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: 2N12R
Calculation Name: 5N1A-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 5N1A
Chain ID: A
UniProt ID: G0SCT7
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 | OptAll |
| 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 | 715 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17658356.785748 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17380505.651484 |
| FMO2-HF: Total energy | -277851.134265 |
| FMO2-MP2: Total energy | -278664.856832 |
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:-10:THR)
Summations of interaction energy for
fragment #1(A:-10:THR)
| 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. |
| -4.316 | 0.747 | 0.857 | -2.445 | -3.475 | -0.012 |
Interaction energy analysis for fragmet #1(A:-10:THR)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | -8 | GLU | -1 | -0.792 | -0.873 | 3.870 | 1.256 | 3.221 | -0.022 | -0.921 | -1.022 | -0.001 |
| 4 | A | -7 | ASN | 0 | -0.008 | -0.020 | 7.035 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | -6 | LEU | 0 | -0.021 | -0.001 | 10.660 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | -5 | TYR | 0 | 0.058 | 0.023 | 13.966 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | -4 | PHE | 0 | 0.000 | -0.003 | 17.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | -3 | GLN | 0 | -0.008 | -0.013 | 20.638 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | -2 | GLY | 0 | 0.055 | 0.034 | 22.257 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | -1 | ALA | 0 | -0.042 | -0.023 | 20.184 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 0 | HIS | 0 | 0.036 | 0.020 | 14.893 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 1 | MET | 0 | -0.045 | -0.009 | 12.354 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 2 | ASP | -1 | -0.838 | -0.897 | 10.451 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 3 | ILE | 0 | -0.014 | -0.012 | 6.677 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 4 | HIS | 1 | 0.845 | 0.892 | 4.675 | -0.579 | -0.493 | -0.001 | -0.027 | -0.058 | 0.000 |
| 16 | A | 5 | ARG | 1 | 0.749 | 0.835 | 2.725 | -1.425 | -0.548 | 0.229 | -0.342 | -0.764 | 0.001 |
| 17 | A | 6 | CYS | 0 | -0.059 | -0.040 | 2.727 | -3.669 | -1.694 | 0.652 | -1.142 | -1.485 | -0.012 |
| 18 | A | 7 | ARG | 1 | 0.888 | 0.915 | 5.244 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 8 | PHE | 0 | -0.008 | -0.016 | 5.455 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 9 | VAL | 0 | 0.028 | 0.021 | 8.537 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 10 | ARG | 1 | 0.890 | 0.957 | 9.171 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 11 | TYR | 0 | 0.066 | 0.034 | 13.650 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 12 | PRO | 0 | 0.026 | 0.029 | 16.538 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 13 | ALA | 0 | 0.007 | 0.007 | 19.457 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 14 | SER | 0 | 0.006 | -0.012 | 20.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 15 | ALA | 0 | 0.031 | 0.014 | 24.784 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 16 | ILE | 0 | -0.028 | -0.004 | 27.375 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 17 | ASN | 0 | -0.008 | 0.004 | 29.832 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 18 | ALA | 0 | 0.010 | 0.013 | 33.321 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 19 | VAL | 0 | 0.009 | -0.002 | 33.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 20 | ALA | 0 | 0.009 | 0.009 | 35.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 21 | PHE | 0 | 0.010 | 0.001 | 36.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 22 | THR | 0 | 0.013 | 0.004 | 39.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 23 | HIS | 0 | 0.073 | 0.051 | 42.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 24 | SER | 0 | 0.029 | 0.017 | 42.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 25 | ALA | 0 | 0.012 | 0.006 | 44.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 26 | LEU | 0 | -0.042 | -0.013 | 44.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 27 | PRO | 0 | 0.035 | 0.019 | 48.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 28 | VAL | 0 | 0.055 | 0.038 | 50.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 29 | VAL | 0 | -0.014 | -0.001 | 49.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 30 | SER | 0 | 0.070 | 0.032 | 50.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 31 | SER | 0 | 0.047 | -0.011 | 49.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 32 | SER | 0 | 0.024 | 0.027 | 51.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 33 | LYS | 1 | 0.957 | 0.979 | 53.226 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 34 | LYS | 1 | 0.957 | 0.984 | 46.511 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 35 | TYR | 0 | 0.011 | 0.004 | 48.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 36 | LEU | 0 | 0.011 | 0.001 | 50.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 37 | GLN | 0 | 0.030 | -0.003 | 47.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 38 | LYS | 1 | 0.912 | 0.974 | 45.473 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 39 | ASN | 0 | -0.021 | -0.035 | 44.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 40 | ILE | 0 | 0.044 | 0.048 | 44.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 41 | GLN | 0 | -0.013 | 0.003 | 40.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 42 | VAL | 0 | 0.010 | 0.013 | 39.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 43 | ARG | 1 | 0.758 | 0.845 | 35.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 44 | LEU | 0 | -0.038 | -0.004 | 32.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 45 | ALA | 0 | 0.011 | 0.017 | 34.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 46 | ILE | 0 | 0.006 | -0.009 | 29.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 47 | GLY | 0 | 0.008 | 0.015 | 31.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 48 | ARG | 1 | 0.769 | 0.854 | 25.051 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 49 | ALA | 0 | 0.059 | 0.025 | 28.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 50 | ASN | 0 | 0.053 | 0.043 | 25.987 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 51 | GLY | 0 | 0.028 | 0.002 | 29.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 52 | ASP | -1 | -0.810 | -0.875 | 27.035 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 53 | ILE | 0 | 0.006 | -0.004 | 30.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 54 | GLU | -1 | -0.804 | -0.846 | 27.274 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 55 | ILE | 0 | -0.006 | -0.006 | 31.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 56 | TRP | 0 | 0.012 | -0.025 | 25.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 57 | ASN | 0 | -0.018 | -0.026 | 32.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 58 | PRO | 0 | 0.051 | 0.010 | 32.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 59 | LEU | 0 | 0.010 | -0.002 | 32.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 60 | ASN | 0 | -0.039 | -0.026 | 34.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 61 | GLY | 0 | 0.035 | 0.028 | 33.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 62 | GLY | 0 | -0.015 | -0.009 | 30.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 63 | TRP | 0 | -0.057 | -0.034 | 28.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 64 | TYR | 0 | 0.042 | 0.018 | 26.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 65 | GLN | 0 | 0.025 | 0.007 | 24.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 66 | GLU | -1 | -0.801 | -0.852 | 28.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 67 | VAL | 0 | -0.005 | -0.006 | 30.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 68 | ILE | 0 | -0.002 | 0.000 | 25.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 69 | ILE | 0 | -0.026 | -0.003 | 30.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 70 | PRO | 0 | -0.025 | 0.004 | 30.222 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 71 | GLY | 0 | 0.068 | 0.031 | 30.245 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 72 | GLY | 0 | 0.013 | -0.017 | 30.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 73 | LYS | 1 | 0.836 | 0.899 | 29.916 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 74 | ASP | -1 | -0.823 | -0.889 | 31.619 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 75 | ARG | 1 | 0.824 | 0.926 | 33.117 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 76 | SER | 0 | -0.016 | -0.036 | 32.602 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 77 | VAL | 0 | -0.049 | -0.020 | 33.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 78 | ASP | -1 | -0.871 | -0.911 | 34.416 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 79 | GLY | 0 | 0.041 | 0.025 | 36.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 80 | LEU | 0 | -0.036 | -0.033 | 35.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 81 | VAL | 0 | -0.011 | 0.000 | 39.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 82 | TRP | 0 | 0.019 | -0.002 | 38.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 83 | VAL | 0 | -0.027 | -0.017 | 43.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 84 | THR | 0 | -0.024 | -0.009 | 45.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 85 | ASP | -1 | -0.858 | -0.897 | 48.349 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 86 | PRO | 0 | -0.019 | -0.036 | 51.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 87 | ASP | -1 | -0.826 | -0.896 | 51.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 88 | GLU | -1 | -0.954 | -0.968 | 54.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 89 | GLU | -1 | -0.943 | -0.974 | 56.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 90 | MET | 0 | -0.038 | -0.015 | 57.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 91 | ALA | 0 | 0.042 | 0.009 | 60.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 92 | ASP | -1 | -0.810 | -0.884 | 61.405 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 93 | GLY | 0 | 0.019 | 0.023 | 61.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 94 | LYS | 1 | 0.729 | 0.845 | 56.904 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 95 | ILE | 0 | 0.017 | 0.007 | 53.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 96 | ILE | 0 | -0.015 | 0.004 | 52.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 97 | HIS | 0 | -0.070 | -0.048 | 48.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 98 | GLY | 0 | 0.081 | 0.049 | 50.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 99 | LYS | 1 | 0.766 | 0.885 | 47.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 100 | SER | 0 | -0.041 | -0.042 | 44.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 101 | ARG | 1 | 0.771 | 0.845 | 44.517 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 102 | LEU | 0 | -0.001 | -0.003 | 37.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 103 | PHE | 0 | 0.033 | 0.009 | 42.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 104 | SER | 0 | 0.006 | 0.002 | 38.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 105 | ILE | 0 | 0.012 | 0.019 | 40.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 106 | GLY | 0 | 0.084 | 0.016 | 38.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 107 | TYR | 0 | -0.083 | -0.050 | 34.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 108 | THR | 0 | 0.062 | 0.032 | 40.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 109 | THR | 0 | -0.024 | -0.005 | 43.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 110 | THR | 0 | -0.008 | -0.011 | 43.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 111 | ILE | 0 | -0.023 | 0.008 | 44.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 112 | THR | 0 | -0.040 | -0.032 | 40.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 113 | GLU | -1 | -0.793 | -0.866 | 43.359 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 114 | TRP | 0 | -0.013 | -0.029 | 37.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 115 | ASP | -1 | -0.797 | -0.898 | 41.250 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 116 | LEU | 0 | 0.031 | 0.000 | 37.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 117 | GLU | -1 | -0.856 | -0.908 | 38.856 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 118 | LYS | 1 | 0.788 | 0.891 | 39.819 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 119 | ALA | 0 | -0.039 | -0.014 | 34.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 120 | ARG | 1 | 0.845 | 0.926 | 36.001 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 121 | ALA | 0 | 0.025 | 0.010 | 38.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 122 | LYS | 1 | 0.817 | 0.898 | 40.935 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 123 | LYS | 1 | 0.820 | 0.888 | 44.463 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 124 | HIS | 0 | 0.048 | 0.035 | 40.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 125 | ALA | 0 | -0.009 | -0.001 | 46.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 126 | SER | 0 | 0.023 | 0.019 | 47.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 127 | GLY | 0 | 0.063 | 0.023 | 49.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 128 | GLN | 0 | -0.036 | -0.008 | 52.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 129 | HIS | 0 | -0.052 | -0.024 | 49.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 130 | GLY | 0 | 0.074 | 0.045 | 49.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 131 | GLU | -1 | -0.893 | -0.954 | 43.879 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 132 | ILE | 0 | -0.046 | -0.026 | 45.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 133 | TRP | 0 | -0.012 | -0.021 | 42.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 134 | CYS | 0 | -0.067 | -0.008 | 43.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 135 | PHE | 0 | 0.013 | -0.010 | 42.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 136 | GLY | 0 | 0.023 | 0.018 | 45.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 137 | VAL | 0 | -0.020 | -0.005 | 48.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 138 | GLN | 0 | -0.015 | -0.005 | 50.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 139 | PRO | 0 | -0.006 | 0.009 | 53.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 140 | LEU | 0 | 0.026 | 0.003 | 54.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 141 | PRO | 0 | -0.039 | -0.007 | 57.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 142 | HIS | 0 | 0.058 | 0.028 | 60.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 143 | LYS | 1 | 0.863 | 0.918 | 63.323 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 144 | ALA | 0 | 0.031 | 0.023 | 65.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 145 | ASN | 0 | 0.007 | -0.008 | 66.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 146 | ALA | 0 | 0.032 | 0.038 | 66.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 147 | ALA | 0 | 0.029 | 0.009 | 63.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 148 | ALA | 0 | -0.021 | -0.021 | 60.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 149 | ALA | 0 | 0.018 | 0.010 | 57.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 150 | GLN | 0 | 0.068 | 0.022 | 56.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 151 | ASN | 0 | -0.046 | -0.039 | 58.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 152 | ARG | 1 | 0.841 | 0.924 | 51.653 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 153 | LYS | 1 | 0.845 | 0.928 | 54.515 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 154 | LEU | 0 | -0.020 | -0.008 | 48.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 155 | VAL | 0 | 0.001 | -0.002 | 51.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 156 | ALA | 0 | 0.016 | 0.001 | 48.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 157 | GLY | 0 | 0.032 | 0.018 | 48.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 158 | THR | 0 | -0.028 | -0.036 | 48.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 159 | VAL | 0 | 0.018 | 0.007 | 46.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 160 | ASP | -1 | -0.790 | -0.884 | 48.154 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 161 | GLY | 0 | 0.043 | 0.023 | 51.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 162 | ASN | 0 | -0.059 | -0.037 | 52.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 163 | LEU | 0 | 0.020 | 0.023 | 52.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 164 | VAL | 0 | -0.060 | -0.038 | 51.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 165 | LEU | 0 | 0.018 | 0.019 | 53.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 166 | TYR | 0 | 0.011 | -0.029 | 50.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 167 | SER | 0 | -0.061 | -0.071 | 53.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 168 | ILE | 0 | -0.003 | -0.005 | 49.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 169 | GLU | -1 | -0.736 | -0.812 | 53.150 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 170 | ASP | -1 | -0.821 | -0.924 | 55.479 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 171 | GLY | 0 | -0.047 | -0.007 | 52.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 172 | ASP | -1 | -0.807 | -0.875 | 51.338 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 173 | LEU | 0 | -0.019 | -0.011 | 47.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 174 | LYS | 1 | 0.823 | 0.914 | 51.143 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 175 | PHE | 0 | 0.024 | 0.017 | 53.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 176 | GLN | 0 | -0.002 | -0.004 | 54.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 177 | LYS | 1 | 0.912 | 0.958 | 57.253 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 178 | THR | 0 | 0.012 | 0.011 | 57.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 179 | LEU | 0 | -0.062 | -0.028 | 56.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 180 | THR | 0 | 0.020 | 0.005 | 57.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 181 | ARG | 1 | 0.894 | 0.931 | 56.459 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 182 | THR | 0 | -0.013 | 0.025 | 55.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 183 | PRO | 0 | 0.033 | 0.020 | 58.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 184 | SER | 0 | 0.000 | 0.008 | 56.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 185 | LYS | 1 | 1.016 | 1.007 | 54.506 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 186 | LYS | 1 | 0.972 | 0.980 | 51.537 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 187 | THR | 0 | -0.078 | -0.038 | 50.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 188 | LYS | 1 | 0.883 | 0.963 | 45.699 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 189 | PHE | 0 | -0.026 | -0.019 | 49.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 190 | VAL | 0 | -0.019 | -0.016 | 44.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 191 | SER | 0 | -0.034 | -0.018 | 44.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 192 | ILE | 0 | 0.005 | 0.000 | 46.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 193 | ALA | 0 | -0.011 | -0.001 | 47.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 194 | PHE | 0 | 0.000 | -0.003 | 50.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 195 | GLN | 0 | 0.027 | 0.031 | 53.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 196 | SER | 0 | -0.019 | -0.016 | 55.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 197 | HIS | 0 | -0.017 | -0.018 | 57.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 198 | ASN | 0 | 0.031 | 0.007 | 58.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 199 | ILE | 0 | 0.004 | 0.027 | 58.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 200 | VAL | 0 | -0.009 | 0.002 | 53.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 201 | ILE | 0 | 0.009 | 0.005 | 52.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 202 | VAL | 0 | 0.016 | -0.009 | 50.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 203 | GLY | 0 | 0.039 | 0.034 | 49.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 204 | CYS | 0 | -0.027 | -0.009 | 49.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 205 | SER | 0 | 0.024 | 0.000 | 47.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 206 | ASN | 0 | 0.026 | 0.021 | 48.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 207 | SER | 0 | -0.012 | -0.022 | 51.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 208 | THR | 0 | -0.024 | -0.022 | 52.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 209 | ILE | 0 | 0.024 | 0.012 | 51.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 210 | CYS | 0 | -0.061 | -0.009 | 53.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 211 | ALA | 0 | 0.041 | 0.019 | 55.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 212 | TYR | 0 | 0.024 | -0.002 | 56.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 213 | ASP | -1 | -0.724 | -0.820 | 59.376 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 214 | VAL | 0 | -0.031 | -0.027 | 57.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 215 | ARG | 1 | 0.840 | 0.919 | 59.799 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 216 | THR | 0 | -0.014 | -0.036 | 63.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 217 | GLY | 0 | 0.044 | 0.026 | 60.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 218 | THR | 0 | -0.016 | -0.021 | 61.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 219 | MET | 0 | -0.022 | -0.005 | 60.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 220 | LEU | 0 | -0.018 | -0.006 | 61.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 221 | ARG | 1 | 0.867 | 0.929 | 60.844 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 222 | GLN | 0 | -0.005 | -0.019 | 58.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 223 | MET | 0 | -0.019 | 0.019 | 56.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 224 | THR | 0 | 0.013 | -0.004 | 56.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 225 | LEU | 0 | 0.023 | 0.012 | 50.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 226 | GLY | 0 | -0.037 | -0.020 | 53.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 227 | THR | 0 | 0.007 | -0.027 | 54.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 228 | ASP | -1 | -0.849 | -0.885 | 56.548 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 229 | LEU | 0 | 0.005 | -0.005 | 54.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 230 | THR | 0 | -0.020 | -0.009 | 49.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 231 | GLY | 0 | 0.037 | -0.003 | 49.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 232 | GLY | 0 | -0.017 | 0.002 | 50.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 233 | SER | 0 | 0.038 | 0.028 | 49.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 234 | LYS | 1 | 0.972 | 0.992 | 52.777 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 235 | ASN | 0 | -0.025 | -0.009 | 48.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 236 | ILE | 0 | 0.001 | 0.019 | 47.712 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 237 | ILE | 0 | 0.005 | 0.005 | 43.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 238 | VAL | 0 | 0.008 | 0.006 | 45.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 239 | TRP | 0 | 0.009 | -0.009 | 41.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 240 | ALA | 0 | -0.012 | 0.004 | 42.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 241 | VAL | 0 | 0.033 | 0.010 | 44.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 242 | LYS | 1 | 0.870 | 0.934 | 42.904 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 243 | CYS | 0 | 0.012 | 0.013 | 48.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 244 | LEU | 0 | 0.021 | 0.024 | 50.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 245 | PRO | 0 | 0.024 | 0.002 | 51.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 246 | ASN | 0 | -0.013 | -0.009 | 54.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 247 | GLY | 0 | 0.031 | 0.013 | 56.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 248 | ASP | -1 | -0.795 | -0.850 | 55.433 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 249 | ILE | 0 | -0.012 | -0.008 | 52.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 250 | VAL | 0 | 0.006 | 0.007 | 47.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 251 | SER | 0 | 0.041 | 0.008 | 47.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 252 | GLY | 0 | -0.010 | -0.007 | 44.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 253 | ASP | -1 | -0.794 | -0.868 | 44.932 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 254 | SER | 0 | 0.075 | 0.026 | 42.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 255 | THR | 0 | -0.082 | -0.056 | 43.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 256 | GLY | 0 | 0.008 | 0.020 | 42.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 257 | GLN | 0 | 0.004 | -0.013 | 43.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 258 | VAL | 0 | -0.015 | -0.015 | 43.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 259 | CYS | 0 | -0.053 | -0.022 | 46.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 260 | ILE | 0 | 0.008 | 0.001 | 50.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 261 | TRP | 0 | -0.012 | -0.026 | 51.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 262 | ASP | -1 | -0.726 | -0.828 | 56.145 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 263 | GLY | 0 | -0.028 | -0.028 | 58.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 264 | LYS | 1 | 0.811 | 0.898 | 59.341 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 265 | THR | 0 | -0.018 | -0.033 | 62.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 266 | TYR | 0 | -0.091 | -0.073 | 58.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 267 | THR | 0 | 0.015 | -0.004 | 60.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 268 | GLN | 0 | 0.023 | -0.003 | 55.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 269 | ALA | 0 | 0.030 | 0.031 | 56.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 270 | GLN | 0 | -0.031 | -0.031 | 52.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 271 | ARG | 1 | 0.843 | 0.912 | 51.245 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 272 | ILE | 0 | -0.007 | 0.000 | 46.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 273 | GLN | 0 | -0.006 | 0.003 | 43.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 274 | SER | 0 | -0.033 | -0.021 | 42.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 275 | HIS | 1 | 0.767 | 0.869 | 37.523 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 276 | THR | 0 | 0.013 | 0.000 | 37.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 277 | GLN | 0 | -0.011 | -0.006 | 34.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 278 | ASP | -1 | -0.788 | -0.890 | 38.614 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 279 | VAL | 0 | -0.060 | -0.017 | 38.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 280 | LEU | 0 | -0.040 | -0.020 | 35.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 281 | CYS | 0 | -0.070 | -0.002 | 36.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 282 | LEU | 0 | 0.047 | 0.012 | 39.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 283 | SER | 0 | -0.027 | -0.020 | 40.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 284 | VAL | 0 | -0.002 | -0.003 | 42.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 285 | SER | 0 | -0.045 | -0.023 | 44.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 286 | ALA | 0 | 0.003 | -0.014 | 45.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 287 | ASP | -1 | -0.807 | -0.841 | 48.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 288 | GLY | 0 | -0.017 | -0.006 | 49.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 289 | SER | 0 | -0.047 | -0.053 | 48.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 290 | LYS | 1 | 0.841 | 0.896 | 43.817 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 291 | ILE | 0 | 0.000 | 0.012 | 44.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 292 | ILE | 0 | -0.034 | -0.019 | 38.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 293 | SER | 0 | 0.046 | 0.035 | 40.187 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 294 | GLY | 0 | 0.041 | -0.002 | 36.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 295 | GLY | 0 | 0.080 | 0.029 | 35.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 296 | MET | 0 | 0.017 | 0.010 | 33.549 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 297 | ASP | -1 | -0.761 | -0.852 | 33.004 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 298 | ARG | 1 | 0.863 | 0.922 | 25.942 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 299 | ARG | 1 | 0.794 | 0.905 | 31.623 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 300 | THR | 0 | 0.032 | 0.001 | 33.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 301 | ALA | 0 | -0.054 | -0.030 | 36.060 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 302 | VAL | 0 | 0.013 | 0.010 | 39.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 303 | TYR | 0 | 0.008 | -0.001 | 41.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 304 | GLU | -1 | -0.813 | -0.898 | 45.820 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 305 | PRO | 0 | 0.001 | 0.002 | 48.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 306 | MET | 0 | -0.032 | -0.011 | 52.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 307 | ALA | 0 | 0.036 | 0.010 | 53.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 308 | GLY | 0 | 0.007 | 0.014 | 55.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 309 | GLN | 0 | 0.028 | 0.013 | 57.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 310 | SER | 0 | 0.044 | 0.015 | 57.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 311 | GLY | 0 | 0.012 | 0.008 | 57.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 312 | ARG | 1 | 0.854 | 0.933 | 55.059 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 313 | TRP | 0 | 0.029 | 0.015 | 48.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 314 | SER | 0 | 0.015 | 0.023 | 49.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 315 | LYS | 1 | 0.836 | 0.896 | 41.265 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 316 | VAL | 0 | -0.002 | 0.015 | 43.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 317 | PHE | 0 | 0.001 | -0.011 | 36.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 318 | HIS | 0 | 0.042 | 0.017 | 36.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 319 | ARG | 1 | 0.800 | 0.865 | 29.209 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 320 | ARG | 1 | 0.892 | 0.946 | 25.195 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 321 | TYR | 0 | -0.012 | -0.008 | 28.959 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 322 | HIS | 0 | 0.079 | 0.056 | 27.101 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 323 | GLN | 0 | -0.014 | -0.007 | 21.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 324 | HIS | 0 | -0.004 | -0.013 | 22.114 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 325 | ASP | -1 | -0.792 | -0.875 | 27.376 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 326 | VAL | 0 | -0.041 | -0.015 | 30.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 327 | LYS | 1 | 0.910 | 0.957 | 31.082 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 328 | ALA | 0 | 0.027 | 0.008 | 33.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 329 | MET | 0 | -0.030 | -0.031 | 34.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 330 | ALA | 0 | -0.032 | 0.008 | 36.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 331 | SER | 0 | 0.011 | -0.008 | 37.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 332 | PHE | 0 | -0.022 | -0.005 | 38.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 333 | GLU | -1 | -0.804 | -0.872 | 40.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 334 | GLY | 0 | 0.073 | 0.026 | 42.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 335 | LYS | 1 | 0.820 | 0.897 | 42.413 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 336 | GLY | 0 | 0.010 | 0.013 | 42.902 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 337 | MET | 0 | -0.055 | 0.008 | 35.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 338 | SER | 0 | -0.011 | -0.048 | 39.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 339 | VAL | 0 | -0.046 | -0.014 | 35.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 340 | VAL | 0 | 0.042 | 0.017 | 36.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 341 | VAL | 0 | -0.034 | -0.016 | 31.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 342 | SER | 0 | 0.006 | -0.020 | 31.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 343 | GLY | 0 | 0.021 | -0.009 | 29.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 344 | GLY | 0 | 0.080 | 0.040 | 28.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 345 | SER | 0 | -0.020 | -0.053 | 26.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 346 | ASP | -1 | -0.848 | -0.896 | 23.324 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 347 | ALA | 0 | -0.035 | -0.013 | 22.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 348 | SER | 0 | 0.026 | 0.013 | 22.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 349 | PRO | 0 | 0.020 | 0.014 | 24.796 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 350 | ILE | 0 | -0.043 | -0.015 | 26.741 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 351 | VAL | 0 | -0.005 | 0.005 | 29.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 352 | LEU | 0 | 0.014 | -0.003 | 31.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 353 | PRO | 0 | 0.007 | 0.007 | 34.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 354 | LEU | 0 | 0.032 | -0.003 | 37.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 355 | ARG | 1 | 0.882 | 0.933 | 40.616 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 356 | ALA | 0 | -0.005 | 0.000 | 38.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 357 | LEU | 0 | 0.009 | 0.019 | 37.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 358 | GLY | 0 | 0.027 | 0.016 | 35.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 359 | LYS | 1 | 0.876 | 0.924 | 35.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 360 | GLU | -1 | -0.726 | -0.831 | 30.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 361 | PHE | 0 | -0.017 | 0.007 | 30.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 362 | HIS | 0 | -0.040 | -0.006 | 27.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 363 | ARG | 1 | 0.891 | 0.946 | 25.139 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 364 | THR | 0 | 0.023 | 0.014 | 23.323 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 365 | LEU | 0 | -0.061 | -0.025 | 24.805 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 366 | PRO | 0 | -0.018 | -0.023 | 20.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 367 | HIS | 0 | 0.010 | 0.012 | 16.322 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 368 | LEU | 0 | -0.064 | -0.029 | 15.243 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 369 | PRO | 0 | -0.008 | 0.005 | 19.331 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 370 | GLN | 0 | 0.023 | 0.002 | 20.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 371 | HIS | 0 | -0.005 | -0.010 | 21.817 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 372 | PRO | 0 | 0.055 | 0.010 | 17.481 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 373 | THR | 0 | -0.053 | -0.015 | 17.651 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 374 | VAL | 0 | -0.017 | 0.001 | 13.240 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 375 | LEU | 0 | -0.002 | 0.002 | 16.481 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 376 | SER | 0 | -0.017 | -0.035 | 14.641 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 377 | ALA | 0 | 0.011 | 0.024 | 16.403 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 378 | PRO | 0 | -0.013 | -0.007 | 16.423 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 379 | LYS | 1 | 0.881 | 0.928 | 16.769 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 380 | ALA | 0 | 0.006 | 0.025 | 18.388 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 381 | ARG | 1 | 0.759 | 0.831 | 10.893 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 382 | TYR | 0 | -0.019 | -0.008 | 13.023 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 383 | ILE | 0 | -0.010 | -0.015 | 9.463 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 384 | LEU | 0 | -0.016 | 0.000 | 13.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 385 | SER | 0 | -0.004 | -0.025 | 15.490 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 386 | TRP | 0 | 0.032 | 0.011 | 17.381 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 387 | TRP | 0 | 0.000 | -0.024 | 15.296 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 388 | GLU | -1 | -0.884 | -0.943 | 21.881 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 389 | ASN | 0 | -0.024 | -0.029 | 25.242 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 390 | GLU | -1 | -0.761 | -0.828 | 20.903 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 391 | ILE | 0 | 0.029 | 0.006 | 20.081 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 392 | ARG | 1 | 0.764 | 0.862 | 16.355 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 393 | ILE | 0 | 0.045 | 0.021 | 16.183 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 394 | TRP | 0 | -0.022 | -0.021 | 11.322 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 395 | HIS | 0 | -0.006 | 0.001 | 12.489 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 396 | LEU | 0 | -0.025 | -0.011 | 7.414 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 397 | LEU | 0 | 0.005 | 0.011 | 9.959 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 398 | ASN | 0 | 0.041 | 0.029 | 10.849 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 415 | LYS | 1 | 1.016 | 0.999 | 8.263 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 416 | ASN | 0 | 0.073 | 0.038 | 3.991 | -0.180 | -0.020 | -0.001 | -0.013 | -0.146 | 0.000 |
| 412 | A | 417 | ARG | 1 | 0.883 | 0.933 | 4.870 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 418 | LYS | 1 | 0.907 | 0.960 | 9.181 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 419 | PHE | 0 | -0.017 | -0.006 | 12.584 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 420 | LEU | 0 | 0.016 | -0.002 | 14.405 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 421 | ALA | 0 | 0.042 | 0.022 | 17.717 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 422 | GLN | 0 | -0.028 | -0.020 | 19.214 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 423 | VAL | 0 | 0.005 | 0.004 | 21.461 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 424 | LEU | 0 | 0.002 | -0.002 | 24.301 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 425 | ILE | 0 | -0.007 | 0.002 | 26.264 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 426 | LYS | 1 | 0.946 | 0.968 | 28.686 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 427 | GLY | 0 | 0.066 | 0.027 | 31.846 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 428 | ALA | 0 | 0.012 | 0.021 | 33.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 429 | SER | 0 | -0.071 | -0.054 | 32.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 430 | HIS | 0 | -0.054 | -0.006 | 27.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 431 | ILE | 0 | -0.038 | -0.011 | 24.548 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 432 | THR | 0 | -0.026 | -0.023 | 26.648 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 433 | SER | 0 | -0.049 | -0.026 | 25.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 434 | ALA | 0 | -0.013 | -0.001 | 23.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 435 | SER | 0 | -0.014 | -0.016 | 23.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 436 | ILE | 0 | -0.012 | -0.009 | 19.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 437 | SER | 0 | 0.013 | 0.001 | 23.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 438 | GLU | -1 | -0.824 | -0.939 | 21.485 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 439 | ASP | -1 | -0.753 | -0.821 | 20.873 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 440 | GLY | 0 | -0.010 | -0.015 | 20.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 441 | THR | 0 | -0.026 | -0.033 | 21.801 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 442 | LEU | 0 | -0.010 | 0.005 | 25.290 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 443 | LEU | 0 | -0.001 | 0.004 | 22.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 444 | ALA | 0 | 0.014 | 0.002 | 25.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 445 | ALA | 0 | -0.004 | -0.010 | 26.309 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 446 | SER | 0 | -0.017 | -0.008 | 28.032 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 447 | THR | 0 | 0.053 | 0.036 | 29.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 448 | PRO | 0 | 0.077 | 0.024 | 32.350 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 449 | THR | 0 | -0.039 | -0.030 | 35.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 450 | ASP | -1 | -0.876 | -0.906 | 34.165 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 451 | VAL | 0 | 0.016 | 0.007 | 32.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 452 | LYS | 1 | 0.822 | 0.906 | 30.666 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 453 | VAL | 0 | 0.070 | 0.021 | 30.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 454 | PHE | 0 | -0.050 | -0.026 | 27.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 455 | HIS | 0 | 0.018 | 0.001 | 28.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 456 | LEU | 0 | -0.049 | -0.027 | 22.060 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 457 | ASP | -1 | -0.765 | -0.892 | 25.583 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 458 | PRO | 0 | -0.043 | -0.031 | 21.201 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 459 | ALA | 0 | 0.023 | 0.011 | 22.837 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 460 | ALA | 0 | 0.010 | 0.026 | 25.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 461 | ALA | 0 | -0.025 | -0.016 | 24.216 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 462 | GLN | 0 | -0.030 | -0.025 | 24.630 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 463 | ARG | 1 | 0.988 | 0.972 | 24.974 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 464 | ASN | 0 | 0.022 | 0.022 | 23.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 465 | GLY | 0 | 0.013 | 0.013 | 20.596 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 466 | GLN | 0 | -0.040 | -0.024 | 19.572 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 467 | LEU | 0 | 0.019 | 0.014 | 20.579 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 468 | TYR | 0 | -0.001 | 0.007 | 23.302 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 469 | ILE | 0 | -0.038 | -0.017 | 23.207 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 470 | LYS | 1 | 1.001 | 1.014 | 27.323 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 471 | LYS | 1 | 0.928 | 0.960 | 30.755 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 472 | VAL | 0 | 0.002 | 0.007 | 31.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 473 | ASN | 0 | -0.043 | -0.026 | 34.271 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 474 | MET | 0 | 0.031 | 0.018 | 35.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 475 | THR | 0 | 0.003 | 0.014 | 37.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 476 | GLY | 0 | 0.015 | -0.020 | 39.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 477 | THR | 0 | -0.022 | -0.040 | 40.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 478 | GLY | 0 | 0.031 | 0.034 | 40.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 479 | LEU | 0 | -0.061 | -0.031 | 40.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 480 | GLY | 0 | 0.002 | 0.020 | 36.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 481 | ALA | 0 | -0.020 | -0.027 | 32.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 482 | THR | 0 | 0.000 | 0.029 | 32.239 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 483 | ARG | 1 | 0.894 | 0.938 | 25.323 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 484 | VAL | 0 | 0.017 | -0.002 | 28.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 485 | GLN | 0 | -0.023 | -0.004 | 25.154 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 486 | ILE | 0 | 0.001 | 0.008 | 26.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 487 | SER | 0 | -0.043 | -0.040 | 28.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 488 | PRO | 0 | 0.046 | 0.015 | 27.010 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 489 | ASP | -1 | -0.752 | -0.839 | 28.057 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 490 | LYS | 1 | 0.818 | 0.887 | 27.192 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 491 | ARG | 1 | 0.819 | 0.884 | 30.449 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 492 | TRP | 0 | -0.009 | -0.004 | 32.894 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 493 | ILE | 0 | 0.024 | 0.021 | 30.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 494 | CYS | 0 | -0.070 | -0.034 | 32.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 495 | TRP | 0 | 0.047 | -0.004 | 32.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 496 | ALA | 0 | 0.041 | 0.028 | 33.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 497 | GLU | -1 | -0.788 | -0.844 | 35.386 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 498 | GLU | -1 | -0.731 | -0.863 | 37.433 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 499 | GLY | 0 | 0.054 | 0.035 | 35.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 500 | SER | 0 | 0.007 | 0.006 | 36.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 501 | LYS | 1 | 0.749 | 0.859 | 39.786 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 502 | VAL | 0 | 0.016 | 0.003 | 36.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 503 | MET | 0 | -0.010 | 0.011 | 37.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 504 | ILE | 0 | 0.016 | 0.003 | 36.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 505 | SER | 0 | 0.018 | 0.000 | 36.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 506 | ARG | 1 | 0.815 | 0.911 | 36.572 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 507 | VAL | 0 | -0.003 | -0.004 | 32.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 508 | HIS | 0 | -0.010 | -0.011 | 36.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 509 | ALA | 0 | 0.030 | 0.010 | 34.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 510 | THR | 0 | -0.055 | -0.032 | 36.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 511 | GLU | -1 | -0.911 | -0.951 | 36.068 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 512 | SER | 0 | -0.028 | -0.019 | 37.858 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 513 | ALA | 0 | 0.033 | 0.011 | 38.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 514 | ASP | -1 | -0.918 | -0.951 | 36.547 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 515 | GLY | 0 | 0.002 | 0.017 | 33.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 516 | ILE | 0 | -0.024 | -0.011 | 31.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 517 | SER | 0 | -0.004 | 0.005 | 33.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 518 | TYR | 0 | -0.012 | -0.017 | 28.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 519 | THR | 0 | -0.011 | 0.000 | 35.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 520 | VAL | 0 | 0.013 | -0.010 | 34.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 521 | SER | 0 | -0.013 | 0.008 | 37.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 522 | VAL | 0 | 0.059 | 0.036 | 40.122 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 523 | PRO | 0 | 0.003 | 0.006 | 40.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 524 | HIS | 0 | -0.061 | -0.016 | 41.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 525 | LYS | 1 | 0.877 | 0.918 | 41.578 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 526 | LEU | 0 | 0.026 | 0.026 | 38.644 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 527 | HIS | 0 | 0.023 | 0.011 | 42.624 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 528 | ARG | 1 | 0.799 | 0.877 | 38.641 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 529 | LEU | 0 | -0.031 | -0.015 | 43.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 530 | ARG | 1 | 0.948 | 0.974 | 45.505 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 531 | ARG | 1 | 0.897 | 0.941 | 41.662 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 532 | GLN | 0 | 0.025 | 0.009 | 47.408 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 533 | ILE | 0 | 0.004 | 0.011 | 44.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 534 | PRO | 0 | 0.001 | -0.007 | 49.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 535 | LYS | 1 | 0.988 | 0.986 | 51.282 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 536 | HIS | 0 | 0.112 | 0.053 | 52.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 537 | ILE | 0 | -0.014 | -0.005 | 47.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 538 | LEU | 0 | -0.034 | -0.014 | 47.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 539 | LEU | 0 | 0.026 | 0.001 | 49.146 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 540 | GLY | 0 | 0.096 | 0.057 | 49.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 541 | GLY | 0 | -0.035 | -0.018 | 45.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 542 | LEU | 0 | -0.001 | -0.004 | 39.795 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 543 | GLY | 0 | -0.020 | -0.002 | 43.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 544 | SER | 0 | -0.086 | -0.069 | 43.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 545 | TYR | 0 | -0.002 | -0.030 | 35.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 546 | ASP | -1 | -0.853 | -0.940 | 38.269 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 547 | ARG | 1 | 0.790 | 0.881 | 38.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 548 | ASN | 0 | -0.001 | 0.013 | 34.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 549 | VAL | 0 | -0.029 | -0.025 | 32.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 550 | SER | 0 | 0.029 | -0.007 | 29.908 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 551 | GLN | 0 | -0.066 | -0.026 | 27.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 552 | ILE | 0 | -0.005 | -0.013 | 29.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 553 | ALA | 0 | 0.003 | 0.010 | 28.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 554 | PHE | 0 | 0.021 | 0.005 | 29.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 555 | SER | 0 | -0.037 | -0.038 | 29.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 556 | ALA | 0 | 0.068 | 0.024 | 28.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 557 | ASP | -1 | -0.728 | -0.817 | 29.697 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 558 | SER | 0 | -0.041 | -0.022 | 31.464 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 559 | ARG | 1 | 0.909 | 0.955 | 33.365 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 560 | MET | 0 | -0.022 | -0.004 | 35.404 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 561 | LEU | 0 | 0.003 | 0.012 | 33.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 562 | SER | 0 | -0.063 | -0.052 | 33.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 563 | VAL | 0 | 0.014 | 0.006 | 33.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 564 | ALA | 0 | 0.021 | 0.015 | 33.060 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 565 | ASP | -1 | -0.709 | -0.834 | 33.884 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 566 | LEU | 0 | 0.007 | 0.012 | 32.327 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 567 | ALA | 0 | 0.007 | 0.007 | 35.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 568 | GLY | 0 | -0.003 | 0.009 | 36.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 569 | TYR | 0 | -0.068 | -0.052 | 37.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 570 | ILE | 0 | 0.056 | 0.043 | 35.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 571 | ASP | -1 | -0.767 | -0.866 | 37.539 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 572 | THR | 0 | 0.060 | 0.044 | 37.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 573 | TRP | 0 | -0.019 | -0.017 | 37.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 574 | VAL | 0 | 0.053 | 0.015 | 39.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 575 | LEU | 0 | 0.017 | 0.024 | 37.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 576 | ARG | 1 | 0.892 | 0.951 | 40.999 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 577 | GLY | 0 | 0.045 | 0.017 | 44.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 578 | PRO | 0 | 0.026 | 0.027 | 45.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 610 | ALA | 0 | 0.027 | -0.004 | 43.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 611 | GLY | 0 | 0.038 | 0.025 | 45.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 612 | GLU | -1 | -0.842 | -0.891 | 40.434 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 613 | ARG | 1 | 0.967 | 0.973 | 43.902 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 614 | TRP | 0 | 0.002 | 0.018 | 36.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 615 | ALA | 0 | -0.036 | -0.017 | 42.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 616 | ARG | 1 | 0.781 | 0.871 | 42.033 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 617 | ASN | 0 | 0.013 | -0.009 | 41.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 618 | PRO | 0 | -0.019 | -0.022 | 43.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 619 | LYS | 1 | 0.989 | 1.010 | 44.707 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 620 | ALA | 0 | -0.018 | -0.006 | 42.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 621 | ALA | 0 | -0.029 | -0.028 | 43.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 622 | MET | 0 | -0.027 | 0.005 | 45.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 623 | ILE | 0 | -0.003 | 0.015 | 38.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 624 | PRO | 0 | -0.022 | -0.001 | 40.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 625 | LYS | 1 | 0.814 | 0.905 | 40.142 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 626 | LEU | 0 | 0.024 | 0.019 | 34.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 627 | SER | 0 | -0.010 | -0.010 | 37.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 628 | ALA | 0 | -0.041 | -0.016 | 34.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 629 | ALA | 0 | 0.060 | 0.039 | 32.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 630 | PRO | 0 | -0.002 | 0.001 | 30.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 631 | VAL | 0 | -0.013 | -0.007 | 25.687 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 632 | VAL | 0 | -0.014 | -0.010 | 23.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 633 | LEU | 0 | 0.000 | 0.000 | 26.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 634 | SER | 0 | -0.025 | -0.009 | 25.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 635 | PHE | 0 | 0.014 | -0.004 | 28.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 636 | SER | 0 | 0.046 | 0.024 | 28.225 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 637 | PRO | 0 | -0.049 | -0.020 | 25.129 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 638 | THR | 0 | -0.036 | -0.013 | 28.236 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 639 | PRO | 0 | -0.019 | -0.016 | 30.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 640 | ARG | 1 | 0.774 | 0.842 | 34.308 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 641 | ASP | -1 | -0.871 | -0.935 | 37.322 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 642 | ASP | -1 | -0.841 | -0.889 | 40.587 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 643 | GLY | 0 | -0.003 | 0.005 | 40.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 644 | ASP | -1 | -0.804 | -0.887 | 39.628 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 645 | TYR | 0 | -0.044 | -0.069 | 34.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 646 | ASP | -1 | -0.778 | -0.880 | 32.652 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 647 | LEU | 0 | -0.054 | -0.023 | 31.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 648 | LEU | 0 | 0.002 | 0.014 | 26.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 649 | VAL | 0 | -0.019 | -0.027 | 30.005 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 650 | VAL | 0 | 0.015 | 0.018 | 25.982 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 651 | THR | 0 | -0.016 | -0.015 | 29.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 652 | THR | 0 | 0.042 | 0.024 | 28.972 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 653 | LEU | 0 | -0.015 | -0.012 | 30.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 654 | LYS | 1 | 0.774 | 0.896 | 24.375 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 655 | GLN | 0 | -0.012 | 0.006 | 29.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 656 | LEU | 0 | 0.025 | 0.020 | 27.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 657 | LEU | 0 | -0.052 | -0.025 | 30.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 658 | ILE | 0 | 0.063 | 0.034 | 30.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 659 | PHE | 0 | -0.011 | 0.004 | 33.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 660 | ASN | 0 | 0.000 | -0.004 | 36.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 661 | PRO | 0 | 0.001 | 0.003 | 37.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 662 | LEU | 0 | 0.007 | 0.002 | 39.921 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 663 | ARG | 1 | 0.833 | 0.893 | 40.920 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 664 | GLY | 0 | -0.014 | -0.015 | 42.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 665 | MET | 0 | -0.043 | -0.020 | 42.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 666 | LEU | 0 | -0.034 | -0.021 | 37.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 667 | SER | 0 | 0.029 | 0.009 | 36.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 668 | GLU | -1 | -0.791 | -0.918 | 38.666 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 669 | TRP | 0 | -0.019 | -0.009 | 30.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 670 | SER | 0 | 0.034 | 0.000 | 34.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 671 | ARG | 1 | 0.884 | 0.950 | 36.619 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 672 | ARG | 1 | 0.900 | 0.943 | 36.907 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 673 | ASN | 0 | -0.079 | -0.039 | 34.130 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 674 | THR | 0 | 0.062 | 0.031 | 35.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 675 | TYR | 0 | 0.004 | -0.021 | 32.500 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 676 | PRO | 0 | 0.006 | -0.006 | 34.587 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 677 | LYS | 1 | 0.867 | 0.955 | 34.736 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 678 | LEU | 0 | -0.030 | 0.006 | 30.165 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 679 | PRO | 0 | 0.013 | 0.004 | 26.999 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 680 | GLU | -1 | -0.782 | -0.879 | 29.194 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 681 | PRO | 0 | -0.034 | -0.022 | 24.829 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 682 | PHE | 0 | 0.006 | 0.003 | 23.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 683 | ARG | 1 | 0.836 | 0.903 | 26.300 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 684 | ASP | -1 | -0.784 | -0.846 | 26.301 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 685 | THR | 0 | 0.022 | 0.003 | 26.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 686 | ARG | 1 | 0.841 | 0.893 | 26.452 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 687 | ASP | -1 | -0.842 | -0.877 | 21.314 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 688 | GLN | 0 | -0.045 | -0.046 | 23.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 689 | VAL | 0 | 0.017 | 0.001 | 21.610 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 690 | LYS | 1 | 0.757 | 0.877 | 17.395 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 691 | GLY | 0 | 0.003 | -0.004 | 19.619 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 692 | ILE | 0 | -0.030 | -0.006 | 20.224 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 693 | VAL | 0 | -0.015 | -0.011 | 15.630 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 694 | TRP | 0 | 0.023 | 0.003 | 19.100 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 695 | GLN | 0 | -0.020 | -0.021 | 18.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 696 | GLY | 0 | 0.035 | 0.024 | 21.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 697 | GLN | 0 | 0.045 | 0.009 | 25.614 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 698 | ARG | 1 | 0.876 | 0.945 | 22.553 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 699 | ALA | 0 | -0.017 | -0.005 | 22.482 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 700 | TRP | 0 | 0.012 | -0.005 | 15.993 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 701 | PHE | 0 | 0.010 | -0.010 | 19.691 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 702 | TYR | 0 | 0.035 | 0.019 | 16.040 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 703 | GLY | 0 | 0.086 | 0.061 | 18.042 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 704 | VAL | 0 | -0.011 | -0.013 | 16.985 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 705 | ALA | 0 | -0.037 | -0.032 | 15.717 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 706 | SER | 0 | -0.021 | -0.031 | 16.756 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 707 | LEU | 0 | -0.009 | -0.001 | 13.166 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 708 | PHE | 0 | 0.005 | -0.001 | 16.772 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 709 | MET | 0 | -0.017 | 0.008 | 19.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 710 | PHE | 0 | 0.006 | -0.012 | 21.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 711 | ASP | -1 | -0.750 | -0.861 | 24.644 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 712 | LEU | 0 | -0.013 | -0.008 | 27.081 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 713 | SER | 0 | -0.022 | -0.016 | 29.607 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 714 | GLN | 0 | -0.035 | -0.008 | 30.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 715 | ASP | -1 | -0.792 | -0.855 | 32.437 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 716 | PHE | 0 | -0.034 | -0.014 | 28.015 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 717 | SER | 0 | 0.021 | 0.005 | 33.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 824 | ALA | 0 | 0.018 | 0.001 | 27.973 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 825 | LYS | 1 | 0.922 | 0.954 | 27.510 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 826 | TRP | 0 | -0.025 | -0.004 | 24.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 827 | TRP | 0 | 0.004 | 0.000 | 20.626 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 828 | HIS | 0 | -0.014 | -0.019 | 19.245 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 829 | THR | 0 | 0.010 | -0.003 | 14.207 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 830 | TYR | 0 | 0.055 | 0.010 | 16.358 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 831 | GLN | 0 | -0.031 | 0.023 | 10.158 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 832 | PHE | 0 | -0.013 | 0.003 | 7.760 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 833 | ARG | 1 | 0.949 | 0.967 | 10.499 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 834 | PRO | 0 | -0.056 | 0.000 | 11.900 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 835 | ILE | 0 | 0.011 | -0.009 | 12.003 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 836 | MET | 0 | -0.049 | -0.017 | 12.881 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 837 | GLY | 0 | 0.054 | 0.007 | 13.205 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 838 | ILE | 0 | -0.022 | 0.000 | 11.556 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 839 | VAL | 0 | -0.014 | 0.010 | 12.736 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 840 | PRO | 0 | 0.071 | 0.036 | 13.008 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 841 | ILE | 0 | -0.077 | -0.027 | 10.255 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 842 | GLU | -1 | -0.786 | -0.885 | 14.592 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 843 | GLY | 0 | 0.023 | 0.031 | 15.464 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 855 | ILE | 0 | -0.013 | -0.018 | 21.991 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 856 | PRO | 0 | 0.014 | 0.029 | 21.549 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 857 | PRO | 0 | 0.046 | 0.028 | 16.750 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 858 | LEU | 0 | -0.015 | -0.010 | 15.365 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 859 | GLU | -1 | -0.711 | -0.793 | 10.463 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 860 | VAL | 0 | -0.001 | -0.015 | 10.104 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 861 | ALA | 0 | -0.030 | -0.009 | 8.248 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 862 | LEU | 0 | 0.030 | 0.020 | 7.671 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 863 | ILE | 0 | -0.012 | 0.000 | 7.314 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 864 | GLU | -1 | -0.692 | -0.796 | 7.635 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 865 | ARG | 1 | 0.843 | 0.914 | 9.867 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 866 | PRO | 0 | 0.017 | 0.007 | 10.849 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 867 | LEU | 0 | 0.014 | 0.002 | 13.792 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 868 | SER | 0 | 0.016 | 0.030 | 15.985 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |