017 | 0.018 | 41.260 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 577 | ARG | 1 | 0.889 | 0.927 | 42.706 | 6.597 | 6.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 578 | LEU | 0 | 0.022 | 0.038 | 38.770 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 579 | ASN | 0 | 0.050 | 0.021 | 42.600 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 580 | SER | 0 | -0.054 | -0.036 | 44.092 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 581 | PRO | 0 | 0.026 | 0.006 | 46.833 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 582 | ALA | 0 | -0.002 | 0.006 | 48.614 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 583 | PHE | 0 | -0.033 | -0.034 | 47.420 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 584 | PHE | 0 | -0.007 | 0.014 | 39.782 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 585 | ARG | 1 | 0.863 | 0.896 | 42.211 | 7.048 | 7.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 586 | SER | 0 | -0.001 | 0.002 | 38.632 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 587 | VAL | 0 | 0.001 | 0.008 | 35.638 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 588 | GLU | -1 | -0.818 | -0.896 | 31.167 | -10.274 | -10.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 589 | VAL | 0 | -0.012 | -0.004 | 29.829 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 590 | SER | 0 | -0.006 | -0.017 | 28.122 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 591 | THR | 0 | -0.004 | 0.012 | 24.452 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 592 | THR | 0 | 0.028 | 0.007 | 23.545 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 593 | ILE | 0 | 0.016 | 0.015 | 18.887 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 594 | TYR | 0 | -0.084 | -0.047 | 22.478 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 595 | ASP | -1 | -0.925 | -0.969 | 21.752 | -12.919 | -12.919 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 596 | THR | 0 | -0.031 | -0.014 | 16.929 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 597 | HIS | 0 | -0.016 | 0.004 | 18.495 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 598 | VAL | 0 | 0.021 | 0.018 | 16.265 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 599 | GLN | 0 | -0.054 | -0.048 | 19.009 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 600 | ALA | 0 | 0.034 | 0.021 | 20.916 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 601 | GLY | 0 | 0.055 | 0.027 | 22.917 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 602 | ALA | 0 | -0.051 | -0.023 | 26.429 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 603 | HIS | 0 | 0.019 | 0.009 | 27.629 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 604 | ALA | 0 | 0.012 | 0.025 | 23.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 605 | VAL | 0 | 0.007 | -0.004 | 23.103 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 606 | TYR | 0 | -0.014 | -0.005 | 18.326 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 607 | HIS | 0 | 0.029 | 0.001 | 19.258 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 608 | ALA | 0 | 0.019 | 0.019 | 15.403 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 609 | SER | 0 | -0.047 | -0.017 | 13.744 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 610 | ARG | 1 | 0.917 | 0.949 | 13.642 | 16.731 | 16.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 611 | ILE | 0 | 0.019 | 0.012 | 9.204 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 612 | ASN | 0 | -0.002 | 0.003 | 12.521 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 613 | LEU | 0 | 0.055 | 0.005 | 9.844 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 614 | ASP | -1 | -0.918 | -0.966 | 12.982 | -18.864 | -18.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 615 | TYR | 0 | 0.003 | -0.022 | 16.136 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 616 | VAL | 0 | -0.045 | 0.003 | 10.035 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 617 | LYS | 1 | 0.872 | 0.963 | 11.636 | 18.749 | 18.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 618 | PRO | 0 | 0.016 | 0.013 | 9.748 | 1.234 | 1.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 619 | VAL | 0 | -0.019 | -0.001 | 12.626 | 1.273 | 1.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 620 | SER | 0 | 0.045 | 0.010 | 15.149 | -0.577 | -0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 621 | THR | 0 | -0.018 | -0.015 | 16.892 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 622 | GLY | 0 | 0.043 | 0.032 | 19.900 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 623 | ILE | 0 | -0.029 | -0.017 | 14.992 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 624 | GLN | 0 | 0.007 | 0.012 | 18.088 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 625 | VAL | 0 | 0.002 | 0.010 | 12.290 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 626 | ILE | 0 | -0.064 | -0.025 | 13.213 | 1.396 | 1.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 627 | ASN | 0 | 0.022 | -0.014 | 11.949 | -3.360 | -3.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 628 | ALA | 0 | 0.036 | 0.021 | 12.835 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 629 | GLY | 0 | 0.001 | -0.003 | 13.242 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 630 | GLU | -1 | -0.846 | -0.913 | 13.621 | -19.799 | -19.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 631 | LEU | 0 | 0.055 | 0.009 | 13.841 | -0.971 | -0.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 632 | LYS | 1 | 0.913 | 0.962 | 14.926 | 16.711 | 16.711 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 633 | ASN | 0 | -0.001 | 0.003 | 13.529 | 1.005 | 1.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 634 | TYR | 0 | 0.008 | 0.003 | 11.423 | -1.784 | -1.784 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 635 | TRP | 0 | -0.006 | 0.018 | 6.891 | -4.202 | -4.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 636 | GLY | 0 | 0.004 | -0.005 | 7.916 | 2.560 | 2.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 637 | SER | 0 | -0.035 | -0.024 | 6.659 | -2.937 | -2.937 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 638 | VAL | 0 | -0.008 | 0.006 | 8.508 | 3.352 | 3.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 639 | ARG | 1 | 0.930 | 0.943 | 10.678 | 21.876 | 21.876 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 640 | ARG | 1 | 0.876 | 0.946 | 12.987 | 18.471 | 18.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 641 | THR | 0 | -0.037 | -0.032 | 16.438 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 642 | GLN | 0 | 0.015 | -0.008 | 18.959 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 643 | GLN | 0 | -0.031 | -0.014 | 21.691 | 0.858 | 0.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 644 | GLY | 0 | 0.101 | 0.066 | 21.465 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 645 | LEU | 0 | -0.065 | -0.023 | 15.756 | -0.676 | -0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 646 | GLY | 0 | 0.026 | 0.019 | 16.191 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 647 | VAL | 0 | -0.016 | -0.015 | 12.475 | -1.355 | -1.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 648 | VAL | 0 | -0.030 | -0.009 | 11.627 | 1.871 | 1.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 649 | GLY | 0 | 0.010 | 0.011 | 11.586 | -1.988 | -1.988 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 650 | LEU | 0 | -0.017 | -0.021 | 7.918 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 651 | THR | -1 | -1.002 | -0.978 | 9.757 | -26.587 | -26.587 | 0.000 | 0.000 | 0.000 | 0.000 |