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: 1VQ5Z
Calculation Name: 2DY1-A-Xray549
Preferred Name:
Target Type:
Ligand Name: guanosine-5'-triphosphate
Ligand 3-letter code: GTP
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2DY1
Chain ID: A
UniProt ID: Q5SI76
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 | 660 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13871289.963525 |
|---|---|
| FMO2-HF: Nuclear repulsion | 13620577.137214 |
| FMO2-HF: Total energy | -250712.826311 |
| FMO2-MP2: Total energy | -251459.087392 |
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:6:GLY)
Summations of interaction energy for
fragment #1(A:6:GLY)
| 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. |
| -210.769 | -208.831 | 10.406 | -5.97 | -6.371 | -0.071 |
Interaction energy analysis for fragmet #1(A:6:GLY)
| 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 | 8 | MET | 0 | -0.004 | 0.024 | 2.738 | 9.988 | 12.619 | 0.122 | -1.154 | -1.598 | -0.007 |
| 4 | A | 9 | ILE | 0 | 0.014 | 0.018 | 5.152 | 2.636 | 2.731 | -0.001 | -0.010 | -0.083 | 0.000 |
| 68 | A | 73 | GLY | 0 | 0.006 | 0.006 | 4.211 | -7.502 | -7.265 | -0.001 | -0.037 | -0.199 | 0.000 |
| 69 | A | 74 | HIS | 0 | -0.015 | 0.013 | 2.108 | -44.503 | -45.578 | 10.287 | -4.768 | -4.444 | -0.064 |
| 70 | A | 75 | ARG | 1 | 0.969 | 0.978 | 5.385 | 36.054 | 36.104 | -0.001 | -0.001 | -0.047 | 0.000 |
| 5 | A | 10 | ARG | 1 | 0.883 | 0.935 | 7.154 | 35.471 | 35.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 11 | THR | 0 | -0.009 | -0.001 | 11.517 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 12 | VAL | 0 | 0.005 | 0.008 | 14.413 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 13 | ALA | 0 | 0.009 | 0.014 | 17.194 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 14 | LEU | 0 | -0.019 | 0.008 | 20.747 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 15 | VAL | 0 | -0.004 | -0.014 | 22.199 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 16 | GLY | 0 | 0.111 | 0.043 | 25.603 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 17 | HIS | 0 | 0.026 | 0.036 | 28.603 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 18 | ALA | 0 | 0.010 | 0.016 | 31.362 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 19 | GLY | 0 | 0.034 | 0.013 | 33.140 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 20 | SER | 0 | -0.021 | -0.026 | 28.833 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 21 | GLY | 0 | 0.010 | 0.008 | 28.333 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 22 | LYS | 1 | 0.853 | 0.943 | 24.994 | 11.040 | 11.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 23 | THR | 0 | 0.064 | 0.022 | 24.440 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 24 | THR | 0 | -0.012 | -0.011 | 25.407 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 25 | LEU | 0 | 0.006 | 0.010 | 20.627 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 26 | THR | 0 | -0.013 | -0.020 | 20.817 | -0.873 | -0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 27 | GLU | -1 | -0.781 | -0.864 | 20.866 | -13.037 | -13.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 28 | ALA | 0 | 0.023 | 0.024 | 22.008 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 29 | LEU | 0 | 0.002 | 0.011 | 15.805 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 30 | LEU | 0 | 0.000 | 0.010 | 17.153 | -0.911 | -0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 31 | TYR | 0 | -0.053 | -0.017 | 18.902 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 32 | LYS | 1 | 0.855 | 0.910 | 17.456 | 14.653 | 14.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 33 | THR | 0 | -0.077 | -0.056 | 13.073 | -0.744 | -0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 34 | GLY | 0 | -0.022 | -0.004 | 14.895 | -0.715 | -0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 35 | ALA | 0 | -0.041 | -0.009 | 16.531 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 36 | LYS | 1 | 0.793 | 0.858 | 18.169 | 13.389 | 13.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 37 | GLU | -1 | -0.914 | -0.961 | 21.901 | -12.385 | -12.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 38 | ARG | 1 | 0.914 | 0.954 | 24.192 | 10.646 | 10.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 39 | ARG | 1 | 0.815 | 0.923 | 24.415 | 11.374 | 11.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 40 | GLY | 0 | 0.000 | 0.003 | 25.655 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 41 | ARG | 1 | 0.902 | 0.954 | 28.240 | 10.061 | 10.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 42 | VAL | 0 | 0.046 | 0.022 | 30.044 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 43 | GLU | -1 | -0.856 | -0.946 | 32.354 | -9.431 | -9.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 44 | GLU | -1 | -0.899 | -0.953 | 33.978 | -8.966 | -8.966 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 45 | GLY | 0 | -0.046 | -0.014 | 33.840 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 46 | THR | 0 | -0.034 | -0.029 | 31.080 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 47 | THR | 0 | -0.036 | -0.007 | 27.305 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 48 | THR | 0 | 0.019 | 0.011 | 22.795 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 49 | THR | 0 | -0.040 | -0.036 | 25.226 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 50 | ASP | -1 | -0.815 | -0.897 | 26.880 | -10.220 | -10.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 51 | TYR | 0 | -0.087 | -0.071 | 28.143 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 52 | THR | 0 | -0.029 | -0.017 | 31.540 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 53 | PRO | 0 | 0.006 | -0.003 | 34.583 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 54 | GLU | 0 | 0.006 | -0.018 | 37.184 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 55 | ALA | 0 | 0.003 | 0.003 | 33.113 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 56 | LYS | 1 | 0.921 | 0.972 | 33.822 | 9.215 | 9.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 57 | LEU | 0 | -0.036 | 0.003 | 36.419 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 58 | HIS | 1 | 0.787 | 0.854 | 38.382 | 8.003 | 8.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 59 | ARG | 1 | 0.785 | 0.893 | 35.896 | 8.561 | 8.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 60 | THR | 0 | -0.010 | -0.007 | 33.515 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 61 | THR | 0 | 0.038 | 0.011 | 28.294 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 62 | VAL | 0 | -0.067 | -0.027 | 31.575 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 63 | ARG | 1 | 0.805 | 0.887 | 30.993 | 9.885 | 9.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 64 | THR | 0 | -0.007 | -0.010 | 25.027 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 65 | GLY | 0 | 0.007 | 0.022 | 25.308 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 66 | VAL | 0 | -0.029 | -0.015 | 19.393 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 67 | ALA | 0 | 0.050 | 0.017 | 18.932 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 68 | PRO | 0 | -0.016 | -0.005 | 15.533 | -0.898 | -0.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 69 | LEU | 0 | 0.007 | 0.015 | 13.256 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 70 | LEU | 0 | -0.008 | -0.008 | 8.580 | -2.071 | -2.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 71 | PHE | 0 | 0.050 | 0.011 | 8.385 | 1.782 | 1.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 72 | ARG | 1 | 0.873 | 0.925 | 6.365 | 23.990 | 23.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 76 | VAL | 0 | 0.022 | 0.012 | 9.078 | -1.008 | -1.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 77 | PHE | 0 | 0.013 | 0.009 | 12.016 | 1.733 | 1.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 78 | LEU | 0 | 0.013 | 0.016 | 15.285 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 79 | LEU | 0 | -0.018 | -0.013 | 17.692 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 80 | ASP | -1 | -0.725 | -0.831 | 21.244 | -12.597 | -12.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 81 | ALA | 0 | 0.039 | 0.014 | 23.757 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 82 | PRO | 0 | 0.004 | -0.009 | 26.758 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 83 | GLY | 0 | -0.001 | 0.005 | 29.948 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 84 | TYR | 0 | -0.035 | -0.024 | 32.030 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 85 | GLY | 0 | -0.002 | -0.010 | 34.921 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 86 | ASP | -1 | -0.840 | -0.928 | 36.913 | -8.080 | -8.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 87 | PHE | 0 | 0.081 | 0.026 | 33.695 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 88 | VAL | 0 | 0.000 | 0.003 | 33.067 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 89 | GLY | 0 | 0.054 | 0.014 | 32.600 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 90 | GLU | -1 | -0.777 | -0.867 | 30.156 | -11.138 | -11.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 91 | ILE | 0 | -0.027 | -0.005 | 28.342 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 92 | ARG | 1 | 0.902 | 0.936 | 27.578 | 9.209 | 9.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 93 | GLY | 0 | 0.041 | 0.031 | 27.655 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 94 | ALA | 0 | -0.021 | -0.019 | 24.065 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 95 | LEU | 0 | -0.001 | -0.012 | 22.870 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 96 | GLU | -1 | -0.785 | -0.871 | 23.442 | -11.560 | -11.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 97 | ALA | 0 | 0.019 | 0.024 | 21.617 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 98 | ALA | 0 | -0.033 | 0.000 | 18.710 | -0.997 | -0.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 99 | ASP | -1 | -0.728 | -0.842 | 15.555 | -18.742 | -18.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 100 | ALA | 0 | 0.022 | 0.013 | 16.384 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 101 | ALA | 0 | -0.012 | -0.008 | 18.269 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 102 | LEU | 0 | -0.005 | 0.001 | 17.926 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 103 | VAL | 0 | -0.014 | -0.021 | 20.648 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 104 | ALA | 0 | 0.000 | 0.004 | 24.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 105 | VAL | 0 | -0.029 | -0.017 | 25.840 | 0.495 | 0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 106 | SER | 0 | 0.002 | 0.006 | 28.758 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 107 | ALA | 0 | 0.062 | 0.014 | 30.797 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 108 | GLU | -1 | -0.865 | -0.910 | 32.281 | -8.483 | -8.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 109 | ALA | 0 | -0.062 | -0.034 | 34.576 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 110 | GLY | 0 | 0.058 | 0.045 | 32.763 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 111 | VAL | 0 | 0.010 | 0.005 | 31.123 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 112 | GLN | 0 | 0.023 | 0.014 | 33.275 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 113 | VAL | 0 | 0.064 | 0.015 | 34.236 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 114 | GLY | 0 | -0.031 | -0.033 | 33.744 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 115 | THR | 0 | -0.006 | -0.011 | 29.060 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 116 | GLU | -1 | -0.793 | -0.890 | 30.280 | -9.913 | -9.913 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 117 | ARG | 1 | 0.851 | 0.938 | 32.246 | 8.820 | 8.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 118 | ALA | 0 | -0.011 | -0.006 | 27.566 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 119 | TRP | 0 | 0.081 | 0.044 | 25.318 | -0.547 | -0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 120 | THR | 0 | 0.021 | -0.003 | 28.361 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 121 | VAL | 0 | -0.121 | -0.064 | 27.890 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 122 | ALA | 0 | 0.042 | 0.013 | 24.226 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 123 | GLU | -1 | -0.861 | -0.898 | 25.358 | -11.308 | -11.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 124 | ARG | 1 | 0.907 | 0.945 | 27.407 | 9.718 | 9.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 125 | LEU | 0 | -0.064 | -0.020 | 24.905 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 126 | GLY | 0 | 0.008 | 0.011 | 24.491 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 127 | LEU | 0 | -0.062 | -0.023 | 20.439 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 128 | PRO | 0 | 0.013 | 0.027 | 17.519 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 129 | ARG | 1 | 0.797 | 0.881 | 20.041 | 12.579 | 12.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 130 | MET | 0 | 0.031 | 0.029 | 15.001 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 131 | VAL | 0 | -0.005 | 0.001 | 20.340 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 132 | VAL | 0 | -0.008 | -0.001 | 21.087 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 133 | VAL | 0 | 0.023 | 0.012 | 23.023 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 134 | THR | 0 | -0.012 | -0.022 | 25.278 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 135 | LYS | 1 | 0.885 | 0.923 | 27.566 | 10.083 | 10.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 136 | LEU | 0 | 0.064 | 0.046 | 29.229 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 137 | ASP | -1 | -0.909 | -0.965 | 30.800 | -9.997 | -9.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 138 | LYS | 1 | 0.763 | 0.852 | 32.804 | 8.983 | 8.983 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 139 | GLY | 0 | -0.008 | 0.006 | 35.028 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 140 | GLY | 0 | -0.008 | 0.007 | 35.001 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 141 | ASP | -1 | -0.853 | -0.937 | 34.862 | -9.047 | -9.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 142 | TYR | 0 | -0.012 | -0.043 | 25.236 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 143 | TYR | 0 | -0.008 | -0.021 | 30.850 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 144 | ALA | 0 | 0.086 | 0.048 | 33.347 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 145 | LEU | 0 | 0.020 | 0.018 | 30.108 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 146 | LEU | 0 | -0.008 | -0.008 | 27.178 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 147 | GLU | -1 | -0.945 | -0.958 | 30.868 | -8.843 | -8.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 148 | ASP | -1 | -0.894 | -0.934 | 34.084 | -8.702 | -8.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 149 | LEU | 0 | -0.062 | -0.041 | 27.599 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 150 | ARG | 1 | 0.869 | 0.938 | 27.803 | 10.740 | 10.740 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 151 | SER | 0 | -0.057 | -0.042 | 31.629 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 152 | THR | 0 | -0.087 | -0.041 | 33.043 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 153 | LEU | 0 | -0.048 | -0.031 | 27.903 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 154 | GLY | 0 | 0.062 | 0.042 | 29.384 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 155 | PRO | 0 | -0.009 | 0.009 | 26.330 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 156 | ILE | 0 | -0.051 | -0.023 | 25.234 | -0.678 | -0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 157 | LEU | 0 | 0.040 | 0.019 | 20.196 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 158 | PRO | 0 | -0.014 | -0.012 | 22.465 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 159 | ILE | 0 | 0.017 | 0.022 | 17.501 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 160 | ASP | -1 | -0.817 | -0.905 | 20.679 | -15.349 | -15.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 161 | LEU | 0 | -0.007 | 0.003 | 22.802 | 0.554 | 0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 162 | PRO | 0 | -0.018 | -0.011 | 25.742 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 163 | LEU | 0 | -0.004 | 0.011 | 27.344 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 164 | TYR | 0 | 0.016 | -0.019 | 29.011 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 165 | GLU | -1 | -0.792 | -0.864 | 31.506 | -10.014 | -10.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 166 | GLY | 0 | -0.008 | -0.012 | 34.796 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 167 | GLY | 0 | 0.009 | 0.007 | 37.006 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 168 | LYS | 1 | 0.944 | 0.983 | 33.229 | 9.352 | 9.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 169 | TRP | 0 | -0.001 | -0.015 | 25.918 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 170 | VAL | 0 | -0.051 | -0.036 | 29.402 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 171 | GLY | 0 | 0.011 | 0.000 | 25.524 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 172 | LEU | 0 | -0.017 | 0.024 | 20.581 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 173 | ILE | 0 | 0.006 | -0.012 | 24.300 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 174 | ASP | -1 | -0.774 | -0.849 | 17.938 | -17.054 | -17.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 175 | VAL | 0 | 0.030 | 0.011 | 21.455 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 176 | PHE | 0 | 0.010 | 0.008 | 17.480 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 177 | HIS | 1 | 0.810 | 0.868 | 15.356 | 19.020 | 19.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 178 | GLY | 0 | -0.024 | 0.001 | 20.438 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 179 | LYS | 1 | 0.821 | 0.906 | 19.737 | 15.350 | 15.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 180 | ALA | 0 | 0.021 | 0.010 | 23.120 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 181 | TYR | 0 | 0.038 | 0.016 | 18.844 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 182 | ARG | 1 | 0.739 | 0.824 | 23.861 | 10.745 | 10.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 183 | TYR | 0 | -0.016 | -0.052 | 19.856 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | GLU | -1 | -0.914 | -0.941 | 26.078 | -9.431 | -9.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | ASN | 0 | -0.068 | -0.044 | 27.386 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 186 | GLY | 0 | 0.086 | 0.036 | 24.634 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 187 | GLU | -1 | -0.926 | -0.945 | 21.807 | -15.084 | -15.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 188 | GLU | -1 | -0.851 | -0.898 | 18.686 | -16.317 | -16.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 189 | ARG | 1 | 0.875 | 0.929 | 22.618 | 12.223 | 12.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 190 | GLU | -1 | -0.812 | -0.881 | 21.864 | -14.262 | -14.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 191 | ALA | 0 | -0.056 | -0.038 | 23.793 | 0.514 | 0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 192 | GLU | -1 | -0.857 | -0.927 | 26.745 | -10.874 | -10.874 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 193 | VAL | 0 | 0.016 | 0.017 | 26.966 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 194 | PRO | 0 | 0.050 | 0.026 | 29.442 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 195 | PRO | 0 | 0.012 | -0.013 | 33.070 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 196 | GLU | -1 | -0.933 | -0.971 | 35.509 | -8.262 | -8.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 197 | GLU | -1 | -0.821 | -0.878 | 31.498 | -9.671 | -9.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 198 | ARG | 1 | 0.762 | 0.878 | 31.221 | 9.885 | 9.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 199 | GLU | -1 | -0.915 | -0.956 | 31.673 | -8.703 | -8.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 200 | ARG | 1 | 0.812 | 0.899 | 31.725 | 9.392 | 9.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 201 | VAL | 0 | 0.015 | -0.007 | 26.562 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 202 | GLN | 0 | -0.008 | -0.010 | 28.015 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 203 | ARG | 1 | 0.971 | 1.004 | 29.407 | 9.047 | 9.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 204 | PHE | 0 | 0.060 | 0.018 | 27.056 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 205 | ARG | 1 | 0.931 | 0.967 | 22.616 | 13.200 | 13.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 206 | GLN | 0 | -0.021 | -0.010 | 25.739 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 207 | GLU | -1 | -0.885 | -0.947 | 27.760 | -10.521 | -10.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 208 | VAL | 0 | -0.040 | -0.024 | 21.732 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 209 | LEU | 0 | -0.035 | -0.023 | 22.009 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 210 | GLU | -1 | -0.922 | -0.959 | 24.318 | -10.593 | -10.593 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 211 | ALA | 0 | 0.035 | 0.013 | 25.200 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 212 | ILE | 0 | -0.062 | -0.029 | 19.238 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 213 | VAL | 0 | -0.004 | 0.004 | 22.597 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 214 | GLU | -1 | -0.954 | -0.975 | 24.749 | -10.552 | -10.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 215 | THR | 0 | -0.124 | -0.069 | 22.446 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 216 | ASP | -1 | -0.916 | -0.964 | 21.288 | -15.018 | -15.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 217 | GLU | -1 | -0.936 | -0.967 | 23.534 | -11.146 | -11.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 218 | GLY | 0 | 0.039 | 0.026 | 24.530 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 219 | LEU | 0 | -0.072 | -0.053 | 20.471 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 220 | LEU | 0 | 0.011 | 0.007 | 24.765 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 221 | GLU | -1 | -0.962 | -0.976 | 28.131 | -10.365 | -10.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 222 | LYS | 1 | 0.861 | 0.908 | 23.939 | 12.636 | 12.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 223 | TYR | 0 | -0.029 | -0.020 | 27.873 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 224 | LEU | 0 | -0.070 | -0.025 | 29.694 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 225 | GLU | -1 | -0.989 | -0.986 | 31.978 | -9.462 | -9.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 226 | GLY | 0 | -0.057 | -0.020 | 31.917 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 227 | GLU | -1 | -0.895 | -0.929 | 28.093 | -11.408 | -11.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 228 | GLU | -1 | -1.002 | -1.000 | 23.727 | -13.414 | -13.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 229 | VAL | 0 | 0.029 | 0.001 | 22.151 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 230 | THR | 0 | 0.004 | 0.005 | 18.820 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 231 | GLY | 0 | 0.011 | 0.000 | 16.816 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 232 | GLU | -1 | -0.832 | -0.922 | 12.777 | -23.491 | -23.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 233 | ALA | 0 | -0.025 | -0.007 | 14.814 | -0.803 | -0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 234 | LEU | 0 | 0.041 | 0.025 | 17.560 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 235 | GLU | -1 | -0.938 | -0.972 | 11.564 | -25.500 | -25.500 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 236 | LYS | 1 | 0.847 | 0.916 | 11.625 | 23.207 | 23.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 237 | ALA | 0 | 0.052 | 0.036 | 14.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 238 | PHE | 0 | 0.042 | 0.016 | 14.647 | 0.465 | 0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 239 | HIS | 1 | 0.779 | 0.859 | 10.447 | 27.367 | 27.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 240 | GLU | -1 | -0.728 | -0.825 | 14.454 | -17.681 | -17.681 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 241 | ALA | 0 | 0.025 | 0.014 | 16.891 | 0.776 | 0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 242 | VAL | 0 | -0.043 | -0.010 | 16.400 | 0.727 | 0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 243 | ARG | 1 | 0.777 | 0.843 | 15.192 | 18.490 | 18.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 244 | ARG | 1 | 0.838 | 0.911 | 17.553 | 15.749 | 15.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 245 | GLY | 0 | -0.028 | -0.005 | 20.621 | 0.745 | 0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 246 | LEU | 0 | -0.013 | -0.010 | 22.276 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 247 | LEU | 0 | 0.015 | 0.014 | 20.847 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 248 | TYR | 0 | -0.036 | -0.026 | 21.241 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 249 | PRO | 0 | -0.001 | 0.002 | 17.478 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 250 | VAL | 0 | -0.016 | -0.001 | 20.412 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 251 | ALA | 0 | 0.047 | 0.023 | 19.292 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 252 | LEU | 0 | -0.057 | -0.019 | 21.352 | 0.709 | 0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 253 | ALA | 0 | 0.032 | 0.008 | 20.896 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 254 | SER | 0 | -0.042 | -0.028 | 23.034 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 255 | GLY | 0 | 0.040 | 0.013 | 24.092 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 256 | GLU | -1 | -0.885 | -0.935 | 24.853 | -10.304 | -10.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 257 | ARG | 1 | 0.874 | 0.934 | 27.498 | 10.436 | 10.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 258 | GLU | -1 | -0.840 | -0.918 | 22.618 | -13.726 | -13.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 259 | ILE | 0 | -0.016 | 0.009 | 23.635 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 260 | GLY | 0 | 0.070 | 0.023 | 20.235 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 261 | VAL | 0 | -0.058 | -0.019 | 18.221 | -0.845 | -0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 262 | LEU | 0 | -0.001 | -0.005 | 13.929 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 263 | PRO | 0 | 0.078 | 0.040 | 13.895 | -1.511 | -1.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 264 | LEU | 0 | 0.031 | 0.025 | 14.481 | -0.828 | -0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 265 | LEU | 0 | -0.021 | -0.014 | 11.201 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 266 | GLU | -1 | -0.870 | -0.939 | 9.723 | -28.710 | -28.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 267 | LEU | 0 | 0.081 | 0.039 | 10.147 | -2.063 | -2.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 268 | ILE | 0 | -0.031 | -0.017 | 11.527 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 269 | LEU | 0 | -0.064 | -0.037 | 6.261 | -1.678 | -1.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 270 | GLU | -1 | -0.934 | -0.948 | 8.292 | -26.274 | -26.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 271 | ALA | 0 | 0.035 | 0.024 | 9.908 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 272 | LEU | 0 | -0.036 | -0.008 | 12.348 | 1.115 | 1.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 273 | PRO | 0 | -0.001 | 0.001 | 11.251 | -2.553 | -2.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 274 | SER | 0 | -0.074 | -0.072 | 9.269 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 275 | PRO | 0 | 0.020 | 0.002 | 11.222 | 1.619 | 1.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 276 | THR | 0 | -0.031 | -0.014 | 11.663 | 1.128 | 1.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 277 | GLU | -1 | -0.806 | -0.862 | 11.271 | -26.027 | -26.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 278 | ARG | 1 | 0.845 | 0.922 | 14.478 | 17.034 | 17.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 279 | PHE | 0 | -0.034 | -0.024 | 17.073 | 1.113 | 1.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 280 | GLY | 0 | 0.044 | 0.037 | 16.710 | 0.912 | 0.912 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 281 | ASP | -1 | -0.870 | -0.930 | 13.776 | -23.627 | -23.627 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 282 | GLY | 0 | -0.011 | -0.025 | 16.655 | 1.066 | 1.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 283 | PRO | 0 | -0.016 | -0.013 | 19.539 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 284 | PRO | 0 | -0.020 | -0.006 | 20.376 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 285 | LEU | 0 | 0.003 | 0.020 | 21.143 | 0.781 | 0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 286 | ALA | 0 | 0.006 | -0.001 | 21.407 | -0.884 | -0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 287 | LYS | 1 | 0.820 | 0.906 | 23.447 | 12.098 | 12.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 288 | VAL | 0 | -0.023 | -0.001 | 25.077 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 289 | PHE | 0 | 0.011 | 0.011 | 22.777 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 290 | LYS | 1 | 0.739 | 0.858 | 26.745 | 11.586 | 11.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 291 | VAL | 0 | 0.016 | 0.009 | 28.878 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 292 | GLN | 0 | 0.029 | 0.028 | 29.952 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 293 | VAL | 0 | 0.003 | -0.012 | 32.271 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 294 | ASP | -1 | -0.724 | -0.823 | 31.792 | -9.654 | -9.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 295 | PRO | 0 | 0.012 | -0.006 | 35.048 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 296 | PHE | 0 | -0.077 | -0.049 | 36.696 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 297 | MET | 0 | -0.032 | 0.010 | 29.192 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 298 | GLY | 0 | 0.003 | 0.010 | 34.210 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 299 | GLN | 0 | -0.062 | -0.050 | 33.829 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 300 | VAL | 0 | -0.021 | -0.014 | 27.859 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 301 | ALA | 0 | 0.009 | 0.013 | 29.069 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 302 | TYR | 0 | -0.014 | -0.012 | 24.159 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 303 | LEU | 0 | -0.002 | -0.007 | 23.306 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 304 | ARG | 1 | 0.752 | 0.845 | 16.359 | 18.074 | 18.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 305 | LEU | 0 | 0.000 | -0.001 | 16.914 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 306 | TYR | 0 | -0.042 | -0.040 | 17.522 | -1.085 | -1.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 307 | ARG | 1 | 0.933 | 0.969 | 16.983 | 13.924 | 13.924 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 308 | GLY | 0 | 0.033 | 0.023 | 16.864 | 0.809 | 0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 309 | ARG | 1 | 0.803 | 0.865 | 13.416 | 20.011 | 20.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 310 | LEU | 0 | -0.023 | 0.002 | 16.871 | 1.116 | 1.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 311 | LYS | 1 | 0.972 | 0.970 | 17.999 | 13.827 | 13.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 312 | PRO | 0 | 0.016 | 0.019 | 20.033 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 313 | GLY | 0 | -0.067 | -0.036 | 23.225 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 314 | ASP | -1 | -0.797 | -0.886 | 21.959 | -13.654 | -13.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 315 | SER | 0 | -0.075 | -0.071 | 25.378 | 0.630 | 0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 316 | LEU | 0 | -0.002 | 0.025 | 23.525 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 317 | GLN | 0 | 0.031 | 0.024 | 27.605 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 318 | SER | 0 | 0.007 | -0.024 | 29.970 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 319 | GLU | -1 | -0.790 | -0.890 | 32.607 | -8.959 | -8.959 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 320 | ALA | 0 | -0.065 | -0.022 | 35.425 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 321 | GLY | 0 | -0.002 | 0.015 | 35.933 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 322 | GLN | 0 | -0.024 | -0.015 | 30.253 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 323 | VAL | 0 | 0.036 | 0.027 | 28.893 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 324 | ARG | 1 | 0.867 | 0.938 | 28.868 | 10.356 | 10.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 325 | LEU | 0 | 0.023 | 0.012 | 23.542 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 326 | PRO | 0 | -0.050 | -0.027 | 25.614 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 327 | HIS | 1 | 0.836 | 0.887 | 24.734 | 11.867 | 11.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 328 | LEU | 0 | 0.019 | 0.029 | 19.200 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 329 | TYR | 0 | -0.002 | -0.001 | 21.316 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 330 | VAL | 0 | 0.044 | 0.025 | 16.035 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 331 | PRO | 0 | -0.045 | -0.009 | 19.406 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 332 | MET | 0 | 0.016 | 0.001 | 18.298 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 333 | GLY | 0 | -0.001 | -0.002 | 21.816 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 334 | LYS | 1 | 0.924 | 0.958 | 25.029 | 10.206 | 10.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 335 | ASP | -1 | -0.934 | -0.949 | 24.546 | -11.315 | -11.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 336 | LEU | 0 | -0.042 | -0.025 | 23.619 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 337 | LEU | 0 | 0.013 | 0.004 | 19.065 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 338 | GLU | -1 | -0.811 | -0.891 | 20.192 | -13.179 | -13.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 339 | VAL | 0 | -0.039 | -0.014 | 15.919 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 340 | GLU | -1 | -0.897 | -0.961 | 16.949 | -14.533 | -14.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 341 | GLU | -1 | -0.913 | -0.948 | 12.496 | -23.461 | -23.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 342 | ALA | 0 | -0.013 | -0.002 | 15.287 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 343 | GLU | -1 | -0.884 | -0.951 | 9.581 | -31.715 | -31.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 344 | ALA | 0 | 0.041 | 0.024 | 13.445 | 0.879 | 0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 345 | GLY | 0 | 0.033 | -0.003 | 12.639 | -2.268 | -2.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 346 | PHE | 0 | -0.044 | -0.019 | 11.490 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 347 | VAL | 0 | -0.016 | -0.006 | 15.526 | 1.124 | 1.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 348 | LEU | 0 | -0.014 | -0.019 | 18.446 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 349 | GLY | 0 | 0.019 | 0.011 | 21.064 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 350 | VAL | 0 | -0.007 | -0.007 | 24.456 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 351 | PRO | 0 | 0.033 | 0.010 | 27.082 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 352 | LYS | 1 | 0.912 | 0.953 | 30.089 | 9.366 | 9.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 353 | ALA | 0 | 0.031 | 0.023 | 30.901 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 354 | GLU | -1 | -0.831 | -0.925 | 33.028 | -8.895 | -8.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 355 | GLY | 0 | -0.043 | -0.015 | 35.811 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 356 | LEU | 0 | -0.040 | -0.026 | 29.588 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 357 | HIS | 1 | 0.868 | 0.906 | 33.446 | 8.887 | 8.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 358 | ARG | 1 | 0.963 | 0.973 | 30.736 | 10.109 | 10.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 359 | GLY | 0 | -0.023 | -0.012 | 30.618 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 360 | MET | 0 | -0.036 | -0.002 | 31.177 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 361 | VAL | 0 | 0.040 | 0.022 | 27.553 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 362 | LEU | 0 | -0.033 | -0.022 | 26.290 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 363 | TRP | 0 | 0.027 | 0.017 | 25.666 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 364 | GLN | 0 | -0.016 | -0.025 | 24.040 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 365 | GLY | 0 | -0.022 | -0.007 | 26.729 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 366 | GLU | -1 | -0.879 | -0.946 | 29.053 | -9.511 | -9.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 367 | LYS | 1 | 0.775 | 0.880 | 29.305 | 8.850 | 8.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 368 | PRO | 0 | -0.025 | -0.004 | 27.395 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 369 | GLU | -1 | -0.904 | -0.957 | 29.502 | -9.177 | -9.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 370 | SER | 0 | -0.121 | -0.087 | 30.200 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 371 | GLU | -1 | -0.865 | -0.926 | 29.798 | -10.047 | -10.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 372 | GLU | -1 | -0.908 | -0.941 | 25.936 | -12.282 | -12.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 373 | VAL | 0 | -0.051 | -0.029 | 25.100 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 374 | PRO | 0 | -0.001 | 0.014 | 22.940 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 375 | PHE | 0 | 0.007 | -0.002 | 26.180 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 376 | ALA | 0 | -0.004 | -0.003 | 29.153 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 377 | ARG | 1 | 0.963 | 0.988 | 30.965 | 8.496 | 8.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 378 | LEU | 0 | 0.003 | 0.009 | 33.103 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 379 | PRO | 0 | -0.072 | -0.041 | 36.192 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 380 | ASP | -1 | -0.826 | -0.910 | 39.362 | -7.623 | -7.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 381 | PRO | 0 | -0.107 | -0.052 | 41.691 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 382 | ASN | 0 | 0.025 | -0.002 | 43.334 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 383 | VAL | 0 | -0.015 | 0.004 | 45.595 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 384 | PRO | 0 | 0.001 | 0.013 | 47.460 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 385 | VAL | 0 | 0.020 | -0.003 | 48.993 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 386 | ALA | 0 | -0.013 | -0.003 | 51.597 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 387 | LEU | 0 | -0.016 | -0.016 | 48.834 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 388 | HIS | 1 | 0.845 | 0.911 | 53.141 | 5.868 | 5.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 389 | PRO | 0 | 0.022 | 0.029 | 53.741 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 390 | LYS | 1 | 0.816 | 0.903 | 54.403 | 6.024 | 6.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 391 | GLY | 0 | 0.023 | 0.002 | 56.262 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 392 | ARG | 1 | 0.946 | 0.963 | 57.066 | 5.201 | 5.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 393 | THR | 0 | -0.021 | -0.021 | 53.433 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 394 | ASP | -1 | -0.796 | -0.883 | 52.597 | -6.165 | -6.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 395 | GLU | -1 | -0.868 | -0.956 | 52.617 | -5.962 | -5.962 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 396 | ALA | 0 | -0.060 | -0.025 | 53.984 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 397 | ARG | 1 | 0.879 | 0.929 | 49.321 | 6.321 | 6.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 398 | LEU | 0 | 0.016 | 0.023 | 48.967 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 399 | GLY | 0 | 0.032 | 0.016 | 48.498 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 400 | GLU | -1 | -0.755 | -0.830 | 43.378 | -7.626 | -7.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 401 | ALA | 0 | -0.010 | 0.000 | 44.406 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 402 | LEU | 0 | 0.030 | -0.002 | 43.729 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 403 | ARG | 1 | 0.846 | 0.909 | 39.678 | 7.689 | 7.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 404 | LYS | 1 | 0.845 | 0.906 | 39.997 | 7.457 | 7.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 405 | LEU | 0 | 0.026 | 0.018 | 39.029 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 406 | LEU | 0 | -0.036 | -0.023 | 39.382 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 407 | GLU | -1 | -0.833 | -0.884 | 37.014 | -8.805 | -8.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 408 | GLU | -1 | -0.797 | -0.850 | 34.155 | -9.465 | -9.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 409 | ASP | -1 | -0.792 | -0.870 | 34.553 | -9.157 | -9.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 410 | PRO | 0 | 0.001 | 0.002 | 35.159 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 411 | SER | 0 | -0.104 | -0.064 | 36.124 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 412 | LEU | 0 | 0.011 | 0.013 | 38.136 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 413 | LYS | 1 | 0.913 | 0.956 | 41.531 | 6.706 | 6.706 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 414 | LEU | 0 | 0.003 | 0.003 | 44.525 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 415 | GLU | -1 | -0.847 | -0.913 | 47.459 | -6.405 | -6.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 416 | ARG | 1 | 0.879 | 0.935 | 50.838 | 5.843 | 5.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 417 | GLN | 0 | 0.081 | 0.050 | 54.435 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 418 | GLU | -1 | -0.946 | -0.979 | 56.262 | -5.611 | -5.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 419 | GLU | -1 | -0.840 | -0.877 | 59.071 | -5.169 | -5.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 420 | THR | 0 | -0.036 | -0.040 | 58.949 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 421 | GLY | 0 | 0.011 | 0.018 | 60.313 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 422 | GLU | -1 | -0.837 | -0.926 | 56.882 | -5.635 | -5.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 423 | LEU | 0 | -0.030 | -0.012 | 51.395 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 424 | LEU | 0 | 0.006 | 0.008 | 51.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 425 | LEU | 0 | 0.010 | 0.004 | 44.683 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 426 | TRP | 0 | -0.038 | -0.027 | 45.907 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 427 | GLY | 0 | 0.048 | 0.008 | 42.841 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 428 | HIS | 1 | 0.766 | 0.860 | 39.187 | 8.240 | 8.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 429 | GLY | 0 | 0.039 | 0.021 | 41.920 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 430 | GLU | -1 | -0.869 | -0.940 | 43.472 | -6.674 | -6.674 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 431 | LEU | 0 | -0.013 | 0.006 | 38.620 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 432 | HIS | 0 | -0.042 | -0.021 | 38.607 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 433 | LEU | 0 | 0.037 | 0.026 | 41.159 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 434 | ALA | 0 | -0.011 | 0.003 | 43.880 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 435 | THR | 0 | -0.032 | -0.036 | 38.777 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 436 | ALA | 0 | 0.029 | 0.014 | 41.330 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 437 | LYS | 1 | 0.883 | 0.951 | 42.835 | 6.440 | 6.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 438 | GLU | -1 | -0.814 | -0.898 | 41.737 | -7.654 | -7.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 439 | ARG | 1 | 0.748 | 0.825 | 34.914 | 8.835 | 8.835 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 440 | LEU | 0 | -0.006 | -0.002 | 41.574 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 441 | GLN | 0 | 0.001 | 0.008 | 44.814 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 442 | ASP | -1 | -0.805 | -0.876 | 39.467 | -8.062 | -8.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 443 | TYR | 0 | -0.100 | -0.060 | 37.671 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 444 | GLY | 0 | -0.029 | -0.003 | 43.825 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 445 | VAL | 0 | -0.082 | -0.040 | 47.220 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 446 | GLU | -1 | -0.808 | -0.887 | 48.584 | -6.177 | -6.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 447 | VAL | 0 | -0.009 | -0.012 | 48.708 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 448 | GLU | -1 | -0.871 | -0.948 | 51.320 | -6.178 | -6.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 449 | PHE | 0 | -0.017 | -0.017 | 47.066 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 450 | SER | 0 | -0.014 | 0.003 | 53.335 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 451 | VAL | 0 | 0.055 | 0.027 | 54.758 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 452 | PRO | 0 | -0.025 | -0.004 | 53.911 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 453 | LYS | 1 | 0.954 | 0.981 | 56.736 | 5.331 | 5.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 454 | VAL | 0 | 0.021 | 0.013 | 59.321 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 455 | PRO | 0 | 0.002 | 0.019 | 59.118 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 456 | TYR | 0 | 0.032 | 0.002 | 62.186 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 457 | ARG | 1 | 0.806 | 0.870 | 60.932 | 5.230 | 5.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 458 | GLU | -1 | -0.742 | -0.887 | 67.709 | -4.424 | -4.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 459 | THR | 0 | -0.016 | -0.024 | 71.032 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 460 | ILE | 0 | -0.025 | -0.008 | 73.383 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 461 | LYS | 1 | 0.837 | 0.907 | 76.608 | 4.236 | 4.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 462 | LYS | 1 | 0.860 | 0.946 | 79.155 | 3.863 | 3.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 463 | VAL | 0 | 0.018 | 0.004 | 81.504 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 464 | ALA | 0 | -0.035 | -0.001 | 83.202 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 465 | GLU | -1 | -0.845 | -0.917 | 83.986 | -3.780 | -3.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 466 | GLY | 0 | 0.046 | 0.030 | 86.036 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 467 | GLN | 0 | -0.072 | -0.037 | 86.183 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 468 | GLY | 0 | 0.025 | 0.020 | 84.575 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 469 | LYS | 1 | 0.792 | 0.876 | 85.655 | 3.601 | 3.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 470 | TYR | 0 | 0.034 | 0.014 | 84.108 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 471 | LYS | 1 | 0.956 | 0.973 | 86.969 | 3.519 | 3.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 472 | LYS | 1 | 0.907 | 0.967 | 85.466 | 3.843 | 3.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 473 | GLN | 0 | 0.013 | 0.012 | 89.688 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 474 | THR | 0 | -0.029 | -0.007 | 85.459 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 475 | GLY | 0 | 0.009 | 0.002 | 88.740 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 476 | GLY | 0 | -0.009 | -0.010 | 90.372 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 477 | HIS | 0 | 0.011 | 0.012 | 87.553 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 478 | GLY | 0 | 0.076 | 0.041 | 88.946 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 479 | GLN | 0 | 0.006 | 0.021 | 83.779 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 480 | TYR | 0 | -0.052 | -0.050 | 86.868 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 481 | GLY | 0 | 0.083 | 0.057 | 84.978 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 482 | ASP | -1 | -0.853 | -0.891 | 86.028 | -3.634 | -3.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 483 | VAL | 0 | 0.084 | 0.036 | 81.817 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 484 | TRP | 0 | -0.031 | -0.011 | 85.254 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 485 | LEU | 0 | 0.005 | 0.006 | 79.185 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 486 | ARG | 1 | 0.826 | 0.885 | 82.562 | 3.906 | 3.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 487 | LEU | 0 | -0.018 | 0.002 | 77.552 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 488 | GLU | -1 | -0.804 | -0.915 | 78.708 | -3.964 | -3.964 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 489 | PRO | 0 | 0.006 | 0.009 | 76.327 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 490 | ALA | 0 | -0.033 | -0.010 | 73.338 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 491 | SER | 0 | 0.013 | 0.003 | 69.146 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 492 | GLU | -1 | -0.962 | -0.980 | 65.491 | -5.035 | -5.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 493 | TYR | 0 | -0.107 | -0.070 | 68.162 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 494 | GLY | 0 | 0.030 | 0.014 | 69.763 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 495 | PHE | 0 | -0.001 | 0.004 | 72.392 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 496 | GLU | -1 | -0.816 | -0.900 | 74.752 | -4.183 | -4.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 497 | TRP | 0 | 0.040 | 0.018 | 77.944 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 498 | ARG | 1 | 0.838 | 0.889 | 78.800 | 4.112 | 4.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 499 | ILE | 0 | -0.030 | 0.018 | 83.670 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 500 | THR | 0 | 0.021 | 0.012 | 85.688 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 501 | GLY | 0 | 0.008 | -0.020 | 88.685 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 502 | GLY | 0 | 0.003 | 0.013 | 87.707 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 503 | VAL | 0 | -0.044 | -0.015 | 88.708 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 504 | ILE | 0 | 0.000 | 0.002 | 83.410 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 505 | PRO | 0 | 0.000 | 0.003 | 84.293 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 506 | SER | 0 | 0.024 | -0.002 | 80.015 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 507 | LYS | 1 | 0.945 | 0.983 | 78.886 | 3.881 | 3.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 508 | TYR | 0 | 0.033 | 0.003 | 78.228 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 509 | GLN | 0 | -0.047 | -0.025 | 76.218 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 510 | GLU | -1 | -0.932 | -0.948 | 70.700 | -4.629 | -4.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 511 | ALA | 0 | 0.077 | 0.042 | 74.209 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 512 | ILE | 0 | -0.044 | -0.029 | 76.035 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 513 | GLU | -1 | -0.764 | -0.856 | 71.329 | -4.654 | -4.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 514 | GLU | -1 | -0.905 | -0.950 | 70.821 | -4.630 | -4.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 515 | GLY | 0 | 0.040 | 0.014 | 72.814 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 516 | ILE | 0 | -0.057 | -0.027 | 73.916 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 517 | LYS | 1 | 0.858 | 0.923 | 68.245 | 4.746 | 4.746 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 518 | GLU | -1 | -0.940 | -0.969 | 70.211 | -4.642 | -4.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 519 | ALA | 0 | -0.054 | -0.019 | 71.746 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 520 | ALA | 0 | 0.039 | 0.018 | 71.006 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 521 | LYS | 1 | 0.941 | 0.977 | 66.691 | 4.807 | 4.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 522 | LYS | 1 | 0.903 | 0.957 | 68.979 | 4.635 | 4.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 523 | GLY | 0 | 0.024 | -0.002 | 71.725 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 524 | VAL | 0 | -0.014 | -0.027 | 73.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 525 | LEU | 0 | -0.085 | -0.019 | 75.072 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 526 | ALA | 0 | 0.026 | 0.001 | 72.135 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 527 | GLY | 0 | 0.019 | 0.035 | 71.829 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 528 | PHE | 0 | -0.043 | -0.033 | 66.058 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 529 | PRO | 0 | 0.019 | 0.014 | 65.036 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 530 | VAL | 0 | -0.034 | -0.002 | 68.161 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 531 | MET | 0 | -0.014 | -0.012 | 64.297 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 532 | GLY | 0 | 0.055 | 0.038 | 69.547 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 533 | PHE | 0 | -0.039 | -0.014 | 71.259 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 534 | LYS | 1 | 0.913 | 0.956 | 73.168 | 4.190 | 4.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 535 | ALA | 0 | -0.006 | -0.007 | 75.684 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 536 | ILE | 0 | -0.007 | -0.003 | 77.441 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 537 | VAL | 0 | 0.026 | 0.008 | 79.870 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 538 | TYR | 0 | -0.047 | -0.042 | 82.225 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 539 | ASN | 0 | 0.019 | 0.012 | 85.660 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 540 | GLY | 0 | 0.026 | 0.002 | 86.917 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 541 | SER | 0 | -0.044 | -0.010 | 88.499 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 542 | TYR | 0 | 0.011 | -0.007 | 87.194 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 543 | HIS | 0 | -0.023 | -0.014 | 88.998 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 544 | GLU | -1 | -0.916 | -0.970 | 88.269 | -3.798 | -3.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 545 | VAL | 0 | -0.031 | 0.003 | 88.587 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 546 | ASP | -1 | -0.843 | -0.931 | 88.499 | -3.657 | -3.657 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 547 | SER | 0 | -0.077 | -0.045 | 85.381 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 548 | SER | 0 | -0.009 | -0.019 | 81.321 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 549 | ASP | -1 | -0.792 | -0.914 | 76.917 | -4.209 | -4.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 550 | LEU | 0 | 0.051 | 0.034 | 77.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 551 | ALA | 0 | -0.028 | -0.017 | 79.070 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 552 | PHE | 0 | 0.003 | -0.018 | 80.544 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 553 | GLN | 0 | -0.005 | 0.005 | 73.526 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 554 | ILE | 0 | -0.018 | -0.014 | 78.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 555 | ALA | 0 | -0.045 | -0.019 | 80.344 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 556 | ALA | 0 | 0.037 | 0.016 | 78.671 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 557 | SER | 0 | 0.003 | 0.014 | 77.195 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 558 | LEU | 0 | -0.042 | -0.038 | 78.690 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 559 | ALA | 0 | 0.008 | 0.007 | 81.843 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 560 | PHE | 0 | 0.031 | 0.006 | 74.339 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 561 | LYS | 1 | 0.819 | 0.909 | 74.719 | 4.364 | 4.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 562 | LYS | 1 | 0.886 | 0.950 | 80.205 | 3.760 | 3.760 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 563 | VAL | 0 | 0.025 | 0.011 | 81.970 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 564 | MET | 0 | -0.018 | 0.015 | 74.380 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 565 | ALA | 0 | -0.004 | 0.000 | 79.925 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 566 | GLU | -1 | -0.937 | -0.971 | 82.164 | -3.754 | -3.754 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 567 | ALA | 0 | -0.013 | -0.018 | 80.478 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 568 | HIS | 0 | -0.053 | -0.030 | 79.840 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 569 | PRO | 0 | 0.044 | 0.030 | 77.173 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 570 | VAL | 0 | -0.040 | -0.031 | 74.090 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 571 | LEU | 0 | 0.025 | 0.019 | 70.093 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 572 | LEU | 0 | -0.014 | -0.007 | 67.753 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 573 | GLU | -1 | -0.746 | -0.863 | 64.752 | -4.975 | -4.975 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 574 | PRO | 0 | -0.009 | 0.004 | 60.174 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 575 | ILE | 0 | -0.016 | -0.007 | 61.289 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 576 | TYR | 0 | 0.026 | 0.001 | 53.877 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 577 | ARG | 1 | 0.852 | 0.929 | 53.383 | 6.070 | 6.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 578 | LEU | 0 | -0.027 | -0.024 | 52.971 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 579 | LYS | 1 | 0.968 | 0.993 | 49.854 | 6.528 | 6.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 580 | VAL | 0 | -0.016 | -0.019 | 50.747 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 581 | LEU | 0 | 0.012 | 0.031 | 45.895 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 582 | ALA | 0 | 0.035 | -0.004 | 48.814 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 583 | PRO | 0 | 0.045 | 0.013 | 48.208 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 584 | GLN | 0 | 0.030 | 0.019 | 50.646 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 585 | GLU | -1 | -0.915 | -0.959 | 53.707 | -5.861 | -5.861 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 586 | ARG | 1 | 0.772 | 0.881 | 52.082 | 6.094 | 6.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 587 | VAL | 0 | 0.023 | 0.024 | 54.688 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 588 | GLY | 0 | -0.011 | -0.004 | 56.547 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 589 | ASP | -1 | -0.816 | -0.894 | 56.503 | -5.575 | -5.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 590 | VAL | 0 | -0.002 | -0.008 | 53.572 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 591 | LEU | 0 | -0.002 | -0.011 | 56.878 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 592 | SER | 0 | -0.017 | 0.009 | 60.079 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 593 | ASP | -1 | -0.763 | -0.858 | 57.771 | -5.583 | -5.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 594 | LEU | 0 | 0.006 | -0.010 | 56.592 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 595 | GLN | 0 | -0.036 | -0.015 | 60.419 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 596 | ALA | 0 | -0.027 | -0.003 | 62.999 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 597 | ARG | 1 | 0.724 | 0.823 | 57.862 | 5.639 | 5.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 598 | ARG | 1 | 0.696 | 0.783 | 62.594 | 4.939 | 4.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 599 | GLY | 0 | 0.009 | 0.022 | 61.939 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 600 | ARG | 1 | 0.903 | 0.958 | 62.822 | 5.096 | 5.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 601 | ILE | 0 | 0.027 | 0.002 | 60.102 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 602 | LEU | 0 | -0.088 | -0.045 | 58.393 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 603 | GLY | 0 | 0.022 | 0.006 | 59.562 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 604 | MET | 0 | -0.060 | -0.028 | 56.229 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 605 | GLU | -1 | -0.844 | -0.894 | 52.589 | -6.151 | -6.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 606 | GLN | 0 | -0.064 | -0.044 | 51.510 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 607 | GLU | -1 | -0.896 | -0.952 | 45.857 | -7.045 | -7.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 608 | GLY | 0 | 0.035 | 0.020 | 47.481 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 609 | ALA | 0 | 0.006 | 0.000 | 47.961 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 610 | LEU | 0 | -0.009 | -0.001 | 44.678 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 611 | SER | 0 | -0.017 | -0.007 | 49.212 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 612 | VAL | 0 | 0.029 | 0.024 | 49.498 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 613 | VAL | 0 | 0.002 | -0.002 | 52.058 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 614 | HIS | 0 | -0.033 | -0.035 | 52.142 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 615 | ALA | 0 | 0.030 | 0.000 | 56.130 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 616 | GLU | -1 | -0.886 | -0.927 | 57.894 | -5.348 | -5.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 617 | VAL | 0 | 0.023 | 0.011 | 57.521 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 618 | PRO | 0 | 0.041 | 0.024 | 60.265 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 619 | LEU | 0 | 0.011 | 0.005 | 55.901 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 620 | ALA | 0 | -0.002 | -0.015 | 58.777 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 621 | GLU | -1 | -0.814 | -0.874 | 60.784 | -5.109 | -5.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 622 | VAL | 0 | -0.034 | -0.022 | 55.585 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 623 | LEU | 0 | -0.003 | 0.009 | 54.712 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 624 | GLU | -1 | -0.822 | -0.908 | 53.381 | -6.136 | -6.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 625 | TYR | 0 | -0.009 | -0.004 | 52.051 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 626 | TYR | 0 | -0.013 | -0.010 | 47.982 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 627 | LYS | 1 | 0.850 | 0.917 | 48.935 | 6.111 | 6.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 628 | ALA | 0 | -0.018 | 0.000 | 51.020 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 629 | LEU | 0 | 0.027 | 0.021 | 48.104 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 630 | PRO | 0 | 0.010 | 0.017 | 47.098 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 631 | GLY | 0 | 0.035 | 0.022 | 48.993 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 632 | LEU | 0 | -0.049 | -0.022 | 52.251 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 633 | THR | 0 | -0.005 | -0.031 | 49.150 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 634 | GLY | 0 | -0.012 | 0.002 | 49.276 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 635 | GLY | 0 | -0.056 | -0.033 | 45.584 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 636 | ALA | 0 | -0.024 | -0.008 | 44.373 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 637 | GLY | 0 | 0.014 | 0.018 | 45.425 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 638 | ALA | 0 | -0.054 | -0.026 | 44.272 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 639 | TYR | 0 | 0.011 | -0.009 | 46.330 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 640 | THR | 0 | -0.002 | 0.000 | 46.571 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 641 | LEU | 0 | -0.012 | -0.002 | 49.129 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 642 | GLU | -1 | -0.855 | -0.917 | 49.773 | -6.529 | -6.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 643 | PHE | 0 | -0.006 | 0.006 | 53.082 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 644 | SER | 0 | -0.068 | -0.050 | 56.337 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 645 | HIS | 1 | 0.846 | 0.911 | 59.036 | 5.203 | 5.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 646 | TYR | 0 | 0.017 | -0.006 | 61.819 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 647 | ALA | 0 | -0.022 | -0.012 | 64.848 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 648 | GLU | -1 | -0.815 | -0.893 | 67.705 | -4.394 | -4.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 649 | VAL | 0 | -0.012 | 0.010 | 68.489 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 650 | PRO | 0 | 0.024 | 0.009 | 69.746 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 651 | PRO | 0 | 0.052 | 0.010 | 72.726 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 652 | HIS | 0 | 0.010 | 0.009 | 74.485 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 653 | LEU | 0 | -0.021 | -0.009 | 68.573 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 654 | ALA | 0 | 0.002 | 0.004 | 72.333 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 655 | GLN | 0 | -0.024 | -0.019 | 73.460 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 656 | ARG | 1 | 0.969 | 0.997 | 70.608 | 4.543 | 4.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 657 | ILE | 0 | 0.060 | 0.035 | 68.541 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 658 | VAL | 0 | -0.035 | -0.020 | 71.688 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 659 | GLN | 0 | -0.031 | -0.019 | 74.693 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 660 | GLU | -1 | -0.941 | -0.975 | 69.563 | -4.688 | -4.688 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 661 | ARG | 1 | 0.834 | 0.903 | 67.339 | 4.750 | 4.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 662 | ALA | 0 | -0.042 | -0.005 | 72.852 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 663 | GLN | 0 | -0.082 | -0.044 | 75.317 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 664 | GLU | -1 | -0.996 | -0.986 | 70.274 | -4.640 | -4.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 665 | GLY | -1 | -0.979 | -0.977 | 71.790 | -4.448 | -4.448 | 0.000 | 0.000 | 0.000 | 0.000 |