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: ZNYYN
Calculation Name: 2OLS-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2OLS
Chain ID: A
UniProt ID: Q9K0I2
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 734 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17041356.716757 |
|---|---|
| FMO2-HF: Nuclear repulsion | 16755441.922575 |
| FMO2-HF: Total energy | -285914.794182 |
| FMO2-MP2: Total energy | -286740.236061 |
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:4:ASN)
Summations of interaction energy for
fragment #1(A:4:ASN)
| 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. |
| -37.725 | -33.55 | 12.16 | -8.228 | -8.109 | -0.075 |
Interaction energy analysis for fragmet #1(A:4:ASN)
| 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 | 6 | VAL | 0 | 0.035 | 0.016 | 3.204 | -0.032 | 2.468 | 0.005 | -1.318 | -1.187 | 0.000 |
| 4 | A | 7 | ILE | 0 | -0.035 | -0.020 | 3.102 | -1.410 | -0.045 | 0.083 | -0.670 | -0.778 | -0.006 |
| 5 | A | 8 | TRP | 0 | 0.030 | 0.019 | 5.123 | -0.214 | -0.190 | -0.001 | -0.001 | -0.022 | 0.000 |
| 6 | A | 9 | PHE | 0 | -0.002 | 0.001 | 8.571 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 10 | GLU | -1 | -0.852 | -0.931 | 11.483 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 11 | ASN | 0 | -0.097 | -0.053 | 8.240 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 12 | LEU | 0 | -0.054 | -0.017 | 7.738 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 13 | ARG | 1 | 0.840 | 0.886 | 10.951 | -1.075 | -1.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 14 | MET | 0 | 0.030 | 0.006 | 13.329 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 15 | THR | 0 | -0.007 | -0.011 | 12.879 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 16 | ASP | -1 | -0.830 | -0.894 | 9.303 | 2.210 | 2.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 17 | VAL | 0 | 0.013 | 0.001 | 10.647 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 18 | GLU | -1 | -0.896 | -0.954 | 11.461 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 19 | ARG | 1 | 0.806 | 0.888 | 4.822 | -3.124 | -3.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 20 | VAL | 0 | 0.032 | 0.007 | 7.948 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 21 | GLY | 0 | 0.072 | 0.068 | 10.252 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 22 | GLY | 0 | 0.025 | -0.007 | 13.948 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 23 | LYS | 1 | 0.911 | 0.961 | 16.822 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 24 | ASN | 0 | 0.054 | 0.007 | 11.880 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 25 | ALA | 0 | -0.011 | 0.015 | 13.146 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 26 | SER | 0 | 0.053 | 0.002 | 14.001 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 27 | LEU | 0 | -0.036 | -0.014 | 15.324 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 28 | GLY | 0 | 0.052 | 0.030 | 13.525 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 29 | GLU | -1 | -0.780 | -0.824 | 14.459 | 0.803 | 0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 30 | MET | 0 | -0.039 | -0.017 | 17.281 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 31 | ILE | 0 | -0.012 | -0.004 | 15.402 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 32 | SER | 0 | -0.032 | -0.033 | 15.354 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 33 | GLN | 0 | -0.063 | -0.029 | 17.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 34 | LEU | 0 | -0.006 | -0.013 | 20.846 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 35 | THR | 0 | -0.017 | 0.008 | 20.389 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 36 | GLU | -1 | -0.956 | -0.969 | 23.276 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 37 | LYS | 1 | 0.865 | 0.935 | 25.643 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 38 | GLY | 0 | 0.015 | 0.006 | 27.008 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 39 | VAL | 0 | -0.011 | 0.008 | 23.676 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 40 | ARG | 1 | 0.859 | 0.930 | 23.795 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 41 | VAL | 0 | 0.005 | 0.004 | 18.551 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 42 | PRO | 0 | -0.008 | 0.005 | 19.576 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 43 | GLY | 0 | 0.052 | 0.018 | 15.985 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 44 | GLY | 0 | 0.027 | -0.019 | 13.565 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 45 | PHE | 0 | -0.005 | 0.005 | 8.327 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 46 | ALA | 0 | 0.026 | 0.016 | 8.306 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 47 | THR | 0 | 0.054 | 0.041 | 6.930 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 48 | THR | 0 | -0.020 | -0.009 | 3.750 | 0.426 | 1.212 | 0.004 | -0.391 | -0.400 | 0.001 |
| 46 | A | 49 | ALA | 0 | 0.011 | -0.006 | 6.945 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 50 | GLU | -1 | -0.892 | -0.958 | 1.895 | -31.299 | -33.134 | 12.034 | -5.071 | -5.129 | -0.064 |
| 48 | A | 51 | ALA | 0 | 0.040 | 0.035 | 6.244 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 52 | TYR | 0 | -0.020 | -0.013 | 7.231 | 0.724 | 0.724 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 53 | ARG | 1 | 0.872 | 0.918 | 8.496 | 2.238 | 2.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 54 | ALA | 0 | 0.005 | 0.024 | 7.412 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 55 | PHE | 0 | -0.049 | -0.040 | 9.491 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 56 | LEU | 0 | -0.005 | 0.005 | 12.340 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 57 | ALA | 0 | 0.017 | 0.001 | 12.485 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 58 | HIS | 0 | 0.031 | 0.024 | 14.330 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 59 | ASN | 0 | -0.039 | 0.000 | 16.502 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 60 | GLY | 0 | 0.036 | 0.030 | 18.229 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 61 | LEU | 0 | -0.075 | -0.061 | 18.159 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 62 | SER | 0 | -0.037 | -0.017 | 15.871 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 63 | GLU | -1 | -0.815 | -0.928 | 17.579 | -1.125 | -1.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 64 | ARG | 1 | 0.877 | 0.966 | 20.755 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 65 | ILE | 0 | -0.003 | -0.006 | 19.364 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 66 | SER | 0 | -0.007 | -0.007 | 20.795 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 67 | ALA | 0 | 0.005 | 0.011 | 22.821 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 68 | ALA | 0 | -0.064 | -0.036 | 25.984 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 69 | LEU | 0 | -0.022 | -0.035 | 23.316 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 70 | ALA | 0 | -0.010 | 0.024 | 26.842 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 71 | LYS | 1 | 0.902 | 0.964 | 28.266 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 72 | LEU | 0 | -0.028 | -0.027 | 29.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 73 | ASP | -1 | -0.823 | -0.899 | 31.935 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 74 | VAL | 0 | -0.034 | -0.025 | 29.972 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 75 | GLU | -1 | -0.837 | -0.902 | 32.946 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 76 | ASP | -1 | -0.891 | -0.931 | 36.035 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 77 | VAL | 0 | -0.024 | -0.027 | 36.250 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 78 | ALA | 0 | -0.008 | -0.010 | 36.376 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 79 | GLU | -1 | -0.746 | -0.836 | 33.900 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 80 | LEU | 0 | -0.055 | -0.011 | 30.130 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 81 | ALA | 0 | 0.018 | 0.005 | 31.384 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 82 | ARG | 1 | 0.673 | 0.796 | 32.397 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 83 | VAL | 0 | 0.033 | 0.006 | 28.276 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 84 | GLY | 0 | 0.073 | 0.037 | 27.507 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 85 | LYS | 1 | 0.909 | 0.966 | 27.174 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 86 | GLU | -1 | -0.861 | -0.911 | 28.404 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 87 | ILE | 0 | 0.003 | -0.004 | 22.650 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 88 | ARG | 1 | 0.778 | 0.835 | 23.582 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 89 | GLN | 0 | -0.051 | -0.024 | 24.063 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 90 | TRP | 0 | 0.011 | 0.001 | 22.938 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 91 | ILE | 0 | -0.012 | 0.021 | 18.402 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 92 | LEU | 0 | -0.019 | -0.013 | 19.922 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 93 | ASP | -1 | -0.899 | -0.931 | 22.116 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 94 | THR | 0 | -0.050 | -0.028 | 16.943 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 95 | PRO | 0 | 0.001 | 0.008 | 17.662 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 96 | PHE | 0 | -0.016 | -0.017 | 12.992 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 97 | PRO | 0 | 0.033 | 0.013 | 10.152 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 98 | GLU | -1 | -0.891 | -0.949 | 11.873 | -1.205 | -1.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 99 | GLN | 0 | -0.074 | -0.042 | 4.186 | 0.532 | 0.665 | -0.001 | -0.006 | -0.126 | 0.000 |
| 97 | A | 100 | LEU | 0 | -0.014 | -0.005 | 7.758 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 101 | ASP | -1 | -0.782 | -0.907 | 8.791 | -1.024 | -1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 102 | ALA | 0 | 0.030 | 0.016 | 9.815 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 103 | GLU | -1 | -0.841 | -0.926 | 3.296 | -8.087 | -6.885 | 0.036 | -0.771 | -0.467 | -0.006 |
| 101 | A | 104 | ILE | 0 | -0.012 | -0.016 | 7.654 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 105 | GLU | -1 | -0.943 | -0.960 | 10.099 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 106 | ALA | 0 | -0.021 | -0.007 | 9.207 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 107 | ALA | 0 | -0.031 | -0.009 | 8.438 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 108 | TRP | 0 | 0.036 | -0.008 | 10.492 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 109 | ASN | 0 | 0.002 | -0.021 | 13.932 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 110 | LYS | 1 | 0.801 | 0.920 | 11.982 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 111 | MET | 0 | -0.008 | 0.011 | 13.617 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 112 | VAL | 0 | -0.013 | -0.011 | 15.996 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 113 | ALA | 0 | -0.020 | 0.007 | 17.511 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 114 | ASP | -1 | -0.835 | -0.914 | 15.966 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 115 | ALA | 0 | -0.116 | -0.052 | 19.206 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 116 | GLY | 0 | 0.007 | 0.000 | 21.899 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 117 | GLY | 0 | -0.074 | -0.022 | 24.153 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 118 | ALA | 0 | 0.055 | -0.007 | 23.104 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 119 | ASP | -1 | -0.948 | -0.941 | 23.217 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 120 | ILE | 0 | -0.060 | -0.026 | 18.333 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 121 | SER | 0 | 0.013 | 0.005 | 22.160 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 122 | VAL | 0 | -0.028 | -0.032 | 17.248 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 123 | ALA | 0 | 0.013 | -0.003 | 19.307 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 124 | VAL | 0 | -0.020 | -0.005 | 15.800 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 125 | ARG | 1 | 0.841 | 0.904 | 16.774 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 126 | SER | 0 | 0.052 | 0.034 | 16.216 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 127 | SER | 0 | -0.047 | -0.043 | 14.076 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 128 | ALA | 0 | 0.037 | 0.008 | 14.633 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 129 | THR | 0 | 0.010 | 0.013 | 13.256 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 130 | ALA | 0 | -0.046 | -0.011 | 15.777 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 138 | PHE | 0 | -0.050 | -0.038 | 23.040 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 139 | ALA | 0 | -0.032 | -0.012 | 25.818 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 140 | GLY | 0 | 0.039 | 0.026 | 25.428 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 141 | GLN | 0 | 0.056 | 0.014 | 26.484 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 142 | GLN | 0 | -0.092 | -0.067 | 19.777 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 143 | GLU | -1 | -0.772 | -0.914 | 21.987 | -0.554 | -0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 144 | THR | 0 | -0.062 | -0.021 | 20.859 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 145 | PHE | 0 | 0.006 | 0.024 | 21.062 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 146 | LEU | 0 | 0.061 | 0.018 | 21.780 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 147 | ASN | 0 | 0.010 | 0.008 | 23.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 148 | ILE | 0 | -0.011 | 0.007 | 20.556 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 149 | ASN | 0 | 0.015 | -0.024 | 21.392 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 150 | GLY | 0 | 0.064 | 0.038 | 21.139 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 151 | LEU | 0 | 0.004 | 0.002 | 15.180 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 152 | ASP | -1 | -0.823 | -0.928 | 17.852 | -0.681 | -0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 153 | ASN | 0 | -0.008 | 0.001 | 20.172 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 154 | VAL | 0 | 0.019 | 0.010 | 15.322 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 155 | LYS | 1 | 0.865 | 0.931 | 14.663 | 0.783 | 0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 156 | GLU | -1 | -0.918 | -0.954 | 16.949 | -0.636 | -0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 157 | ALA | 0 | 0.054 | 0.025 | 19.341 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 158 | MET | 0 | -0.046 | -0.030 | 11.218 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 159 | HIS | 1 | 0.798 | 0.904 | 16.702 | 1.006 | 1.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 160 | HIS | 0 | -0.022 | 0.002 | 18.603 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 161 | VAL | 0 | 0.047 | 0.029 | 16.335 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 162 | PHE | 0 | -0.030 | -0.011 | 11.601 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 163 | ALA | 0 | 0.035 | 0.027 | 17.516 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 164 | SER | 0 | -0.027 | -0.026 | 20.228 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 165 | LEU | 0 | -0.060 | -0.014 | 16.767 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 166 | TYR | 0 | -0.002 | -0.026 | 17.875 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 167 | ASN | 0 | 0.040 | 0.029 | 23.409 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 168 | ASP | -1 | -0.791 | -0.883 | 26.387 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 169 | ARG | 1 | 0.934 | 0.957 | 28.456 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 170 | ALA | 0 | 0.002 | 0.013 | 24.068 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 171 | ILE | 0 | 0.015 | 0.006 | 25.052 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 172 | SER | 0 | 0.055 | 0.020 | 26.528 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 173 | TYR | 0 | -0.054 | -0.032 | 25.007 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 174 | ARG | 1 | 0.853 | 0.920 | 21.104 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 175 | VAL | 0 | 0.059 | 0.035 | 25.901 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 176 | HIS | 1 | 0.728 | 0.820 | 28.430 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 177 | LYS | 1 | 0.854 | 0.935 | 26.525 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 178 | GLY | 0 | 0.003 | 0.035 | 27.958 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 179 | PHE | 0 | 0.013 | 0.045 | 23.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 180 | GLU | -1 | -0.632 | -0.912 | 20.947 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 181 | HIS | 1 | 0.543 | 0.722 | 20.855 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 182 | ASP | -1 | -0.877 | -0.782 | 20.000 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 183 | ILE | 0 | -0.066 | -0.050 | 16.525 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 184 | VAL | 0 | -0.026 | -0.027 | 16.393 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 185 | ALA | 0 | -0.015 | -0.008 | 12.301 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 186 | LEU | 0 | -0.046 | -0.022 | 13.799 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 187 | SER | 0 | -0.020 | -0.006 | 10.124 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 188 | ALA | 0 | 0.031 | 0.009 | 11.583 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 189 | GLY | 0 | 0.003 | 0.007 | 11.520 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 190 | VAL | 0 | -0.017 | -0.011 | 12.724 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 191 | GLN | 0 | -0.008 | 0.005 | 14.159 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 192 | ARG | 1 | 0.964 | 0.993 | 16.768 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 193 | MET | 0 | -0.040 | 0.011 | 19.430 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 194 | VAL | 0 | 0.001 | 0.002 | 22.935 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 195 | ARG | 1 | 0.830 | 0.873 | 25.684 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 196 | SER | 0 | 0.018 | 0.016 | 28.939 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 197 | ASP | -1 | -0.866 | -0.887 | 30.546 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 198 | SER | 0 | -0.008 | -0.009 | 32.329 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 199 | GLY | 0 | -0.016 | -0.003 | 33.724 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 200 | ALA | 0 | -0.033 | -0.022 | 33.656 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 201 | SER | 0 | -0.038 | -0.031 | 30.059 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 202 | GLY | 0 | 0.048 | 0.015 | 30.689 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 203 | VAL | 0 | -0.007 | 0.002 | 29.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 204 | MET | 0 | -0.048 | -0.002 | 30.052 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 205 | PHE | 0 | 0.043 | 0.022 | 30.765 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 206 | THR | 0 | -0.080 | -0.054 | 30.992 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 207 | LEU | 0 | -0.014 | 0.003 | 33.647 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 208 | ASP | -1 | -0.764 | -0.837 | 36.372 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 209 | THR | 0 | 0.007 | 0.006 | 34.883 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 210 | GLU | -1 | -0.929 | -0.954 | 37.500 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 211 | SER | 0 | -0.087 | -0.088 | 41.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 212 | GLY | 0 | -0.001 | -0.013 | 38.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 213 | TYR | 0 | -0.066 | -0.039 | 39.144 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 214 | ASP | -1 | -0.803 | -0.901 | 36.891 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 215 | GLN | 0 | -0.092 | -0.055 | 38.151 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 216 | VAL | 0 | -0.049 | -0.023 | 39.595 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 217 | VAL | 0 | -0.016 | -0.010 | 34.399 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 218 | PHE | 0 | 0.047 | 0.025 | 36.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 219 | VAL | 0 | -0.022 | -0.021 | 35.109 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 220 | THR | 0 | 0.037 | 0.019 | 34.385 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 221 | SER | 0 | -0.017 | -0.032 | 34.713 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 222 | SER | 0 | 0.024 | 0.000 | 35.415 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 223 | TYR | 0 | -0.021 | -0.022 | 35.558 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 224 | GLY | 0 | 0.017 | 0.023 | 33.863 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 225 | LEU | 0 | -0.058 | -0.014 | 27.615 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 226 | GLY | 0 | 0.102 | 0.043 | 29.019 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 227 | GLU | -1 | -0.902 | -0.961 | 25.994 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 228 | ASN | 0 | 0.021 | -0.021 | 29.138 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 229 | VAL | 0 | 0.013 | 0.022 | 32.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 230 | VAL | 0 | -0.025 | 0.001 | 27.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 231 | GLN | 0 | -0.119 | -0.068 | 27.879 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 232 | GLY | 0 | -0.012 | 0.013 | 32.185 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 233 | ALA | 0 | -0.063 | -0.026 | 35.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 234 | VAL | 0 | -0.052 | -0.024 | 36.116 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 235 | ASN | 0 | 0.063 | 0.040 | 38.376 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 236 | PRO | 0 | -0.013 | -0.012 | 37.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 237 | ASP | -1 | -0.717 | -0.820 | 39.493 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 238 | GLU | -1 | -0.939 | -0.973 | 39.256 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 239 | PHE | 0 | 0.008 | -0.009 | 39.074 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 240 | TYR | 0 | -0.005 | -0.005 | 39.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 241 | VAL | 0 | 0.002 | -0.006 | 38.905 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 242 | PHE | 0 | 0.015 | -0.001 | 40.443 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 243 | LYS | 1 | 0.806 | 0.881 | 35.095 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 244 | PRO | 0 | -0.034 | -0.018 | 40.165 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 245 | THR | 0 | 0.040 | 0.011 | 42.794 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 246 | LEU | 0 | 0.042 | 0.030 | 37.121 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 247 | LYS | 1 | 0.899 | 0.948 | 36.901 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 248 | ALA | 0 | -0.058 | -0.018 | 40.348 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 249 | GLY | 0 | -0.015 | -0.001 | 42.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 250 | LYS | 1 | 0.846 | 0.943 | 43.361 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 251 | PRO | 0 | 0.019 | -0.004 | 44.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 252 | ALA | 0 | 0.019 | 0.006 | 42.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 253 | ILE | 0 | -0.028 | 0.008 | 41.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 254 | LEU | 0 | -0.042 | -0.021 | 44.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 255 | ARG | 1 | 0.874 | 0.922 | 45.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 256 | LYS | 1 | 0.853 | 0.916 | 44.400 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 257 | THR | 0 | -0.019 | -0.009 | 44.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 258 | MET | 0 | -0.031 | 0.007 | 44.076 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 259 | GLY | 0 | 0.031 | 0.031 | 42.725 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 260 | SER | 0 | -0.037 | -0.048 | 43.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 261 | LYS | 1 | 0.734 | 0.870 | 40.681 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 262 | HIS | 0 | 0.070 | 0.040 | 42.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 263 | ILE | 0 | -0.009 | 0.007 | 37.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 264 | LYS | 1 | 0.905 | 0.955 | 36.487 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 265 | MET | 0 | -0.004 | 0.016 | 30.173 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 266 | ILE | 0 | 0.005 | -0.003 | 32.960 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 267 | PHE | 0 | 0.041 | -0.003 | 26.856 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 268 | THR | 0 | -0.045 | -0.028 | 31.264 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 269 | ASP | -1 | -0.874 | -0.932 | 31.503 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 270 | LYS | 1 | 0.812 | 0.888 | 32.879 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 271 | ALA | 0 | 0.040 | 0.023 | 27.715 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 272 | GLU | -1 | -0.945 | -0.961 | 28.414 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 273 | ALA | 0 | 0.039 | 0.009 | 25.998 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 274 | GLY | 0 | 0.058 | 0.031 | 25.862 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 275 | LYS | 1 | 0.812 | 0.902 | 27.753 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 276 | SER | 0 | 0.077 | 0.045 | 26.169 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 277 | VAL | 0 | -0.001 | 0.009 | 27.927 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 278 | THR | 0 | -0.037 | -0.024 | 30.589 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 279 | ASN | 0 | 0.018 | 0.020 | 34.092 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 280 | VAL | 0 | -0.019 | 0.000 | 36.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 281 | ASP | -1 | -0.845 | -0.932 | 39.639 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 282 | VAL | 0 | -0.078 | -0.026 | 40.365 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 283 | PRO | 0 | -0.034 | -0.019 | 42.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 284 | GLU | -1 | -0.800 | -0.914 | 46.009 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 285 | GLU | -1 | -0.863 | -0.904 | 47.141 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 286 | ASP | -1 | -0.771 | -0.909 | 42.414 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 287 | ARG | 1 | 0.791 | 0.918 | 44.587 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 288 | ASN | 0 | -0.032 | -0.024 | 45.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 289 | ARG | 1 | 0.834 | 0.898 | 44.919 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 290 | PHE | 0 | 0.007 | 0.000 | 43.161 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 291 | SER | 0 | -0.037 | -0.036 | 38.660 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 292 | ILE | 0 | -0.066 | -0.038 | 36.015 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 293 | THR | 0 | -0.026 | -0.041 | 39.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 294 | ASP | -1 | -0.784 | -0.887 | 40.407 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 295 | GLU | -1 | -0.853 | -0.900 | 40.390 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 296 | GLU | -1 | -0.765 | -0.868 | 36.466 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 297 | ILE | 0 | 0.007 | 0.010 | 36.196 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 298 | THR | 0 | -0.047 | -0.040 | 37.041 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 299 | GLU | -1 | -0.837 | -0.897 | 32.787 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 300 | LEU | 0 | -0.005 | -0.011 | 31.215 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 301 | ALA | 0 | 0.060 | 0.023 | 32.450 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 302 | HIS | 0 | -0.019 | -0.019 | 33.915 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 303 | TYR | 0 | -0.077 | -0.061 | 28.620 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 304 | ALA | 0 | 0.018 | 0.010 | 29.148 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 305 | LEU | 0 | 0.013 | 0.010 | 30.141 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 306 | THR | 0 | -0.124 | -0.055 | 28.796 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 307 | ILE | 0 | 0.058 | 0.019 | 24.684 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 308 | GLU | -1 | -0.779 | -0.858 | 26.630 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 309 | LYS | 1 | 0.874 | 0.922 | 29.142 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 310 | HIS | 0 | -0.089 | -0.042 | 21.222 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 311 | TYR | 0 | 0.010 | -0.010 | 20.251 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 312 | GLY | 0 | -0.024 | 0.004 | 25.222 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 313 | ARG | 1 | 0.881 | 0.934 | 25.402 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 314 | PRO | 0 | 0.072 | 0.033 | 29.141 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 315 | MET | 0 | -0.060 | -0.001 | 23.509 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 316 | ASP | -1 | -0.805 | -0.884 | 27.265 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 317 | ILE | 0 | -0.012 | -0.019 | 25.714 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 318 | GLU | -1 | -0.812 | -0.889 | 24.233 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 319 | TRP | 0 | 0.016 | 0.002 | 25.844 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 320 | GLY | 0 | 0.023 | -0.001 | 27.915 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 321 | ARG | 1 | 0.825 | 0.910 | 29.099 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 322 | ASP | -1 | -0.793 | -0.910 | 28.116 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 323 | GLY | 0 | 0.018 | -0.002 | 30.676 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 324 | LEU | 0 | -0.063 | -0.022 | 30.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 325 | ASP | -1 | -0.858 | -0.920 | 28.968 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 326 | GLY | 0 | 0.023 | 0.020 | 31.998 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 327 | LYS | 1 | 0.795 | 0.893 | 29.189 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 328 | LEU | 0 | 0.012 | 0.014 | 30.165 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 329 | TYR | 0 | -0.043 | -0.033 | 23.969 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 330 | ILE | 0 | 0.015 | -0.001 | 23.058 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 331 | LEU | 0 | -0.036 | -0.023 | 22.173 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 332 | GLN | 0 | 0.020 | -0.004 | 18.319 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 333 | ALA | 0 | 0.030 | 0.017 | 21.359 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 334 | ARG | 1 | 0.767 | 0.874 | 21.696 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 335 | PRO | 0 | 0.045 | 0.004 | 22.693 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 336 | GLU | -1 | -0.898 | -0.950 | 25.844 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 337 | THR | 0 | -0.059 | -0.017 | 27.535 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 360 | LEU | 0 | -0.005 | -0.003 | 53.834 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 361 | CYS | 0 | -0.070 | -0.038 | 50.861 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 362 | GLU | -1 | -0.887 | -0.949 | 49.421 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 363 | GLY | 0 | 0.054 | -0.005 | 46.050 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 364 | ARG | 1 | 0.824 | 0.923 | 38.466 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 365 | ALA | 0 | 0.043 | 0.034 | 42.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 366 | ILE | 0 | -0.128 | -0.040 | 36.609 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 367 | GLY | 0 | 0.010 | -0.009 | 36.948 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 368 | GLN | 0 | 0.066 | 0.046 | 38.414 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 369 | LYS | 1 | 0.885 | 0.941 | 40.715 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 370 | VAL | 0 | 0.012 | 0.021 | 43.588 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 371 | GLY | 0 | 0.035 | 0.007 | 46.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 372 | GLN | 0 | -0.019 | -0.026 | 48.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 373 | GLY | 0 | 0.042 | 0.023 | 50.764 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 374 | LYS | 1 | 0.869 | 0.939 | 53.270 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 375 | VAL | 0 | 0.018 | 0.018 | 53.077 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 376 | ARG | 1 | 0.732 | 0.828 | 48.641 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 391 | ASP | -1 | -0.802 | -0.877 | 50.183 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 392 | VAL | 0 | -0.015 | -0.006 | 48.749 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 393 | LEU | 0 | -0.028 | -0.023 | 44.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 394 | VAL | 0 | 0.036 | 0.023 | 47.635 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 395 | THR | 0 | -0.046 | -0.025 | 45.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 396 | ASP | -1 | -0.773 | -0.873 | 46.260 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 397 | MET | 0 | -0.039 | -0.051 | 38.007 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 398 | THR | 0 | -0.043 | 0.006 | 39.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 399 | ASP | -1 | -0.735 | -0.871 | 38.356 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 400 | PRO | 0 | 0.029 | -0.010 | 34.526 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 401 | ASP | -1 | -0.872 | -0.929 | 36.866 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 402 | TRP | 0 | -0.100 | -0.048 | 39.957 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 403 | GLU | -1 | -0.812 | -0.924 | 35.142 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 404 | PRO | 0 | -0.020 | -0.004 | 39.421 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 405 | VAL | 0 | -0.043 | -0.041 | 42.003 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 406 | MET | 0 | 0.017 | 0.023 | 39.039 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 407 | LYS | 1 | 0.938 | 0.978 | 37.114 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 408 | ARG | 1 | 0.894 | 0.972 | 42.735 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 409 | ALA | 0 | -0.026 | -0.020 | 45.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 410 | SER | 0 | 0.001 | -0.010 | 45.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 411 | ALA | 0 | 0.053 | 0.034 | 45.081 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 412 | ILE | 0 | -0.060 | -0.010 | 41.352 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 413 | VAL | 0 | 0.036 | 0.017 | 44.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 414 | THR | 0 | -0.036 | -0.035 | 42.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 415 | ASN | 0 | 0.025 | -0.007 | 45.359 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 416 | ARG | 1 | 0.890 | 0.961 | 42.185 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 417 | GLY | 0 | 0.030 | -0.011 | 39.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 418 | GLY | 0 | 0.040 | 0.012 | 37.325 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 419 | ARG | 1 | 1.017 | 0.991 | 30.790 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 420 | THR | 0 | 0.000 | -0.002 | 29.511 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 421 | CYS | 0 | -0.036 | 0.010 | 32.708 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 422 | HIS | 1 | 0.895 | 0.943 | 34.157 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 423 | ALA | 0 | 0.049 | 0.019 | 35.701 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 424 | ALA | 0 | 0.028 | 0.002 | 35.906 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 425 | ILE | 0 | -0.039 | -0.018 | 30.018 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 426 | ILE | 0 | 0.046 | 0.007 | 33.864 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 427 | ALA | 0 | 0.004 | 0.018 | 35.868 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 428 | ARG | 1 | 0.795 | 0.902 | 32.356 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 429 | GLU | -1 | -0.899 | -0.936 | 31.184 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 430 | LEU | 0 | -0.036 | -0.028 | 33.912 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 431 | GLY | 0 | 0.029 | 0.036 | 37.538 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 432 | ILE | 0 | -0.078 | -0.055 | 39.559 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 433 | PRO | 0 | 0.022 | -0.006 | 40.051 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 434 | ALA | 0 | 0.033 | -0.001 | 40.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 435 | VAL | 0 | -0.026 | 0.036 | 42.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 436 | VAL | 0 | -0.047 | -0.009 | 39.248 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 437 | GLY | 0 | 0.018 | 0.021 | 42.679 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 438 | CYS | 0 | -0.033 | 0.011 | 43.826 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 439 | GLY | 0 | -0.008 | 0.000 | 47.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 440 | ASN | 0 | -0.025 | -0.027 | 49.027 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 441 | ALA | 0 | 0.077 | 0.033 | 50.027 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 442 | THR | 0 | -0.024 | -0.005 | 51.449 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 443 | GLU | -1 | -0.960 | -0.969 | 53.222 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 444 | LEU | 0 | -0.029 | -0.009 | 53.699 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 445 | LEU | 0 | -0.023 | -0.008 | 51.776 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 446 | LYS | 1 | 0.980 | 0.990 | 55.782 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 447 | ASN | 0 | 0.029 | -0.007 | 56.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 448 | GLY | 0 | -0.054 | -0.009 | 57.865 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 449 | GLN | 0 | 0.031 | -0.002 | 57.404 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 450 | GLU | -1 | -0.880 | -0.937 | 57.049 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 451 | VAL | 0 | -0.037 | -0.006 | 52.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 452 | THR | 0 | -0.051 | -0.038 | 52.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 453 | VAL | 0 | -0.007 | -0.007 | 46.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 454 | SER | 0 | -0.003 | 0.001 | 47.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 455 | CYS | 0 | -0.004 | -0.001 | 42.824 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 456 | ALA | 0 | -0.006 | 0.007 | 43.765 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 457 | GLU | -1 | -0.885 | -0.943 | 46.033 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 458 | GLY | 0 | 0.033 | 0.028 | 43.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 459 | ASP | -1 | -0.836 | -0.920 | 40.367 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 460 | THR | 0 | -0.018 | -0.019 | 42.832 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 461 | GLY | 0 | 0.022 | -0.002 | 44.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 462 | PHE | 0 | 0.011 | 0.012 | 45.909 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 463 | ILE | 0 | -0.012 | -0.023 | 49.122 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 464 | TYR | 0 | 0.071 | 0.052 | 51.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 465 | ALA | 0 | -0.016 | -0.016 | 54.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 466 | GLY | 0 | 0.016 | -0.011 | 57.510 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 467 | LEU | 0 | -0.009 | 0.027 | 55.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 480 | MET | 0 | 0.038 | 0.015 | 52.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 481 | PRO | 0 | -0.029 | -0.007 | 54.696 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 482 | LYS | 1 | 0.933 | 0.962 | 58.168 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 483 | ALA | 0 | 0.089 | 0.049 | 60.367 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 484 | PRO | 0 | -0.028 | -0.010 | 62.286 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 485 | VAL | 0 | -0.003 | 0.009 | 64.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 486 | LYS | 1 | 0.847 | 0.903 | 60.335 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 487 | VAL | 0 | 0.033 | 0.017 | 59.235 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 488 | MET | 0 | -0.023 | -0.005 | 58.212 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 489 | MET | 0 | 0.002 | 0.003 | 52.473 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 490 | ASN | 0 | 0.004 | -0.004 | 58.232 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 491 | VAL | 0 | 0.012 | -0.011 | 54.092 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 492 | GLY | 0 | -0.012 | -0.009 | 57.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 493 | ASN | 0 | 0.042 | 0.018 | 52.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 494 | PRO | 0 | 0.024 | 0.015 | 51.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 495 | GLU | -1 | -0.911 | -0.944 | 48.849 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 496 | LEU | 0 | 0.012 | -0.002 | 48.359 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 497 | ALA | 0 | -0.015 | 0.011 | 49.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 498 | PHE | 0 | -0.008 | -0.019 | 43.977 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 499 | SER | 0 | -0.032 | -0.029 | 45.816 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 500 | PHE | 0 | 0.009 | -0.011 | 47.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 501 | ALA | 0 | -0.007 | 0.012 | 45.937 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 502 | ASN | 0 | -0.027 | -0.020 | 43.621 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 503 | LEU | 0 | -0.014 | 0.011 | 47.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 504 | PRO | 0 | -0.022 | -0.003 | 50.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 505 | SER | 0 | 0.006 | -0.006 | 52.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 506 | GLU | -1 | -0.926 | -0.979 | 54.016 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 507 | GLY | 0 | -0.016 | -0.002 | 54.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 508 | ILE | 0 | -0.020 | -0.001 | 53.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 509 | GLY | 0 | 0.044 | 0.015 | 57.358 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 510 | LEU | 0 | -0.029 | -0.027 | 60.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 511 | ALA | 0 | 0.010 | 0.017 | 57.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 512 | ARG | 1 | 0.877 | 0.931 | 59.245 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 513 | MET | 0 | 0.066 | 0.041 | 58.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 514 | GLU | -1 | -0.752 | -0.887 | 60.544 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 515 | PHE | 0 | -0.005 | -0.003 | 54.208 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 516 | ILE | 0 | 0.048 | 0.025 | 55.129 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 517 | ILE | 0 | 0.035 | 0.023 | 57.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 518 | ASN | 0 | -0.056 | -0.039 | 60.472 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 519 | ARG | 1 | 0.891 | 0.951 | 56.400 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 520 | GLN | 0 | -0.006 | 0.011 | 52.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 521 | ILE | 0 | -0.052 | -0.007 | 55.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 522 | GLY | 0 | 0.009 | -0.009 | 57.978 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 523 | ILE | 0 | -0.029 | -0.016 | 59.237 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 524 | HIS | 0 | -0.017 | -0.003 | 63.024 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 525 | PRO | 0 | 0.047 | 0.009 | 64.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 526 | LYS | 1 | 0.882 | 0.928 | 65.419 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 527 | ALA | 0 | 0.024 | 0.024 | 66.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 528 | LEU | 0 | -0.064 | -0.028 | 60.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 529 | LEU | 0 | 0.004 | -0.019 | 64.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 530 | GLU | -1 | -0.868 | -0.899 | 66.554 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 531 | PHE | 0 | 0.036 | 0.037 | 62.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 532 | ASP | -1 | -0.869 | -0.957 | 66.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 533 | LYS | 1 | 0.760 | 0.884 | 68.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 534 | GLN | 0 | 0.026 | 0.034 | 67.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 535 | ASP | -1 | -0.862 | -0.922 | 69.742 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 536 | ASP | -1 | -0.904 | -0.960 | 67.261 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 537 | GLU | -1 | -0.974 | -0.981 | 65.888 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 538 | LEU | 0 | -0.018 | -0.020 | 64.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 539 | LYS | 1 | 0.844 | 0.914 | 64.127 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 540 | ALA | 0 | 0.017 | 0.008 | 61.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 541 | GLU | -1 | -0.812 | -0.886 | 60.105 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 542 | ILE | 0 | -0.011 | -0.015 | 59.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 543 | THR | 0 | -0.032 | -0.018 | 57.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 544 | ARG | 1 | 0.923 | 0.960 | 55.641 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 545 | ARG | 1 | 0.858 | 0.912 | 54.519 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 546 | ILE | 0 | -0.069 | -0.013 | 54.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 547 | ALA | 0 | 0.034 | 0.023 | 51.070 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 548 | GLY | 0 | -0.003 | -0.011 | 48.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 549 | TYR | 0 | -0.085 | -0.080 | 49.489 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 550 | ALA | 0 | -0.014 | 0.003 | 52.300 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 551 | SER | 0 | -0.017 | -0.038 | 54.110 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 552 | PRO | 0 | 0.062 | 0.020 | 57.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 553 | VAL | 0 | 0.022 | 0.006 | 59.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 554 | ASP | -1 | -0.864 | -0.924 | 55.397 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 555 | PHE | 0 | 0.015 | 0.032 | 53.715 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 556 | TYR | 0 | 0.040 | 0.014 | 55.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 557 | VAL | 0 | -0.036 | -0.026 | 56.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 558 | ASP | -1 | -0.807 | -0.886 | 52.093 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 559 | LYS | 1 | 0.888 | 0.946 | 49.404 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 560 | ILE | 0 | 0.015 | 0.009 | 54.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 561 | ALA | 0 | -0.032 | -0.023 | 53.090 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 562 | GLU | -1 | -0.735 | -0.818 | 48.876 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 563 | GLY | 0 | 0.007 | 0.009 | 50.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 564 | VAL | 0 | -0.008 | -0.024 | 52.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 565 | ALA | 0 | 0.005 | -0.008 | 49.629 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 566 | THR | 0 | 0.000 | 0.000 | 47.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 567 | LEU | 0 | 0.005 | -0.001 | 49.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 568 | ALA | 0 | -0.015 | 0.013 | 51.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 569 | ALA | 0 | 0.029 | 0.008 | 46.499 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 570 | SER | 0 | -0.065 | -0.036 | 47.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 571 | VAL | 0 | 0.012 | 0.009 | 48.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 572 | TYR | 0 | -0.024 | 0.055 | 47.123 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 573 | PRO | 0 | -0.042 | -0.040 | 48.059 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 574 | ARG | 1 | 0.864 | 0.905 | 49.191 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 575 | LYS | 1 | 0.873 | 0.928 | 53.540 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 576 | THR | 0 | 0.037 | 0.016 | 54.753 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 577 | ILE | 0 | -0.069 | -0.023 | 57.135 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 578 | VAL | 0 | 0.016 | 0.004 | 57.909 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 579 | ARG | 1 | 0.783 | 0.895 | 60.742 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 580 | MET | 0 | -0.020 | -0.003 | 63.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 581 | SER | 0 | -0.047 | -0.050 | 64.498 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 582 | ASP | -1 | -0.857 | -0.905 | 65.888 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 583 | PHE | 0 | -0.047 | -0.014 | 63.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 584 | LYS | 1 | 0.887 | 0.929 | 69.236 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 585 | SER | 0 | 0.017 | -0.028 | 71.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 586 | ASN | 0 | 0.014 | -0.008 | 73.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 587 | GLU | -1 | -0.836 | -0.898 | 68.169 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 588 | TYR | 0 | 0.003 | -0.001 | 67.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 589 | ALA | 0 | -0.028 | -0.015 | 69.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 590 | ASN | 0 | -0.038 | -0.018 | 67.741 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 591 | LEU | 0 | -0.032 | 0.014 | 63.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 592 | VAL | 0 | -0.004 | -0.010 | 62.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 593 | GLY | 0 | 0.041 | -0.005 | 65.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 594 | GLY | 0 | -0.001 | 0.008 | 68.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 595 | ASN | 0 | 0.013 | -0.011 | 70.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 596 | VAL | 0 | -0.022 | 0.001 | 72.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 597 | TYR | 0 | -0.058 | -0.057 | 70.266 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 598 | GLU | -1 | -0.775 | -0.849 | 72.156 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 599 | PRO | 0 | 0.000 | 0.002 | 75.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 600 | HIS | 0 | -0.030 | -0.013 | 78.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 601 | GLU | -1 | -0.800 | -0.875 | 78.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 602 | GLU | -1 | -0.869 | -0.938 | 81.100 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 603 | ASN | 0 | -0.063 | -0.037 | 81.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 604 | PRO | 0 | 0.070 | 0.024 | 76.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 605 | MET | 0 | -0.032 | -0.001 | 76.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 606 | LEU | 0 | -0.029 | -0.018 | 77.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 607 | GLY | 0 | 0.026 | 0.034 | 78.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 608 | PHE | 0 | -0.035 | -0.012 | 75.109 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 609 | ARG | 1 | 0.865 | 0.916 | 72.003 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 610 | GLY | 0 | 0.044 | 0.025 | 71.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 611 | ALA | 0 | 0.046 | 0.023 | 72.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 612 | ALA | 0 | -0.017 | -0.013 | 74.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 613 | ARG | 1 | 0.759 | 0.846 | 71.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 614 | TYR | 0 | -0.058 | -0.049 | 68.368 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 615 | VAL | 0 | -0.013 | -0.011 | 72.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 616 | ALA | 0 | -0.026 | 0.015 | 75.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 617 | ASP | -1 | -0.886 | -0.956 | 75.348 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 618 | ASN | 0 | 0.002 | -0.007 | 75.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 619 | PHE | 0 | -0.040 | -0.047 | 71.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 620 | LYS | 1 | 0.901 | 0.972 | 71.002 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 621 | ASP | -1 | -0.856 | -0.930 | 68.839 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 622 | CYS | 0 | -0.038 | -0.011 | 66.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 623 | PHE | 0 | 0.033 | 0.014 | 65.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 624 | ALA | 0 | 0.045 | 0.027 | 65.764 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 625 | LEU | 0 | -0.030 | -0.012 | 61.885 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 626 | GLU | -1 | -0.778 | -0.872 | 61.208 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 627 | CYS | 0 | -0.048 | -0.024 | 61.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 628 | LYS | 1 | 0.918 | 0.972 | 57.809 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 629 | ALA | 0 | -0.005 | 0.001 | 57.056 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 630 | LEU | 0 | 0.040 | 0.011 | 56.625 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 631 | LYS | 1 | 0.807 | 0.888 | 57.706 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 632 | ARG | 1 | 0.854 | 0.920 | 52.190 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 633 | VAL | 0 | 0.025 | 0.010 | 52.865 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 634 | ARG | 1 | 0.797 | 0.904 | 53.058 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 635 | ASP | -1 | -0.840 | -0.905 | 54.533 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 636 | GLU | -1 | -0.908 | -0.960 | 51.605 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 637 | MET | 0 | 0.002 | 0.005 | 49.009 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 638 | GLY | 0 | -0.035 | -0.011 | 49.140 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 639 | LEU | 0 | -0.008 | 0.017 | 48.335 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 640 | THR | 0 | -0.010 | -0.024 | 52.083 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 641 | ASN | 0 | -0.055 | -0.034 | 52.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 642 | VAL | 0 | 0.030 | 0.020 | 54.919 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 643 | GLU | -1 | -0.768 | -0.844 | 57.399 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 644 | ILE | 0 | 0.013 | 0.015 | 61.150 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 645 | MET | 0 | -0.022 | -0.021 | 63.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 646 | ILE | 0 | -0.015 | -0.012 | 66.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 647 | PRO | 0 | 0.027 | 0.017 | 68.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 648 | PHE | 0 | -0.037 | -0.041 | 70.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 649 | VAL | 0 | -0.003 | 0.016 | 73.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 650 | ARG | 1 | 0.862 | 0.929 | 76.264 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 651 | THR | 0 | -0.017 | -0.013 | 79.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 652 | LEU | 0 | 0.049 | 0.008 | 80.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 653 | GLY | 0 | 0.029 | 0.023 | 80.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 654 | GLU | -1 | -0.819 | -0.918 | 77.547 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 655 | ALA | 0 | 0.027 | 0.005 | 75.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 656 | GLU | -1 | -0.924 | -0.936 | 75.532 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 657 | ALA | 0 | 0.013 | 0.003 | 76.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 658 | VAL | 0 | 0.039 | 0.018 | 71.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 659 | VAL | 0 | -0.033 | -0.014 | 71.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 660 | LYS | 1 | 0.911 | 0.961 | 71.953 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 661 | ALA | 0 | 0.036 | 0.025 | 71.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 662 | LEU | 0 | -0.005 | 0.000 | 66.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 663 | LYS | 1 | 0.865 | 0.925 | 67.606 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 664 | GLU | -1 | -0.948 | -0.980 | 68.781 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 665 | ASN | 0 | -0.058 | -0.030 | 65.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 666 | GLY | 0 | -0.020 | -0.010 | 64.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 667 | LEU | 0 | -0.025 | -0.009 | 61.398 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 668 | GLU | -1 | -0.800 | -0.898 | 65.039 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 669 | ARG | 1 | 0.881 | 0.936 | 65.757 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 670 | GLY | 0 | -0.006 | 0.009 | 65.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 671 | LYS | 1 | 0.809 | 0.914 | 62.887 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 672 | ASN | 0 | -0.044 | -0.044 | 56.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 673 | GLY | 0 | 0.032 | 0.016 | 59.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 674 | LEU | 0 | -0.052 | -0.002 | 61.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 675 | ARG | 1 | 0.853 | 0.894 | 62.260 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 676 | LEU | 0 | -0.015 | -0.007 | 64.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 677 | ILE | 0 | -0.012 | 0.000 | 65.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 678 | MET | 0 | -0.017 | 0.019 | 68.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 679 | MET | 0 | -0.029 | -0.018 | 69.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 680 | CYS | 0 | -0.058 | -0.026 | 70.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 681 | GLU | -1 | -0.769 | -0.914 | 72.623 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 682 | LEU | 0 | 0.046 | 0.039 | 75.450 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 683 | PRO | 0 | 0.032 | -0.009 | 79.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 684 | SER | 0 | -0.017 | -0.012 | 81.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 685 | ASN | 0 | 0.005 | -0.007 | 77.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 686 | ALA | 0 | 0.048 | 0.029 | 79.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 687 | VAL | 0 | -0.026 | -0.022 | 80.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 688 | LEU | 0 | -0.072 | -0.022 | 82.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 689 | ALA | 0 | 0.065 | 0.046 | 78.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 690 | GLU | -1 | -0.795 | -0.900 | 78.886 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 691 | GLN | 0 | 0.015 | -0.001 | 80.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 692 | PHE | 0 | 0.026 | -0.004 | 77.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 693 | LEU | 0 | -0.005 | 0.012 | 73.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 694 | GLN | 0 | -0.077 | -0.039 | 75.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 695 | TYR | 0 | -0.068 | -0.049 | 74.935 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 696 | PHE | 0 | -0.014 | -0.010 | 70.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 697 | ASP | -1 | -0.813 | -0.899 | 67.489 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 698 | GLY | 0 | 0.002 | -0.015 | 69.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 699 | PHE | 0 | -0.027 | -0.019 | 70.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 700 | SER | 0 | 0.032 | 0.011 | 65.862 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 701 | ILE | 0 | -0.003 | -0.010 | 69.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 702 | GLY | 0 | 0.051 | 0.027 | 70.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 703 | SER | 0 | -0.026 | -0.044 | 71.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 704 | ASN | 0 | 0.029 | 0.028 | 71.582 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 705 | ASP | -1 | -0.784 | -0.898 | 73.618 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 706 | MET | 0 | 0.020 | 0.040 | 75.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 707 | THR | 0 | -0.017 | -0.024 | 76.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 708 | GLN | 0 | 0.016 | 0.009 | 75.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 709 | LEU | 0 | -0.007 | 0.002 | 78.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 710 | THR | 0 | -0.101 | -0.062 | 81.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 711 | LEU | 0 | -0.049 | -0.035 | 81.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 712 | GLY | 0 | -0.017 | 0.018 | 83.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 713 | LEU | 0 | -0.070 | -0.040 | 81.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 714 | ASP | -1 | -0.835 | -0.923 | 77.897 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 715 | ARG | 1 | 0.873 | 0.905 | 72.155 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 716 | ASP | -1 | -0.903 | -0.950 | 73.626 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 717 | SER | 0 | -0.072 | -0.027 | 76.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 718 | GLY | 0 | 0.028 | 0.000 | 79.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 719 | LEU | 0 | -0.073 | -0.031 | 80.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 720 | VAL | 0 | 0.017 | -0.008 | 82.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 721 | SER | 0 | -0.010 | 0.015 | 78.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 722 | GLU | -1 | -0.950 | -0.962 | 79.642 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 723 | SER | 0 | -0.044 | -0.022 | 81.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 724 | PHE | 0 | -0.065 | -0.033 | 74.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 725 | ASP | -1 | -0.786 | -0.891 | 77.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 726 | GLU | -1 | -0.865 | -0.915 | 72.463 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 727 | ARG | 1 | 0.791 | 0.881 | 75.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 728 | ASN | 0 | 0.049 | 0.025 | 78.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 729 | PRO | 0 | 0.026 | 0.001 | 81.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 730 | ALA | 0 | 0.008 | 0.008 | 84.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 731 | VAL | 0 | 0.013 | 0.010 | 77.928 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 732 | LYS | 1 | 0.885 | 0.956 | 78.200 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 733 | VAL | 0 | 0.000 | 0.003 | 80.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 734 | MET | 0 | -0.022 | -0.005 | 80.349 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 735 | LEU | 0 | -0.021 | -0.011 | 74.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 736 | HIS | 0 | -0.014 | -0.016 | 77.400 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 737 | LEU | 0 | -0.051 | -0.020 | 79.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 738 | ALA | 0 | 0.031 | 0.007 | 76.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 739 | ILE | 0 | -0.002 | 0.004 | 73.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 740 | SER | 0 | 0.014 | 0.000 | 75.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 741 | ALA | 0 | -0.018 | -0.002 | 78.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 742 | CYS | 0 | -0.058 | -0.027 | 72.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 743 | ARG | 1 | 0.877 | 0.949 | 70.801 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 744 | LYS | 1 | 0.774 | 0.880 | 75.064 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 745 | GLN | 0 | -0.065 | -0.028 | 75.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 746 | ASN | 0 | -0.074 | -0.036 | 71.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 747 | LYS | 1 | 0.849 | 0.927 | 70.327 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 748 | TYR | 0 | 0.008 | 0.011 | 64.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 749 | VAL | 0 | 0.039 | 0.011 | 68.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 750 | GLY | 0 | 0.031 | 0.036 | 66.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 751 | ILE | 0 | -0.019 | 0.001 | 67.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 752 | CYS | 0 | -0.027 | -0.013 | 65.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 753 | GLY | 0 | 0.060 | 0.031 | 66.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 754 | GLN | 0 | 0.046 | 0.008 | 63.266 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 755 | GLY | 0 | 0.061 | 0.051 | 67.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 756 | PRO | 0 | -0.035 | -0.037 | 67.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 757 | SER | 0 | -0.006 | 0.002 | 64.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 758 | ASP | -1 | -0.893 | -0.957 | 66.566 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 759 | HIS | 0 | -0.033 | -0.020 | 69.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 760 | PRO | 0 | 0.090 | 0.044 | 68.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 761 | ASP | -1 | -0.843 | -0.931 | 70.768 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 762 | PHE | 0 | -0.096 | -0.041 | 72.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 763 | ALA | 0 | 0.026 | 0.007 | 68.550 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 764 | LYS | 1 | 0.804 | 0.925 | 70.636 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 765 | TRP | 0 | 0.055 | 0.014 | 72.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 766 | LEU | 0 | 0.012 | 0.007 | 70.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 767 | VAL | 0 | -0.036 | -0.020 | 68.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 768 | GLU | -1 | -0.953 | -0.975 | 71.428 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 769 | GLU | -1 | -0.860 | -0.917 | 74.945 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 770 | GLY | 0 | -0.005 | -0.007 | 72.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 771 | ILE | 0 | -0.026 | -0.005 | 68.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 772 | GLU | -1 | -0.854 | -0.917 | 64.642 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 773 | SER | 0 | -0.054 | -0.042 | 63.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 716 | A | 774 | VAL | 0 | 0.068 | 0.027 | 63.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 717 | A | 775 | SER | 0 | -0.041 | -0.012 | 61.953 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 718 | A | 776 | LEU | 0 | -0.019 | -0.001 | 60.806 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 719 | A | 777 | ASN | 0 | 0.045 | 0.020 | 59.631 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 720 | A | 778 | PRO | 0 | 0.038 | 0.013 | 54.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 721 | A | 779 | ASP | -1 | -0.907 | -0.958 | 56.242 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 722 | A | 780 | THR | 0 | 0.028 | 0.030 | 57.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 723 | A | 781 | VAL | 0 | -0.051 | -0.010 | 56.167 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 724 | A | 782 | ILE | 0 | 0.022 | -0.001 | 53.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 725 | A | 783 | GLU | -1 | -0.834 | -0.923 | 57.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 726 | A | 784 | THR | 0 | 0.010 | -0.009 | 60.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 727 | A | 785 | TRP | 0 | -0.048 | -0.020 | 56.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 728 | A | 786 | LEU | 0 | -0.035 | -0.023 | 57.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 729 | A | 787 | TYR | 0 | -0.062 | -0.048 | 61.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 730 | A | 788 | LEU | 0 | 0.011 | -0.011 | 64.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 731 | A | 789 | ALA | 0 | -0.053 | -0.031 | 61.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 732 | A | 790 | ASN | 0 | -0.063 | -0.027 | 63.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 733 | A | 791 | GLU | -1 | -0.827 | -0.895 | 65.157 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 734 | A | 792 | LEU | 0 | -0.086 | -0.024 | 64.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |