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: QV2LY
Calculation Name: 1BPO-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1BPO
Chain ID: A
UniProt ID: P11442
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptHSide |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 487 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -8836277.627761 |
|---|---|
| FMO2-HF: Nuclear repulsion | 8644944.852633 |
| FMO2-HF: Total energy | -191332.775128 |
| FMO2-MP2: Total energy | -191887.484626 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -2.126 | 0.458 | 0.156 | -0.052 | -2.687 | 0 |
Interaction energy analysis for fragmet #1(A:1:MET)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 3 | GLN | 0 | 0.009 | 0.002 | 3.236 | -1.679 | 0.793 | 0.157 | -0.027 | -2.602 | 0.000 |
| 4 | A | 4 | ILE | 0 | -0.007 | 0.009 | 6.097 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 5 | LEU | 0 | 0.011 | 0.008 | 5.815 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 6 | PRO | 0 | 0.007 | 0.005 | 8.155 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | ILE | 0 | -0.014 | -0.002 | 9.585 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | ARG | 1 | 0.898 | 0.940 | 11.300 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | PHE | 0 | -0.034 | -0.041 | 11.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | GLN | 0 | 0.007 | 0.003 | 13.416 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | GLU | -1 | -0.883 | -0.940 | 16.560 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | HIS | 0 | -0.048 | -0.033 | 19.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | LEU | 0 | 0.019 | 0.001 | 22.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | GLN | 0 | 0.009 | 0.010 | 22.597 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | LEU | 0 | 0.033 | -0.001 | 24.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | GLN | 0 | 0.023 | 0.007 | 27.315 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | ASN | 0 | -0.010 | 0.017 | 25.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | LEU | 0 | -0.044 | -0.012 | 29.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | GLY | 0 | -0.036 | -0.034 | 31.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | ILE | 0 | -0.085 | -0.028 | 31.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | ASN | 0 | 0.051 | 0.016 | 32.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | PRO | 0 | 0.058 | 0.010 | 28.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | ALA | 0 | -0.067 | -0.017 | 30.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | ASN | 0 | -0.072 | -0.060 | 33.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | ILE | 0 | 0.031 | 0.038 | 26.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | GLY | 0 | 0.049 | 0.007 | 28.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | PHE | 0 | 0.008 | 0.007 | 29.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | SER | 0 | 0.011 | 0.014 | 30.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | THR | 0 | -0.021 | -0.013 | 33.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | LEU | 0 | -0.041 | 0.004 | 28.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | THR | 0 | -0.009 | -0.007 | 31.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | MET | 0 | 0.008 | 0.000 | 24.678 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | GLU | -1 | -0.801 | -0.883 | 29.703 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | SER | 0 | -0.036 | -0.036 | 29.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | ASP | -1 | -0.811 | -0.882 | 26.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | LYS | 1 | 0.919 | 0.940 | 28.292 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | PHE | 0 | -0.002 | -0.009 | 31.572 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | ILE | 0 | -0.011 | 0.005 | 27.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | CYS | 0 | -0.047 | -0.023 | 31.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | ILE | 0 | 0.000 | 0.009 | 32.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | ARG | 1 | 0.842 | 0.937 | 35.076 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | GLU | -1 | -0.756 | -0.875 | 35.750 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | LYS | 1 | 0.794 | 0.873 | 39.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | VAL | 0 | 0.001 | 0.011 | 40.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | GLY | 0 | 0.050 | 0.034 | 42.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | GLU | -1 | -0.822 | -0.904 | 45.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | GLN | 0 | -0.017 | -0.011 | 46.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | ALA | 0 | 0.005 | 0.011 | 43.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | GLN | 0 | -0.012 | -0.017 | 41.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | VAL | 0 | -0.012 | -0.008 | 38.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | VAL | 0 | -0.010 | -0.008 | 35.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | ILE | 0 | -0.024 | -0.029 | 36.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | ILE | 0 | 0.021 | 0.004 | 30.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | ASP | -1 | -0.727 | -0.847 | 32.817 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 55 | MET | 0 | -0.021 | -0.019 | 26.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 56 | ASN | 0 | -0.064 | -0.035 | 29.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 57 | ASP | -1 | -0.814 | -0.888 | 32.036 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | PRO | 0 | -0.038 | -0.014 | 28.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | SER | 0 | -0.037 | -0.035 | 31.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | ASN | 0 | -0.090 | -0.062 | 32.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | PRO | 0 | -0.026 | -0.007 | 33.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | ILE | 0 | 0.011 | 0.028 | 36.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | ARG | 1 | 0.844 | 0.901 | 36.583 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | ARG | 1 | 0.848 | 0.919 | 41.340 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | PRO | 0 | 0.001 | 0.030 | 43.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | ILE | 0 | 0.014 | -0.032 | 43.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | SER | 0 | -0.023 | 0.010 | 44.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | ALA | 0 | 0.011 | -0.007 | 43.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | ASP | -1 | -0.780 | -0.866 | 42.953 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | SER | 0 | -0.072 | -0.047 | 38.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | ALA | 0 | 0.041 | 0.013 | 38.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | ILE | 0 | 0.005 | 0.038 | 35.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | MET | 0 | 0.015 | 0.007 | 35.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | ASN | 0 | 0.015 | 0.007 | 36.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | PRO | 0 | -0.017 | -0.008 | 34.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | ALA | 0 | 0.019 | -0.002 | 34.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | SER | 0 | 0.018 | 0.027 | 36.954 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | LYS | 1 | 0.887 | 0.951 | 38.219 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | VAL | 0 | -0.019 | -0.021 | 40.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | ILE | 0 | -0.031 | -0.022 | 39.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | ALA | 0 | 0.026 | 0.011 | 41.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | LEU | 0 | -0.046 | -0.014 | 41.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | LYS | 1 | 0.849 | 0.916 | 42.889 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | ALA | 0 | 0.006 | 0.006 | 45.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | GLY | 0 | 0.102 | 0.048 | 46.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | LYS | 1 | 0.783 | 0.876 | 47.547 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | THR | 0 | -0.065 | -0.017 | 49.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | LEU | 0 | -0.033 | 0.000 | 45.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | GLN | 0 | 0.010 | -0.017 | 46.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | ILE | 0 | 0.028 | 0.017 | 44.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | PHE | 0 | -0.075 | -0.024 | 45.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | ASN | 0 | 0.111 | 0.043 | 45.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | ILE | 0 | -0.011 | -0.014 | 41.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | GLU | -1 | -0.856 | -0.925 | 43.090 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | MET | 0 | -0.003 | -0.002 | 45.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | LYS | 1 | 0.880 | 0.930 | 47.857 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | SER | 0 | 0.062 | 0.050 | 49.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | LYS | 1 | 0.857 | 0.910 | 49.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | MET | 0 | 0.029 | 0.014 | 46.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | LYS | 1 | 0.872 | 0.957 | 49.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | ALA | 0 | -0.047 | -0.033 | 49.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | HIS | 0 | 0.046 | 0.010 | 50.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | THR | 0 | -0.022 | -0.002 | 50.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | MET | 0 | 0.003 | 0.016 | 47.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | THR | 0 | -0.001 | 0.002 | 51.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | ASP | -1 | -0.795 | -0.922 | 49.050 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | ASP | -1 | -0.872 | -0.924 | 46.526 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | VAL | 0 | -0.041 | -0.021 | 42.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | THR | 0 | -0.038 | -0.034 | 40.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | PHE | 0 | -0.005 | 0.003 | 33.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | TRP | 0 | -0.027 | -0.030 | 37.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | LYS | 1 | 0.908 | 0.935 | 31.279 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | TRP | 0 | -0.053 | -0.029 | 36.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | ILE | 0 | -0.043 | -0.017 | 35.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | SER | 0 | 0.030 | 0.002 | 36.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | LEU | 0 | 0.039 | 0.002 | 37.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | ASN | 0 | -0.023 | -0.013 | 39.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | THR | 0 | 0.007 | 0.029 | 41.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | VAL | 0 | -0.029 | -0.001 | 40.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | ALA | 0 | 0.045 | 0.026 | 38.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | LEU | 0 | -0.043 | -0.025 | 40.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | VAL | 0 | 0.051 | 0.022 | 38.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | THR | 0 | -0.015 | 0.006 | 41.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | ASP | -1 | -0.896 | -0.953 | 43.479 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | ASN | 0 | -0.027 | -0.026 | 44.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | ALA | 0 | 0.037 | 0.030 | 45.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | VAL | 0 | 0.042 | 0.045 | 40.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | TYR | 0 | 0.003 | -0.002 | 43.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | HIS | 0 | 0.077 | 0.047 | 41.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | TRP | 0 | -0.010 | -0.010 | 44.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | SER | 0 | 0.067 | 0.053 | 45.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | MET | 0 | -0.056 | -0.026 | 43.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | GLU | -1 | -0.801 | -0.905 | 46.880 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | GLY | 0 | -0.013 | -0.012 | 49.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | GLU | -1 | -0.863 | -0.936 | 53.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | SER | 0 | -0.089 | -0.024 | 51.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | GLN | 0 | 0.049 | 0.013 | 52.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | PRO | 0 | -0.039 | -0.025 | 48.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | VAL | 0 | 0.011 | 0.011 | 48.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | LYS | 1 | 0.792 | 0.894 | 47.743 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | MET | 0 | -0.005 | 0.001 | 43.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | PHE | 0 | -0.058 | -0.039 | 39.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | ASP | -1 | -0.779 | -0.877 | 46.032 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | ARG | 1 | 0.824 | 0.908 | 40.874 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | HIS | 0 | 0.061 | 0.052 | 41.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | SER | 0 | 0.039 | -0.001 | 42.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | SER | 0 | -0.045 | -0.047 | 38.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | LEU | 0 | -0.030 | -0.019 | 36.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | ALA | 0 | 0.004 | 0.001 | 39.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | GLY | 0 | 0.015 | 0.009 | 40.862 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | CYS | 0 | -0.087 | -0.023 | 36.059 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | GLN | 0 | -0.011 | -0.006 | 33.478 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | ILE | 0 | 0.041 | 0.011 | 34.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | ILE | 0 | -0.039 | -0.024 | 28.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | ASN | 0 | -0.020 | -0.019 | 28.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | TYR | 0 | 0.000 | -0.024 | 32.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | ARG | 1 | 0.820 | 0.896 | 26.158 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | THR | 0 | 0.025 | 0.014 | 33.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | ASP | -1 | -0.732 | -0.850 | 33.946 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | ALA | 0 | 0.037 | 0.016 | 34.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | LYS | 1 | 0.847 | 0.906 | 36.263 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | GLN | 0 | -0.037 | -0.016 | 38.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | LYS | 1 | 0.817 | 0.880 | 39.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | TRP | 0 | -0.023 | 0.000 | 37.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | LEU | 0 | -0.040 | -0.019 | 37.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | LEU | 0 | 0.005 | -0.002 | 31.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | LEU | 0 | -0.007 | 0.007 | 35.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | THR | 0 | 0.026 | 0.005 | 29.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | GLY | 0 | 0.028 | 0.009 | 33.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | ILE | 0 | -0.015 | 0.002 | 29.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | SER | 0 | 0.059 | 0.028 | 32.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | ALA | 0 | -0.035 | -0.002 | 32.806 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | GLN | 0 | 0.044 | 0.013 | 33.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | GLN | 0 | 0.019 | 0.026 | 33.905 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | ASN | 0 | -0.018 | -0.013 | 28.784 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | ARG | 1 | 0.882 | 0.938 | 23.970 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | VAL | 0 | 0.025 | 0.019 | 27.648 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | VAL | 0 | 0.029 | 0.018 | 28.783 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | GLY | 0 | 0.001 | 0.003 | 29.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | ALA | 0 | -0.004 | -0.013 | 30.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | MET | 0 | -0.023 | -0.013 | 30.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | GLN | 0 | 0.022 | 0.013 | 34.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | LEU | 0 | -0.015 | -0.003 | 34.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | TYR | 0 | 0.026 | -0.017 | 37.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | SER | 0 | -0.040 | -0.022 | 40.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | VAL | 0 | 0.018 | 0.015 | 42.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | ASP | -1 | -0.800 | -0.874 | 44.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | ARG | 1 | 0.890 | 0.942 | 41.845 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | LYS | 1 | 0.914 | 0.945 | 46.779 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | VAL | 0 | 0.052 | 0.054 | 43.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | SER | 0 | -0.046 | -0.027 | 41.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | GLN | 0 | -0.028 | -0.002 | 37.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | PRO | 0 | -0.007 | 0.006 | 37.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | ILE | 0 | -0.015 | -0.016 | 31.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | GLU | -1 | -0.865 | -0.913 | 30.225 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | GLY | 0 | -0.027 | -0.043 | 28.342 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | HIS | 0 | -0.046 | -0.043 | 24.858 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | ALA | 0 | -0.014 | 0.002 | 23.586 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | ALA | 0 | 0.036 | 0.005 | 25.722 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | SER | 0 | -0.025 | -0.009 | 26.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | PHE | 0 | -0.010 | 0.001 | 27.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | ALA | 0 | 0.007 | 0.003 | 27.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | GLN | 0 | -0.025 | 0.013 | 29.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | PHE | 0 | 0.015 | -0.004 | 26.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | LYS | 1 | 0.898 | 0.965 | 30.763 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | MET | 0 | -0.023 | 0.021 | 30.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | GLU | -1 | -0.897 | -0.948 | 28.385 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | GLY | 0 | 0.011 | 0.007 | 31.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | ASN | 0 | -0.070 | -0.029 | 34.965 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 210 | ALA | 0 | 0.069 | 0.025 | 36.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 211 | GLU | -1 | -0.924 | -0.965 | 38.096 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 212 | GLU | -1 | -0.937 | -0.948 | 33.931 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | SER | 0 | 0.021 | -0.010 | 32.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | THR | 0 | -0.058 | -0.038 | 33.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | LEU | 0 | -0.011 | -0.010 | 28.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | PHE | 0 | 0.005 | -0.002 | 30.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | CYS | 0 | -0.030 | -0.015 | 24.527 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | PHE | 0 | 0.048 | 0.000 | 26.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | ALA | 0 | 0.016 | 0.002 | 22.035 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | VAL | 0 | 0.006 | 0.019 | 23.928 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | ARG | 1 | 0.819 | 0.925 | 19.561 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | GLY | 0 | 0.051 | 0.049 | 24.035 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | GLN | 0 | 0.029 | 0.009 | 27.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | ALA | 0 | -0.011 | -0.006 | 26.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | GLY | 0 | -0.032 | -0.021 | 23.707 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | GLY | 0 | -0.010 | -0.019 | 21.048 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | LYS | 1 | 0.789 | 0.886 | 21.504 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | LEU | 0 | -0.014 | -0.007 | 19.843 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | HIS | 0 | 0.020 | 0.002 | 22.995 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | ILE | 0 | 0.038 | 0.035 | 22.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | ILE | 0 | -0.049 | -0.029 | 26.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | GLU | -1 | -0.746 | -0.846 | 30.586 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | VAL | 0 | -0.017 | -0.022 | 33.387 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | GLY | 0 | -0.012 | -0.012 | 36.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | THR | 0 | -0.082 | -0.053 | 39.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | PRO | 0 | 0.024 | 0.025 | 37.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | PRO | 0 | 0.067 | 0.044 | 38.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | THR | 0 | 0.008 | -0.020 | 41.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | GLY | 0 | 0.001 | 0.005 | 43.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | ASN | 0 | -0.059 | -0.016 | 37.781 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | GLN | 0 | -0.006 | 0.000 | 35.885 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | PRO | 0 | 0.039 | 0.019 | 36.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | PHE | 0 | 0.032 | -0.018 | 26.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | PRO | 0 | -0.074 | -0.039 | 29.250 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | LYS | 1 | 0.893 | 0.958 | 27.980 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | LYS | 1 | 0.876 | 0.946 | 24.209 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | ALA | 0 | -0.066 | -0.057 | 24.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | VAL | 0 | 0.014 | 0.032 | 17.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | ASP | -1 | -0.788 | -0.878 | 18.454 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | VAL | 0 | -0.093 | -0.044 | 17.153 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | PHE | 0 | 0.044 | 0.006 | 11.280 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | PHE | 0 | 0.004 | -0.028 | 15.252 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | PRO | 0 | 0.000 | 0.024 | 11.711 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | PRO | 0 | 0.042 | 0.010 | 14.283 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | GLU | -1 | -0.841 | -0.929 | 12.053 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | ALA | 0 | -0.043 | 0.005 | 14.784 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | GLN | 0 | 0.041 | -0.011 | 16.613 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | ASN | 0 | -0.006 | 0.016 | 20.217 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | ASP | -1 | -0.746 | -0.848 | 16.768 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | PHE | 0 | -0.036 | -0.034 | 20.135 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | PRO | 0 | -0.019 | -0.010 | 20.500 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | VAL | 0 | -0.024 | -0.015 | 21.101 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | ALA | 0 | -0.002 | 0.014 | 21.461 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | MET | 0 | -0.024 | 0.006 | 21.105 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | GLN | 0 | 0.023 | 0.036 | 21.672 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | ILE | 0 | 0.007 | 0.003 | 21.633 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | SER | 0 | -0.002 | 0.019 | 21.620 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | GLU | -1 | -0.768 | -0.909 | 23.395 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | LYS | 1 | 0.824 | 0.918 | 23.375 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | HIS | 0 | -0.051 | -0.051 | 20.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | ASP | -1 | -0.778 | -0.882 | 22.072 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | VAL | 0 | -0.008 | -0.003 | 17.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | VAL | 0 | -0.032 | -0.016 | 19.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | PHE | 0 | 0.011 | -0.004 | 16.147 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | LEU | 0 | -0.026 | -0.021 | 16.959 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | ILE | 0 | 0.044 | 0.015 | 16.238 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | THR | 0 | -0.087 | -0.074 | 15.989 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | LYS | 1 | 0.951 | 0.982 | 18.292 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | TYR | 0 | -0.061 | -0.060 | 16.999 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | GLY | 0 | 0.027 | 0.029 | 15.723 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | TYR | 0 | 0.032 | -0.003 | 10.616 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | ILE | 0 | -0.002 | 0.000 | 11.094 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | HIS | 1 | 0.842 | 0.921 | 11.645 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | LEU | 0 | 0.021 | 0.033 | 12.867 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | TYR | 0 | 0.043 | 0.002 | 14.633 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | ASP | -1 | -0.696 | -0.806 | 17.289 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | LEU | 0 | -0.026 | -0.002 | 19.115 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | GLU | -1 | -0.748 | -0.834 | 22.762 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 289 | THR | 0 | -0.029 | -0.055 | 20.134 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 290 | GLY | 0 | 0.010 | -0.005 | 20.461 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 291 | THR | 0 | -0.008 | -0.013 | 14.756 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | CYS | 0 | -0.070 | -0.033 | 13.077 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 293 | ILE | 0 | 0.016 | 0.016 | 12.208 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 294 | TYR | 0 | 0.084 | 0.028 | 5.710 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 295 | MET | 0 | -0.025 | -0.009 | 8.529 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | ASN | 0 | 0.048 | 0.032 | 5.170 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 297 | ARG | 1 | 0.844 | 0.933 | 7.893 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | ILE | 0 | 0.004 | 0.019 | 9.514 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | SER | 0 | -0.010 | -0.015 | 11.880 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | GLY | 0 | -0.008 | 0.004 | 14.690 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | GLU | -1 | -0.777 | -0.868 | 16.406 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | THR | 0 | -0.047 | -0.014 | 18.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | ILE | 0 | 0.042 | 0.012 | 16.933 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | PHE | 0 | -0.066 | -0.030 | 21.228 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | VAL | 0 | 0.044 | 0.021 | 24.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | THR | 0 | -0.022 | -0.021 | 21.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 307 | ALA | 0 | 0.012 | 0.021 | 24.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 308 | PRO | 0 | 0.035 | 0.023 | 24.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 309 | HIS | 0 | -0.021 | -0.043 | 21.552 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 310 | GLU | -1 | -0.863 | -0.946 | 24.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 311 | ALA | 0 | -0.026 | -0.005 | 24.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 312 | THR | 0 | -0.006 | -0.013 | 20.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 313 | ALA | 0 | -0.033 | 0.002 | 21.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 314 | GLY | 0 | 0.001 | -0.005 | 19.813 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 315 | ILE | 0 | -0.081 | -0.021 | 18.050 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 316 | ILE | 0 | 0.043 | 0.009 | 19.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 317 | GLY | 0 | 0.001 | -0.022 | 21.152 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 318 | VAL | 0 | 0.009 | 0.017 | 22.106 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 319 | ASN | 0 | -0.035 | -0.024 | 18.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 320 | ARG | 1 | 0.898 | 0.912 | 22.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 321 | LYS | 1 | 0.848 | 0.932 | 20.984 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 322 | GLY | 0 | 0.067 | 0.036 | 23.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 323 | GLN | 0 | -0.047 | -0.011 | 17.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 324 | VAL | 0 | 0.024 | 0.020 | 21.951 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 325 | LEU | 0 | -0.004 | -0.001 | 16.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 326 | SER | 0 | 0.035 | 0.021 | 17.568 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 327 | VAL | 0 | 0.002 | 0.003 | 13.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 328 | CYS | 0 | -0.036 | -0.015 | 15.036 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 329 | VAL | 0 | 0.047 | 0.041 | 14.749 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 330 | GLU | -1 | -0.832 | -0.892 | 13.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 331 | GLU | -1 | -0.823 | -0.915 | 15.529 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 332 | GLU | -1 | -0.880 | -0.935 | 17.530 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 333 | ASN | 0 | -0.045 | -0.031 | 11.821 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 334 | ILE | 0 | -0.018 | -0.014 | 13.186 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 335 | ILE | 0 | 0.067 | 0.046 | 13.949 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 336 | PRO | 0 | 0.035 | 0.024 | 13.421 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 337 | TYR | 0 | 0.001 | -0.021 | 6.722 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 338 | ILE | 0 | -0.026 | -0.012 | 9.682 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 339 | THR | 0 | 0.010 | -0.014 | 11.493 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 340 | ASN | 0 | -0.076 | -0.034 | 9.570 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 341 | VAL | 0 | -0.063 | -0.020 | 4.436 | -0.339 | -0.227 | -0.001 | -0.025 | -0.085 | 0.000 |
| 342 | A | 342 | LEU | 0 | -0.076 | -0.035 | 6.428 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 343 | GLN | 0 | -0.029 | -0.006 | 7.058 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 344 | ASN | 0 | 0.015 | 0.023 | 10.773 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 345 | PRO | 0 | 0.047 | -0.005 | 13.901 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 346 | ASP | -1 | -0.895 | -0.940 | 16.275 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 347 | LEU | 0 | -0.025 | -0.013 | 15.398 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 348 | ALA | 0 | 0.005 | 0.001 | 15.528 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 349 | LEU | 0 | 0.014 | 0.001 | 17.534 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 350 | ARG | 1 | 0.806 | 0.884 | 21.002 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 351 | MET | 0 | 0.007 | 0.007 | 17.227 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 352 | ALA | 0 | 0.004 | 0.009 | 20.540 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 353 | VAL | 0 | -0.005 | -0.006 | 22.129 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 354 | ARG | 1 | 0.711 | 0.843 | 21.190 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 355 | ASN | 0 | -0.032 | -0.031 | 23.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 356 | ASN | 0 | 0.008 | -0.002 | 25.197 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 357 | LEU | 0 | -0.023 | -0.015 | 19.918 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 358 | ALA | 0 | 0.026 | 0.007 | 21.411 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 359 | GLY | 0 | 0.029 | 0.003 | 18.629 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 360 | ALA | 0 | 0.005 | -0.001 | 18.180 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 361 | GLU | -1 | -0.823 | -0.909 | 20.179 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 362 | GLU | -1 | -0.804 | -0.887 | 20.009 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 363 | LEU | 0 | -0.024 | -0.020 | 17.347 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 364 | PHE | 0 | 0.054 | 0.019 | 21.868 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 365 | ALA | 0 | 0.015 | 0.024 | 25.121 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 366 | ARG | 1 | 0.837 | 0.898 | 20.267 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 367 | LYS | 1 | 0.977 | 1.003 | 25.188 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 368 | PHE | 0 | 0.017 | 0.018 | 26.916 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 369 | ASN | 0 | 0.019 | -0.006 | 28.861 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 370 | ALA | 0 | -0.018 | -0.003 | 28.227 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 371 | LEU | 0 | 0.002 | 0.004 | 30.299 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 372 | PHE | 0 | 0.020 | -0.002 | 32.609 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 373 | ALA | 0 | -0.036 | -0.008 | 33.420 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 374 | GLN | 0 | -0.047 | -0.030 | 31.212 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 375 | GLY | 0 | 0.030 | 0.024 | 36.010 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 376 | ASN | 0 | -0.009 | -0.004 | 34.366 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 377 | TYR | 0 | 0.003 | -0.030 | 36.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 378 | SER | 0 | 0.081 | 0.059 | 38.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 379 | GLU | -1 | -0.855 | -0.909 | 31.481 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 380 | ALA | 0 | -0.032 | -0.027 | 33.059 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 381 | ALA | 0 | 0.017 | 0.007 | 33.681 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 382 | LYS | 1 | 0.898 | 0.945 | 31.726 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 383 | VAL | 0 | -0.028 | -0.019 | 28.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 384 | ALA | 0 | 0.005 | -0.003 | 30.488 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 385 | ALA | 0 | -0.021 | -0.005 | 32.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 386 | ASN | 0 | -0.056 | -0.035 | 30.377 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 387 | ALA | 0 | -0.005 | 0.023 | 27.414 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 388 | PRO | 0 | -0.028 | -0.003 | 24.190 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 389 | LYS | 1 | 0.864 | 0.913 | 24.345 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 390 | GLY | 0 | 0.036 | 0.032 | 29.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 391 | ILE | 0 | -0.010 | 0.007 | 26.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 392 | LEU | 0 | -0.018 | -0.013 | 29.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 393 | ARG | 1 | 0.792 | 0.923 | 31.827 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 394 | THR | 0 | 0.012 | -0.009 | 33.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 395 | PRO | 0 | 0.037 | -0.001 | 36.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 396 | ASP | -1 | -0.832 | -0.905 | 35.714 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 397 | THR | 0 | -0.024 | -0.019 | 34.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 398 | ILE | 0 | 0.022 | 0.019 | 36.895 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 399 | ARG | 1 | 0.892 | 0.921 | 39.241 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 400 | ARG | 1 | 0.818 | 0.932 | 33.504 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 401 | PHE | 0 | 0.004 | -0.016 | 36.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 402 | GLN | 0 | -0.070 | -0.051 | 41.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 403 | SER | 0 | -0.055 | -0.015 | 41.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 404 | VAL | 0 | -0.060 | -0.019 | 41.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 405 | PRO | 0 | -0.009 | 0.006 | 44.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 406 | ALA | 0 | -0.011 | -0.011 | 47.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 407 | GLN | 0 | 0.007 | -0.022 | 49.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 408 | PRO | 0 | 0.025 | 0.015 | 51.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 409 | GLY | 0 | 0.016 | 0.023 | 53.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 410 | GLN | 0 | -0.014 | -0.004 | 47.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 411 | THR | 0 | 0.003 | 0.011 | 46.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 412 | SER | 0 | 0.047 | 0.024 | 46.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 413 | PRO | 0 | 0.102 | 0.036 | 40.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 414 | LEU | 0 | -0.018 | 0.013 | 41.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 415 | LEU | 0 | 0.001 | -0.008 | 43.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 416 | GLN | 0 | -0.029 | -0.027 | 41.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 417 | TYR | 0 | -0.002 | 0.004 | 36.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 418 | PHE | 0 | 0.035 | -0.017 | 40.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 419 | GLY | 0 | -0.012 | 0.011 | 42.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 420 | ILE | 0 | 0.052 | 0.006 | 36.872 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 421 | LEU | 0 | -0.065 | -0.013 | 37.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 422 | LEU | 0 | -0.009 | -0.010 | 40.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 423 | ASP | -1 | -0.956 | -0.942 | 41.287 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 424 | GLN | 0 | -0.080 | -0.065 | 34.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 425 | GLY | 0 | -0.010 | -0.003 | 39.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 426 | GLN | 0 | -0.068 | -0.013 | 40.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 427 | LEU | 0 | -0.045 | -0.032 | 40.828 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 428 | ASN | 0 | 0.066 | 0.033 | 38.648 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 429 | LYS | 1 | 0.858 | 0.920 | 42.222 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 430 | TYR | 0 | -0.042 | -0.039 | 41.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 431 | GLU | -1 | -0.718 | -0.846 | 38.878 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 432 | SER | 0 | 0.031 | 0.000 | 43.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 433 | LEU | 0 | -0.025 | 0.004 | 46.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 434 | GLU | -1 | -0.818 | -0.891 | 44.968 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 435 | LEU | 0 | -0.082 | -0.008 | 46.332 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 436 | CYS | 0 | -0.007 | -0.019 | 48.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 437 | ARG | 1 | 0.885 | 0.946 | 49.254 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 438 | PRO | 0 | 0.004 | 0.011 | 50.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 439 | VAL | 0 | 0.029 | 0.008 | 52.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 440 | LEU | 0 | 0.004 | -0.007 | 54.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 441 | GLN | 0 | -0.041 | -0.024 | 56.742 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 442 | GLN | 0 | -0.057 | -0.017 | 56.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 443 | GLY | 0 | 0.037 | 0.012 | 60.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 444 | ARG | 1 | 0.863 | 0.934 | 58.393 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 445 | LYS | 1 | 0.849 | 0.925 | 58.250 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 446 | GLN | 0 | 0.055 | 0.021 | 58.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 447 | LEU | 0 | -0.016 | 0.002 | 52.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 448 | LEU | 0 | 0.057 | 0.027 | 53.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 449 | GLU | -1 | -0.823 | -0.918 | 54.264 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 450 | LYS | 1 | 0.760 | 0.866 | 50.794 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 451 | TRP | 0 | 0.089 | 0.019 | 49.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 452 | LEU | 0 | -0.010 | -0.008 | 50.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 453 | LYS | 1 | 0.891 | 0.953 | 51.744 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 454 | GLU | -1 | -0.805 | -0.890 | 49.041 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 455 | ASP | -1 | -0.841 | -0.868 | 47.079 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 456 | LYS | 1 | 0.858 | 0.902 | 44.864 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 457 | LEU | 0 | -0.011 | -0.006 | 45.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 458 | GLU | -1 | -0.766 | -0.852 | 42.756 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 459 | CYS | 0 | -0.071 | -0.028 | 46.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 460 | SER | 0 | 0.068 | 0.011 | 48.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 461 | GLU | -1 | -0.749 | -0.853 | 50.093 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 462 | GLU | -1 | -0.845 | -0.917 | 49.940 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 463 | LEU | 0 | 0.005 | -0.012 | 49.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 464 | GLY | 0 | 0.011 | 0.006 | 52.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 465 | ASP | -1 | -0.815 | -0.895 | 55.717 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 466 | LEU | 0 | -0.091 | -0.044 | 53.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 467 | VAL | 0 | -0.026 | -0.018 | 55.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 468 | LYS | 1 | 0.873 | 0.922 | 58.444 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 469 | SER | 0 | -0.076 | -0.024 | 61.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 470 | VAL | 0 | -0.009 | 0.003 | 60.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 471 | ASP | -1 | -0.802 | -0.905 | 61.678 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 472 | PRO | 0 | 0.088 | 0.040 | 61.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 473 | THR | 0 | 0.005 | -0.009 | 62.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 474 | LEU | 0 | -0.050 | -0.036 | 57.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 475 | ALA | 0 | 0.023 | 0.031 | 57.775 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 476 | LEU | 0 | -0.008 | 0.012 | 58.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 477 | SER | 0 | 0.023 | -0.004 | 56.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 478 | VAL | 0 | 0.031 | 0.029 | 53.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 479 | TYR | 0 | -0.045 | -0.047 | 53.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 480 | LEU | 0 | -0.036 | -0.012 | 54.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 481 | ARG | 1 | 0.801 | 0.866 | 50.306 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 482 | ALA | 0 | -0.092 | -0.035 | 49.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 483 | ASN | 0 | -0.044 | -0.027 | 49.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 484 | VAL | 0 | -0.009 | -0.003 | 51.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 485 | PRO | 0 | 0.006 | 0.004 | 53.504 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 486 | ASN | 0 | 0.002 | 0.011 | 56.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 487 | LYS | 1 | 0.823 | 0.888 | 55.452 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |