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: 4GV8N
Calculation Name: 1GPU-A-Xray549
Preferred Name:
Target Type:
Ligand Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate | calcium ion
Ligand 3-letter code: THD | CA
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1GPU
Chain ID: A
UniProt ID: P23254
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 | 678 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -15468723.523161 |
|---|---|
| FMO2-HF: Nuclear repulsion | 15213278.646886 |
| FMO2-HF: Total energy | -255444.876275 |
| FMO2-MP2: Total energy | -256201.586214 |
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:3:GLN)
Summations of interaction energy for
fragment #1(A:3:GLN)
| 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. |
| -40.125 | -38.374 | -0.024 | -0.716 | -1.011 | -0.002 |
Interaction energy analysis for fragmet #1(A:3:GLN)
| 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 | 5 | THR | 0 | -0.007 | -0.011 | 3.833 | 5.366 | 7.117 | -0.024 | -0.716 | -1.011 | -0.002 |
| 4 | A | 6 | ASP | -1 | -0.783 | -0.904 | 6.777 | -24.290 | -24.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 7 | ILE | 0 | 0.006 | 0.011 | 9.460 | 1.512 | 1.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 8 | ASP | -1 | -0.745 | -0.852 | 6.714 | -43.974 | -43.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 9 | LYS | 1 | 0.910 | 0.952 | 9.226 | 28.576 | 28.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 10 | LEU | 0 | 0.019 | 0.035 | 11.888 | 1.748 | 1.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 11 | ALA | 0 | 0.033 | 0.027 | 11.907 | 1.710 | 1.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 12 | VAL | 0 | -0.002 | -0.001 | 11.232 | 1.448 | 1.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 13 | SER | 0 | -0.035 | -0.030 | 14.035 | 1.659 | 1.659 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 14 | THR | 0 | -0.010 | -0.024 | 16.879 | 1.384 | 1.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 15 | ILE | 0 | -0.026 | -0.005 | 14.314 | 1.089 | 1.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 16 | ARG | 1 | 0.790 | 0.898 | 15.930 | 19.094 | 19.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 17 | ILE | 0 | 0.015 | 0.010 | 19.954 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 18 | LEU | 0 | -0.001 | 0.012 | 21.627 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 19 | ALA | 0 | 0.044 | 0.036 | 22.273 | 0.681 | 0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 20 | VAL | 0 | 0.041 | 0.015 | 24.053 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 21 | ASP | -1 | -0.758 | -0.855 | 26.270 | -10.936 | -10.936 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 22 | THR | 0 | -0.059 | -0.047 | 26.191 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 23 | VAL | 0 | -0.012 | -0.007 | 27.848 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 24 | SER | 0 | -0.053 | -0.047 | 29.976 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 25 | LYS | 1 | 0.815 | 0.905 | 31.868 | 9.380 | 9.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 26 | ALA | 0 | 0.009 | 0.018 | 33.040 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 27 | ASN | 0 | -0.062 | -0.026 | 34.789 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 28 | SER | 0 | 0.026 | 0.014 | 34.223 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 29 | GLY | 0 | 0.021 | 0.007 | 31.216 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 30 | HIS | 0 | -0.023 | -0.015 | 28.239 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 31 | PRO | 0 | 0.007 | 0.019 | 26.113 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 32 | GLY | 0 | 0.055 | 0.016 | 24.541 | -0.586 | -0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 33 | ALA | 0 | 0.064 | 0.022 | 23.043 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 34 | PRO | 0 | -0.032 | -0.017 | 20.966 | -0.780 | -0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 35 | LEU | 0 | -0.040 | 0.005 | 19.594 | -0.909 | -0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 36 | GLY | 0 | 0.045 | 0.036 | 19.146 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 37 | MET | 0 | 0.011 | 0.017 | 16.918 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 38 | ALA | 0 | 0.015 | 0.012 | 15.543 | -1.151 | -1.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 39 | PRO | 0 | -0.009 | -0.008 | 12.005 | -1.281 | -1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 40 | ALA | 0 | 0.040 | 0.013 | 10.847 | -2.539 | -2.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 41 | ALA | 0 | -0.024 | -0.002 | 12.132 | -0.821 | -0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 42 | HIS | 0 | 0.038 | 0.026 | 7.960 | 2.289 | 2.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 43 | VAL | 0 | -0.040 | -0.005 | 6.453 | -1.515 | -1.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 44 | LEU | 0 | -0.001 | 0.004 | 8.466 | -1.586 | -1.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 45 | TRP | 0 | 0.054 | 0.016 | 11.177 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 46 | SER | 0 | -0.031 | -0.035 | 8.034 | 0.936 | 0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 47 | GLN | 0 | -0.084 | -0.043 | 7.815 | -2.604 | -2.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 48 | MET | 0 | -0.064 | -0.001 | 9.802 | 1.314 | 1.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 49 | ARG | 1 | 0.800 | 0.879 | 13.634 | 17.062 | 17.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 50 | MET | 0 | -0.007 | 0.007 | 15.202 | 1.047 | 1.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 51 | ASN | 0 | 0.031 | 0.009 | 18.043 | -0.843 | -0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 52 | PRO | 0 | 0.006 | 0.013 | 18.806 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 53 | THR | 0 | -0.033 | -0.035 | 21.650 | 0.715 | 0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 54 | ASN | 0 | -0.079 | -0.048 | 24.053 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 55 | PRO | 0 | 0.035 | 0.008 | 24.331 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 56 | ASP | -1 | -0.860 | -0.916 | 25.404 | -10.882 | -10.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 57 | TRP | 0 | -0.079 | -0.041 | 19.746 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 58 | ILE | 0 | 0.011 | 0.008 | 25.341 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 59 | ASN | 0 | 0.008 | -0.005 | 22.522 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 60 | ARG | 1 | 0.810 | 0.881 | 20.773 | 11.720 | 11.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 61 | ASP | -1 | -0.801 | -0.911 | 15.660 | -19.093 | -19.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 62 | ARG | 1 | 0.790 | 0.893 | 18.976 | 12.934 | 12.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 63 | PHE | 0 | 0.027 | 0.005 | 17.484 | -0.631 | -0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 64 | VAL | 0 | 0.001 | 0.007 | 20.262 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 65 | LEU | 0 | 0.037 | 0.032 | 21.719 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 66 | SER | 0 | 0.040 | 0.009 | 23.553 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 67 | ASN | 0 | -0.020 | -0.016 | 21.947 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 68 | GLY | 0 | 0.034 | 0.019 | 25.869 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 69 | HIS | 0 | 0.074 | 0.019 | 27.533 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 70 | ALA | 0 | -0.034 | -0.017 | 23.547 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 71 | VAL | 0 | 0.035 | 0.017 | 24.162 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 72 | ALA | 0 | 0.010 | 0.019 | 24.927 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 73 | LEU | 0 | -0.003 | 0.009 | 17.772 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 74 | LEU | 0 | 0.010 | 0.013 | 20.573 | -0.665 | -0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 75 | TYR | 0 | 0.024 | -0.008 | 21.970 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 76 | SER | 0 | -0.006 | -0.018 | 20.603 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 77 | MET | 0 | -0.033 | -0.006 | 14.185 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 78 | LEU | 0 | 0.002 | 0.025 | 18.883 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 79 | HIS | 0 | 0.011 | 0.014 | 21.548 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 80 | LEU | 0 | -0.030 | -0.019 | 17.498 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 81 | THR | 0 | -0.068 | -0.063 | 15.409 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 82 | GLY | 0 | -0.014 | -0.001 | 17.893 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 83 | TYR | 0 | 0.025 | 0.005 | 19.226 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 84 | ASP | -1 | -0.863 | -0.904 | 23.605 | -10.424 | -10.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 85 | LEU | 0 | -0.005 | 0.001 | 25.157 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 86 | SER | 0 | -0.025 | -0.030 | 26.143 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 87 | ILE | 0 | 0.035 | -0.003 | 24.733 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 88 | GLU | -1 | -0.876 | -0.933 | 28.210 | -9.078 | -9.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 89 | ASP | -1 | -0.750 | -0.857 | 29.453 | -10.039 | -10.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 90 | LEU | 0 | -0.042 | 0.001 | 24.526 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 91 | LYS | 1 | 0.908 | 0.957 | 29.047 | 10.198 | 10.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 92 | GLN | 0 | -0.017 | -0.006 | 32.075 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 93 | PHE | 0 | 0.026 | 0.023 | 30.227 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 94 | ARG | 1 | 0.757 | 0.876 | 32.140 | 9.814 | 9.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 95 | GLN | 0 | -0.048 | -0.003 | 35.215 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 96 | LEU | 0 | -0.004 | -0.014 | 37.817 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 97 | GLY | 0 | 0.018 | 0.011 | 39.454 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 98 | SER | 0 | -0.035 | -0.010 | 34.555 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 99 | ARG | 1 | 0.835 | 0.901 | 30.424 | 10.277 | 10.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 100 | THR | 0 | -0.034 | -0.035 | 29.060 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 101 | PRO | 0 | 0.098 | 0.060 | 31.580 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 102 | GLY | 0 | -0.002 | -0.017 | 31.579 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 103 | HIS | 0 | 0.002 | 0.001 | 30.218 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 104 | PRO | 0 | 0.005 | 0.011 | 26.928 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 105 | GLU | -1 | -0.876 | -0.956 | 29.323 | -8.842 | -8.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 106 | PHE | 0 | -0.015 | -0.034 | 30.284 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 107 | GLU | -1 | -0.926 | -0.940 | 31.600 | -8.792 | -8.792 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 108 | LEU | 0 | -0.031 | -0.004 | 27.685 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 109 | PRO | 0 | 0.046 | 0.006 | 27.883 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 110 | GLY | 0 | 0.027 | 0.004 | 24.198 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 111 | VAL | 0 | -0.091 | -0.034 | 23.856 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 112 | GLU | -1 | -0.762 | -0.856 | 23.382 | -12.586 | -12.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 113 | VAL | 0 | -0.035 | -0.037 | 26.522 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 114 | THR | 0 | 0.013 | 0.008 | 28.763 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 115 | THR | 0 | -0.086 | -0.058 | 27.454 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 116 | GLY | 0 | 0.034 | 0.021 | 30.338 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 117 | PRO | 0 | -0.048 | -0.028 | 31.725 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 118 | LEU | 0 | 0.046 | 0.021 | 30.196 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 119 | GLY | 0 | 0.048 | 0.003 | 30.063 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 120 | GLN | 0 | 0.002 | 0.000 | 30.623 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 121 | GLY | 0 | 0.037 | 0.012 | 27.267 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 122 | ILE | 0 | 0.021 | 0.000 | 24.074 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 123 | SER | 0 | 0.024 | -0.011 | 26.688 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 124 | ASN | 0 | 0.011 | 0.000 | 28.754 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 125 | ALA | 0 | 0.027 | 0.009 | 24.143 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 126 | VAL | 0 | -0.009 | 0.001 | 26.157 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 127 | GLY | 0 | 0.033 | 0.018 | 28.028 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 128 | MET | 0 | -0.039 | -0.006 | 25.890 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 129 | ALA | 0 | 0.011 | 0.010 | 24.595 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 130 | MET | 0 | -0.043 | -0.019 | 26.124 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 131 | ALA | 0 | 0.036 | 0.022 | 29.706 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 132 | GLN | 0 | 0.026 | 0.040 | 23.897 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 133 | ALA | 0 | 0.004 | 0.006 | 27.375 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 134 | ASN | 0 | 0.004 | 0.011 | 28.558 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 135 | LEU | 0 | 0.003 | 0.019 | 28.598 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 136 | ALA | 0 | 0.002 | -0.010 | 27.132 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 137 | ALA | 0 | -0.059 | -0.036 | 29.177 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 138 | THR | 0 | -0.048 | -0.018 | 32.121 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 139 | TYR | 0 | -0.050 | -0.057 | 32.063 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 140 | ASN | 0 | 0.008 | 0.022 | 26.770 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 141 | LYS | 1 | 0.931 | 0.966 | 30.716 | 9.425 | 9.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 142 | PRO | 0 | 0.019 | -0.001 | 30.313 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 143 | GLY | 0 | -0.014 | 0.000 | 28.597 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 144 | PHE | 0 | -0.036 | -0.027 | 28.354 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 145 | THR | 0 | 0.009 | 0.011 | 23.656 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 146 | LEU | 0 | -0.015 | -0.005 | 25.466 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 147 | SER | 0 | -0.004 | -0.008 | 25.367 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 148 | ASP | -1 | -0.792 | -0.875 | 20.298 | -15.437 | -15.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 149 | ASN | 0 | -0.029 | -0.002 | 19.795 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 150 | TYR | 0 | 0.028 | 0.015 | 16.674 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 151 | THR | 0 | -0.029 | -0.009 | 19.189 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 152 | TYR | 0 | 0.025 | 0.009 | 14.147 | -0.631 | -0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 153 | VAL | 0 | -0.019 | -0.012 | 18.646 | 0.711 | 0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 154 | PHE | 0 | 0.001 | 0.006 | 15.043 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 155 | LEU | 0 | 0.033 | -0.007 | 20.526 | 0.864 | 0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 156 | GLY | 0 | 0.077 | 0.038 | 22.528 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 157 | ASP | -1 | -0.788 | -0.880 | 25.075 | -11.610 | -11.610 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 158 | GLY | 0 | 0.057 | 0.026 | 28.091 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 159 | CYS | 0 | -0.103 | -0.020 | 27.274 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 160 | LEU | 0 | -0.012 | 0.023 | 25.209 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 161 | GLN | 0 | 0.016 | 0.016 | 29.501 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 162 | GLU | -1 | -0.902 | -0.945 | 32.550 | -8.546 | -8.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 163 | GLY | 0 | 0.018 | 0.014 | 33.811 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 164 | ILE | 0 | -0.027 | -0.009 | 32.968 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 165 | SER | 0 | 0.026 | -0.011 | 29.439 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 166 | SER | 0 | 0.040 | 0.041 | 30.891 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 167 | GLU | -1 | -0.877 | -0.941 | 33.060 | -8.503 | -8.