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: Y9682
Calculation Name: 5GVB-A-Xray540
Preferred Name: WD repeat and HMG-box DNA-binding protein 1
Target Type: SINGLE PROTEIN
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 5GVB
Chain ID: A
ChEMBL ID: CHEMBL4295681
UniProt ID: O75717
Base Structure: X-ray
Registration Date: 2025-07-11
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 | OptH |
| 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 | 759 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -6736843.433813 |
|---|---|
| FMO2-HF: Nuclear repulsion | 6576513.413077 |
| FMO2-HF: Total energy | -160330.020736 |
| FMO2-MP2: Total energy | -160789.090967 |
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:424:PRO)
Summations of interaction energy for
fragment #1(A:424:PRO)
| 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. |
| -1.622 | 3.786 | 1.629 | -2.765 | -4.272 | -0.005 |
Interaction energy analysis for fragmet #1(A:424:PRO)
| 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 | 425 | MET | 0 | -0.033 | 0.129 | 3.672 | 0.107 | 0.664 | 0.004 | -0.171 | -0.389 | 0.000 |
| 4 | A | 426 | PRO | 0 | -0.020 | -0.111 | 3.874 | -0.366 | 1.689 | -0.018 | -1.010 | -1.026 | 0.004 |
| 5 | A | 427 | THR | 0 | 0.049 | 0.000 | 6.478 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 427 | THR | 0 | -0.093 | 0.078 | 7.560 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 428 | PRO | 0 | -0.007 | -0.099 | 8.637 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 429 | ARG | 0 | 0.160 | 0.021 | 12.287 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 429 | ARG | 1 | 0.837 | 1.075 | 12.193 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 430 | GLN | 0 | 0.106 | -0.094 | 14.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 430 | GLN | 0 | -0.133 | 0.081 | 16.383 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 431 | LYS | 0 | 0.036 | -0.095 | 16.972 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 431 | LYS | 1 | 0.874 | 1.064 | 20.473 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 432 | PRO | 0 | 0.064 | -0.074 | 20.413 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 433 | PHE | 0 | 0.070 | 0.021 | 23.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 433 | PHE | 0 | -0.124 | 0.057 | 22.020 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 434 | GLN | 0 | 0.151 | -0.116 | 25.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 434 | GLN | 0 | -0.065 | 0.165 | 30.209 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 435 | SER | 0 | 0.001 | -0.121 | 28.245 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 435 | SER | 0 | -0.023 | 0.102 | 27.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 436 | GLY | 0 | 0.082 | -0.051 | 29.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 437 | SER | 0 | 0.004 | -0.019 | 30.049 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 437 | SER | 0 | -0.025 | 0.083 | 29.288 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 438 | THR | 0 | -0.048 | -0.112 | 29.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 438 | THR | 0 | -0.027 | 0.108 | 31.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 439 | PRO | 0 | -0.027 | -0.118 | 26.858 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 440 | LEU | 0 | 0.063 | -0.034 | 29.048 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 440 | LEU | 0 | -0.031 | 0.136 | 28.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 441 | HIS | 0 | 0.123 | -0.034 | 29.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 441 | HIS | 0 | -0.085 | 0.059 | 27.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 442 | LEU | 0 | 0.015 | -0.101 | 31.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 442 | LEU | 0 | -0.115 | 0.060 | 31.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 443 | THR | 0 | 0.127 | -0.034 | 33.672 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 443 | THR | 0 | -0.042 | 0.092 | 37.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 444 | HIS | 0 | 0.207 | -0.005 | 37.320 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 444 | HIS | 0 | -0.091 | 0.088 | 39.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 445 | ARG | 0 | 0.128 | -0.006 | 34.681 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 445 | ARG | 1 | 0.799 | 1.025 | 31.119 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 446 | PHE | 0 | 0.108 | -0.108 | 34.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 446 | PHE | 0 | -0.114 | 0.091 | 34.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 447 | MET | 0 | 0.082 | -0.129 | 33.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 447 | MET | 0 | -0.081 | 0.137 | 35.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 448 | VAL | 0 | 0.047 | -0.123 | 33.687 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 448 | VAL | 0 | -0.062 | 0.148 | 33.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 449 | TRP | 0 | 0.146 | -0.062 | 34.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 449 | TRP | 0 | -0.116 | 0.069 | 35.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 450 | ASN | 0 | 0.039 | -0.074 | 34.996 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 450 | ASN | 0 | -0.053 | 0.078 | 35.746 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 451 | SER | 0 | 0.055 | -0.076 | 36.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 451 | SER | 0 | -0.050 | 0.056 | 38.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 452 | ILE | 0 | 0.031 | -0.111 | 39.626 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 452 | ILE | 0 | -0.092 | 0.127 | 40.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 453 | GLY | 0 | 0.084 | -0.102 | 40.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 454 | ILE | 0 | 0.034 | 0.000 | 39.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 454 | ILE | 0 | -0.130 | 0.059 | 38.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 455 | ILE | 0 | 0.121 | -0.097 | 38.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 455 | ILE | 0 | -0.064 | 0.139 | 38.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 456 | ARG | 0 | 0.007 | -0.127 | 38.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 456 | ARG | 1 | 0.836 | 1.052 | 39.089 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 457 | CYS | 0 | 0.192 | -0.076 | 38.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 457 | CYS | 0 | -0.140 | 0.076 | 37.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 458 | TYR | 0 | 0.114 | -0.073 | 39.070 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 458 | TYR | 0 | -0.169 | 0.071 | 42.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 459 | ASN | 0 | 0.217 | -0.052 | 38.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 459 | ASN | 0 | -0.153 | 0.052 | 36.906 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 460 | ASP | 0 | 0.008 | -0.120 | 39.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 460 | ASP | -1 | -0.910 | -0.840 | 42.247 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 461 | GLU | 0 | 0.087 | -0.139 | 41.755 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 461 | GLU | -1 | -1.049 | -0.874 | 41.651 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 462 | GLN | 0 | 0.040 | -0.052 | 43.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 462 | GLN | 0 | -0.148 | 0.065 | 46.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 463 | ASP | 0 | 0.042 | -0.098 | 45.940 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 463 | ASP | -1 | -0.995 | -0.886 | 47.004 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 464 | ASN | 0 | 0.177 | -0.079 | 43.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 464 | ASN | 0 | -0.148 | 0.081 | 40.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 465 | ALA | 0 | 0.087 | -0.080 | 43.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 465 | ALA | 0 | -0.071 | 0.112 | 45.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 466 | ILE | 0 | 0.036 | -0.116 | 42.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 466 | ILE | 0 | -0.084 | 0.082 | 40.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 467 | ASP | 0 | 0.071 | -0.080 | 42.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 467 | ASP | -1 | -0.937 | -0.810 | 44.911 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 468 | VAL | 0 | 0.046 | -0.135 | 42.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 468 | VAL | 0 | -0.078 | 0.108 | 42.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 469 | GLU | 0 | 0.121 | -0.108 | 43.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 469 | GLU | -1 | -1.022 | -0.859 | 44.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 470 | PHE | 0 | 0.068 | -0.116 | 44.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 470 | PHE | 0 | -0.077 | 0.127 | 45.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 471 | HIS | 0 | 0.131 | -0.062 | 44.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 471 | HIS | 0 | -0.190 | 0.033 | 40.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 472 | ASP | 0 | 0.116 | -0.103 | 45.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 472 | ASP | -1 | -0.925 | -0.769 | 48.178 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 473 | THR | 0 | 0.017 | -0.090 | 48.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 473 | THR | 0 | -0.060 | 0.046 | 50.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 474 | SER | 0 | 0.008 | -0.098 | 51.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 474 | SER | 0 | -0.085 | 0.025 | 52.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 475 | ILE | 0 | 0.073 | -0.078 | 48.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 475 | ILE | 0 | -0.108 | 0.091 | 46.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 476 | HIS | 0 | 0.067 | -0.108 | 49.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 476 | HIS | 0 | -0.072 | 0.084 | 48.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 477 | HIS | 0 | 0.038 | -0.073 | 50.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 477 | HIS | 0 | -0.070 | 0.084 | 52.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 478 | ALA | 0 | 0.141 | -0.095 | 48.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 478 | ALA | 0 | -0.098 | 0.102 | 49.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 479 | THR | 0 | -0.046 | -0.100 | 47.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 479 | THR | 0 | -0.048 | 0.061 | 47.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 480 | HIS | 0 | 0.112 | -0.103 | 47.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 480 | HIS | 0 | -0.123 | 0.070 | 47.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 481 | LEU | 0 | 0.028 | -0.123 | 46.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 481 | LEU | 0 | -0.084 | 0.095 | 44.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 482 | SER | 0 | 0.100 | -0.056 | 46.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 482 | SER | 0 | -0.036 | 0.087 | 48.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 483 | ASN | 0 | 0.171 | -0.081 | 43.025 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 483 | ASN | 0 | -0.156 | 0.059 | 39.784 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 484 | THR | 0 | 0.008 | -0.087 | 44.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 484 | THR | 0 | -0.034 | 0.066 | 46.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 485 | LEU | 0 | 0.018 | -0.138 | 42.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 485 | LEU | 0 | -0.039 | 0.125 | 41.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 486 | ASN | 0 | 0.064 | -0.065 | 38.771 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 486 | ASN | 0 | -0.084 | 0.079 | 37.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 487 | TYR | 0 | 0.070 | -0.106 | 37.087 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 487 | TYR | 0 | -0.057 | 0.115 | 38.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 488 | THR | 0 | 0.023 | -0.080 | 33.381 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 488 | THR | 0 | -0.037 | 0.071 | 32.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 489 | ILE | 0 | 0.050 | -0.124 | 32.781 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 489 | ILE | 0 | -0.060 | 0.120 | 30.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 490 | ALA | 0 | 0.088 | -0.118 | 33.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 490 | ALA | 0 | -0.028 | 0.090 | 36.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 491 | ASP | 0 | 0.016 | -0.134 | 34.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 491 | ASP | -1 | -0.879 | -0.791 | 34.879 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 492 | LEU | 0 | 0.113 | -0.118 | 36.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 492 | LEU | 0 | -0.159 | 0.100 | 39.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 493 | SER | 0 | 0.032 | -0.061 | 39.032 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 493 | SER | 0 | 0.021 | 0.068 | 40.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 494 | HIS | 0 | 0.054 | -0.094 | 41.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 494 | HIS | 0 | -0.043 | 0.094 | 42.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 495 | GLU | 0 | 0.040 | -0.117 | 44.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 495 | GLU | -1 | -0.879 | -0.812 | 44.077 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 496 | ALA | 0 | 0.097 | -0.095 | 43.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 496 | ALA | 0 | -0.030 | 0.104 | 42.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 497 | ILE | 0 | 0.060 | -0.109 | 41.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 497 | ILE | 0 | -0.105 | 0.097 | 41.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 498 | LEU | 0 | 0.148 | -0.080 | 38.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 498 | LEU | 0 | -0.125 | 0.100 | 36.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 499 | LEU | 0 | 0.061 | -0.116 | 37.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 499 | LEU | 0 | -0.080 | 0.103 | 38.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 500 | ALA | 0 | 0.151 | -0.060 | 35.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 500 | ALA | 0 | -0.069 | 0.095 | 34.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 501 | CYS | 0 | -0.002 | -0.137 | 35.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 501 | CYS | 0 | -0.060 | 0.109 | 37.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 502 | GLU | 0 | 0.129 | -0.057 | 32.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 502 | GLU | -1 | -0.991 | -0.841 | 29.287 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 503 | SER | 0 | 0.003 | -0.112 | 33.905 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 503 | SER | 0 | -0.044 | 0.057 | 33.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 504 | THR | 0 | -0.009 | -0.031 | 35.013 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 504 | THR | 0 | -0.093 | -0.002 | 37.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 505 | ASP | 0 | 0.155 | -0.102 | 37.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 505 | ASP | -1 | -1.019 | -0.849 | 37.030 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 506 | GLU | 0 | 0.028 | -0.101 | 39.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 506 | GLU | -1 | -1.042 | -0.891 | 42.567 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 507 | LEU | 0 | 0.021 | -0.119 | 40.625 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 507 | LEU | 0 | -0.112 | 0.070 | 40.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 508 | ALA | 0 | 0.172 | -0.066 | 38.445 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 508 | ALA | 0 | -0.076 | 0.115 | 38.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 509 | SER | 0 | 0.051 | -0.077 | 35.284 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 509 | SER | 0 | -0.103 | 0.041 | 34.664 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 510 | LYS | 0 | 0.018 | -0.119 | 36.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 510 | LYS | 1 | 0.877 | 1.075 | 40.028 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 511 | LEU | 0 | 0.144 | -0.100 | 37.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 511 | LEU | 0 | -0.146 | 0.094 | 36.551 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 512 | HIS | 0 | 0.089 | -0.081 | 39.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 512 | HIS | 0 | -0.095 | 0.071 | 41.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 513 | CYS | 0 | 0.099 | -0.104 | 41.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 513 | CYS | 0 | -0.132 | 0.088 | 42.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 514 | LEU | 0 | 0.035 | -0.085 | 43.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 514 | LEU | 0 | -0.083 | 0.073 | 44.589 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 515 | HIS | 0 | 0.180 | -0.054 | 46.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 515 | HIS | 0 | -0.071 | 0.093 | 46.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 516 | PHE | 0 | 0.078 | -0.115 | 47.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 516 | PHE | 0 | -0.102 | 0.068 | 45.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 517 | SER | 0 | 0.002 | -0.079 | 49.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 517 | SER | 0 | -0.060 | 0.074 | 48.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 518 | SER | 0 | -0.019 | -0.115 | 50.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 518 | SER | 0 | -0.011 | 0.101 | 51.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 519 | TRP | 0 | 0.067 | -0.068 | 52.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 519 | TRP | 0 | -0.103 | 0.059 | 54.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 520 | ASP | 0 | -0.019 | -0.136 | 55.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 520 | ASP | -1 | -0.925 | -0.839 | 54.197 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 521 | SER | 0 | 0.079 | -0.029 | 56.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 521 | SER | 0 | -0.088 | 0.024 | 58.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 522 | SER | 0 | 0.041 | -0.099 | 54.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 522 | SER | 0 | -0.061 | 0.078 | 53.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 523 | LYS | 0 | 0.149 | -0.050 | 51.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 523 | LYS | 1 | 0.818 | 1.083 | 48.589 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 524 | GLU | 0 | 0.050 | -0.141 | 48.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 524 | GLU | -1 | -1.006 | -0.854 | 47.646 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 525 | TRP | 0 | 0.027 | -0.089 | 46.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 525 | TRP | 0 | -0.122 | 0.061 | 40.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 526 | ILE | 0 | 0.124 | -0.122 | 43.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 526 | ILE | 0 | -0.099 | 0.098 | 42.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 527 | ILE | 0 | 0.008 | -0.095 | 42.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 527 | ILE | 0 | -0.099 | 0.082 | 40.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 528 | ASP | 0 | 0.120 | -0.117 | 40.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 528 | ASP | -1 | -0.969 | -0.837 | 41.338 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 529 | LEU | 0 | -0.012 | -0.150 | 36.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 529 | LEU | 0 | -0.090 | 0.125 | 34.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 530 | PRO | 0 | -0.024 | -0.130 | 36.550 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 531 | GLN | 0 | 0.195 | 0.032 | 36.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 531 | GLN | 0 | -0.099 | 0.104 | 37.586 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 532 | ASN | 0 | 0.071 | -0.063 | 33.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 532 | ASN | 0 | -0.147 | 0.037 | 32.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 533 | GLU | 0 | 0.118 | -0.085 | 31.944 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 533 | GLU | -1 | -0.888 | -0.767 | 31.754 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 534 | ASP | 0 | 0.077 | -0.167 | 30.989 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 534 | ASP | -1 | -0.841 | -0.728 | 29.988 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 535 | ILE | 0 | 0.124 | -0.111 | 30.303 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 535 | ILE | 0 | -0.124 | 0.090 | 31.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 536 | GLU | 0 | 0.105 | -0.102 | 27.090 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 536 | GLU | -1 | -1.038 | -0.863 | 25.258 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 537 | ALA | 0 | 0.083 | -0.122 | 27.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 537 | ALA | 0 | -0.101 | 0.084 | 27.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 538 | ILE | 0 | -0.011 | -0.123 | 29.211 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 538 | ILE | 0 | -0.024 | 0.119 | 32.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 539 | CYS | 0 | 0.062 | -0.088 | 31.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 539 | CYS | 0 | -0.159 | 0.074 | 31.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 540 | LEU | 0 | 0.091 | -0.105 | 33.914 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 540 | LEU | 0 | -0.055 | 0.139 | 37.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 541 | GLY | 0 | 0.009 | -0.101 | 36.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 542 | GLN | 0 | 0.068 | -0.008 | 38.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 542 | GLN | 0 | -0.169 | 0.082 | 41.786 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 543 | GLY | 0 | 0.028 | -0.115 | 41.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 544 | TRP | 0 | 0.009 | -0.020 | 40.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 544 | TRP | 0 | -0.116 | 0.054 | 34.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 545 | ALA | 0 | 0.121 | -0.098 | 37.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 545 | ALA | 0 | -0.045 | 0.111 | 38.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 546 | ALA | 0 | 0.049 | -0.107 | 34.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 546 | ALA | 0 | -0.070 | 0.083 | 33.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 547 | ALA | 0 | 0.093 | -0.099 | 32.690 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 547 | ALA | 0 | -0.062 | 0.118 | 33.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 548 | ALA | 0 | 0.080 | -0.092 | 28.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 548 | ALA | 0 | -0.081 | 0.075 | 27.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 549 | THR | 0 | -0.043 | -0.093 | 29.404 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 549 | THR | 0 | -0.066 | 0.020 | 30.697 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 550 | SER | 0 | 0.136 | -0.044 | 26.749 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 550 | SER | 0 | 0.014 | 0.130 | 27.610 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 551 | ALA | 0 | 0.044 | -0.103 | 26.917 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 551 | ALA | 0 | -0.068 | 0.103 | 30.335 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 552 | LEU | 0 | -0.031 | -0.131 | 25.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 552 | LEU | 0 | -0.090 | 0.105 | 22.475 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 553 | LEU | 0 | 0.073 | -0.126 | 26.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 553 | LEU | 0 | -0.068 | 0.120 | 30.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 554 | LEU | 0 | 0.164 | -0.094 | 30.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 554 | LEU | 0 | -0.110 | 0.109 | 29.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 555 | ARG | 0 | 0.059 | -0.113 | 31.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 555 | ARG | 1 | 0.781 | 1.014 | 33.638 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 556 | LEU | 0 | 0.102 | -0.094 | 35.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 556 | LEU | 0 | -0.124 | 0.096 | 35.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 557 | PHE | 0 | 0.052 | -0.102 | 37.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 557 | PHE | 0 | -0.017 | 0.122 | 36.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 558 | THR | 0 | 0.102 | -0.034 | 40.772 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 558 | THR | 0 | -0.072 | 0.046 | 44.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 559 | ILE | 0 | 0.036 | -0.127 | 43.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 559 | ILE | 0 | -0.047 | 0.156 | 42.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 560 | GLY | 0 | 0.017 | -0.084 | 44.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 561 | GLY | 0 | 0.025 | 0.020 | 44.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 562 | VAL | 0 | 0.074 | -0.028 | 45.650 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 562 | VAL | 0 | -0.135 | 0.081 | 45.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 563 | GLN | 0 | 0.089 | -0.104 | 41.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 563 | GLN | 0 | -0.064 | 0.112 | 41.514 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 564 | LYS | 0 | 0.048 | -0.072 | 40.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 564 | LYS | 1 | 0.776 | 1.007 | 40.446 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 565 | GLU | 0 | 0.090 | -0.116 | 38.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 565 | GLU | -1 | -0.944 | -0.849 | 37.822 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 566 | VAL | 0 | 0.090 | -0.105 | 35.381 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 566 | VAL | 0 | -0.071 | 0.114 | 34.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 567 | PHE | 0 | -0.004 | -0.103 | 32.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 567 | PHE | 0 | -0.114 | 0.070 | 29.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 568 | SER | 0 | 0.091 | -0.086 | 29.135 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 568 | SER | 0 | -0.026 | 0.096 | 28.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 569 | LEU | 0 | 0.057 | -0.125 | 25.741 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 569 | LEU | 0 | -0.096 | 0.123 | 24.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 570 | ALA | 0 | 0.116 | -0.118 | 22.716 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 570 | ALA | 0 | -0.101 | 0.116 | 21.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 571 | GLY | 0 | -0.057 | -0.121 | 19.939 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 572 | PRO | 0 | -0.001 | -0.010 | 18.672 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 573 | VAL | 0 | 0.112 | 0.012 | 20.531 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 573 | VAL | 0 | 0.005 | 0.143 | 24.565 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 574 | VAL | 0 | 0.021 | -0.105 | 20.788 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 574 | VAL | 0 | -0.143 | 0.070 | 18.704 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 575 | SER | 0 | 0.117 | -0.083 | 21.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 575 | SER | 0 | -0.043 | 0.075 | 24.388 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 576 | MET | 0 | 0.034 | -0.123 | 25.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 576 | MET | 0 | -0.081 | 0.117 | 27.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 577 | ALA | 0 | 0.092 | -0.070 | 28.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 577 | ALA | 0 | -0.077 | 0.089 | 30.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 578 | GLY | 0 | 0.020 | -0.103 | 31.005 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 579 | HIS | 0 | 0.108 | -0.001 | 34.336 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 579 | HIS | 0 | -0.097 | 0.084 | 35.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 580 | GLY | 0 | 0.041 | -0.062 | 36.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 581 | GLU | 0 | 0.092 | 0.000 | 39.041 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 581 | GLU | -1 | -0.975 | -0.832 | 39.690 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 582 | GLN | 0 | 0.051 | -0.117 | 34.993 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 582 | GLN | 0 | -0.038 | 0.103 | 33.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 583 | LEU | 0 | 0.165 | -0.086 | 32.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 583 | LEU | 0 | -0.121 | 0.117 | 30.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 584 | PHE | 0 | 0.102 | -0.108 | 28.951 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 584 | PHE | 0 | -0.154 | 0.070 | 25.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 585 | ILE | 0 | 0.111 | -0.106 | 26.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 585 | ILE | 0 | -0.071 | 0.122 | 24.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 586 | VAL | 0 | 0.089 | -0.095 | 22.436 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 586 | VAL | 0 | -0.068 | 0.110 | 20.469 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 587 | TYR | 0 | 0.100 | -0.084 | 20.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 587 | TYR | 0 | -0.102 | 0.102 | 19.850 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 588 | HIS | 0 | 0.085 | -0.100 | 16.432 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 588 | HIS | 0 | -0.119 | 0.093 | 15.521 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 589 | ARG | 0 | 0.115 | -0.102 | 15.924 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 589 | ARG | 1 | 0.860 | 1.075 | 13.584 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 590 | GLY | 0 | 0.020 | -0.091 | 12.888 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 591 | THR | 0 | -0.056 | -0.025 | 9.697 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 591 | THR | 0 | -0.025 | 0.095 | 7.755 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 592 | GLY | 0 | 0.061 | -0.065 | 7.832 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 593 | PHE | 0 | 0.082 | 0.005 | 3.363 | -0.227 | -0.380 | 0.023 | 0.233 | -0.103 | -0.001 |
| 322 | A | 593 | PHE | 0 | -0.069 | 0.094 | 2.280 | -1.237 | -0.014 | 1.539 | -1.000 | -1.761 | -0.002 |
| 323 | A | 594 | ASP | 0 | 0.063 | -0.088 | 4.170 | -0.041 | 0.172 | -0.001 | -0.028 | -0.185 | 0.000 |
| 324 | A | 594 | ASP | -1 | -0.936 | -0.834 | 3.267 | 1.629 | 3.102 | 0.083 | -0.780 | -0.777 | -0.006 |
| 325 | A | 595 | GLY | 0 | 0.018 | -0.110 | 4.734 | 0.148 | 0.188 | -0.001 | -0.009 | -0.031 | 0.000 |
| 326 | A | 596 | ASP | 0 | 0.081 | -0.013 | 7.661 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 596 | ASP | -1 | -0.861 | -0.743 | 8.016 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 597 | GLN | 0 | 0.075 | -0.107 | 9.176 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 597 | GLN | 0 | -0.022 | 0.125 | 13.140 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 598 | CYS | 0 | 0.158 | -0.088 | 11.472 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 598 | CYS | 0 | -0.217 | 0.071 | 10.739 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 599 | LEU | 0 | 0.095 | -0.144 | 12.650 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 599 | LEU | 0 | -0.043 | 0.155 | 15.314 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 600 | GLY | 0 | 0.004 | -0.101 | 16.441 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 601 | VAL | 0 | 0.076 | -0.003 | 19.272 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 601 | VAL | 0 | -0.088 | 0.110 | 21.978 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 602 | GLN | 0 | 0.102 | -0.105 | 22.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 602 | GLN | 0 | -0.118 | 0.082 | 25.364 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 603 | LEU | 0 | 0.090 | -0.101 | 26.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 603 | LEU | 0 | -0.142 | 0.087 | 28.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 604 | LEU | 0 | 0.003 | -0.146 | 29.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 604 | LEU | 0 | -0.021 | 0.132 | 30.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 605 | GLU | 0 | 0.109 | -0.087 | 32.529 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 605 | GLU | -1 | -0.931 | -0.805 | 35.004 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 606 | LEU | 0 | -0.030 | -0.174 | 36.196 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 606 | LEU | 0 | -0.035 | 0.146 | 35.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 607 | GLY | 0 | 0.164 | -0.033 | 38.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 608 | LYS | 0 | 0.026 | -0.050 | 41.951 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 608 | LYS | 1 | 0.942 | 1.112 | 45.835 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 609 | LYS | 0 | 0.101 | -0.112 | 42.386 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 609 | LYS | 1 | 0.732 | 1.028 | 39.012 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 610 | LYS | 0 | 0.093 | -0.117 | 38.718 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 610 | LYS | 1 | 0.829 | 1.092 | 37.680 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 611 | LYS | 0 | -0.012 | -0.104 | 36.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 611 | LYS | 1 | 0.868 | 1.051 | 35.785 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 612 | GLN | 0 | 0.209 | -0.060 | 31.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 612 | GLN | 0 | -0.085 | 0.133 | 28.238 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 613 | ILE | 0 | 0.063 | -0.102 | 31.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 613 | ILE | 0 | -0.112 | 0.089 | 30.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 614 | LEU | 0 | 0.088 | -0.128 | 27.010 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 614 | LEU | 0 | -0.121 | 0.119 | 25.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 615 | HIS | 0 | 0.087 | -0.095 | 26.328 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 615 | HIS | 0 | -0.099 | 0.090 | 26.407 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 616 | GLY | 0 | 0.048 | -0.088 | 22.606 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 617 | ASP | 0 | 0.105 | -0.026 | 21.088 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 617 | ASP | -1 | -1.001 | -0.822 | 22.462 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 618 | PRO | 0 | -0.060 | -0.136 | 17.004 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 619 | LEU | 0 | 0.144 | -0.029 | 17.956 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 619 | LEU | 0 | -0.118 | 0.137 | 18.412 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 620 | PRO | 0 | -0.073 | -0.126 | 17.143 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 621 | LEU | 0 | 0.057 | 0.005 | 16.232 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 621 | LEU | 0 | -0.003 | 0.146 | 15.099 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 622 | THR | 0 | 0.047 | -0.070 | 15.784 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 622 | THR | 0 | -0.071 | 0.018 | 16.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 623 | ARG | 0 | 0.098 | -0.020 | 12.109 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 623 | ARG | 1 | 0.797 | 1.004 | 7.662 | -0.678 | -0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 624 | LYS | 0 | 0.025 | -0.100 | 10.999 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 624 | LYS | 1 | 0.730 | 0.992 | 6.995 | -1.071 | -1.