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: 9QV92
Calculation Name: 1HK8-A-Xray549
Preferred Name:
Target Type:
Ligand Name: 2'-deoxyguanosine-5'-triphosphate | manganese (ii) ion | zinc ion
Ligand 3-letter code: DGT | MN | ZN
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1HK8
Chain ID: A
UniProt ID: P07071
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 | 561 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -12234508.6226 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12011242.514516 |
| FMO2-HF: Total energy | -223266.108084 |
| FMO2-MP2: Total energy | -223907.283749 |
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:26:ASP)
Summations of interaction energy for
fragment #1(A:26:ASP)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -77.564 | -65.278 | 4.442 | -7.863 | -8.865 | -0.003 |
Interaction energy analysis for fragmet #1(A:26:ASP)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 28 | ARG | 1 | 1.011 | 1.006 | 2.583 | -20.408 | -16.253 | 0.631 | -2.333 | -2.453 | 0.018 |
| 4 | A | 29 | VAL | 0 | 0.018 | 0.014 | 2.238 | -9.670 | -6.110 | 2.181 | -2.533 | -3.207 | 0.019 |
| 5 | A | 30 | PHE | 0 | 0.021 | 0.003 | 4.094 | -4.932 | -4.873 | 0.000 | -0.032 | -0.028 | 0.000 |
| 7 | A | 32 | THR | 0 | 0.069 | 0.044 | 2.309 | -13.886 | -11.213 | 1.429 | -1.967 | -2.135 | -0.029 |
| 8 | A | 33 | GLN | 0 | -0.008 | 0.001 | 4.698 | 2.347 | 2.448 | -0.001 | -0.023 | -0.077 | 0.000 |
| 166 | A | 191 | GLN | 0 | -0.033 | -0.015 | 2.793 | -23.405 | -21.667 | 0.202 | -0.975 | -0.965 | -0.011 |
| 6 | A | 31 | PRO | 0 | 0.032 | 0.022 | 5.860 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 34 | ARG | 1 | 0.904 | 0.948 | 7.809 | 2.382 | 2.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 35 | ASP | -1 | -0.800 | -0.878 | 7.247 | -7.624 | -7.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 36 | LEU | 0 | 0.036 | 0.014 | 7.207 | 1.279 | 1.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 37 | MET | 0 | -0.066 | -0.035 | 9.868 | 0.801 | 0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 38 | ALA | 0 | 0.032 | 0.023 | 12.450 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 39 | GLY | 0 | 0.073 | 0.045 | 12.450 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 40 | ILE | 0 | -0.067 | -0.041 | 13.438 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 41 | VAL | 0 | 0.000 | -0.003 | 15.664 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 42 | SER | 0 | -0.003 | -0.004 | 16.494 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 43 | LYS | 1 | 0.963 | 0.982 | 13.080 | 2.766 | 2.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 44 | HIS | 0 | -0.032 | -0.006 | 18.929 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 45 | ILE | 0 | 0.029 | 0.013 | 21.155 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 46 | ALA | 0 | 0.020 | 0.003 | 21.138 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 47 | LYS | 1 | 0.820 | 0.890 | 21.894 | 1.026 | 1.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 48 | ASN | 0 | -0.054 | -0.023 | 24.907 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 49 | MET | 0 | -0.045 | -0.001 | 25.646 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 50 | VAL | 0 | 0.003 | 0.002 | 24.561 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 51 | PRO | 0 | 0.030 | 0.017 | 27.703 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 52 | SER | 0 | 0.029 | 0.006 | 29.866 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 53 | PHE | 0 | 0.041 | 0.015 | 30.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 54 | ILE | 0 | 0.049 | 0.038 | 26.993 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 55 | MET | 0 | 0.009 | 0.003 | 22.867 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 56 | LYS | 1 | 0.962 | 0.972 | 26.210 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 57 | ALA | 0 | 0.036 | 0.044 | 28.108 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 58 | HIS | 0 | 0.059 | 0.057 | 19.585 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 59 | GLU | -1 | -0.895 | -0.948 | 22.954 | -0.890 | -0.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 60 | SER | 0 | -0.055 | -0.046 | 24.172 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 61 | GLY | 0 | 0.042 | 0.031 | 24.521 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 62 | ILE | 0 | -0.022 | 0.001 | 25.409 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 63 | ILE | 0 | 0.017 | -0.007 | 25.439 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 64 | HIS | 0 | -0.004 | -0.001 | 17.179 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 65 | VAL | 0 | -0.001 | -0.004 | 21.149 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 66 | HIS | 0 | -0.041 | -0.022 | 17.292 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 67 | ASP | -1 | -0.797 | -0.909 | 15.214 | -2.991 | -2.991 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 68 | ILE | 0 | -0.035 | -0.006 | 16.295 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 69 | ASP | -1 | -0.972 | -0.994 | 12.068 | -4.000 | -4.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 70 | TYR | 0 | -0.028 | -0.028 | 10.244 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 71 | SER | 0 | 0.015 | 0.023 | 16.555 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 72 | PRO | 0 | -0.007 | -0.021 | 20.180 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 73 | ALA | 0 | -0.008 | -0.011 | 19.812 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 74 | LEU | 0 | 0.025 | 0.016 | 18.290 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 75 | PRO | 0 | 0.004 | 0.014 | 21.371 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 76 | PHE | 0 | -0.044 | -0.024 | 16.708 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 77 | THR | 0 | -0.032 | -0.016 | 20.684 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 78 | ASN | 0 | 0.017 | -0.005 | 18.248 | -0.515 | -0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 79 | CYS | 0 | -0.047 | -0.015 | 18.726 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 80 | CYS | 0 | -0.002 | -0.003 | 19.877 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 81 | LEU | 0 | -0.040 | 0.011 | 22.142 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 82 | VAL | 0 | 0.002 | 0.002 | 21.947 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 83 | ASP | -1 | -0.790 | -0.883 | 25.056 | -1.049 | -1.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 84 | LEU | 0 | -0.026 | -0.026 | 25.066 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 85 | LYS | 1 | 0.867 | 0.923 | 27.777 | 0.879 | 0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 86 | GLY | 0 | 0.061 | 0.032 | 31.551 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 87 | MET | 0 | -0.083 | -0.016 | 24.950 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 88 | LEU | 0 | 0.001 | -0.003 | 27.847 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 89 | GLU | -1 | -0.865 | -0.924 | 31.298 | -0.756 | -0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 90 | ASN | 0 | -0.077 | -0.029 | 33.962 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 91 | GLY | 0 | 0.016 | 0.017 | 33.826 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 92 | PHE | 0 | -0.013 | -0.026 | 25.817 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 93 | LYS | 1 | 0.885 | 0.958 | 28.268 | 1.030 | 1.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 94 | LEU | 0 | 0.004 | -0.002 | 22.270 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 95 | GLY | 0 | 0.004 | 0.001 | 23.784 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 96 | ASN | 0 | 0.000 | -0.017 | 24.423 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 97 | ALA | 0 | -0.001 | 0.009 | 27.135 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 98 | GLN | 0 | 0.015 | 0.006 | 29.012 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 99 | ILE | 0 | -0.036 | -0.010 | 27.138 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 100 | GLU | -1 | -0.859 | -0.943 | 30.744 | -0.651 | -0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 101 | THR | 0 | 0.007 | 0.009 | 32.255 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 102 | PRO | 0 | 0.008 | 0.015 | 30.264 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 103 | LYS | 1 | 0.909 | 0.944 | 32.796 | 0.721 | 0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 104 | SER | 0 | 0.021 | 0.019 | 32.152 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 105 | ILE | 0 | 0.046 | 0.023 | 29.391 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 106 | GLY | 0 | 0.051 | 0.020 | 27.615 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 107 | VAL | 0 | -0.027 | -0.010 | 26.693 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 108 | ALA | 0 | 0.009 | 0.007 | 27.230 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 109 | THR | 0 | -0.027 | -0.023 | 23.935 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 110 | ALA | 0 | 0.068 | 0.037 | 22.558 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 111 | ILE | 0 | -0.027 | -0.017 | 22.379 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 112 | MET | 0 | 0.016 | 0.021 | 21.831 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 113 | ALA | 0 | 0.025 | 0.029 | 18.465 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 114 | GLN | 0 | 0.021 | 0.007 | 18.157 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 115 | ILE | 0 | -0.019 | -0.013 | 19.522 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 116 | THR | 0 | -0.022 | -0.016 | 15.507 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 117 | ALA | 0 | 0.035 | 0.023 | 14.772 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 118 | GLN | 0 | -0.017 | -0.008 | 15.594 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 119 | VAL | 0 | 0.002 | 0.012 | 18.386 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 120 | ALA | 0 | 0.059 | 0.037 | 13.439 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 121 | SER | 0 | -0.044 | -0.037 | 14.049 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 122 | HIS | 1 | 0.766 | 0.872 | 15.017 | 2.765 | 2.765 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 123 | GLN | 0 | -0.006 | -0.001 | 16.409 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 124 | TYR | 0 | 0.048 | 0.030 | 13.999 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 125 | GLY | 0 | -0.004 | 0.008 | 13.798 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 126 | GLY | 0 | -0.044 | -0.023 | 15.158 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 127 | THR | 0 | -0.007 | -0.026 | 16.079 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 128 | THR | 0 | -0.031 | -0.035 | 18.334 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 129 | PHE | 0 | 0.006 | 0.003 | 19.432 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 130 | ALA | 0 | 0.042 | 0.015 | 23.868 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 131 | ASN | 0 | -0.022 | -0.006 | 27.109 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 132 | VAL | 0 | 0.062 | 0.016 | 24.768 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 133 | ASP | -1 | -0.794 | -0.912 | 28.190 | -0.888 | -0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 134 | LYS | 1 | 0.931 | 0.944 | 31.250 | 0.801 | 0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 135 | VAL | 0 | -0.038 | -0.014 | 29.019 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 136 | LEU | 0 | 0.000 | -0.012 | 26.460 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 137 | SER | 0 | 0.040 | 0.035 | 31.183 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 138 | PRO | 0 | 0.038 | 0.002 | 34.141 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 139 | TYR | 0 | -0.014 | -0.016 | 31.394 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 140 | VAL | 0 | 0.012 | 0.018 | 32.836 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 141 | LYS | 1 | 0.876 | 0.951 | 35.087 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 142 | ARG | 1 | 0.861 | 0.920 | 36.297 | 0.709 | 0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 143 | THR | 0 | 0.009 | 0.011 | 34.440 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 144 | TYR | 0 | -0.001 | -0.002 | 36.947 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 145 | ALA | 0 | -0.012 | -0.008 | 39.905 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 146 | LYS | 1 | 0.942 | 0.973 | 36.630 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 147 | HIS | 0 | -0.049 | -0.025 | 36.285 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 148 | ILE | 0 | -0.016 | -0.012 | 41.804 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 149 | GLU | -1 | -0.916 | -0.950 | 43.598 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 150 | ASP | -1 | -0.893 | -0.973 | 42.003 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 151 | ALA | 0 | -0.063 | -0.031 | 45.225 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 152 | GLU | -1 | -0.934 | -0.960 | 47.244 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 153 | LYS | 1 | 0.902 | 0.965 | 45.817 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 154 | TRP | 0 | -0.095 | -0.055 | 44.823 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 155 | GLN | 0 | -0.027 | -0.005 | 49.318 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 156 | ILE | 0 | -0.033 | -0.010 | 45.575 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 157 | ALA | 0 | 0.003 | -0.004 | 49.731 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 158 | ASP | -1 | -0.860 | -0.930 | 48.501 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 159 | ALA | 0 | 0.036 | 0.017 | 47.439 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 160 | LEU | 0 | 0.028 | -0.003 | 46.066 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 161 | ASN | 0 | -0.048 | -0.011 | 44.556 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 162 | TYR | 0 | 0.016 | 0.011 | 41.806 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 163 | ALA | 0 | 0.034 | 0.013 | 41.438 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 164 | GLN | 0 | -0.014 | 0.009 | 40.171 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 165 | SER | 0 | 0.011 | 0.011 | 38.638 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 166 | LYS | 1 | 0.950 | 0.973 | 37.074 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 167 | THR | 0 | -0.008 | -0.018 | 35.598 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 168 | GLU | -1 | -0.933 | -0.991 | 34.281 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 169 | LYS | 1 | 0.779 | 0.884 | 29.878 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 170 | ASP | -1 | -0.802 | -0.900 | 30.942 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 171 | VAL | 0 | -0.027 | -0.027 | 29.952 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 172 | TYR | 0 | -0.028 | -0.012 | 25.556 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 173 | ASP | -1 | -0.770 | -0.879 | 26.576 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 174 | ALA | 0 | -0.023 | 0.003 | 25.347 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 175 | PHE | 0 | 0.014 | -0.004 | 23.811 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 176 | GLN | 0 | -0.018 | 0.009 | 22.188 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 177 | ALA | 0 | -0.004 | -0.005 | 20.757 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 178 | TYR | 0 | -0.018 | -0.015 | 18.876 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 179 | GLU | -1 | -0.800 | -0.901 | 17.353 | -1.898 | -1.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 180 | TYR | 0 | 0.000 | -0.004 | 16.033 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 181 | GLU | -1 | -0.934 | -0.945 | 14.996 | -2.124 | -2.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 182 | VAL | 0 | -0.013 | -0.008 | 13.649 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 183 | ASN | 0 | -0.112 | -0.080 | 11.244 | -1.120 | -1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 184 | THR | 0 | -0.075 | -0.054 | 10.867 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 185 | LEU | 0 | -0.031 | 0.013 | 11.444 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 186 | PHE | 0 | -0.046 | -0.040 | 5.661 | -1.804 | -1.804 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 187 | SER | 0 | 0.021 | 0.007 | 9.324 | 1.437 | 1.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 188 | SER | 0 | -0.031 | -0.037 | 9.394 | -1.072 | -1.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 189 | ASN | 0 | 0.048 | 0.037 | 8.130 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 190 | GLY | 0 | -0.058 | -0.045 | 5.389 | -2.920 | -2.920 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 192 | THR | 0 | 0.019 | 0.019 | 5.550 | 3.003 | 3.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 193 | PRO | 0 | -0.016 | 0.008 | 7.995 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 194 | PHE | 0 | 0.051 | 0.018 | 11.208 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 195 | VAL | 0 | 0.003 | 0.005 | 12.570 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 196 | THR | 0 | -0.045 | -0.028 | 16.037 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 197 | ILE | 0 | 0.028 | 0.006 | 19.259 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 198 | THR | 0 | 0.023 | 0.006 | 22.419 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 199 | PHE | 0 | -0.026 | -0.016 | 24.686 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 200 | GLY | 0 | 0.041 | 0.020 | 29.180 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 201 | THR | 0 | 0.001 | 0.019 | 32.418 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 202 | GLY | 0 | -0.022 | 0.001 | 34.465 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 203 | THR | 0 | 0.001 | -0.013 | 36.186 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 204 | ASP | -1 | -0.804 | -0.877 | 38.852 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 205 | TRP | 0 | 0.053 | 0.009 | 38.232 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 206 | THR | 0 | -0.070 | -0.059 | 36.066 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 207 | GLU | -1 | -0.817 | -0.905 | 34.070 | -0.722 | -0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 208 | ARG | 1 | 0.812 | 0.883 | 33.426 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 209 | MET | 0 | -0.020 | 0.013 | 33.415 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 210 | ILE | 0 | -0.010 | 0.008 | 28.651 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 211 | GLN | 0 | -0.017 | -0.018 | 29.108 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 212 | LYS | 1 | 0.889 | 0.934 | 29.278 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 213 | ALA | 0 | -0.025 | 0.001 | 28.410 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 214 | ILE | 0 | 0.012 | 0.014 | 23.824 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 215 | LEU | 0 | 0.029 | 0.013 | 24.716 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 216 | LYS | 1 | 0.959 | 0.977 | 26.156 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 217 | ASN | 0 | -0.067 | -0.040 | 22.868 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 218 | ARG | 1 | 0.832 | 0.910 | 17.358 | 1.894 | 1.894 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 219 | ILE | 0 | -0.006 | -0.016 | 22.125 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 220 | LYS | 1 | 0.913 | 0.972 | 23.761 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 221 | GLY | 0 | 0.027 | 0.016 | 20.049 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 222 | LEU | 0 | -0.035 | -0.018 | 13.329 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 223 | GLY | 0 | 0.017 | 0.005 | 16.636 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 224 | ARG | 1 | 0.797 | 0.863 | 16.846 | -0.703 | -0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 225 | ASP | -1 | -0.785 | -0.861 | 17.522 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 226 | GLY | 0 | 0.020 | 0.022 | 19.600 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 227 | ILE | 0 | -0.001 | 0.002 | 13.159 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 228 | THR | 0 | 0.055 | 0.029 | 17.202 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 229 | PRO | 0 | -0.029 | 0.005 | 14.020 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 230 | ILE | 0 | -0.002 | -0.005 | 10.392 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 231 | PHE | 0 | -0.004 | 0.008 | 9.779 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 232 | PRO | 0 | 0.074 | 0.030 | 14.120 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 233 | LYS | 1 | 0.880 | 0.966 | 16.074 | 2.705 | 2.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 234 | LEU | 0 | -0.013 | -0.003 | 18.536 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 235 | VAL | 0 | -0.007 | -0.008 | 22.146 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 236 | MET | 0 | -0.009 | 0.007 | 25.198 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 237 | PHE | 0 | -0.021 | -0.018 | 28.796 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 238 | VAL | 0 | -0.015 | -0.008 | 31.724 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 239 | GLU | -1 | -0.842 | -0.925 | 34.618 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 240 | GLU | -1 | -0.876 | -0.941 | 38.216 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 241 | GLY | 0 | 0.022 | 0.014 | 41.864 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 242 | VAL | 0 | -0.087 | -0.033 | 37.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 243 | ASN | 0 | -0.026 | -0.050 | 34.161 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 244 | LEU | 0 | 0.040 | 0.048 | 37.602 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 245 | TYR | 0 | 0.024 | -0.006 | 39.166 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 246 | LYS | 1 | 0.840 | 0.882 | 41.795 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 247 | ASP | -1 | -0.901 | -0.939 | 43.913 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 248 | ASP | -1 | -0.825 | -0.896 | 41.314 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 249 | PRO | 0 | -0.016 | -0.016 | 41.126 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 250 | ASN | 0 | -0.022 | -0.026 | 36.041 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 251 | TYR | 0 | -0.025 | -0.035 | 36.875 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 252 | ASP | -1 | -0.754 | -0.859 | 37.696 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 253 | ILE | 0 | -0.051 | -0.030 | 32.197 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 254 | LYS | 1 | 0.774 | 0.865 | 32.759 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 255 | GLN | 0 | -0.015 | -0.005 | 33.211 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 256 | LEU | 0 | -0.022 | -0.003 | 30.295 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 257 | ALA | 0 | 0.012 | -0.001 | 28.867 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 258 | LEU | 0 | 0.005 | 0.012 | 28.583 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 259 | GLU | -1 | -0.830 | -0.900 | 29.684 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 260 | CYS | 0 | -0.069 | -0.033 | 24.238 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 261 | ALA | 0 | 0.022 | 0.024 | 24.891 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 262 | SER | 0 | -0.038 | -0.038 | 25.065 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 263 | LYS | 1 | 0.843 | 0.897 | 24.919 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 264 | ARG | 1 | 0.749 | 0.868 | 20.394 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 265 | MET | 0 | -0.013 | 0.042 | 19.428 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 266 | TYR | 0 | -0.017 | -0.002 | 16.663 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 267 | PRO | 0 | -0.017 | -0.022 | 22.302 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 268 | ASP | -1 | -0.789 | -0.877 | 22.361 | -1.336 | -1.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 269 | ILE | 0 | -0.015 | -0.010 | 25.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 270 | ILE | 0 | 0.005 | -0.004 | 26.821 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 271 | SER | 0 | 0.000 | -0.003 | 30.406 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 272 | ALA | 0 | 0.001 | -0.005 | 34.166 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 273 | LYS | 1 | 0.918 | 0.962 | 35.525 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 274 | ASN | 0 | -0.010 | -0.013 | 35.618 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 275 | ASN | 0 | -0.013 | -0.013 | 30.346 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 276 | LYS | 1 | 0.847 | 0.926 | 34.251 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 277 | ALA | 0 | -0.009 | 0.003 | 37.005 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 278 | ILE | 0 | -0.054 | -0.023 | 33.327 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 279 | THR | 0 | -0.045 | -0.036 | 32.240 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 280 | GLY | 0 | 0.024 | 0.015 | 35.178 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 281 | SER | 0 | -0.056 | -0.032 | 35.393 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 282 | SER | 0 | 0.003 | -0.028 | 37.562 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 283 | VAL | 0 | -0.070 | -0.035 | 35.077 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 284 | PRO | 0 | 0.003 | 0.010 | 32.628 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 285 | VAL | 0 | 0.005 | 0.015 | 28.821 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 286 | SER | 0 | 0.030 | 0.021 | 25.630 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 287 | PRO | 0 | 0.018 | 0.024 | 22.800 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 288 | MET | 0 | 0.032 | 0.031 | 22.226 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 289 | GLY | 0 | 0.022 | 0.009 | 17.970 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 290 | CYS | 0 | -0.086 | -0.036 | 16.117 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 291 | ARG | 1 | 0.940 | 0.976 | 18.943 | 1.734 | 1.734 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 292 | SER | 0 | -0.035 | 0.022 | 22.388 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 293 | PHE | 0 | -0.007 | -0.011 | 24.029 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 294 | LEU | 0 | -0.014 | 0.001 | 27.532 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 295 | SER | 0 | 0.044 | 0.019 | 30.064 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 296 | VAL | 0 | 0.000 | -0.003 | 33.758 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 297 | TRP | 0 | -0.008 | -0.017 | 35.023 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 298 | LYS | 1 | 0.888 | 0.954 | 36.918 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 299 | ASP | -1 | -0.714 | -0.821 | 38.686 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 300 | SER | 0 | -0.031 | -0.028 | 40.042 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 301 | THR | 0 | -0.092 | -0.062 | 43.046 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 302 | GLY | 0 | -0.005 | 0.006 | 43.356 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 303 | ASN | 0 | -0.076 | -0.049 | 40.241 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 304 | GLU | -1 | -0.829 | -0.916 | 37.803 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 305 | ILE | 0 | -0.033 | -0.001 | 32.813 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 306 | LEU | 0 | -0.011 | 0.001 | 30.743 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 307 | ASP | -1 | -0.852 | -0.953 | 28.681 | -1.305 | -1.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 308 | GLY | 0 | -0.009 | -0.012 | 27.633 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 309 | ARG | 1 | 0.746 | 0.880 | 28.288 | 1.054 | 1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 310 | ASN | 0 | 0.040 | 0.018 | 23.747 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 311 | ASN | 0 | 0.011 | 0.010 | 22.552 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 312 | LEU | 0 | 0.019 | -0.018 | 23.115 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 313 | GLY | 0 | -0.006 | 0.015 | 21.362 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 314 | VAL | 0 | -0.041 | -0.015 | 20.550 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 315 | VAL | 0 | 0.016 | 0.006 | 21.883 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 316 | THR | 0 | -0.045 | -0.011 | 22.636 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 317 | LEU | 0 | 0.071 | 0.030 | 24.496 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 318 | ASN | 0 | -0.053 | -0.037 | 26.361 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 319 | LEU | 0 | 0.034 | 0.003 | 27.708 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 320 | PRO | 0 | 0.027 | 0.018 | 28.595 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 321 | ARG | 1 | 0.828 | 0.904 | 28.393 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 322 | ILE | 0 | -0.049 | -0.022 | 31.337 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 323 | ALA | 0 | 0.014 | 0.019 | 34.155 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 324 | LEU | 0 | 0.002 | 0.016 | 31.160 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 325 | ASP | -1 | -0.761 | -0.838 | 33.534 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 326 | SER | 0 | -0.068 | -0.053 | 36.337 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 327 | TYR | 0 | -0.066 | -0.043 | 38.878 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 328 | ILE | 0 | -0.044 | -0.021 | 40.683 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 329 | GLY | 0 | -0.003 | -0.003 | 43.235 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 330 | THR | 0 | 0.002 | -0.010 | 41.826 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 331 | GLN | 0 | -0.034 | -0.009 | 43.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 332 | PHE | 0 | 0.066 | 0.043 | 39.395 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 333 | ASN | 0 | -0.001 | -0.008 | 42.355 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 334 | GLU | -1 | -0.805 | -0.898 | 42.998 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 335 | GLN | 0 | -0.046 | -0.028 | 43.528 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 336 | LYS | 1 | 0.980 | 0.994 | 41.059 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 337 | PHE | 0 | 0.027 | 0.009 | 35.882 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 338 | VAL | 0 | -0.024 | -0.015 | 39.331 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 339 | GLU | -1 | -0.900 | -0.939 | 41.066 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 340 | LEU | 0 | 0.008 | -0.003 | 36.681 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 341 | PHE | 0 | -0.008 | -0.010 | 35.110 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 342 | ASN | 0 | -0.010 | -0.016 | 36.387 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 343 | GLU | -1 | -0.915 | -0.945 | 36.475 | -0.469 | -0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 344 | ARG | 1 | 0.832 | 0.884 | 32.353 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 345 | MET | 0 | -0.018 | 0.023 | 32.437 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 346 | ASP | -1 | -0.872 | -0.933 | 33.607 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 347 | LEU | 0 | -0.045 | -0.021 | 30.650 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 348 | CYS | 0 | -0.044 | -0.028 | 29.497 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 349 | PHE | 0 | 0.007 | 0.016 | 29.889 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 350 | GLU | -1 | -0.904 | -0.964 | 31.737 | -0.742 | -0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 351 | ALA | 0 | -0.050 | -0.029 | 26.961 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 352 | LEU | 0 | -0.027 | -0.011 | 25.816 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 353 | MET | 0 | 0.034 | 0.013 | 28.260 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 354 | CYS | 0 | -0.037 | -0.005 | 28.211 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 355 | ARG | 1 | 0.797 | 0.894 | 19.599 | 1.923 | 1.923 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 356 | ILE | 0 | 0.048 | 0.037 | 26.525 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 357 | SER | 0 | -0.043 | -0.031 | 28.673 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 358 | SER | 0 | -0.077 | -0.044 | 26.018 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 359 | LEU | 0 | 0.025 | 0.008 | 25.062 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 360 | LYS | 1 | 0.913 | 0.956 | 28.744 | 0.860 | 0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 361 | GLY | 0 | 0.021 | 0.025 | 32.032 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 362 | VAL | 0 | -0.031 | -0.008 | 26.752 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 363 | LYS | 1 | 0.842 | 0.925 | 29.816 | 0.865 | 0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 364 | ALA | 0 | 0.050 | 0.030 | 28.464 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 365 | THR | 0 | -0.015 | -0.018 | 27.681 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 366 | VAL | 0 | -0.037 | -0.003 | 23.166 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 367 | ALA | 0 | -0.020 | -0.023 | 22.334 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 368 | PRO | 0 | 0.015 | 0.022 | 23.845 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 369 | ILE | 0 | 0.011 | 0.000 | 21.389 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 370 | LEU | 0 | -0.021 | 0.000 | 21.065 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 371 | TYR | 0 | 0.047 | 0.013 | 24.423 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 372 | GLN | 0 | 0.005 | 0.005 | 28.506 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 373 | GLU | -1 | -0.873 | -0.938 | 27.621 | -1.015 | -1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 374 | GLY | 0 | -0.010 | 0.003 | 29.223 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 375 | ALA | 0 | 0.059 | 0.027 | 24.259 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 376 | PHE | 0 | -0.017 | -0.028 | 22.828 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 377 | GLY | 0 | 0.033 | 0.021 | 27.734 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 378 | VAL | 0 | -0.057 | -0.021 | 31.058 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 379 | ARG | 1 | 0.824 | 0.916 | 31.584 | 0.958 | 0.958 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 380 | LEU | 0 | 0.003 | 0.005 | 31.254 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 381 | LYS | 1 | 0.943 | 0.958 | 33.691 | 0.682 | 0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 382 | PRO | 0 | -0.038 | -0.034 | 32.106 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 383 | ASP | -1 | -0.899 | -0.965 | 32.630 | -0.783 | -0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 384 | ASP | -1 | -0.811 | -0.890 | 34.251 | -0.799 | -0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 385 | ASP | -1 | -0.823 | -0.917 | 32.894 | -0.919 | -0.919 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 386 | ILE | 0 | -0.029 | -0.030 | 26.546 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 387 | ILE | 0 | -0.038 | -0.011 | 30.592 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 388 | GLU | -1 | -0.803 | -0.892 | 31.617 | -0.787 | -0.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 389 | LEU | 0 | -0.041 | -0.005 | 29.562 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 390 | PHE | 0 | 0.043 | -0.007 | 26.539 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 391 | LYS | 1 | 0.803 | 0.894 | 31.361 | 0.808 | 0.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 392 | ASN | 0 | 0.006 | -0.009 | 34.772 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 393 | GLY | 0 | 0.033 | 0.022 | 34.483 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 394 | ARG | 1 | 0.833 | 0.943 | 29.910 | 1.106 | 1.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 395 | SER | 0 | 0.033 | 0.003 | 27.996 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 396 | SER | 0 | 0.001 | 0.016 | 26.903 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 397 | VAL | 0 | 0.004 | -0.004 | 26.902 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 398 | SER | 0 | 0.018 | 0.013 | 24.234 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 399 | LEU | 0 | 0.022 | 0.020 | 25.760 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 400 | GLY | 0 | -0.003 | -0.008 | 24.359 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 401 | TYR | 0 | -0.012 | -0.021 | 25.376 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 402 | ILE | 0 | -0.037 | -0.032 | 22.169 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 403 | GLY | 0 | 0.063 | 0.045 | 26.092 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 404 | ILE | 0 | -0.007 | 0.003 | 28.127 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 405 | HIS | 0 | 0.023 | 0.025 | 30.280 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 406 | GLU | -1 | -0.719 | -0.845 | 28.500 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 407 | LEU | 0 | -0.034 | -0.014 | 31.894 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 408 | ASN | 0 | 0.012 | -0.016 | 33.850 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 409 | ILE | 0 | -0.011 | 0.010 | 33.553 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 410 | LEU | 0 | -0.022 | -0.001 | 33.070 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 411 | VAL | 0 | -0.042 | -0.013 | 37.176 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 412 | GLY | 0 | -0.023 | 0.002 | 39.752 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 413 | ARG | 1 | 0.814 | 0.893 | 40.512 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 414 | ASP | -1 | -0.823 | -0.903 | 37.879 | -0.449 | -0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 415 | ILE | 0 | -0.024 | -0.008 | 37.278 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 416 | GLY | 0 | 0.072 | 0.031 | 35.452 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 417 | ARG | 1 | 0.879 | 0.917 | 35.594 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 418 | GLU | -1 | -0.825 | -0.901 | 37.795 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 419 | ILE | 0 | -0.038 | -0.018 | 34.819 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 420 | LEU | 0 | 0.043 | 0.012 | 31.678 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 421 | THR | 0 | -0.022 | -0.017 | 35.354 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 422 | LYS | 1 | 0.937 | 0.966 | 38.676 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 423 | MET | 0 | -0.022 | -0.009 | 30.712 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 424 | ASN | 0 | 0.016 | -0.011 | 34.655 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 425 | ALA | 0 | -0.030 | -0.005 | 36.627 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 426 | HIS | 0 | 0.036 | 0.015 | 36.521 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 427 | LEU | 0 | 0.003 | 0.006 | 31.811 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 428 | LYS | 1 | 0.862 | 0.927 | 35.690 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 429 | GLN | 0 | 0.029 | 0.009 | 38.901 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 430 | TRP | 0 | -0.018 | -0.011 | 31.353 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 431 | THR | 0 | 0.001 | 0.012 | 35.726 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 432 | GLU | -1 | -0.859 | -0.914 | 37.145 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 433 | ARG | 1 | 0.913 | 0.973 | 39.102 | 0.632 | 0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 434 | THR | 0 | -0.068 | -0.065 | 35.781 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 435 | GLY | 0 | 0.023 | 0.028 | 37.292 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 436 | PHE | 0 | -0.015 | -0.018 | 31.830 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 437 | ALA | 0 | 0.052 | 0.023 | 32.230 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 438 | PHE | 0 | -0.031 | -0.015 | 30.600 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 439 | SER | 0 | -0.026 | -0.012 | 29.161 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 440 | LEU | 0 | 0.041 | 0.020 | 29.194 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 441 | TYR | 0 | -0.058 | -0.028 | 19.535 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 442 | SER | 0 | 0.024 | -0.023 | 25.352 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 443 | THR | 0 | -0.032 | -0.021 | 19.831 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 444 | PRO | 0 | -0.012 | -0.009 | 17.081 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 445 | ALA | 0 | 0.013 | -0.010 | 18.075 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 446 | GLU | -1 | -0.775 | -0.884 | 12.402 | -2.273 | -2.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 447 | ASN | 0 | 0.068 | 0.026 | 11.911 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 448 | LEU | 0 | -0.065 | -0.021 | 15.451 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 449 | CYS | 0 | 0.021 | 0.017 | 18.402 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 450 | TYR | 0 | 0.069 | 0.043 | 15.836 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 451 | ARG | 1 | 0.792 | 0.882 | 17.916 | 1.265 | 1.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 452 | PHE | 0 | 0.001 | -0.007 | 19.884 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 453 | CYS | 0 | 0.057 | 0.079 | 23.364 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 454 | LYS | 1 | 0.830 | 0.920 | 20.454 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 455 | LEU | 0 | -0.040 | -0.031 | 21.969 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 456 | ASP | -1 | -0.730 | -0.820 | 25.206 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 457 | THR | 0 | -0.026 | -0.025 | 26.538 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 458 | GLU | -1 | -0.867 | -0.917 | 24.524 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 459 | LYS | 1 | 0.850 | 0.947 | 28.794 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 460 | TYR | 0 | -0.052 | -0.071 | 31.522 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 461 | GLY | 0 | 0.014 | 0.024 | 31.164 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 462 | SER | 0 | -0.028 | -0.017 | 30.955 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 463 | VAL | 0 | 0.004 | 0.001 | 31.734 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 464 | LYS | 1 | 0.945 | 0.960 | 32.405 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 465 | ASP | -1 | -0.881 | -0.942 | 32.600 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 466 | VAL | 0 | -0.044 | -0.021 | 30.738 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 467 | THR | 0 | 0.007 | -0.032 | 27.846 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 468 | ASP | -1 | -0.851 | -0.905 | 27.547 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 469 | LYS | 1 | 0.835 | 0.917 | 26.180 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 470 | GLY | 0 | 0.002 | 0.002 | 23.673 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 471 | TRP | 0 | -0.067 | -0.059 | 21.851 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 472 | TYR | 0 | -0.081 | -0.076 | 23.558 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 473 | THR | 0 | 0.003 | -0.019 | 23.784 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 474 | ASN | 0 | -0.029 | -0.020 | 21.078 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 475 | SER | 0 | -0.014 | -0.021 | 24.221 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 476 | PHE | 0 | 0.011 | -0.011 | 26.524 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 477 | HIS | 0 | -0.090 | -0.031 | 24.522 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 478 | VAL | 0 | 0.008 | 0.002 | 29.021 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 479 | SER | 0 | 0.008 | 0.006 | 28.899 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 480 | VAL | 0 | 0.009 | -0.009 | 24.374 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 481 | GLU | -1 | -0.922 | -0.959 | 27.672 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 482 | GLU | -1 | -0.868 | -0.908 | 30.154 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 483 | ASN | 0 | -0.040 | -0.024 | 32.966 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 484 | ILE | 0 | -0.015 | 0.002 | 34.120 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 485 | THR | 0 | -0.025 | -0.032 | 34.559 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 486 | PRO | 0 | 0.024 | -0.010 | 33.113 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 487 | PHE | 0 | 0.014 | 0.007 | 34.460 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 488 | GLU | -1 | -0.807 | -0.877 | 37.527 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 489 | LYS | 1 | 0.837 | 0.899 | 28.167 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 490 | ILE | 0 | -0.003 | 0.002 | 33.120 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 491 | SER | 0 | -0.012 | -0.017 | 34.763 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 492 | ARG | 1 | 0.797 | 0.884 | 35.338 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 493 | GLU | -1 | -0.761 | -0.844 | 29.845 | -0.703 | -0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 494 | ALA | 0 | 0.014 | 0.011 | 33.543 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 495 | PRO | 0 | -0.002 | -0.013 | 35.258 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 496 | TYR | 0 | 0.017 | 0.004 | 31.969 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 497 | HIS | 0 | -0.040 | -0.029 | 29.442 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 498 | PHE | 0 | 0.012 | 0.003 | 32.689 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 499 | ILE | 0 | -0.019 | 0.012 | 35.017 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 500 | ALA | 0 | 0.024 | 0.013 | 29.809 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 501 | THR | 0 | 0.016 | 0.019 | 30.249 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 502 | GLY | 0 | 0.080 | 0.032 | 29.001 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 503 | GLY | 0 | -0.003 | -0.008 | 25.693 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 504 | HIS | 1 | 0.772 | 0.888 | 26.513 | 1.049 | 1.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 505 | ILE | 0 | 0.009 | 0.002 | 22.982 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 506 | SER | 0 | 0.007 | -0.002 | 26.408 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 507 | TYR | 0 | 0.020 | 0.013 | 20.831 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 508 | VAL | 0 | 0.016 | 0.007 | 26.569 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 509 | GLU | -1 | -0.829 | -0.891 | 24.589 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 510 | LEU | 0 | -0.026 | -0.024 | 27.355 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 511 | PRO | 0 | 0.039 | 0.020 | 27.734 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 512 | ASP | -1 | -0.786 | -0.901 | 28.289 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 513 | MET | 0 | -0.016 | 0.007 | 29.108 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 514 | LYS | 1 | 0.841 | 0.910 | 26.198 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 515 | ASN | 0 | -0.054 | -0.024 | 30.940 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 516 | ASN | 0 | 0.001 | -0.012 | 33.877 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 517 | LEU | 0 | 0.069 | 0.031 | 32.193 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 518 | LYS | 0 | 0.057 | 0.060 | 34.833 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 519 | GLY | 0 | 0.020 | 0.010 | 36.618 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 520 | LEU | 0 | -0.013 | -0.008 | 29.385 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 521 | GLU | -1 | -0.733 | -0.827 | 33.688 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 522 | ALA | 0 | 0.009 | 0.005 | 36.021 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 523 | VAL | 0 | -0.012 | -0.006 | 32.386 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 524 | TRP | 0 | 0.009 | -0.013 | 28.156 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 525 | ASP | -1 | -0.804 | -0.880 | 33.839 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 526 | TYR | 0 | -0.007 | -0.009 | 36.967 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 527 | ALA | 0 | 0.000 | 0.003 | 32.538 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 528 | ALA | 0 | 0.009 | -0.006 | 34.675 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 529 | GLN | 0 | -0.002 | 0.021 | 35.536 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 530 | HIS | 0 | -0.067 | -0.036 | 37.307 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 531 | LEU | 0 | -0.031 | -0.012 | 31.427 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 532 | ASP | -1 | -0.795 | -0.850 | 31.187 | -0.949 | -0.949 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 533 | TYR | 0 | -0.051 | -0.024 | 22.505 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 534 | PHE | 0 | 0.034 | -0.008 | 27.918 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 535 | GLY | 0 | 0.044 | 0.032 | 24.588 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 536 | VAL | 0 | -0.024 | -0.019 | 25.649 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 537 | ASN | 0 | -0.009 | -0.015 | 22.098 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 538 | MET | 0 | 0.015 | -0.003 | 23.330 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 539 | PRO | 0 | -0.007 | 0.011 | 22.495 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 540 | VAL | 0 | -0.056 | -0.022 | 19.640 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 541 | ASP | -1 | -0.741 | -0.870 | 19.942 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 542 | LYS | 1 | 0.839 | 0.912 | 20.408 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 543 | CYS | 0 | -0.012 | 0.019 | 20.325 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 544 | PHE | 0 | -0.021 | -0.033 | 16.254 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 545 | THR | 0 | -0.036 | -0.034 | 22.088 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 546 | CYS | 0 | -0.052 | -0.013 | 24.590 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 547 | GLY | 0 | 0.035 | 0.027 | 25.587 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 548 | SER | 0 | -0.014 | -0.016 | 26.189 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 549 | THR | 0 | -0.019 | -0.023 | 24.875 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 550 | HIS | 0 | -0.004 | 0.007 | 26.178 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 551 | GLU | -1 | -0.857 | -0.919 | 24.542 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 552 | MET | 0 | -0.045 | -0.032 | 21.302 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 553 | THR | 0 | -0.001 | 0.009 | 24.056 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 554 | PRO | 0 | 0.000 | -0.003 | 22.350 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 555 | THR | 0 | -0.021 | -0.017 | 22.269 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 556 | GLU | -1 | -0.890 | -0.949 | 21.726 | 0.819 | 0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 557 | ASN | 0 | -0.090 | -0.041 | 19.631 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 558 | GLY | 0 | 0.049 | 0.035 | 18.196 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 559 | PHE | 0 | -0.026 | -0.017 | 17.469 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 560 | VAL | 0 | -0.002 | 0.001 | 20.314 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 561 | CYS | 0 | -0.072 | -0.037 | 23.144 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 562 | SER | 0 | 0.048 | 0.017 | 25.092 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 563 | ILE | 0 | -0.002 | -0.008 | 28.589 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 564 | CYS | 0 | -0.075 | -0.023 | 26.632 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 565 | GLY | 0 | 0.047 | 0.033 | 27.090 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 566 | GLU | -1 | -0.820 | -0.918 | 21.402 | 1.278 | 1.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 567 | THR | 0 | -0.028 | -0.025 | 21.002 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 568 | ASP | -1 | -0.822 | -0.910 | 16.377 | 2.533 | 2.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 569 | PRO | 0 | 0.069 | 0.018 | 13.249 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 570 | LYS | 1 | 0.861 | 0.934 | 10.208 | -4.864 | -4.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 571 | LYS | 1 | 0.848 | 0.929 | 14.748 | -1.814 | -1.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 572 | MET | 0 | 0.002 | 0.015 | 16.780 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 573 | ASN | 0 | -0.031 | -0.015 | 14.587 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 574 | THR | 0 | 0.061 | 0.040 | 15.877 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 575 | ILE | 0 | -0.062 | -0.026 | 13.744 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 576 | ARG | 1 | 0.834 | 0.892 | 16.277 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 577 | ARG | 1 | 0.809 | 0.871 | 16.436 | 1.072 | 1.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 578 | THR | 0 | 0.044 | 0.023 | 16.473 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 579 | CYS | 0 | -0.049 | -0.007 | 16.517 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 580 | ALA | 0 | -0.053 | -0.027 | 16.481 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 581 | TYR | 0 | -0.091 | -0.058 | 12.663 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 582 | LEU | 0 | 0.005 | 0.008 | 14.121 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 583 | GLY | 0 | 0.022 | -0.002 | 11.773 | -0.728 | -0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 584 | ASN | 0 | 0.010 | 0.007 | 11.413 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 585 | PRO | 0 | -0.057 | -0.014 | 12.155 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 586 | ASN | -1 | -0.884 | -0.945 | 10.445 | 1.908 | 1.908 | 0.000 | 0.000 | 0.000 | 0.000 |