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 168 | ALA | 0 | 0.027 | -0.002 | 31.039 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 169 | SER | 0 | -0.015 | -0.016 | 28.450 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 170 | SER | 0 | -0.014 | 0.024 | 29.751 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 171 | LEU | 0 | -0.033 | -0.012 | 32.650 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 172 | ALA | 0 | 0.037 | 0.002 | 27.525 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 173 | GLY | 0 | 0.004 | 0.010 | 28.138 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 174 | HIS | 0 | -0.060 | -0.032 | 29.107 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 175 | LEU | 0 | -0.018 | -0.027 | 30.844 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 176 | LYS | 1 | 0.922 | 0.975 | 27.780 | 10.580 | 10.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 177 | LEU | 0 | 0.008 | 0.021 | 25.856 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 178 | GLY | 0 | 0.035 | 0.017 | 22.422 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 179 | ASN | 0 | -0.072 | -0.042 | 20.118 | -0.776 | -0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 180 | LEU | 0 | -0.057 | -0.020 | 20.497 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 181 | ILE | 0 | -0.010 | -0.003 | 15.338 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 182 | ALA | 0 | -0.009 | -0.003 | 18.531 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 183 | ILE | 0 | -0.005 | -0.010 | 13.793 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 184 | TYR | 0 | -0.023 | -0.050 | 17.996 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 185 | ASP | -1 | -0.794 | -0.892 | 19.846 | -15.236 | -15.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 186 | ASP | -1 | -0.758 | -0.849 | 20.756 | -12.692 | -12.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 187 | ASN | 0 | -0.070 | -0.058 | 22.710 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 188 | LYS | 1 | 0.865 | 0.933 | 24.079 | 13.136 | 13.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 189 | ILE | 0 | -0.037 | 0.003 | 27.686 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 190 | THR | 0 | -0.029 | -0.013 | 29.178 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 191 | ILE | 0 | -0.020 | -0.025 | 31.981 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 192 | ASP | -1 | -0.883 | -0.942 | 34.875 | -8.160 | -8.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 193 | GLY | 0 | -0.019 | -0.006 | 34.659 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 194 | ALA | 0 | 0.006 | -0.005 | 32.016 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 195 | THR | 0 | 0.018 | 0.007 | 29.371 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 196 | SER | 0 | 0.014 | 0.007 | 32.491 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 197 | ILE | 0 | -0.015 | 0.001 | 34.691 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 198 | SER | 0 | -0.080 | -0.041 | 36.154 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 199 | PHE | 0 | -0.057 | -0.030 | 28.775 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 200 | ASP | -1 | -0.886 | -0.951 | 32.458 | -9.181 | -9.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 201 | GLU | -1 | -0.820 | -0.882 | 31.025 | -10.152 | -10.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 202 | ASP | -1 | -0.862 | -0.940 | 28.596 | -11.495 | -11.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 203 | VAL | 0 | 0.000 | -0.005 | 26.132 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 204 | ALA | 0 | -0.027 | -0.005 | 24.755 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 205 | LYS | 1 | 1.000 | 1.002 | 26.219 | 9.829 | 9.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 206 | ARG | 1 | 0.764 | 0.847 | 29.504 | 10.383 | 10.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 207 | TYR | 0 | -0.009 | -0.023 | 25.766 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 208 | GLU | -1 | -0.937 | -0.971 | 25.899 | -12.118 | -12.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 209 | ALA | 0 | -0.053 | -0.020 | 28.155 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 210 | TYR | 0 | -0.042 | -0.008 | 29.129 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 211 | GLY | 0 | -0.019 | -0.010 | 29.267 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 212 | TRP | 0 | -0.068 | -0.056 | 22.631 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 213 | GLU | -1 | -0.855 | -0.884 | 18.750 | -17.022 | -17.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 214 | VAL | 0 | -0.008 | -0.006 | 21.261 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 215 | LEU | 0 | -0.053 | -0.013 | 15.061 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 216 | TYR | 0 | 0.029 | 0.001 | 16.939 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 217 | VAL | 0 | -0.033 | -0.018 | 12.752 | -1.424 | -1.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 218 | GLU | -1 | -0.913 | -0.948 | 15.414 | -15.855 | -15.855 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 219 | ASN | 0 | -0.009 | -0.024 | 14.471 | 0.951 | 0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 220 | GLY | 0 | 0.051 | 0.007 | 13.908 | -1.766 | -1.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 221 | ASN | 0 | 0.006 | 0.002 | 14.612 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 222 | GLU | -1 | -0.862 | -0.936 | 12.704 | -18.994 | -18.994 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 223 | ASP | -1 | -0.847 | -0.910 | 8.987 | -33.288 | -33.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 224 | LEU | 0 | -0.002 | -0.019 | 6.415 | -0.986 | -0.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 225 | ALA | 0 | -0.041 | -0.015 | 4.928 | -5.131 | -5.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 226 | GLY | 0 | 0.029 | 0.014 | 6.068 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 227 | ILE | 0 | 0.001 | -0.002 | 9.016 | 1.328 | 1.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 228 | ALA | 0 | 0.002 | -0.002 | 5.189 | 1.019 | 1.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 229 | LYS | 1 | 0.926 | 0.966 | 7.034 | 27.935 | 27.935 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 230 | ALA | 0 | 0.027 | 0.014 | 8.912 | 2.141 | 2.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 231 | ILE | 0 | 0.012 | -0.006 | 9.699 | 1.703 | 1.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 232 | ALA | 0 | -0.043 | -0.021 | 8.627 | 1.259 | 1.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 233 | GLN | 0 | -0.028 | -0.016 | 10.760 | 0.833 | 0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 234 | ALA | 0 | 0.046 | 0.013 | 13.676 | 1.281 | 1.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 235 | LYS | 1 | 0.856 | 0.958 | 11.748 | 25.990 | 25.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 236 | LEU | 0 | -0.089 | -0.039 | 13.787 | 0.775 | 0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 237 | SER | 0 | -0.028 | -0.024 | 17.347 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 238 | LYS | 1 | 0.944 | 0.953 | 20.195 | 15.220 | 15.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 239 | ASP | -1 | -0.922 | -0.962 | 22.090 | -12.522 | -12.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 240 | LYS | 1 | 0.898 | 0.946 | 23.245 | 13.249 | 13.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 241 | PRO | 0 | 0.002 | 0.043 | 22.320 | -0.569 | -0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 242 | THR | 0 | 0.032 | -0.019 | 17.571 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 243 | LEU | 0 | -0.044 | -0.018 | 20.103 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 244 | ILE | 0 | 0.003 | -0.006 | 13.706 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 245 | LYS | 1 | 0.870 | 0.932 | 17.709 | 13.662 | 13.662 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 246 | MET | 0 | -0.012 | 0.000 | 14.855 | -1.201 | -1.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 247 | THR | 0 | -0.036 | -0.025 | 17.582 | 0.633 | 0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 248 | THR | 0 | -0.078 | -0.046 | 17.394 | -0.724 | -0.724 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 249 | THR | 0 | -0.005 | -0.004 | 19.786 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 250 | ILE | 0 | 0.035 | 0.031 | 22.125 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 251 | GLY | 0 | 0.033 | 0.002 | 23.769 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 252 | TYR | 0 | -0.033 | -0.016 | 17.740 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 253 | GLY | 0 | 0.049 | 0.022 | 21.686 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 254 | SER | 0 | -0.037 | -0.026 | 23.144 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 255 | LEU | 0 | -0.039 | -0.036 | 26.869 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 256 | HIS | 0 | -0.068 | -0.037 | 29.608 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 257 | ALA | 0 | -0.042 | -0.015 | 24.905 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 258 | GLY | 0 | 0.018 | 0.003 | 26.653 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 259 | SER | 0 | -0.027 | 0.013 | 27.736 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 260 | HIS | 0 | 0.105 | 0.039 | 30.046 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 261 | SER | 0 | -0.055 | -0.038 | 32.369 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 262 | VAL | 0 | 0.015 | 0.003 | 27.635 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 263 | HIS | 0 | 0.035 | 0.008 | 28.848 | -0.636 | -0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 264 | GLY | 0 | -0.045 | -0.033 | 30.093 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 265 | ALA | 0 | 0.015 | 0.025 | 32.359 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 266 | PRO | 0 | 0.028 | 0.019 | 31.471 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 267 | LEU | 0 | -0.007 | 0.002 | 26.876 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 268 | LYS | 1 | 0.988 | 0.984 | 31.387 | 8.921 | 8.921 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 269 | ALA | 0 | 0.054 | 0.024 | 32.790 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 270 | ASP | -1 | -0.854 | -0.938 | 32.711 | -9.092 | -9.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 271 | ASP | -1 | -0.780 | -0.862 | 29.527 | -11.002 | -11.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 272 | VAL | 0 | 0.026 | 0.010 | 27.944 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 273 | LYS | 1 | 0.877 | 0.941 | 28.110 | 8.742 | 8.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 274 | GLN | 0 | -0.024 | -0.018 | 26.898 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 275 | LEU | 0 | -0.020 | 0.005 | 22.756 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 276 | LYS | 1 | 0.798 | 0.875 | 23.726 | 10.719 | 10.719 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 277 | SER | 0 | -0.007 | -0.018 | 23.891 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 278 | LYS | 1 | 0.808 | 0.911 | 21.816 | 12.228 | 12.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 279 | PHE | 0 | -0.026 | -0.019 | 19.275 | -0.655 | -0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 280 | GLY | 0 | 0.016 | 0.016 | 20.009 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 281 | PHE | 0 | -0.065 | -0.026 | 19.155 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 282 | ASN | 0 | -0.020 | -0.028 | 24.035 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 283 | PRO | 0 | 0.035 | 0.015 | 27.767 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 284 | ASP | -1 | -0.845 | -0.915 | 29.781 | -9.244 | -9.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 285 | LYS | 1 | 0.905 | 0.968 | 27.001 | 11.613 | 11.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 286 | SER | 0 | 0.011 | -0.001 | 28.361 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 287 | PHE | 0 | -0.053 | -0.034 | 26.391 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 288 | VAL | 0 | -0.049 | -0.014 | 23.584 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 289 | VAL | 0 | 0.053 | 0.020 | 19.919 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 290 | PRO | 0 | -0.020 | 0.002 | 18.691 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 291 | GLN | 0 | -0.011 | -0.005 | 19.519 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 292 | GLU | -1 | -0.830 | -0.939 | 15.819 | -16.837 | -16.837 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 293 | VAL | 0 | -0.036 | -0.016 | 14.929 | -1.640 | -1.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 294 | TYR | 0 | -0.004 | -0.017 | 15.570 | -0.672 | -0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 295 | ASP | -1 | -0.871 | -0.930 | 16.491 | -16.616 | -16.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 296 | HIS | 0 | -0.050 | -0.041 | 7.915 | 1.435 | 1.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 297 | TYR | 0 | 0.031 | 0.003 | 11.765 | -0.850 | -0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 298 | GLN | 0 | 0.006 | 0.010 | 14.147 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 299 | LYS | 1 | 0.905 | 0.944 | 10.157 | 26.815 | 26.815 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 300 | THR | 0 | -0.059 | -0.056 | 8.610 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 301 | ILE | 0 | 0.031 | 0.030 | 11.176 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 302 | LEU | 0 | 0.021 | 0.018 | 13.848 | 0.932 | 0.932 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 303 | LYS | 1 | 0.923 | 0.965 | 16.698 | 16.384 | 16.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 304 | PRO | 0 | -0.017 | -0.010 | 12.723 | 0.927 | 0.927 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 305 | GLY | 0 | 0.077 | 0.049 | 15.706 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 306 | VAL | 0 | -0.033 | -0.015 | 17.794 | 0.897 | 0.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 307 | GLU | -1 | -0.852 | -0.926 | 18.468 | -13.726 | -13.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 308 | ALA | 0 | -0.030 | -0.020 | 17.623 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 309 | ASN | 0 | 0.060 | 0.043 | 19.690 | 0.722 | 0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 310 | ASN | 0 | -0.067 | -0.028 | 22.958 | 1.161 | 1.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 311 | LYS | 1 | 0.897 | 0.942 | 19.766 | 15.547 | 15.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 312 | TRP | 0 | -0.011 | -0.012 | 23.634 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 313 | ASN | 0 | 0.043 | 0.013 | 25.271 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 314 | LYS | 1 | 0.935 | 0.971 | 27.320 | 11.412 | 11.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 315 | LEU | 0 | -0.039 | -0.013 | 25.589 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 316 | PHE | 0 | 0.080 | 0.025 | 28.713 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 317 | SER | 0 | -0.035 | 0.001 | 31.081 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 318 | GLU | -1 | -0.920 | -0.971 | 32.017 | -8.868 | -8.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 319 | TYR | 0 | -0.046 | -0.032 | 32.162 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 320 | GLN | 0 | -0.033 | -0.031 | 34.119 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 321 | LYS | 1 | 0.884 | 0.959 | 36.178 | 8.948 | 8.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 322 | LYS | 1 | 0.908 | 0.955 | 35.283 | 8.980 | 8.980 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 323 | PHE | 0 | -0.046 | -0.027 | 34.408 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 324 | PRO | 0 | 0.046 | 0.028 | 38.819 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 325 | GLU | -1 | -0.924 | -0.947 | 41.038 | -7.356 | -7.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 326 | LEU | 0 | 0.045 | 0.015 | 37.102 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 327 | GLY | 0 | -0.005 | -0.010 | 36.407 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 328 | ALA | 0 | 0.019 | 0.005 | 37.469 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 329 | GLU | -1 | -0.871 | -0.906 | 39.466 | -8.158 | -8.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 330 | LEU | 0 | 0.005 | 0.001 | 31.800 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 331 | ALA | 0 | 0.011 | -0.001 | 35.812 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 332 | ARG | 1 | 0.787 | 0.865 | 36.985 | 7.784 | 7.784 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 333 | ARG | 1 | 0.853 | 0.919 | 35.455 | 8.948 | 8.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 334 | LEU | 0 | -0.043 | -0.032 | 31.362 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 335 | SER | 0 | -0.090 | -0.044 | 34.931 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 336 | GLY | 0 | -0.001 | 0.004 | 37.381 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 337 | GLN | 0 | -0.057 | -0.015 | 38.481 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 338 | LEU | 0 | 0.036 | 0.023 | 41.800 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 339 | PRO | 0 | -0.043 | -0.025 | 44.222 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 340 | ALA | 0 | 0.028 | 0.010 | 46.546 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 341 | ASN | 0 | 0.005 | -0.002 | 49.486 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 342 | TRP | 0 | -0.003 | 0.008 | 48.592 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 343 | GLU | -1 | -0.829 | -0.925 | 50.688 | -6.192 | -6.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 344 | SER | 0 | -0.082 | -0.047 | 53.223 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 345 | LYS | 1 | 0.890 | 0.946 | 51.439 | 6.276 | 6.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 346 | LEU | 0 | -0.014 | 0.001 | 51.980 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 347 | PRO | 0 | -0.005 | 0.012 | 55.260 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 348 | THR | 0 | -0.010 | 0.005 | 58.260 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 349 | TYR | 0 | -0.005 | 0.002 | 59.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 350 | THR | 0 | -0.017 | -0.021 | 64.606 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 351 | ALA | 0 | 0.027 | 0.014 | 68.235 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 352 | LYS | 1 | 0.905 | 0.948 | 70.818 | 4.431 | 4.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 353 | ASP | -1 | -0.820 | -0.878 | 66.868 | -4.841 | -4.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 354 | SER | 0 | -0.005 | -0.017 | 67.269 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 355 | ALA | 0 | 0.007 | 0.011 | 66.675 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 356 | VAL | 0 | -0.028 | -0.017 | 61.069 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 357 | ALA | 0 | -0.002 | 0.023 | 60.216 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 358 | THR | 0 | 0.056 | 0.041 | 57.738 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 359 | ARG | 1 | 0.895 | 0.957 | 54.215 | 5.677 | 5.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 360 | LYS | 1 | 0.814 | 0.890 | 55.053 | 5.628 | 5.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 361 | LEU | 0 | 0.022 | 0.026 | 57.066 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 362 | SER | 0 | 0.049 | 0.030 | 51.777 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 363 | GLU | -1 | -0.827 | -0.897 | 52.259 | -6.003 | -6.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 364 | THR | 0 | -0.015 | -0.015 | 52.989 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 365 | VAL | 0 | 0.017 | 0.008 | 51.318 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 366 | LEU | 0 | -0.043 | -0.014 | 47.251 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 367 | GLU | -1 | -0.850 | -0.942 | 49.470 | -6.428 | -6.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 368 | ASP | -1 | -0.896 | -0.929 | 51.462 | -5.933 | -5.933 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 369 | VAL | 0 | -0.042 | -0.032 | 47.820 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 370 | TYR | 0 | 0.004 | 0.001 | 45.502 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 371 | ASN | 0 | -0.048 | -0.021 | 45.170 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 372 | GLN | 0 | -0.013 | -0.001 | 46.453 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 373 | LEU | 0 | -0.001 | 0.006 | 43.755 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 374 | PRO | 0 | 0.024 | 0.015 | 39.952 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 375 | GLU | -1 | -0.764 | -0.848 | 38.219 | -8.137 | -8.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 376 | LEU | 0 | -0.028 | 0.003 | 38.914 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 377 | ILE | 0 | -0.012 | -0.001 | 36.428 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 378 | GLY | 0 | 0.078 | 0.027 | 39.812 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 379 | GLY | 0 | 0.057 | 0.010 | 40.584 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 380 | SER | 0 | -0.079 | -0.034 | 42.179 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 381 | ALA | 0 | 0.037 | 0.017 | 42.483 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 382 | ASP | -1 | -0.960 | -0.983 | 43.460 | -7.011 | -7.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 383 | LEU | 0 | 0.030 | 0.035 | 45.363 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 384 | THR | 0 | 0.005 | -0.005 | 45.935 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 385 | PRO | 0 | -0.003 | -0.012 | 48.338 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 386 | SER | 0 | -0.026 | -0.010 | 51.462 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 387 | ASN | 0 | 0.017 | -0.016 | 48.267 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 388 | LEU | 0 | -0.055 | -0.022 | 51.329 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 389 | THR | 0 | 0.052 | 0.024 | 46.065 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 390 | ARG | 1 | 0.749 | 0.886 | 44.532 | 6.988 | 6.988 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 391 | TRP | 0 | 0.060 | 0.050 | 42.713 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 392 | LYS | 1 | 0.955 | 0.954 | 48.584 | 5.860 | 5.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 393 | GLU | -1 | -0.962 | -0.987 | 48.800 | -6.434 | -6.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 394 | ALA | 0 | -0.035 | 0.006 | 44.312 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 395 | LEU | 0 | 0.005 | 0.015 | 39.178 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 396 | ASP | -1 | -0.712 | -0.844 | 40.423 | -7.627 | -7.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 397 | PHE | 0 | -0.041 | -0.015 | 30.993 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 398 | GLN | 0 | 0.037 | 0.021 | 35.263 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 399 | PRO | 0 | 0.044 | 0.036 | 31.425 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 400 | PRO | 0 | 0.008 | 0.006 | 31.354 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 401 | SER | 0 | -0.045 | -0.022 | 31.696 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 402 | SER | 0 | -0.001 | -0.006 | 34.496 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 403 | GLY | 0 | -0.008 | 0.001 | 37.079 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 404 | SER | 0 | -0.035 | -0.022 | 39.302 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 405 | GLY | 0 | 0.015 | -0.002 | 38.973 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 406 | ASN | 0 | -0.017 | 0.016 | 34.794 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 407 | TYR | 0 | 0.056 | 0.004 | 28.926 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 408 | SER | 0 | -0.017 | -0.014 | 33.432 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 409 | GLY | 0 | -0.036 | -0.017 | 35.860 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 410 | ARG | 1 | 0.818 | 0.891 | 37.142 | 7.626 | 7.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 411 | TYR | 0 | -0.012 | 0.008 | 39.631 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 412 | ILE | 0 | 0.018 | 0.006 | 36.087 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 413 | ARG | 1 | 0.816 | 0.881 | 39.051 | 7.612 | 7.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 414 | TYR | 0 | 0.068 | 0.030 | 35.977 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 415 | GLY | 0 | 0.037 | 0.028 | 38.817 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 416 | ILE | 0 | 0.004 | -0.002 | 41.447 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 417 | ARG | 1 | 0.846 | 0.919 | 35.954 | 8.687 | 8.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 418 | GLU | -1 | -0.800 | -0.906 | 39.249 | -7.506 | -7.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 419 | HIS | 0 | 0.018 | 0.013 | 38.153 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 420 | ALA | 0 | 0.026 | 0.001 | 34.500 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 421 | MET | 0 | -0.067 | -0.007 | 35.321 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 422 | GLY | 0 | 0.033 | 0.005 | 37.241 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 423 | ALA | 0 | -0.006 | 0.002 | 32.670 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 424 | ILE | 0 | -0.002 | 0.002 | 31.766 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 425 | MET | 0 | -0.034 | -0.004 | 33.421 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 426 | ASN | 0 | 0.057 | 0.046 | 33.857 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 427 | GLY | 0 | 0.008 | 0.000 | 30.367 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 428 | ILE | 0 | -0.046 | -0.025 | 30.420 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 429 | SER | 0 | -0.039 | -0.018 | 32.598 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 430 | ALA | 0 | -0.007 | -0.005 | 30.115 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 431 | PHE | 0 | -0.033 | 0.002 | 25.791 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 432 | GLY | 0 | 0.084 | 0.050 | 29.064 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 433 | ALA | 0 | -0.022 | -0.025 | 31.876 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 434 | ASN | 0 | -0.011 | -0.012 | 33.808 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 435 | TYR | 0 | -0.003 | -0.011 | 31.966 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 436 | LYS | 1 | 0.845 | 0.928 | 36.638 | 7.891 | 7.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 437 | PRO | 0 | -0.015 | 0.005 | 36.360 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 438 | TYR | 0 | -0.010 | -0.018 | 39.080 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 439 | GLY | 0 | 0.051 | 0.008 | 41.948 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 440 | GLY | 0 | -0.044 | -0.015 | 43.015 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 441 | THR | 0 | 0.004 | -0.010 | 45.409 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 442 | PHE | 0 | -0.006 | -0.004 | 47.464 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 443 | LEU | 0 | 0.039 | 0.013 | 49.496 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 444 | ASN | 0 | -0.037 | -0.014 | 50.030 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 445 | PHE | 0 | 0.023 | 0.006 | 47.071 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 446 | VAL | 0 | 0.023 | 0.019 | 45.081 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 447 | SER | 0 | 0.002 | -0.005 | 45.012 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 448 | TYR | 0 | -0.016 | -0.009 | 43.144 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 449 | ALA | 0 | -0.010 | -0.001 | 40.733 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 450 | ALA | 0 | 0.002 | 0.005 | 40.796 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 451 | GLY | 0 | -0.004 | 0.005 | 38.870 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 452 | ALA | 0 | 0.052 | 0.021 | 36.669 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 453 | VAL | 0 | 0.000 | 0.006 | 37.634 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 454 | ARG | 1 | 0.968 | 0.983 | 40.302 | 7.732 | 7.732 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 455 | LEU | 0 | -0.014 | -0.009 | 33.594 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 456 | SER | 0 | 0.008 | -0.014 | 36.965 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 457 | ALA | 0 | -0.022 | -0.005 | 38.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 458 | LEU | 0 | -0.047 | -0.019 | 36.925 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 459 | SER | 0 | -0.018 | -0.012 | 34.732 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 460 | GLY | 0 | 0.017 | 0.022 | 36.610 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 461 | HIS | 0 | -0.017 | -0.011 | 32.953 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 462 | PRO | 0 | -0.049 | -0.014 | 37.818 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 463 | VAL | 0 | 0.004 | 0.006 | 37.687 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 464 | ILE | 0 | -0.011 | -0.010 | 40.538 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 465 | TRP | 0 | 0.012 | 0.002 | 40.669 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 466 | VAL | 0 | 0.011 | 0.001 | 45.608 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 467 | ALA | 0 | 0.025 | 0.014 | 48.427 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 468 | THR | 0 | 0.002 | 0.005 | 50.074 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 469 | HIS | 0 | -0.021 | -0.016 | 53.090 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 470 | ASP | -1 | -0.681 | -0.825 | 55.240 | -5.517 | -5.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 471 | SER | 0 | 0.018 | 0.010 | 56.266 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 472 | ILE | 0 | 0.072 | 0.010 | 59.168 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 473 | GLY | 0 | -0.018 | -0.004 | 61.996 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 474 | VAL | 0 | -0.096 | -0.044 | 57.411 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 475 | GLY | 0 | -0.001 | 0.008 | 60.666 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 476 | GLU | -1 | -0.819 | -0.925 | 62.881 | -5.000 | -5.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 477 | ASP | -1 | -0.871 | -0.928 | 56.762 | -5.714 | -5.714 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 478 | GLY | 0 | -0.028 | -0.009 | 58.961 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 479 | PRO | 0 | -0.009 | -0.008 | 59.072 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 480 | THR | 0 | 0.006 | 0.007 | 54.934 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 481 | HIS | 1 | 0.887 | 0.937 | 54.252 | 5.729 | 5.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 482 | GLN | 0 | -0.050 | -0.017 | 55.769 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 483 | PRO | 0 | 0.009 | 0.014 | 54.101 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 484 | ILE | 0 | -0.023 | -0.008 | 56.255 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 485 | GLU | -1 | -0.767 | -0.892 | 53.040 | -5.976 | -5.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 486 | THR | 0 | -0.050 | -0.032 | 50.669 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 487 | LEU | 0 | 0.027 | 0.010 | 51.929 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 488 | ALA | 0 | 0.021 | 0.012 | 53.736 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 489 | HIS | 0 | -0.006 | 0.013 | 46.762 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 490 | PHE | 0 | 0.026 | 0.000 | 45.255 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 491 | ARG | 1 | 0.788 | 0.833 | 49.765 | 5.629 | 5.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 492 | SER | 0 | -0.046 | -0.023 | 51.446 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 493 | LEU | 0 | -0.063 | -0.016 | 43.746 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 494 | PRO | 0 | -0.017 | -0.022 | 45.681 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 495 | ASN | 0 | -0.028 | -0.016 | 41.987 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 496 | ILE | 0 | 0.015 | 0.002 | 44.306 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 497 | GLN | 0 | -0.005 | 0.020 | 46.248 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 498 | VAL | 0 | -0.048 | -0.035 | 48.822 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 499 | TRP | 0 | 0.002 | -0.003 | 50.432 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 500 | ARG | 1 | 0.713 | 0.827 | 53.525 | 5.366 | 5.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 501 | PRO | 0 | 0.016 | 0.004 | 55.141 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 502 | ALA | 0 | -0.021 | -0.008 | 58.235 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 503 | ASP | -1 | -0.754 | -0.854 | 61.388 | -5.114 | -5.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 504 | GLY | 0 | 0.034 | -0.001 | 59.745 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 505 | ASN | 0 | -0.030 | -0.028 | 59.020 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 506 | GLU | -1 | -0.749 | -0.846 | 58.840 | -5.387 | -5.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 507 | VAL | 0 | -0.066 | -0.030 | 54.601 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 508 | SER | 0 | 0.017 | -0.013 | 54.328 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 509 | ALA | 0 | 0.004 | 0.006 | 54.065 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 510 | ALA | 0 | 0.011 | 0.013 | 52.620 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 511 | TYR | 0 | -0.010 | -0.016 | 47.936 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 512 | LYS | 1 | 0.807 | 0.894 | 49.237 | 6.043 | 6.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 513 | ASN | 0 | 0.017 | -0.003 | 49.294 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 514 | SER | 0 | -0.022 | -0.017 | 46.727 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 515 | LEU | 0 | -0.011 | 0.003 | 44.225 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 516 | GLU | -1 | -0.804 | -0.877 | 44.370 | -6.642 | -6.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 517 | SER | 0 | -0.082 | -0.037 | 44.113 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 518 | LYS | 1 | 0.939 | 0.951 | 40.546 | 7.508 | 7.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 519 | HIS | 0 | -0.003 | -0.007 | 39.173 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 520 | THR | 0 | 0.001 | 0.012 | 41.294 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 521 | PRO | 0 | 0.017 | 0.050 | 41.265 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 522 | SER | 0 | -0.026 | -0.038 | 43.085 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 523 | ILE | 0 | -0.007 | 0.002 | 45.664 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 524 | ILE | 0 | 0.012 | 0.007 | 48.205 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 525 | ALA | 0 | -0.010 | -0.002 | 51.038 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 526 | LEU | 0 | -0.028 | -0.027 | 52.265 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 527 | SER | 0 | -0.022 | -0.019 | 55.504 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 528 | ARG | 1 | 0.783 | 0.859 | 58.067 | 5.429 | 5.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 529 | GLN | 0 | 0.077 | 0.055 | 59.628 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 530 | ASN | 0 | -0.012 | -0.024 | 62.931 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 531 | LEU | 0 | -0.007 | 0.011 | 62.119 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 532 | PRO | 0 | 0.007 | -0.002 | 65.657 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 533 | GLN | 0 | 0.033 | 0.012 | 63.723 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 534 | LEU | 0 | -0.049 | -0.031 | 65.070 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 535 | GLU | -1 | -0.893 | -0.950 | 68.212 | -4.568 | -4.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 536 | GLY | 0 | 0.020 | 0.011 | 69.576 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 537 | SER | 0 | -0.065 | -0.047 | 64.232 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 538 | SER | 0 | 0.033 | -0.002 | 63.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 539 | ILE | 0 | 0.041 | 0.024 | 56.946 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 540 | GLU | -1 | -0.871 | -0.908 | 58.623 | -5.291 | -5.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 541 | SER | 0 | 0.004 | -0.015 | 59.724 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 542 | ALA | 0 | 0.014 | 0.014 | 58.983 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 543 | SER | 0 | -0.005 | -0.021 | 55.381 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 544 | LYS | 1 | 0.833 | 0.929 | 55.704 | 5.144 | 5.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 545 | GLY | 0 | 0.022 | 0.001 | 56.773 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 546 | GLY | 0 | -0.016 | -0.020 | 57.347 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 547 | TYR | 0 | -0.056 | -0.039 | 61.072 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 548 | VAL | 0 | 0.015 | 0.001 | 64.435 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 549 | LEU | 0 | -0.037 | 0.004 | 66.647 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 550 | GLN | 0 | 0.022 | 0.001 | 68.683 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 551 | ASP | -1 | -0.780 | -0.872 | 72.468 | -4.399 | -4.399 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 552 | VAL | 0 | -0.028 | -0.028 | 74.422 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 553 | ALA | 0 | 0.022 | 0.021 | 77.953 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 554 | ASN | 0 | -0.045 | -0.033 | 79.753 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 555 | PRO | 0 | 0.015 | 0.011 | 75.985 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 556 | ASP | -1 | -0.847 | -0.915 | 79.016 | -3.950 | -3.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 557 | ILE | 0 | -0.044 | -0.031 | 74.420 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 558 | ILE | 0 | -0.012 | 0.001 | 69.956 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 559 | LEU | 0 | -0.015 | 0.001 | 71.016 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 560 | VAL | 0 | 0.004 | 0.005 | 64.719 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 561 | ALA | 0 | 0.017 | 0.012 | 64.832 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 562 | THR | 0 | 0.029 | -0.009 | 59.495 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 563 | GLY | 0 | 0.056 | 0.028 | 60.667 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 564 | SER | 0 | -0.017 | -0.056 | 61.384 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 565 | GLU | -1 | -0.752 | -0.831 | 63.546 | -5.041 | -5.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 566 | VAL | 0 | 0.018 | 0.038 | 63.801 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 567 | SER | 0 | 0.030 | 0.004 | 66.726 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 568 | LEU | 0 | -0.033 | -0.009 | 68.645 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 569 | SER | 0 | 0.005 | -0.016 | 68.977 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 570 | VAL | 0 | -0.001 | 0.009 | 70.562 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 571 | GLU | -1 | -0.825 | -0.904 | 72.952 | -4.280 | -4.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 572 | ALA | 0 | 0.000 | -0.002 | 74.244 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 573 | ALA | 0 | 0.006 | -0.001 | 75.173 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 574 | LYS | 1 | 0.836 | 0.917 | 75.545 | 4.368 | 4.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 575 | THR | 0 | -0.033 | -0.022 | 78.721 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 576 | LEU | 0 | -0.056 | -0.027 | 77.375 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 577 | ALA | 0 | 0.041 | 0.033 | 81.013 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 578 | ALA | 0 | -0.035 | -0.016 | 82.867 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 579 | LYS | 1 | 0.854 | 0.925 | 83.484 | 3.955 | 3.955 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 580 | ASN | 0 | -0.063 | -0.033 | 86.283 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 581 | ILE | 0 | -0.032 | 0.001 | 80.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 582 | LYS | 1 | 0.854 | 0.928 | 80.202 | 3.894 | 3.894 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 583 | ALA | 0 | 0.017 | -0.001 | 75.509 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 584 | ARG | 1 | 0.852 | 0.923 | 71.490 | 4.460 | 4.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 585 | VAL | 0 | -0.026 | -0.016 | 68.955 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 586 | VAL | 0 | -0.004 | -0.003 | 65.162 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 587 | SER | 0 | -0.025 | -0.022 | 62.755 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 588 | LEU | 0 | -0.012 | -0.017 | 60.122 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 589 | PRO | 0 | -0.026 | 0.001 | 57.665 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 590 | ASP | -1 | -0.667 | -0.825 | 52.405 | -6.318 | -6.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 591 | PHE | 0 | 0.008 | 0.006 | 54.884 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 592 | PHE | 0 | -0.002 | 0.013 | 47.721 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 593 | THR | 0 | -0.032 | -0.054 | 52.423 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 594 | PHE | 0 | -0.017 | 0.014 | 53.882 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 595 | ASP | -1 | -0.792 | -0.864 | 54.820 | -5.660 | -5.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 596 | LYS | 1 | 0.870 | 0.939 | 49.395 | 6.455 | 6.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 597 | GLN | 0 | -0.026 | 0.007 | 54.583 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 598 | PRO | 0 | 0.044 | 0.023 | 57.943 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 599 | LEU | 0 | 0.019 | -0.003 | 60.160 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 600 | GLU | -1 | -0.914 | -0.958 | 62.586 | -4.995 | -4.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 601 | TYR | 0 | -0.004 | -0.013 | 61.665 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 602 | ARG | 1 | 0.910 | 0.963 | 58.594 | 5.581 | 5.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 603 | LEU | 0 | -0.005 | -0.013 | 63.803 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 604 | SER | 0 | -0.085 | -0.048 | 66.727 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 605 | VAL | 0 | -0.024 | -0.008 | 64.625 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 606 | LEU | 0 | -0.033 | -0.017 | 64.551 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 607 | PRO | 0 | 0.030 | 0.034 | 68.352 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 608 | ASP | -1 | -0.819 | -0.909 | 71.174 | -4.563 | -4.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 609 | ASN | 0 | -0.078 | -0.053 | 73.412 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 610 | VAL | 0 | 0.011 | 0.023 | 73.743 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 611 | PRO | 0 | -0.004 | 0.008 | 74.245 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 612 | ILE | 0 | 0.008 | 0.005 | 68.333 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 613 | MET | 0 | -0.043 | -0.015 | 70.612 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 614 | SER | 0 | 0.029 | 0.016 | 65.036 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 615 | VAL | 0 | -0.034 | -0.022 | 66.610 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 616 | GLU | -1 | -0.701 | -0.796 | 60.044 | -5.516 | -5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 617 | VAL | 0 | -0.071 | -0.028 | 62.016 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 618 | LEU | 0 | -0.042 | -0.025 | 57.281 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 619 | ALA | 0 | 0.014 | 0.015 | 58.965 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 620 | THR | 0 | -0.058 | -0.048 | 60.827 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 621 | THR | 0 | -0.022 | -0.014 | 59.062 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 622 | CYS | 0 | -0.002 | 0.027 | 57.226 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 623 | TRP | 0 | 0.030 | -0.014 | 59.136 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 624 | GLY | 0 | 0.016 | 0.016 | 62.347 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 625 | LYS | 1 | 0.798 | 0.891 | 55.946 | 5.769 | 5.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 626 | TYR | 0 | -0.075 | -0.083 | 58.006 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 627 | ALA | 0 | -0.004 | -0.007 | 64.264 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 628 | HIS | 0 | 0.005 | 0.002 | 67.351 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 629 | GLN | 0 | 0.017 | 0.019 | 70.297 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 630 | SER | 0 | 0.017 | -0.004 | 66.102 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 631 | PHE | 0 | -0.056 | -0.024 | 68.176 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 632 | GLY | 0 | 0.081 | 0.010 | 65.161 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 633 | ILE | 0 | -0.107 | -0.044 | 63.626 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 634 | ASP | -1 | -0.790 | -0.868 | 62.460 | -5.243 | -5.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 635 | ARG | 1 | 0.863 | 0.925 | 62.793 | 4.910 | 4.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 636 | PHE | 0 | 0.051 | 0.030 | 56.778 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 637 | GLY | 0 | 0.069 | 0.033 | 61.247 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 638 | ALA | 0 | -0.021 | -0.026 | 63.155 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 639 | SER | 0 | -0.048 | -0.018 | 63.427 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 640 | GLY | 0 | 0.047 | 0.018 | 64.859 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 641 | LYS | 1 | 0.914 | 0.972 | 66.358 | 4.627 | 4.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 642 | ALA | 0 | 0.066 | 0.039 | 64.724 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 643 | PRO | 0 | -0.022 | -0.025 | 66.662 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 644 | GLU | -1 | -0.906 | -0.960 | 70.145 | -4.469 | -4.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 645 | VAL | 0 | 0.011 | 0.005 | 65.399 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 646 | PHE | 0 | 0.025 | 0.003 | 64.250 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 647 | LYS | 1 | 0.925 | 0.969 | 69.169 | 4.416 | 4.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 648 | PHE | 0 | -0.043 | -0.004 | 69.133 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 649 | PHE | 0 | 0.013 | 0.001 | 66.040 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 650 | GLY | 0 | -0.005 | 0.001 | 70.463 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 651 | PHE | 0 | -0.017 | -0.021 | 67.290 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 652 | THR | 0 | -0.061 | -0.054 | 71.298 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 653 | PRO | 0 | 0.044 | 0.019 | 74.215 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 654 | GLU | -1 | -0.809 | -0.892 | 75.842 | -4.176 | -4.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 655 | GLY | 0 | 0.008 | 0.021 | 75.786 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 656 | VAL | 0 | 0.012 | 0.006 | 71.736 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 657 | ALA | 0 | 0.043 | 0.016 | 74.536 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 658 | GLU | -1 | -0.901 | -0.952 | 77.850 | -4.046 | -4.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 659 | ARG | 1 | 0.885 | 0.937 | 72.992 | 4.430 | 4.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 660 | ALA | 0 | 0.067 | 0.041 | 75.737 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 661 | GLN | 0 | 0.020 | 0.002 | 76.929 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 662 | LYS | 1 | 0.845 | 0.926 | 78.250 | 4.087 | 4.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 663 | THR | 0 | 0.011 | -0.002 | 74.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 664 | ILE | 0 | -0.026 | -0.015 | 77.481 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 665 | ALA | 0 | -0.062 | -0.037 | 80.064 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 666 | PHE | 0 | -0.058 | -0.026 | 76.077 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 667 | TYR | 0 | 0.028 | 0.019 | 73.566 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 668 | LYS | 1 | 0.886 | 0.942 | 80.040 | 3.865 | 3.865 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 669 | GLY | 0 | 0.001 | 0.002 | 83.217 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 670 | ASP | -1 | -0.870 | -0.921 | 79.088 | -4.050 | -4.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 671 | LYS | 1 | 0.917 | 0.953 | 76.349 | 4.226 | 4.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 672 | LEU | 0 | 0.015 | 0.022 | 74.534 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 673 | ILE | 0 | -0.018 | -0.018 | 70.398 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 674 | SER | 0 | 0.019 | -0.005 | 67.842 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 675 | PRO | 0 | 0.013 | 0.014 | 65.646 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 676 | LEU | 0 | 0.012 | 0.014 | 62.237 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 677 | LYS | 1 | 0.797 | 0.899 | 63.321 | 4.545 | 4.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 678 | LYS | 1 | 0.856 | 0.926 | 60.521 | 5.230 | 5.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 679 | ALA | 0 | -0.023 | -0.018 | 64.358 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 680 | PHE | -1 | -0.919 | -0.942 | 59.674 | -5.363 | -5.363 | 0.000 | 0.000 | 0.000 | 0.000 |