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 625 | SER | 0 | 0.031 | -0.071 | 11.729 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 625 | SER | 0 | -0.104 | -0.039 | 15.350 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 626 | TYR | 0 | 0.086 | -0.078 | 14.367 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 626 | TYR | 0 | -0.123 | 0.061 | 15.731 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 627 | LEU | 0 | 0.149 | -0.121 | 16.569 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 627 | LEU | 0 | -0.099 | 0.127 | 19.210 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 628 | ALA | 0 | 0.078 | -0.088 | 19.782 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 628 | ALA | 0 | -0.098 | 0.090 | 22.285 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 629 | TRP | 0 | 0.090 | -0.108 | 22.889 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 629 | TRP | 0 | -0.098 | 0.106 | 26.705 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 630 | ILE | 0 | 0.017 | -0.119 | 25.341 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 630 | ILE | 0 | -0.037 | 0.127 | 24.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 631 | GLY | 0 | 0.071 | -0.082 | 27.018 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 632 | PHE | 0 | 0.022 | -0.010 | 30.376 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 632 | PHE | 0 | -0.045 | 0.125 | 32.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 633 | SER | 0 | 0.033 | -0.059 | 33.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 633 | SER | 0 | -0.069 | 0.010 | 34.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 634 | ALA | 0 | 0.133 | -0.087 | 35.420 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 634 | ALA | 0 | -0.082 | 0.116 | 39.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 635 | GLU | 0 | -0.026 | -0.170 | 38.852 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 635 | GLU | -1 | -0.857 | -0.757 | 39.014 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 636 | GLY | 0 | 0.040 | -0.074 | 37.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 637 | THR | 0 | -0.030 | -0.064 | 34.144 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 637 | THR | 0 | -0.059 | 0.090 | 32.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 638 | PRO | 0 | -0.033 | -0.099 | 29.298 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 639 | CYS | 0 | 0.071 | -0.030 | 28.271 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 639 | CYS | 0 | -0.086 | 0.118 | 29.225 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 640 | TYR | 0 | 0.109 | -0.066 | 24.627 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 640 | TYR | 0 | -0.112 | 0.018 | 20.497 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 641 | VAL | 0 | 0.018 | -0.117 | 24.391 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 641 | VAL | 0 | -0.077 | 0.097 | 24.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 642 | ASP | 0 | 0.195 | -0.041 | 20.353 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 642 | ASP | -1 | -0.909 | -0.786 | 18.836 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 643 | SER | 0 | 0.022 | -0.090 | 19.198 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 643 | SER | 0 | 0.004 | 0.115 | 17.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 644 | GLU | 0 | -0.005 | -0.137 | 19.262 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 644 | GLU | -1 | -0.968 | -0.824 | 17.181 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 645 | GLY | 0 | -0.012 | -0.122 | 20.299 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 646 | ILE | 0 | 0.112 | 0.011 | 22.514 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 646 | ILE | 0 | -0.078 | 0.116 | 20.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 647 | VAL | 0 | 0.109 | -0.121 | 23.627 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 647 | VAL | 0 | -0.083 | 0.121 | 26.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 648 | ARG | 0 | 0.071 | -0.093 | 24.678 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 648 | ARG | 1 | 0.825 | 1.020 | 19.320 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 649 | MET | 0 | 0.131 | -0.077 | 26.015 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 649 | MET | 0 | -0.106 | 0.100 | 30.110 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 650 | LEU | 0 | 0.117 | -0.125 | 28.201 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 650 | LEU | 0 | -0.132 | 0.113 | 28.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 651 | ASN | 0 | 0.119 | -0.079 | 29.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 651 | ASN | 0 | -0.126 | 0.070 | 29.852 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 652 | ARG | 0 | 0.050 | -0.115 | 31.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 652 | ARG | 1 | 0.827 | 1.042 | 33.285 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 653 | GLY | 0 | -0.024 | -0.099 | 33.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 654 | LEU | 0 | 0.084 | -0.014 | 31.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 654 | LEU | 0 | -0.122 | 0.114 | 29.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 655 | GLY | 0 | 0.046 | -0.093 | 29.947 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 656 | ASN | 0 | 0.022 | 0.027 | 29.305 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 656 | ASN | 0 | -0.087 | 0.061 | 29.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 657 | THR | 0 | 0.125 | -0.036 | 25.885 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 657 | THR | 0 | -0.074 | 0.045 | 25.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 658 | TRP | 0 | 0.102 | -0.101 | 24.394 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 658 | TRP | 0 | -0.054 | 0.122 | 23.401 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 659 | THR | 0 | -0.015 | -0.127 | 24.845 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 659 | THR | 0 | 0.007 | 0.120 | 28.301 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 660 | PRO | 0 | -0.009 | -0.109 | 24.444 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 661 | ILE | 0 | 0.079 | -0.021 | 26.422 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 661 | ILE | 0 | -0.048 | 0.129 | 29.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 662 | CYS | 0 | 0.119 | -0.095 | 27.989 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 662 | CYS | 0 | -0.104 | 0.093 | 29.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 663 | ASN | 0 | 0.138 | -0.085 | 26.292 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 663 | ASN | 0 | -0.076 | 0.103 | 24.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 664 | THR | 0 | 0.078 | -0.081 | 27.078 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 664 | THR | 0 | -0.052 | 0.082 | 26.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 665 | ARG | 0 | 0.097 | -0.110 | 25.069 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 665 | ARG | 1 | 0.790 | 1.054 | 22.998 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 666 | GLU | 0 | 0.060 | -0.119 | 26.473 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 666 | GLU | -1 | -0.998 | -0.832 | 27.612 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 667 | HIS | 0 | -0.005 | -0.102 | 29.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 667 | HIS | 0 | -0.093 | 0.085 | 31.403 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 668 | CYS | 0 | 0.103 | -0.154 | 28.374 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 668 | CYS | 0 | -0.150 | 0.112 | 27.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 669 | LYS | 0 | 0.046 | -0.097 | 29.561 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 669 | LYS | 1 | 0.903 | 1.092 | 32.339 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 670 | GLY | 0 | 0.027 | -0.087 | 28.248 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 671 | LYS | 0 | 0.113 | 0.006 | 23.861 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 671 | LYS | 1 | 0.885 | 1.080 | 19.502 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 672 | SER | 0 | 0.013 | -0.111 | 24.322 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 672 | SER | 0 | 0.002 | 0.103 | 26.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 673 | ASP | 0 | 0.125 | -0.070 | 26.357 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 673 | ASP | -1 | -0.990 | -0.848 | 28.915 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 674 | HIS | 0 | -0.025 | -0.110 | 26.621 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 674 | HIS | 0 | -0.069 | 0.073 | 23.373 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 675 | TYR | 0 | 0.059 | -0.101 | 27.635 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 675 | TYR | 0 | -0.080 | 0.075 | 29.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 676 | TRP | 0 | 0.140 | -0.084 | 28.161 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 676 | TRP | 0 | -0.093 | 0.110 | 28.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 677 | VAL | 0 | 0.040 | -0.113 | 29.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 677 | VAL | 0 | -0.062 | 0.107 | 28.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 678 | VAL | 0 | 0.018 | -0.138 | 31.043 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 678 | VAL | 0 | -0.055 | 0.139 | 33.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 679 | GLY | 0 | 0.003 | -0.106 | 33.844 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 680 | ILE | 0 | 0.050 | -0.027 | 33.681 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 680 | ILE | 0 | -0.051 | 0.119 | 30.355 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 681 | HIS | 0 | 0.085 | -0.102 | 34.953 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 681 | HIS | 0 | -0.073 | 0.088 | 38.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 682 | GLU | 0 | 0.098 | -0.119 | 37.909 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 682 | GLU | -1 | -0.798 | -0.728 | 36.405 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 683 | ASN | 0 | 0.067 | -0.080 | 38.798 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 683 | ASN | 0 | -0.141 | 0.077 | 42.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 684 | PRO | 0 | 0.029 | -0.115 | 42.574 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 685 | GLN | 0 | 0.118 | 0.011 | 39.116 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 685 | GLN | 0 | -0.057 | 0.105 | 38.101 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 686 | GLN | 0 | 0.063 | -0.089 | 38.199 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 686 | GLN | 0 | -0.105 | 0.082 | 39.315 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 687 | LEU | 0 | 0.123 | -0.104 | 33.917 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 687 | LEU | 0 | -0.124 | 0.105 | 30.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 688 | ARG | 0 | 0.075 | -0.091 | 35.104 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 688 | ARG | 1 | 0.877 | 1.072 | 36.678 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 689 | CYS | 0 | 0.113 | -0.066 | 32.960 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 689 | CYS | 0 | -0.134 | 0.088 | 32.255 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 690 | ILE | 0 | 0.115 | -0.134 | 33.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 690 | ILE | 0 | -0.032 | 0.155 | 34.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 691 | PRO | 0 | -0.016 | -0.114 | 32.731 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 692 | CYS | 0 | 0.088 | -0.035 | 30.799 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 692 | CYS | 0 | -0.106 | 0.134 | 29.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 693 | LYS | 0 | 0.017 | -0.102 | 30.789 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 693 | LYS | 1 | 0.893 | 1.080 | 32.724 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 694 | GLY | 0 | 0.047 | -0.081 | 29.853 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 695 | SER | 0 | 0.087 | 0.067 | 26.858 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 695 | SER | 0 | -0.043 | 0.046 | 27.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 696 | ARG | 0 | 0.047 | -0.110 | 25.239 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 696 | ARG | 1 | 0.827 | 1.031 | 19.724 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 697 | PHE | 0 | 0.072 | -0.089 | 26.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 697 | PHE | 0 | -0.035 | 0.107 | 26.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 698 | PRO | 0 | -0.021 | -0.107 | 29.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 699 | PRO | 0 | 0.009 | -0.005 | 33.364 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 700 | THR | 0 | 0.062 | 0.022 | 35.382 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 700 | THR | 0 | -0.185 | -0.069 | 36.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 701 | LEU | 0 | 0.021 | -0.114 | 37.940 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 701 | LEU | 0 | -0.053 | 0.117 | 41.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 702 | PRO | 0 | 0.022 | -0.112 | 40.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 703 | ARG | 0 | 0.116 | -0.022 | 40.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 703 | ARG | 1 | 0.827 | 1.118 | 41.478 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 704 | PRO | 0 | 0.002 | -0.104 | 37.139 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 705 | ALA | 0 | 0.121 | -0.005 | 39.740 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 705 | ALA | 0 | -0.073 | 0.118 | 41.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 706 | VAL | 0 | 0.066 | -0.117 | 38.466 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 706 | VAL | 0 | -0.120 | 0.102 | 38.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 707 | ALA | 0 | 0.099 | -0.090 | 37.634 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 707 | ALA | 0 | -0.076 | 0.095 | 36.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 708 | ILE | 0 | 0.042 | -0.131 | 37.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 708 | ILE | 0 | -0.078 | 0.123 | 39.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 709 | LEU | 0 | 0.045 | -0.138 | 34.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 709 | LEU | 0 | -0.075 | 0.119 | 32.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 710 | SER | 0 | 0.028 | -0.091 | 36.011 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 710 | SER | 0 | -0.004 | 0.087 | 36.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 711 | PHE | 0 | 0.065 | -0.109 | 33.290 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 711 | PHE | 0 | -0.106 | 0.106 | 32.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 712 | LYS | 0 | 0.144 | -0.077 | 32.247 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 712 | LYS | 1 | 0.796 | 1.054 | 29.405 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 713 | LEU | 0 | 0.046 | -0.125 | 30.169 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 713 | LEU | 0 | -0.068 | 0.130 | 30.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 714 | PRO | 0 | -0.061 | -0.129 | 25.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 715 | TYR | 0 | 0.108 | 0.004 | 28.075 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 715 | TYR | 0 | -0.066 | 0.123 | 31.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 716 | CYS | 0 | 0.057 | -0.120 | 30.270 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 716 | CYS | 0 | -0.078 | 0.087 | 29.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 717 | GLN | 0 | 0.080 | -0.078 | 30.960 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 717 | GLN | 0 | -0.097 | 0.088 | 32.879 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 718 | ILE | 0 | 0.151 | -0.126 | 33.209 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 718 | ILE | 0 | -0.064 | 0.156 | 33.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 719 | ALA | 0 | 0.125 | -0.088 | 34.927 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 719 | ALA | 0 | -0.081 | 0.103 | 36.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 720 | THR | 0 | -0.013 | -0.077 | 37.518 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 720 | THR | 0 | -0.079 | 0.044 | 37.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 721 | GLU | 0 | 0.161 | -0.089 | 39.419 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 721 | GLU | -1 | -0.993 | -0.831 | 43.548 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 722 | LYS | 0 | 0.105 | -0.085 | 40.280 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 722 | LYS | 1 | 0.739 | 1.001 | 36.578 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 723 | GLY | 0 | 0.027 | -0.089 | 36.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 724 | GLN | 0 | 0.169 | 0.008 | 36.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 724 | GLN | 0 | -0.114 | 0.117 | 39.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 725 | MET | 0 | 0.053 | -0.119 | 38.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 725 | MET | 0 | -0.113 | 0.086 | 41.798 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 726 | GLU | 0 | 0.139 | -0.093 | 37.032 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 726 | GLU | -1 | -0.942 | -0.828 | 36.290 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 727 | GLU | 0 | 0.083 | -0.107 | 35.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 727 | GLU | -1 | -0.863 | -0.771 | 33.856 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 728 | GLN | 0 | 0.058 | -0.094 | 35.907 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 728 | GLN | 0 | -0.121 | 0.062 | 39.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 729 | PHE | 0 | 0.139 | -0.072 | 39.097 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 729 | PHE | 0 | -0.112 | 0.094 | 38.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 730 | TRP | 0 | 0.110 | -0.108 | 35.113 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 730 | TRP | 0 | -0.096 | 0.108 | 34.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 731 | ARG | 0 | 0.123 | -0.097 | 35.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 731 | ARG | 1 | 0.736 | 0.997 | 35.301 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 732 | SER | 0 | 0.019 | -0.097 | 36.354 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 732 | SER | 0 | -0.031 | 0.077 | 40.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 733 | VAL | 0 | 0.088 | -0.063 | 38.201 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 733 | VAL | 0 | -0.100 | 0.093 | 36.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 734 | ILE | 0 | 0.050 | -0.088 | 34.242 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 734 | ILE | 0 | -0.081 | 0.096 | 31.210 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 735 | PHE | 0 | 0.055 | -0.098 | 35.657 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 735 | PHE | 0 | -0.132 | 0.080 | 33.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 736 | HIS | 0 | 0.002 | -0.107 | 37.573 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 736 | HIS | 1 | 0.781 | 0.999 | 41.057 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 737 | ASN | 0 | 0.221 | -0.075 | 37.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 737 | ASN | 0 | -0.058 | 0.104 | 35.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 738 | HIS | 0 | 0.017 | -0.107 | 38.506 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 738 | HIS | 0 | -0.038 | 0.120 | 37.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 739 | LEU | 0 | 0.049 | -0.096 | 39.234 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 739 | LEU | 0 | -0.058 | 0.092 | 42.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 740 | ASP | 0 | 0.108 | -0.099 | 41.916 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 740 | ASP | -1 | -0.983 | -0.847 | 40.854 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 741 | TYR | 0 | 0.059 | -0.092 | 39.132 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 741 | TYR | 0 | -0.155 | 0.025 | 36.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 742 | LEU | 0 | -0.009 | -0.152 | 40.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 742 | LEU | 0 | -0.045 | 0.129 | 42.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 743 | ALA | 0 | 0.165 | -0.081 | 43.296 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 743 | ALA | 0 | -0.091 | 0.112 | 45.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 744 | LYS | 0 | 0.113 | -0.068 | 42.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 744 | LYS | 1 | 0.797 | 1.037 | 38.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 745 | ASN | 0 | -0.084 | -0.109 | 42.722 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 745 | ASN | 0 | -0.132 | 0.034 | 39.597 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 746 | GLY | 0 | 0.055 | -0.093 | 43.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 747 | TYR | 0 | 0.084 | 0.029 | 45.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 747 | TYR | 0 | -0.128 | 0.062 | 41.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 748 | GLU | 0 | 0.081 | -0.145 | 46.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 748 | GLU | -1 | -0.988 | -0.803 | 49.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 749 | TYR | 0 | 0.032 | -0.087 | 47.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 749 | TYR | 0 | -0.123 | 0.030 | 46.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 750 | GLU | 0 | 0.152 | -0.128 | 48.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 750 | GLU | -1 | -1.030 | -0.803 | 49.590 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 751 | GLU | 0 | 0.083 | -0.157 | 49.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 751 | GLU | -1 | -0.929 | -0.778 | 50.294 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 752 | SER | 0 | 0.016 | -0.107 | 51.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 752 | SER | 0 | -0.008 | 0.088 | 52.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 753 | THR | 0 | 0.035 | -0.100 | 47.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 753 | THR | 0 | -0.007 | 0.110 | 45.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 754 | LYS | 0 | 0.127 | -0.092 | 46.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 754 | LYS | 1 | 0.881 | 1.106 | 45.937 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 755 | ASN | 0 | 0.168 | -0.045 | 47.661 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 755 | ASN | 0 | -0.141 | 0.056 | 51.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 756 | GLN | 0 | 0.043 | -0.124 | 49.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 756 | GLN | 0 | -0.037 | 0.127 | 48.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 757 | ALA | 0 | 0.093 | -0.091 | 45.099 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 757 | ALA | 0 | -0.013 | 0.114 | 44.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 758 | THR | 0 | 0.020 | -0.104 | 45.778 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 758 | THR | 0 | -0.075 | 0.062 | 47.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 759 | LYS | 0 | 0.099 | -0.087 | 47.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 759 | LYS | 1 | 0.823 | 1.046 | 50.834 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 760 | GLU | 0 | 0.087 | -0.110 | 46.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 760 | GLU | -1 | -1.024 | -0.838 | 44.132 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 761 | GLN | 0 | 0.087 | -0.105 | 44.134 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 761 | GLN | 0 | -0.071 | 0.113 | 42.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 762 | GLN | 0 | 0.075 | -0.099 | 44.925 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 762 | GLN | 0 | -0.032 | 0.098 | 46.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 763 | GLU | 0 | 0.083 | -0.123 | 47.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 763 | GLU | -1 | -1.011 | -0.828 | 48.457 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 764 | LEU | 0 | 0.027 | -0.132 | 44.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 764 | LEU | 0 | -0.073 | 0.115 | 41.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 765 | LEU | 0 | 0.104 | -0.126 | 44.641 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 765 | LEU | 0 | -0.101 | 0.128 | 42.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 766 | MET | 0 | 0.145 | -0.088 | 45.545 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 766 | MET | 0 | -0.138 | 0.095 | 50.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 767 | LYS | 0 | 0.007 | -0.139 | 47.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 767 | LYS | 1 | 0.884 | 1.078 | 46.848 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 768 | MET | 0 | 0.075 | -0.099 | 43.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 768 | MET | 0 | -0.077 | 0.125 | 40.942 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 769 | LEU | 0 | 0.121 | -0.102 | 45.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 769 | LEU | 0 | -0.085 | 0.122 | 47.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 770 | ALA | 0 | 0.094 | -0.110 | 47.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 770 | ALA | 0 | -0.092 | 0.106 | 50.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 771 | LEU | 0 | 0.091 | -0.120 | 46.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 771 | LEU | 0 | -0.102 | 0.119 | 43.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 772 | SER | 0 | 0.015 | -0.112 | 45.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 772 | SER | 0 | -0.026 | 0.073 | 44.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 773 | CYS | 0 | 0.111 | -0.093 | 46.125 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 773 | CYS | 0 | -0.155 | 0.080 | 50.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 774 | LYS | 0 | -0.030 | -0.128 | 49.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 774 | LYS | 1 | 0.896 | 1.075 | 49.829 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 775 | LEU | 0 | 0.024 | -0.085 | 46.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 775 | LEU | 0 | -0.111 | 0.069 | 43.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 776 | GLU | 0 | 0.058 | -0.125 | 47.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 776 | GLU | -1 | -0.970 | -0.831 | 49.538 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 777 | ARG | 0 | 0.121 | -0.079 | 44.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 777 | ARG | 1 | 0.806 | 1.049 | 41.047 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 778 | GLU | 0 | 0.170 | -0.126 | 46.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 778 | GLU | -1 | -0.940 | -0.812 | 49.612 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 779 | PHE | 0 | 0.138 | -0.091 | 45.148 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 779 | PHE | 0 | -0.091 | 0.112 | 41.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 780 | ARG | 0 | 0.141 | -0.048 | 42.758 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 780 | ARG | 1 | 0.834 | 1.048 | 39.224 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 781 | CYS | 0 | 0.043 | -0.109 | 43.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 781 | CYS | 0 | -0.160 | 0.067 | 47.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 782 | VAL | 0 | 0.106 | -0.083 | 46.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 782 | VAL | 0 | -0.067 | 0.105 | 46.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 783 | GLU | 0 | 0.119 | -0.096 | 42.224 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 783 | GLU | -1 | -1.001 | -0.862 | 40.193 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 784 | LEU | 0 | 0.103 | -0.091 | 42.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 784 | LEU | 0 | -0.132 | 0.078 | 41.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 785 | ALA | 0 | 0.113 | -0.107 | 43.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 785 | ALA | 0 | -0.089 | 0.087 | 48.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 786 | ASP | 0 | 0.062 | -0.138 | 44.287 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 786 | ASP | -1 | -0.959 | -0.807 | 43.033 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 787 | LEU | 0 | 0.018 | -0.113 | 42.837 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 787 | LEU | 0 | -0.065 | 0.106 | 39.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 788 | MET | 0 | 0.050 | -0.079 | 43.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 788 | MET | 0 | -0.166 | 0.073 | 47.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 789 | THR | 0 | 0.075 | -0.096 | 47.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 789 | THR | 0 | -0.041 | 0.076 | 48.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 790 | GLN | 0 | 0.137 | -0.098 | 50.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 790 | GLN | 0 | -0.033 | 0.141 | 52.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 791 | ASN | 0 | 0.061 | -0.082 | 53.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 791 | ASN | 0 | -0.066 | 0.082 | 54.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 792 | ALA | 0 | 0.101 | -0.103 | 51.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 792 | ALA | 0 | -0.062 | 0.119 | 50.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 793 | VAL | 0 | 0.098 | -0.121 | 52.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 793 | VAL | 0 | -0.046 | 0.170 | 50.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 794 | ASN | 0 | 0.195 | -0.065 | 52.631 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 794 | ASN | 0 | -0.126 | 0.065 | 56.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 795 | LEU | 0 | 0.030 | -0.143 | 55.523 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 795 | LEU | 0 | -0.090 | 0.130 | 54.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 796 | ALA | 0 | 0.087 | -0.122 | 52.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 796 | ALA | 0 | -0.007 | 0.138 | 52.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 797 | ILE | 0 | 0.064 | -0.119 | 53.992 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 797 | ILE | 0 | -0.119 | 0.140 | 55.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 798 | LYS | 0 | 0.123 | -0.068 | 56.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 798 | LYS | 1 | 0.759 | 1.002 | 59.092 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 799 | TYR | 0 | 0.052 | -0.113 | 55.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 799 | TYR | 0 | -0.050 | 0.101 | 52.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 800 | ALA | 0 | 0.108 | -0.096 | 55.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 800 | ALA | 0 | -0.040 | 0.134 | 54.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 801 | SER | 0 | 0.072 | -0.069 | 55.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 801 | SER | 0 | -0.087 | 0.043 | 59.882 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 802 | ARG | 0 | -0.095 | -0.167 | 58.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 802 | ARG | 1 | 0.876 | 1.068 | 59.417 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 716 | A | 803 | SER | 0 | 0.114 | -0.009 | 56.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 717 | A | 803 | SER | 0 | -0.049 | 0.073 | 55.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 718 | A | 804 | ARG | 0 | -0.029 | -0.122 | 57.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 719 | A | 804 | ARG | 1 | 0.821 | 1.048 | 59.934 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 720 | A | 805 | LYS | 0 | 0.129 | -0.119 | 54.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 721 | A | 805 | LYS | 1 | 0.834 | 1.105 | 52.820 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 722 | A | 806 | LEU | 0 | 0.206 | -0.093 | 56.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 723 | A | 806 | LEU | 0 | -0.111 | 0.110 | 59.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 724 | A | 807 | ILE | 0 | 0.079 | -0.112 | 55.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 725 | A | 807 | ILE | 0 | -0.032 | 0.138 | 53.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 726 | A | 808 | LEU | 0 | 0.134 | -0.091 | 52.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 727 | A | 808 | LEU | 0 | -0.119 | 0.112 | 50.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 728 | A | 809 | ALA | 0 | 0.123 | -0.091 | 53.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 729 | A | 809 | ALA | 0 | -0.077 | 0.095 | 57.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 730 | A | 810 | GLN | 0 | 0.083 | -0.100 | 56.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 731 | A | 810 | GLN | 0 | -0.109 | 0.106 | 56.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 732 | A | 811 | LYS | 0 | 0.103 | -0.074 | 51.885 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 733 | A | 811 | LYS | 1 | 0.900 | 1.064 | 50.202 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 734 | A | 812 | LEU | 0 | 0.109 | -0.091 | 51.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 735 | A | 812 | LEU | 0 | -0.123 | 0.080 | 50.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 736 | A | 813 | SER | 0 | 0.021 | -0.092 | 52.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 737 | A | 813 | SER | 0 | -0.092 | 0.038 | 57.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 738 | A | 814 | GLU | 0 | 0.073 | -0.108 | 54.175 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 739 | A | 814 | GLU | -1 | -0.973 | -0.838 | 53.335 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 740 | A | 815 | LEU | 0 | 0.184 | -0.062 | 50.523 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 741 | A | 815 | LEU | 0 | -0.121 | 0.106 | 47.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 742 | A | 816 | ALA | 0 | 0.082 | -0.093 | 51.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 743 | A | 816 | ALA | 0 | -0.109 | 0.066 | 54.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 744 | A | 817 | VAL | 0 | 0.014 | -0.122 | 53.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 745 | A | 817 | VAL | 0 | -0.108 | 0.088 | 55.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 746 | A | 818 | GLU | 0 | 0.064 | -0.136 | 51.201 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 747 | A | 818 | GLU | -1 | -0.991 | -0.823 | 49.297 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 748 | A | 819 | LYS | 0 | 0.162 | -0.043 | 50.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 749 | A | 819 | LYS | 1 | 0.771 | 1.004 | 47.157 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 750 | A | 820 | ALA | 0 | 0.093 | -0.109 | 51.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 751 | A | 820 | ALA | 0 | -0.118 | 0.075 | 56.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 752 | A | 821 | ALA | 0 | 0.099 | -0.099 | 54.304 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 753 | A | 821 | ALA | 0 | -0.078 | 0.102 | 53.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 754 | A | 822 | GLU | 0 | 0.027 | -0.137 | 50.078 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 755 | A | 822 | GLU | -1 | -1.018 | -0.849 | 47.927 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 756 | A | 823 | LEU | 0 | 0.062 | -0.089 | 51.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 757 | A | 823 | LEU | 0 | -0.185 | 0.059 | 53.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 758 | A | 824 | THR | 0 | -0.177 | -0.184 | 53.129 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 759 | A | 824 | THR | 0 | 0.039 | 0.045 | 55.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |