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: 5R4YZ
Calculation Name: 1O0S-A-Xray547
Preferred Name:
Target Type:
Ligand Name: 1,4-dihydronicotinamide adenine dinucleotide | tartronate
Ligand 3-letter code: NAI | TTN
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1O0S
Chain ID: A
UniProt ID: P27443
Base Structure: X-ray
Registration Date: 2025-10-03
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 602 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13433872.593073 |
|---|---|
| FMO2-HF: Nuclear repulsion | 13193473.609852 |
| FMO2-HF: Total energy | -240398.983221 |
| FMO2-MP2: Total energy | -241095.61104 |
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:2:SER)
Summations of interaction energy for
fragment #1(A:2:SER)
| 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. |
| -163.158 | -160.096 | 25.384 | -16.058 | -12.387 | -0.154 |
Interaction energy analysis for fragmet #1(A:2:SER)
| 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 | 4 | ALA | 0 | 0.067 | 0.030 | 2.830 | -8.648 | -6.068 | 0.318 | -1.379 | -1.519 | -0.012 |
| 4 | A | 5 | HIS | 0 | -0.001 | -0.010 | 5.322 | 3.552 | 3.643 | -0.001 | -0.004 | -0.086 | 0.000 |
| 580 | A | 581 | THR | 0 | -0.010 | -0.006 | 2.333 | -7.968 | -6.337 | 2.519 | -1.769 | -2.380 | -0.010 |
| 581 | A | 582 | TYR | 0 | -0.010 | -0.004 | 2.414 | -16.574 | -14.322 | 3.478 | -3.011 | -2.719 | -0.027 |
| 582 | A | 583 | ASP | -1 | -0.818 | -0.872 | 1.607 | -100.764 | -104.380 | 19.070 | -9.836 | -5.618 | -0.105 |
| 583 | A | 584 | TRP | 0 | -0.043 | -0.043 | 4.137 | 7.024 | 7.148 | 0.000 | -0.059 | -0.065 | 0.000 |
| 5 | A | 6 | HIS | 0 | -0.029 | -0.002 | 7.283 | 3.938 | 3.938 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 7 | GLU | -1 | -0.908 | -0.940 | 7.284 | -37.353 | -37.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 8 | ASP | -1 | -0.762 | -0.870 | 8.516 | -25.360 | -25.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 9 | VAL | 0 | -0.031 | -0.018 | 6.451 | -2.743 | -2.743 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 10 | TYR | 0 | -0.089 | -0.093 | 7.749 | 1.935 | 1.935 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 11 | SER | 0 | 0.026 | 0.009 | 9.680 | 3.538 | 3.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 12 | HIS | 0 | -0.004 | 0.008 | 8.992 | 1.423 | 1.423 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 13 | ASN | 0 | -0.029 | -0.031 | 11.878 | 1.205 | 1.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 14 | LEU | 0 | 0.015 | 0.030 | 14.860 | 1.065 | 1.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 15 | PRO | 0 | -0.010 | -0.001 | 17.316 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 16 | PRO | 0 | -0.013 | -0.023 | 20.567 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 17 | MET | 0 | -0.043 | -0.014 | 19.110 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 18 | ASP | -1 | -0.841 | -0.916 | 23.021 | -12.019 | -12.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 19 | GLU | -1 | -0.930 | -0.958 | 22.103 | -13.633 | -13.633 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 20 | LYS | 1 | 0.851 | 0.901 | 22.837 | 10.638 | 10.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 21 | GLU | -1 | -0.922 | -0.965 | 24.619 | -11.952 | -11.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 22 | MET | 0 | 0.024 | 0.015 | 17.344 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 23 | ALA | 0 | 0.009 | 0.002 | 20.057 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 24 | LEU | 0 | -0.029 | -0.012 | 21.567 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 25 | TYR | 0 | 0.010 | -0.011 | 15.985 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 26 | LYS | 1 | 0.786 | 0.865 | 13.777 | 20.884 | 20.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 27 | LEU | 0 | -0.034 | 0.007 | 18.775 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 28 | TYR | 0 | -0.004 | -0.021 | 21.842 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 29 | ARG | 1 | 0.800 | 0.917 | 12.612 | 21.801 | 21.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 30 | PRO | 0 | -0.010 | 0.004 | 18.217 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 31 | GLU | -1 | -0.764 | -0.851 | 14.212 | -21.509 | -21.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 32 | ARG | 1 | 0.793 | 0.888 | 8.807 | 28.827 | 28.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 33 | VAL | 0 | -0.005 | -0.001 | 13.997 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 34 | THR | 0 | -0.034 | -0.027 | 12.399 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 35 | PRO | 0 | -0.047 | -0.012 | 15.187 | 1.059 | 1.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 36 | LYS | 1 | 0.995 | 0.973 | 17.781 | 13.135 | 13.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 37 | LYS | 1 | 0.849 | 0.934 | 20.282 | 11.712 | 11.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 38 | ARG | 1 | 0.950 | 0.960 | 16.364 | 16.218 | 16.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 39 | SER | 0 | -0.014 | -0.027 | 21.282 | 0.671 | 0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 40 | ALA | 0 | 0.034 | 0.001 | 23.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 41 | GLU | -1 | -0.959 | -0.978 | 25.275 | -11.110 | -11.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 42 | LEU | 0 | -0.019 | 0.001 | 18.803 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 43 | LEU | 0 | -0.007 | -0.008 | 23.306 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 44 | LYS | 1 | 0.911 | 0.960 | 25.500 | 10.473 | 10.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 45 | GLU | -1 | -0.803 | -0.882 | 24.492 | -10.937 | -10.937 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 46 | PRO | 0 | -0.005 | 0.010 | 25.337 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 47 | ARG | 1 | 0.891 | 0.941 | 24.214 | 10.793 | 10.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 48 | LEU | 0 | -0.030 | -0.001 | 19.648 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 49 | ASN | 0 | -0.015 | -0.022 | 21.102 | -0.985 | -0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 50 | LYS | 1 | 0.904 | 0.942 | 16.086 | 18.739 | 18.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 51 | GLY | 0 | 0.005 | 0.011 | 22.788 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 52 | MET | 0 | -0.037 | -0.043 | 23.209 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 53 | GLY | 0 | 0.009 | 0.017 | 22.167 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 54 | PHE | 0 | -0.035 | 0.005 | 17.879 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 55 | SER | 0 | 0.023 | -0.018 | 14.876 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 56 | LEU | 0 | 0.014 | -0.005 | 16.577 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 57 | TYR | 0 | 0.069 | 0.029 | 11.653 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 58 | GLU | -1 | -0.733 | -0.819 | 13.781 | -19.464 | -19.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 59 | ARG | 1 | 0.782 | 0.876 | 14.943 | 14.652 | 14.652 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 60 | GLN | 0 | -0.005 | 0.000 | 15.010 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 61 | TYR | 0 | 0.045 | 0.026 | 8.689 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 62 | LEU | 0 | 0.010 | 0.005 | 14.197 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 63 | GLY | 0 | 0.018 | 0.012 | 17.051 | 0.970 | 0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 64 | LEU | 0 | -0.002 | 0.008 | 19.371 | 0.904 | 0.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 65 | HIS | 0 | 0.007 | 0.005 | 20.060 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 66 | GLY | 0 | 0.002 | 0.007 | 22.046 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 67 | LEU | 0 | -0.022 | -0.015 | 24.548 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 68 | LEU | 0 | -0.026 | -0.002 | 22.589 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 69 | PRO | 0 | 0.020 | 0.003 | 26.188 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 70 | PRO | 0 | 0.013 | 0.008 | 25.353 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 71 | ALA | 0 | 0.003 | 0.015 | 25.641 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 72 | PHE | 0 | 0.003 | 0.000 | 19.903 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 73 | MET | 0 | -0.060 | -0.028 | 22.828 | 0.602 | 0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 74 | THR | 0 | 0.102 | 0.057 | 21.940 | -0.456 | -0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 75 | GLN | 0 | 0.038 | -0.006 | 23.000 | 0.724 | 0.724 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 76 | GLU | -1 | -0.886 | -0.935 | 24.829 | -10.884 | -10.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 77 | GLN | 0 | 0.049 | 0.025 | 26.314 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 78 | GLN | 0 | -0.051 | -0.027 | 24.811 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 79 | ALA | 0 | 0.046 | 0.023 | 28.894 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 80 | TYR | 0 | 0.039 | 0.026 | 30.888 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 81 | ARG | 1 | 0.936 | 0.966 | 30.361 | 10.156 | 10.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 82 | VAL | 0 | -0.047 | -0.013 | 32.233 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 83 | ILE | 0 | 0.014 | -0.004 | 34.668 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 84 | THR | 0 | -0.023 | -0.011 | 36.516 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 85 | LYS | 1 | 0.980 | 0.994 | 37.908 | 8.341 | 8.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 86 | LEU | 0 | -0.055 | -0.017 | 37.518 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 87 | ARG | 1 | 0.836 | 0.877 | 39.247 | 8.136 | 8.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 88 | GLU | -1 | -0.912 | -0.954 | 41.207 | -7.503 | -7.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 89 | GLN | 0 | -0.082 | -0.034 | 41.297 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 90 | PRO | 0 | 0.016 | 0.001 | 45.142 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 91 | ASN | 0 | -0.006 | -0.003 | 47.768 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 92 | ASP | -1 | -0.756 | -0.877 | 46.131 | -6.889 | -6.889 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 93 | LEU | 0 | 0.013 | 0.011 | 45.508 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 94 | ALA | 0 | 0.019 | 0.010 | 45.200 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 95 | ARG | 1 | 0.778 | 0.874 | 42.106 | 6.824 | 6.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 96 | TYR | 0 | 0.035 | 0.021 | 40.912 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 97 | ILE | 0 | 0.008 | 0.015 | 40.650 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 98 | GLN | 0 | -0.028 | -0.008 | 36.876 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 99 | LEU | 0 | -0.005 | -0.013 | 36.036 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 100 | ASP | -1 | -0.788 | -0.861 | 35.844 | -8.428 | -8.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 101 | GLY | 0 | 0.074 | 0.027 | 36.106 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 102 | LEU | 0 | -0.108 | -0.057 | 30.525 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 103 | GLN | 0 | 0.038 | 0.029 | 31.461 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 104 | ASP | -1 | -0.774 | -0.889 | 31.303 | -9.250 | -9.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 105 | ARG | 1 | 0.865 | 0.938 | 29.581 | 9.664 | 9.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 106 | ASN | 0 | 0.010 | -0.011 | 25.334 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 107 | GLU | -1 | -0.761 | -0.884 | 26.562 | -11.038 | -11.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 108 | LYS | 1 | 0.783 | 0.879 | 20.755 | 14.619 | 14.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 109 | LEU | 0 | -0.003 | -0.001 | 25.626 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 110 | PHE | 0 | -0.025 | -0.017 | 27.898 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 111 | TYR | 0 | 0.061 | 0.019 | 28.579 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 112 | ARG | 1 | 0.877 | 0.932 | 25.489 | 11.813 | 11.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 113 | VAL | 0 | -0.014 | -0.013 | 29.270 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 114 | VAL | 0 | -0.013 | -0.013 | 32.584 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 115 | CYS | 0 | -0.064 | -0.029 | 31.098 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 116 | ASP | -1 | -0.879 | -0.908 | 30.973 | -10.253 | -10.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 117 | HIS | 0 | -0.022 | -0.019 | 33.760 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 118 | VAL | 0 | 0.063 | 0.037 | 36.733 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 119 | LYS | 1 | 0.922 | 0.948 | 38.349 | 7.135 | 7.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 120 | GLU | -1 | -0.822 | -0.871 | 40.753 | -7.543 | -7.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 121 | LEU | 0 | 0.021 | 0.000 | 36.819 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 122 | MET | 0 | 0.014 | 0.029 | 40.245 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 123 | PRO | 0 | -0.024 | -0.016 | 41.480 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 124 | ILE | 0 | -0.010 | 0.018 | 41.563 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 125 | VAL | 0 | 0.012 | -0.015 | 37.714 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 126 | TYR | 0 | -0.028 | -0.048 | 40.866 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 127 | THR | 0 | -0.044 | -0.017 | 43.563 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 128 | PRO | 0 | -0.009 | 0.011 | 46.846 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 129 | THR | 0 | -0.007 | -0.024 | 45.722 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 130 | VAL | 0 | -0.002 | 0.019 | 43.787 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 131 | GLY | 0 | 0.069 | 0.040 | 45.977 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 132 | LEU | 0 | -0.002 | 0.000 | 49.450 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 133 | ALA | 0 | 0.006 | -0.003 | 46.386 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 134 | CYS | 0 | -0.061 | -0.030 | 46.847 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 135 | GLN | 0 | -0.037 | -0.023 | 48.891 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 136 | ASN | 0 | -0.006 | -0.011 | 51.799 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 137 | PHE | 0 | -0.037 | -0.022 | 46.824 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 138 | GLY | 0 | 0.067 | 0.041 | 50.060 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 139 | TYR | 0 | -0.048 | -0.028 | 44.012 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 140 | ILE | 0 | -0.025 | -0.008 | 42.657 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 141 | TYR | 0 | -0.019 | -0.010 | 42.516 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 142 | ARG | 1 | 0.868 | 0.917 | 38.482 | 7.503 | 7.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 143 | LYS | 1 | 0.808 | 0.898 | 30.558 | 10.127 | 10.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 144 | PRO | 0 | 0.017 | 0.003 | 35.581 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 145 | LYS | 1 | 0.784 | 0.880 | 35.424 | 8.495 | 8.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 146 | GLY | 0 | 0.039 | 0.005 | 36.415 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 147 | LEU | 0 | -0.049 | -0.009 | 38.711 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 148 | TYR | 0 | 0.009 | 0.008 | 41.528 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 149 | ILE | 0 | -0.015 | -0.004 | 43.733 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 150 | THR | 0 | -0.004 | -0.027 | 47.338 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 151 | ILE | 0 | 0.018 | 0.002 | 51.108 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 152 | ASN | 0 | -0.002 | 0.002 | 53.391 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 153 | ASP | -1 | -0.843 | -0.902 | 48.714 | -6.465 | -6.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 154 | ASN | 0 | 0.010 | 0.000 | 50.134 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 155 | SER | 0 | -0.024 | -0.016 | 50.593 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 156 | VAL | 0 | 0.023 | 0.009 | 46.384 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 157 | SER | 0 | -0.012 | -0.012 | 46.210 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 158 | LYS | 1 | 0.929 | 0.984 | 45.648 | 5.923 | 5.923 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 159 | ILE | 0 | 0.055 | 0.031 | 44.363 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 160 | TYR | 0 | 0.011 | 0.008 | 38.710 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 161 | GLN | 0 | -0.011 | -0.001 | 40.956 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 162 | ILE | 0 | -0.034 | -0.008 | 40.998 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 163 | LEU | 0 | 0.004 | -0.014 | 38.955 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 164 | SER | 0 | -0.066 | -0.042 | 36.918 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 165 | ASN | 0 | -0.021 | 0.001 | 36.727 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 166 | TRP | 0 | -0.053 | -0.012 | 33.237 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 167 | HIS | 0 | -0.016 | -0.006 | 30.089 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 168 | GLU | -1 | -0.911 | -0.941 | 27.084 | -11.780 | -11.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 169 | GLU | -1 | -0.780 | -0.898 | 29.543 | -8.998 | -8.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 170 | ASP | -1 | -0.835 | -0.901 | 27.395 | -10.858 | -10.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 171 | VAL | 0 | -0.028 | -0.012 | 30.011 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 172 | ARG | 1 | 0.790 | 0.862 | 27.502 | 10.799 | 10.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 173 | ALA | 0 | 0.011 | 0.009 | 34.407 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 174 | ILE | 0 | 0.016 | 0.010 | 36.424 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 175 | VAL | 0 | -0.014 | 0.010 | 39.321 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 176 | VAL | 0 | -0.004 | -0.003 | 41.944 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 177 | THR | 0 | 0.025 | -0.004 | 45.083 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 178 | ASP | -1 | -0.772 | -0.883 | 48.245 | -6.000 | -6.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 179 | GLY | 0 | 0.043 | 0.030 | 50.802 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 180 | GLU | -1 | -0.783 | -0.860 | 51.778 | -5.355 | -5.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 181 | ARG | 1 | 0.718 | 0.804 | 52.036 | 6.155 | 6.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 182 | ILE | 0 | 0.033 | 0.040 | 50.281 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 183 | LEU | 0 | 0.011 | 0.007 | 50.646 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 184 | GLY | 0 | -0.049 | -0.025 | 52.842 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 185 | LEU | 0 | -0.069 | -0.030 | 52.473 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 186 | GLY | 0 | -0.011 | 0.007 | 55.732 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 187 | ASP | -1 | -0.752 | -0.825 | 55.138 | -5.757 | -5.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 188 | LEU | 0 | 0.016 | 0.008 | 51.986 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 189 | GLY | 0 | 0.046 | 0.018 | 53.184 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 190 | ALA | 0 | 0.019 | 0.004 | 49.817 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 191 | TYR | 0 | -0.001 | -0.009 | 48.572 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 192 | GLY | 0 | 0.016 | -0.006 | 47.998 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 193 | ILE | 0 | -0.008 | 0.000 | 42.315 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 194 | GLY | 0 | 0.004 | -0.009 | 42.746 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 195 | ILE | 0 | 0.014 | 0.009 | 42.825 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 196 | PRO | 0 | 0.004 | 0.001 | 42.006 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 197 | VAL | 0 | 0.004 | 0.006 | 37.756 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 198 | GLY | 0 | 0.020 | 0.011 | 38.210 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 199 | LYS | 1 | 0.772 | 0.865 | 39.534 | 7.014 | 7.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 200 | LEU | 0 | 0.011 | -0.006 | 35.694 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 201 | ALA | 0 | -0.029 | -0.007 | 34.852 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 202 | LEU | 0 | -0.001 | -0.011 | 35.096 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 203 | TYR | 0 | 0.003 | -0.031 | 35.196 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 204 | VAL | 0 | -0.037 | 0.008 | 29.838 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 205 | ALA | 0 | -0.027 | -0.023 | 32.002 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 206 | LEU | 0 | -0.045 | -0.031 | 33.466 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 207 | GLY | 0 | 0.078 | 0.012 | 34.668 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 208 | GLY | 0 | -0.007 | 0.012 | 30.304 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 209 | VAL | 0 | 0.008 | 0.003 | 29.458 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 210 | GLN | 0 | 0.026 | -0.003 | 24.266 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 211 | PRO | 0 | 0.020 | 0.008 | 26.835 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 212 | LYS | 1 | 0.823 | 0.912 | 24.234 | 12.420 | 12.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 213 | TRP | 0 | -0.017 | -0.006 | 26.964 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 214 | CYS | 0 | -0.023 | 0.006 | 31.046 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 215 | LEU | 0 | 0.008 | 0.006 | 33.766 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 216 | PRO | 0 | -0.010 | -0.007 | 36.257 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 217 | VAL | 0 | 0.004 | 0.002 | 39.526 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 218 | LEU | 0 | -0.017 | 0.004 | 42.764 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 219 | LEU | 0 | -0.030 | -0.020 | 46.350 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 220 | ASP | -1 | -0.789 | -0.898 | 49.233 | -5.920 | -5.920 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 221 | VAL | 0 | 0.004 | -0.018 | 51.889 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 222 | GLY | 0 | 0.024 | 0.024 | 55.305 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 223 | THR | 0 | -0.020 | -0.043 | 56.250 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 224 | ASN | 0 | -0.052 | -0.053 | 58.126 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 225 | ASN | 0 | -0.008 | -0.001 | 58.138 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 226 | MET | 0 | 0.039 | 0.001 | 60.791 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 227 | ASP | -1 | -0.873 | -0.914 | 60.918 | -5.062 | -5.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 228 | LEU | 0 | -0.009 | 0.000 | 55.535 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 229 | LEU | 0 | -0.059 | -0.023 | 59.172 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 230 | ASN | 0 | -0.093 | -0.062 | 61.746 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 231 | ASP | -1 | -0.840 | -0.901 | 56.963 | -5.579 | -5.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 232 | PRO | 0 | -0.055 | -0.022 | 59.113 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 233 | PHE | 0 | -0.026 | -0.024 | 54.333 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 234 | TYR | 0 | 0.020 | 0.045 | 53.698 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 235 | ILE | 0 | -0.037 | -0.021 | 49.351 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 236 | GLY | 0 | 0.019 | 0.005 | 51.593 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 237 | LEU | 0 | -0.062 | -0.044 | 53.109 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 238 | ARG | 1 | 0.898 | 0.954 | 55.883 | 5.173 | 5.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 239 | HIS | 0 | -0.062 | -0.041 | 58.001 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 240 | LYS | 1 | 0.994 | 0.996 | 59.982 | 4.836 | 4.836 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 241 | ARG | 1 | 0.707 | 0.848 | 54.076 | 5.760 | 5.760 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 242 | VAL | 0 | 0.023 | 0.013 | 58.517 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 243 | ARG | 1 | 0.782 | 0.831 | 59.109 | 5.221 | 5.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 244 | GLY | 0 | 0.032 | 0.035 | 61.215 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 245 | LYS | 1 | 1.017 | 0.988 | 60.580 | 4.846 | 4.846 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 246 | ASP | -1 | -0.865 | -0.914 | 58.572 | -5.363 | -5.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 247 | TYR | 0 | -0.024 | -0.027 | 54.248 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 248 | ASP | -1 | -0.824 | -0.912 | 55.151 | -5.595 | -5.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 249 | THR | 0 | -0.073 | -0.044 | 55.001 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 250 | LEU | 0 | -0.005 | 0.006 | 50.775 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 251 | LEU | 0 | -0.001 | 0.003 | 49.990 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 252 | ASP | -1 | -0.778 | -0.857 | 49.969 | -6.044 | -6.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 253 | ASN | 0 | -0.078 | -0.061 | 49.902 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 254 | PHE | 0 | 0.075 | 0.031 | 43.669 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 255 | MET | 0 | 0.022 | 0.034 | 45.332 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 256 | LYS | 1 | 0.953 | 0.993 | 44.967 | 6.005 | 6.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 257 | ALA | 0 | -0.026 | -0.012 | 44.122 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 258 | CYS | 0 | -0.001 | -0.001 | 40.930 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 259 | THR | 0 | -0.036 | -0.022 | 40.022 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 260 | LYS | 1 | 0.896 | 0.953 | 40.805 | 6.986 | 6.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 261 | LYS | 1 | 0.782 | 0.891 | 35.116 | 8.757 | 8.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 262 | TYR | 0 | 0.034 | 0.024 | 34.210 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 263 | GLY | 0 | 0.019 | 0.017 | 35.999 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 264 | GLN | 0 | 0.005 | -0.024 | 38.399 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 265 | LYS | 1 | 0.872 | 0.950 | 33.288 | 9.269 | 9.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 266 | THR | 0 | -0.033 | -0.015 | 37.038 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 267 | LEU | 0 | 0.015 | 0.014 | 37.906 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 268 | ILE | 0 | -0.016 | -0.015 | 39.660 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 269 | GLN | 0 | -0.036 | -0.016 | 42.300 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 270 | PHE | 0 | -0.004 | -0.021 | 43.982 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 271 | GLU | -1 | -0.692 | -0.806 | 45.844 | -6.960 | -6.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 272 | ASP | -1 | -0.754 | -0.862 | 48.058 | -6.345 | -6.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 273 | PHE | 0 | -0.035 | 0.009 | 48.743 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 274 | ALA | 0 | 0.023 | 0.003 | 53.298 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 275 | ASN | 0 | 0.043 | 0.015 | 56.773 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 276 | PRO | 0 | 0.017 | 0.000 | 57.715 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 277 | ASN | 0 | 0.001 | 0.006 | 55.735 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 278 | ALA | 0 | 0.034 | 0.012 | 53.370 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 279 | PHE | 0 | 0.035 | 0.007 | 53.881 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 280 | ARG | 1 | 0.838 | 0.904 | 56.185 | 5.458 | 5.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 281 | LEU | 0 | -0.023 | -0.011 | 52.424 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 282 | LEU | 0 | 0.010 | -0.002 | 50.321 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 283 | ASP | -1 | -0.947 | -0.961 | 52.718 | -5.599 | -5.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 284 | LYS | 1 | 0.813 | 0.914 | 54.271 | 5.759 | 5.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 285 | TYR | 0 | -0.029 | -0.073 | 49.242 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 286 | GLN | 0 | 0.022 | 0.017 | 49.222 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 287 | ASP | -1 | -0.886 | -0.938 | 48.688 | -6.230 | -6.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 288 | LYS | 1 | 0.806 | 0.902 | 49.615 | 5.949 | 5.949 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 289 | TYR | 0 | -0.030 | -0.030 | 45.177 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 290 | THR | 0 | 0.031 | 0.029 | 40.035 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 291 | MET | 0 | -0.063 | -0.002 | 42.940 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 292 | PHE | 0 | 0.046 | 0.019 | 41.710 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 293 | ASN | 0 | 0.030 | 0.005 | 46.730 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 294 | ASP | -1 | -0.729 | -0.857 | 45.699 | -6.874 | -6.874 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 295 | ASP | -1 | -0.801 | -0.883 | 47.766 | -6.272 | -6.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 296 | ILE | 0 | -0.057 | -0.005 | 51.125 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 297 | GLN | 0 | 0.067 | 0.024 | 49.061 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 298 | GLY | 0 | 0.046 | 0.033 | 47.509 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 299 | THR | 0 | -0.029 | -0.029 | 48.217 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 300 | ALA | 0 | -0.012 | -0.001 | 51.196 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 301 | SER | 0 | -0.031 | -0.019 | 47.965 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 302 | VAL | 0 | 0.015 | -0.002 | 47.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 303 | ILE | 0 | 0.011 | 0.028 | 49.470 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 304 | VAL | 0 | 0.035 | 0.017 | 52.344 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 305 | ALA | 0 | 0.001 | 0.008 | 48.523 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 306 | GLY | 0 | 0.046 | 0.034 | 50.551 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 307 | LEU | 0 | -0.024 | -0.013 | 52.620 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 308 | LEU | 0 | 0.014 | 0.005 | 51.308 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 309 | THR | 0 | -0.041 | -0.022 | 50.837 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 310 | CYS | 0 | -0.059 | -0.029 | 53.016 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 311 | THR | 0 | -0.002 | 0.011 | 56.190 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 312 | ARG | 1 | 0.767 | 0.876 | 48.515 | 6.491 | 6.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 313 | VAL | 0 | -0.057 | -0.026 | 55.974 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 314 | THR | 0 | 0.027 | -0.009 | 58.509 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 315 | LYS | 1 | 0.848 | 0.926 | 58.038 | 5.604 | 5.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 316 | LYS | 1 | 0.894 | 0.968 | 61.421 | 4.934 | 4.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 317 | LEU | 0 | 0.011 | 0.004 | 58.290 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 318 | VAL | 0 | 0.032 | 0.016 | 56.715 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 319 | SER | 0 | -0.048 | -0.061 | 59.981 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 320 | GLN | 0 | -0.021 | -0.016 | 62.558 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 321 | GLU | -1 | -0.828 | -0.891 | 62.608 | -4.889 | -4.889 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 322 | LYS | 1 | 0.863 | 0.933 | 64.710 | 4.563 | 4.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 323 | TYR | 0 | 0.028 | 0.002 | 59.708 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 324 | LEU | 0 | 0.004 | 0.001 | 64.917 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 325 | PHE | 0 | 0.019 | -0.001 | 59.920 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 326 | PHE | 0 | 0.007 | 0.000 | 64.816 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 327 | GLY | 0 | 0.042 | 0.028 | 64.591 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 328 | ALA | 0 | 0.036 | 0.024 | 64.438 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 329 | GLY | 0 | 0.051 | 0.018 | 62.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 330 | ALA | 0 | -0.029 | -0.016 | 58.006 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 331 | ALA | 0 | 0.043 | 0.028 | 56.734 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 332 | SER | 0 | 0.026 | -0.012 | 57.694 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 333 | THR | 0 | -0.045 | -0.012 | 60.534 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 334 | GLY | 0 | 0.063 | 0.034 | 56.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 335 | ILE | 0 | -0.024 | -0.020 | 55.530 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 336 | ALA | 0 | 0.012 | 0.018 | 57.226 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 337 | GLU | -1 | -0.785 | -0.873 | 58.325 | -5.377 | -5.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 338 | MET | 0 | -0.006 | 0.006 | 50.903 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 339 | ILE | 0 | 0.006 | 0.006 | 56.211 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 340 | VAL | 0 | -0.029 | -0.014 | 58.352 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 341 | HIS | 0 | -0.027 | -0.025 | 53.987 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 342 | GLN | 0 | -0.018 | -0.033 | 53.733 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 343 | MET | 0 | -0.073 | -0.025 | 56.482 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 344 | GLN | 0 | -0.005 | 0.001 | 59.288 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 345 | ASN | 0 | -0.060 | -0.032 | 54.099 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 346 | GLU | -1 | -0.818 | -0.873 | 56.930 | -5.615 | -5.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 347 | GLY | 0 | -0.012 | 0.002 | 58.832 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 348 | ILE | 0 | -0.053 | -0.006 | 61.640 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 349 | SER | 0 | -0.015 | -0.030 | 63.439 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 350 | LYS | 1 | 0.972 | 0.975 | 63.175 | 5.017 | 5.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 351 | GLU | -1 | -0.835 | -0.902 | 65.297 | -4.763 | -4.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 352 | GLU | -1 | -0.811 | -0.903 | 68.008 | -4.698 | -4.698 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 353 | ALA | 0 | 0.007 | 0.002 | 63.275 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 354 | CYS | 0 | -0.041 | -0.035 | 65.326 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 355 | ASN | 0 | -0.026 | -0.020 | 66.774 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 356 | ARG | 1 | 0.818 | 0.915 | 65.640 | 4.872 | 4.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 357 | ILE | 0 | -0.028 | -0.001 | 62.141 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 358 | TYR | 0 | 0.009 | -0.004 | 66.395 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 359 | LEU | 0 | 0.001 | 0.000 | 64.798 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 360 | MET | 0 | 0.026 | 0.021 | 68.218 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 361 | ASP | -1 | -0.874 | -0.936 | 68.115 | -4.653 | -4.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 362 | ILE | 0 | -0.021 | -0.005 | 69.700 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 363 | ASP | -1 | -0.855 | -0.912 | 71.743 | -4.295 | -4.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 364 | GLY | 0 | -0.005 | -0.002 | 73.342 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 365 | LEU | 0 | -0.031 | -0.019 | 72.613 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 366 | VAL | 0 | -0.021 | -0.001 | 69.702 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 367 | THR | 0 | -0.041 | -0.052 | 72.903 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 368 | LYS | 1 | 0.898 | 0.938 | 75.489 | 4.204 | 4.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 369 | ASN | 0 | -0.024 | 0.005 | 77.057 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 370 | ARG | 1 | 0.785 | 0.861 | 72.255 | 4.439 | 4.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 371 | LYS | 1 | 0.934 | 0.963 | 77.498 | 3.939 | 3.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 372 | GLU | -1 | -0.909 | -0.947 | 74.874 | -4.202 | -4.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 373 | MET | 0 | -0.001 | 0.003 | 71.109 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 374 | ASN | 0 | 0.009 | 0.002 | 64.885 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 375 | PRO | 0 | 0.053 | 0.011 | 66.370 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 376 | ARG | 1 | 0.783 | 0.859 | 58.593 | 5.378 | 5.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 377 | HIS | 0 | -0.022 | -0.023 | 64.715 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 378 | VAL | 0 | 0.008 | 0.014 | 67.712 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 379 | GLN | 0 | 0.015 | 0.003 | 63.103 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 380 | PHE | 0 | -0.005 | -0.006 | 62.696 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 381 | ALA | 0 | -0.008 | 0.023 | 68.883 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 382 | LYS | 1 | 0.817 | 0.912 | 69.434 | 4.638 | 4.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 383 | ASP | -1 | -0.941 | -0.981 | 74.515 | -4.032 | -4.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 384 | MET | 0 | -0.017 | 0.004 | 75.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 385 | PRO | 0 | 0.021 | 0.010 | 79.368 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 386 | GLU | -1 | -0.822 | -0.879 | 78.873 | -4.069 | -4.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 387 | THR | 0 | -0.004 | -0.019 | 77.085 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 388 | THR | 0 | 0.009 | -0.001 | 75.572 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 389 | SER | 0 | -0.027 | -0.006 | 75.449 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 390 | ILE | 0 | 0.057 | 0.011 | 69.980 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 391 | LEU | 0 | 0.048 | 0.027 | 73.382 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 392 | GLU | -1 | -0.892 | -0.924 | 75.506 | -3.987 | -3.987 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 393 | VAL | 0 | 0.025 | 0.010 | 72.398 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 394 | ILE | 0 | -0.009 | -0.004 | 70.240 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 395 | ARG | 1 | 0.896 | 0.945 | 73.236 | 4.008 | 4.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 396 | ALA | 0 | -0.037 | -0.012 | 76.668 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 397 | ALA | 0 | 0.016 | 0.012 | 71.853 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 398 | ARG | 1 | 0.856 | 0.940 | 72.801 | 4.278 | 4.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 399 | PRO | 0 | -0.024 | -0.008 | 67.549 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 400 | GLY | 0 | 0.088 | 0.054 | 65.758 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 401 | ALA | 0 | -0.068 | -0.038 | 62.001 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 402 | LEU | 0 | -0.013 | 0.001 | 63.887 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 403 | ILE | 0 | -0.015 | -0.013 | 59.430 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 404 | GLY | 0 | 0.008 | 0.010 | 61.849 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 405 | ALA | 0 | -0.006 | -0.014 | 59.466 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 406 | SER | 0 | -0.024 | -0.011 | 61.062 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 407 | THR | 0 | -0.009 | 0.003 | 60.999 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 408 | VAL | 0 | -0.020 | -0.022 | 63.416 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 409 | ARG | 1 | 0.937 | 0.951 | 62.793 | 5.004 | 5.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 410 | GLY | 0 | -0.007 | 0.000 | 65.244 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 411 | ALA | 0 | -0.005 | 0.008 | 67.164 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 412 | PHE | 0 | -0.065 | -0.042 | 63.459 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 413 | ASN | 0 | 0.082 | 0.028 | 67.796 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 414 | GLU | -1 | -0.781 | -0.885 | 70.445 | -4.436 | -4.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 415 | GLU | -1 | -0.906 | -0.953 | 71.723 | -4.187 | -4.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 416 | VAL | 0 | -0.049 | -0.022 | 68.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 417 | ILE | 0 | -0.024 | -0.016 | 66.307 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 418 | ARG | 1 | 0.830 | 0.903 | 69.093 | 4.475 | 4.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 419 | ALA | 0 | 0.015 | 0.016 | 72.032 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 420 | MET | 0 | -0.021 | -0.005 | 66.142 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 421 | ALA | 0 | -0.045 | -0.026 | 68.374 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 422 | GLU | -1 | -0.899 | -0.938 | 69.903 | -4.240 | -4.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 423 | ILE | 0 | -0.047 | -0.030 | 70.753 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 424 | ASN | 0 | -0.086 | -0.053 | 67.099 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 425 | GLU | -1 | -0.907 | -0.945 | 67.026 | -4.772 | -4.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 426 | ARG | 1 | 0.851 | 0.903 | 59.507 | 5.235 | 5.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 427 | PRO | 0 | 0.004 | 0.025 | 63.522 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 428 | ILE | 0 | 0.001 | -0.005 | 59.269 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 429 | ILE | 0 | 0.001 | 0.003 | 61.024 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 430 | PHE | 0 | -0.021 | -0.019 | 55.146 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 431 | ALA | 0 | 0.015 | 0.013 | 58.573 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 432 | LEU | 0 | -0.006 | -0.021 | 55.468 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 433 | SER | 0 | -0.066 | -0.039 | 56.563 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 434 | ASN | 0 | -0.006 | 0.019 | 54.456 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 435 | PRO | 0 | 0.011 | -0.010 | 55.314 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 436 | THR | 0 | 0.069 | 0.038 | 55.029 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 437 | SER | 0 | -0.051 | -0.030 | 57.676 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 438 | LYS | 1 | 0.929 | 0.953 | 59.998 | 5.257 | 5.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 439 | ALA | 0 | 0.041 | 0.045 | 59.070 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 440 | GLU | -1 | -0.705 | -0.837 | 60.976 | -5.195 | -5.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 441 | CYS | 0 | -0.013 | 0.011 | 62.576 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 442 | THR | 0 | -0.035 | -0.022 | 60.446 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 443 | ALA | 0 | 0.028 | 0.004 | 57.568 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 444 | GLU | -1 | -0.915 | -0.945 | 59.710 | -5.117 | -5.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 445 | GLU | -1 | -0.812 | -0.876 | 62.126 | -4.891 | -4.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 446 | ALA | 0 | 0.021 | 0.012 | 61.643 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 447 | TYR | 0 | -0.016 | 0.001 | 56.651 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 448 | THR | 0 | 0.026 | 0.000 | 63.379 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 449 | PHE | 0 | -0.026 | -0.023 | 66.503 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 450 | THR | 0 | -0.032 | -0.029 | 65.009 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 451 | ASN | 0 | -0.034 | -0.017 | 67.411 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 452 | GLY | 0 | 0.024 | 0.014 | 63.258 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 453 | ALA | 0 | -0.004 | 0.002 | 62.596 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 454 | ALA | 0 | -0.003 | 0.007 | 62.345 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 455 | LEU | 0 | -0.031 | -0.017 | 57.980 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 456 | TYR | 0 | 0.009 | -0.024 | 56.848 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 457 | ALA | 0 | -0.034 | -0.018 | 53.800 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 458 | SER | 0 | 0.001 | -0.015 | 54.288 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 459 | GLY | 0 | 0.002 | 0.012 | 53.216 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 460 | SER | 0 | -0.021 | -0.029 | 51.877 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 461 | PRO | 0 | -0.047 | -0.014 | 49.250 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 462 | PHE | 0 | 0.058 | 0.027 | 52.135 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 463 | PRO | 0 | -0.021 | -0.016 | 53.224 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 464 | ASN | 0 | -0.039 | -0.026 | 50.584 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 465 | PHE | 0 | 0.045 | 0.023 | 54.547 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 466 | GLU | -1 | -0.951 | -0.980 | 56.806 | -5.747 | -5.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 467 | LEU | 0 | 0.020 | 0.023 | 60.006 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 468 | ASN | 0 | -0.032 | -0.037 | 63.269 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 469 | GLY | 0 | 0.028 | 0.026 | 61.694 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 470 | HIS | 0 | 0.004 | 0.015 | 59.621 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 471 | THR | 0 | -0.003 | -0.008 | 54.084 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 472 | TYR | 0 | -0.028 | -0.005 | 56.183 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 473 | LYS | 1 | 0.907 | 0.942 | 48.423 | 6.456 | 6.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 474 | PRO | 0 | 0.045 | 0.035 | 52.302 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 475 | GLY | 0 | -0.019 | -0.007 | 50.681 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 476 | GLN | 0 | 0.002 | -0.009 | 47.193 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 477 | GLY | 0 | 0.074 | 0.039 | 49.433 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 478 | ASN | 0 | -0.016 | -0.019 | 45.161 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 479 | ASN | 0 | 0.048 | -0.005 | 46.255 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 480 | ALA | 0 | 0.011 | 0.011 | 41.817 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 481 | TYR | 0 | -0.087 | -0.070 | 41.354 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 482 | ILE | 0 | -0.026 | -0.004 | 42.483 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 483 | PHE | 0 | 0.020 | 0.005 | 39.949 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 484 | PRO | 0 | -0.009 | 0.017 | 37.052 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 485 | GLY | 0 | 0.064 | 0.030 | 36.943 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 486 | VAL | 0 | 0.015 | 0.007 | 38.182 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 487 | ALA | 0 | -0.024 | 0.007 | 37.296 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 488 | LEU | 0 | -0.011 | 0.001 | 31.106 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 489 | GLY | 0 | 0.041 | 0.002 | 34.537 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 490 | THR | 0 | -0.052 | -0.041 | 36.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 491 | ILE | 0 | -0.034 | -0.016 | 32.211 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 492 | LEU | 0 | -0.018 | -0.002 | 29.575 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 493 | PHE | 0 | 0.015 | 0.005 | 32.494 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 494 | GLN | 0 | -0.011 | -0.006 | 33.240 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 495 | ILE | 0 | -0.018 | -0.002 | 36.909 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 496 | ARG | 1 | 0.888 | 0.946 | 40.340 | 7.273 | 7.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 497 | HIS | 0 | -0.017 | -0.005 | 42.915 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 498 | VAL | 0 | -0.002 | 0.000 | 43.243 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 499 | ASP | -1 | -0.802 | -0.899 | 45.986 | -6.493 | -6.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 500 | ASN | 0 | 0.016 | -0.017 | 48.682 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 501 | ASP | -1 | -0.818 | -0.890 | 49.880 | -6.135 | -6.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 502 | LEU | 0 | -0.005 | 0.001 | 43.493 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 503 | PHE | 0 | 0.012 | -0.007 | 45.814 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 504 | LEU | 0 | 0.021 | 0.023 | 47.791 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 505 | LEU | 0 | -0.081 | -0.021 | 42.464 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 506 | ALA | 0 | 0.018 | 0.001 | 43.853 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 507 | ALA | 0 | 0.002 | 0.002 | 44.798 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 508 | LYS | 1 | 0.969 | 0.971 | 47.908 | 6.381 | 6.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 509 | LYS | 1 | 0.830 | 0.933 | 40.394 | 7.757 | 7.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 510 | VAL | 0 | 0.029 | 0.018 | 43.463 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 511 | ALA | 0 | 0.016 | 0.006 | 45.072 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 512 | SER | 0 | -0.094 | -0.058 | 44.764 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 513 | CYS | 0 | -0.025 | -0.009 | 41.933 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 514 | VAL | 0 | -0.037 | 0.001 | 44.053 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 515 | THR | 0 | 0.057 | 0.029 | 43.808 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 516 | GLU | -1 | -0.747 | -0.872 | 46.973 | -6.180 | -6.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 517 | ASP | -1 | -0.888 | -0.942 | 47.253 | -6.575 | -6.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 518 | SER | 0 | -0.122 | -0.070 | 47.693 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 519 | LEU | 0 | 0.053 | 0.033 | 49.787 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 520 | LYS | 1 | 0.831 | 0.912 | 50.861 | 6.450 | 6.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 521 | VAL | 0 | -0.053 | -0.021 | 51.759 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 522 | GLY | 0 | 0.059 | 0.028 | 54.434 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 523 | ARG | 1 | 0.805 | 0.924 | 47.736 | 6.553 | 6.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 524 | VAL | 0 | 0.012 | -0.010 | 51.757 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 525 | TYR | 0 | 0.006 | -0.030 | 47.418 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 526 | PRO | 0 | 0.049 | 0.033 | 43.106 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 527 | GLN | 0 | -0.008 | -0.005 | 41.735 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 528 | LEU | 0 | 0.034 | 0.006 | 41.180 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 529 | LYS | 1 | 0.850 | 0.920 | 36.842 | 8.161 | 8.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 530 | GLU | -1 | -0.816 | -0.898 | 36.218 | -8.794 | -8.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 531 | ILE | 0 | -0.035 | -0.010 | 37.406 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 532 | ARG | 1 | 0.986 | 1.013 | 29.948 | 9.984 | 9.984 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 533 | GLU | -1 | -0.738 | -0.817 | 33.020 | -9.677 | -9.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 534 | ILE | 0 | 0.003 | -0.016 | 34.832 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 535 | SER | 0 | 0.011 | -0.009 | 35.067 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 536 | ILE | 0 | 0.016 | 0.012 | 30.374 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 537 | GLN | 0 | -0.054 | -0.038 | 34.181 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 538 | ILE | 0 | -0.026 | -0.007 | 37.265 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 539 | ALA | 0 | 0.011 | 0.007 | 34.782 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 540 | VAL | 0 | 0.027 | 0.009 | 33.738 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 541 | GLU | -1 | -0.853 | -0.912 | 36.325 | -7.568 | -7.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 542 | MET | 0 | -0.006 | 0.001 | 39.219 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 543 | ALA | 0 | 0.043 | 0.042 | 36.556 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 544 | LYS | 1 | 0.874 | 0.933 | 38.521 | 8.155 | 8.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 545 | TYR | 0 | -0.027 | -0.019 | 40.861 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 546 | CYS | 0 | 0.004 | -0.003 | 40.769 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 547 | TYR | 0 | -0.011 | -0.024 | 35.560 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 548 | LYS | 1 | 0.904 | 0.959 | 41.649 | 7.196 | 7.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 549 | ASN | 0 | 0.054 | 0.051 | 45.091 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 550 | GLY | 0 | 0.009 | 0.021 | 43.680 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 551 | THR | 0 | -0.037 | -0.052 | 43.951 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 552 | ALA | 0 | -0.017 | -0.001 | 38.324 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 553 | ASN | 0 | -0.017 | -0.007 | 38.342 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 554 | LEU | 0 | -0.056 | -0.003 | 30.905 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 555 | TYR | 0 | 0.012 | 0.032 | 34.494 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 556 | PRO | 0 | 0.008 | -0.005 | 31.440 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 557 | GLN | 0 | 0.024 | 0.004 | 33.279 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 558 | PRO | 0 | -0.061 | -0.020 | 29.897 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 559 | GLU | -1 | -0.836 | -0.911 | 29.695 | -10.415 | -10.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 560 | ASP | -1 | -0.837 | -0.912 | 29.113 | -10.198 | -10.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 561 | LEU | 0 | 0.012 | -0.011 | 30.080 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 562 | GLU | -1 | -0.802 | -0.888 | 31.173 | -9.634 | -9.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 563 | LYS | 1 | 0.923 | 0.958 | 26.170 | 11.226 | 11.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 564 | TYR | 0 | -0.029 | -0.018 | 26.369 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 565 | VAL | 0 | -0.018 | -0.013 | 27.256 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 566 | ARG | 1 | 0.689 | 0.773 | 26.914 | 10.014 | 10.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 567 | ALA | 0 | -0.013 | 0.012 | 22.736 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 568 | GLN | 0 | -0.005 | 0.001 | 23.404 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 569 | VAL | 0 | -0.032 | 0.004 | 25.993 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 570 | TYR | 0 | -0.045 | -0.032 | 24.653 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 571 | ASN | 0 | 0.055 | 0.036 | 19.657 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 572 | THR | 0 | 0.027 | 0.006 | 23.484 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 573 | GLU | -1 | -0.884 | -0.925 | 20.441 | -13.525 | -13.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 574 | TYR | 0 | -0.062 | -0.063 | 18.820 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 575 | GLU | -1 | -0.811 | -0.879 | 16.252 | -16.677 | -16.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 576 | GLU | -1 | -0.912 | -0.956 | 9.860 | -27.586 | -27.586 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 577 | LEU | 0 | -0.010 | -0.006 | 13.365 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 578 | ILE | 0 | 0.039 | 0.012 | 8.641 | 0.896 | 0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 579 | ASN | 0 | 0.037 | 0.032 | 8.485 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 580 | ALA | 0 | 0.027 | 0.021 | 5.472 | -2.853 | -2.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 585 | PRO | 0 | 0.054 | 0.006 | 7.369 | -2.075 | -2.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 586 | GLU | -1 | -0.917 | -0.958 | 8.975 | -23.219 | -23.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 587 | GLN | 0 | -0.038 | -0.028 | 9.912 | 0.718 | 0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 588 | ASP | -1 | -0.898 | -0.957 | 11.694 | -18.581 | -18.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 589 | MET | 0 | -0.027 | 0.017 | 5.092 | -2.208 | -2.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 590 | ARG | 1 | 0.843 | 0.949 | 9.922 | 16.296 | 16.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 591 | HIS | 0 | 0.014 | 0.006 | 11.073 | 1.752 | 1.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 592 | GLY | 0 | 0.000 | -0.003 | 15.044 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 593 | PHE | 0 | -0.022 | -0.015 | 18.784 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 594 | PRO | 0 | 0.009 | 0.012 | 19.693 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 595 | VAL | 0 | 0.028 | 0.001 | 20.672 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 596 | PRO | 0 | -0.016 | -0.003 | 24.186 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 597 | VAL | 0 | 0.011 | 0.003 | 25.941 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 598 | VAL | 0 | 0.002 | 0.000 | 28.712 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 599 | ARG | 1 | 0.906 | 0.956 | 28.248 | 10.350 | 10.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 600 | HIS | 0 | 0.018 | 0.004 | 30.733 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 601 | ASP | -1 | -0.898 | -0.942 | 33.473 | -8.540 | -8.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 602 | SER | 0 | -0.080 | -0.058 | 35.917 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 603 | MET | -1 | -0.943 | -0.949 | 37.727 | -7.417 | -7.417 | 0.000 | 0.000 | 0.000 | 0.000 |