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: 65N1Z
Calculation Name: 7RTM-A-Other547
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose | carbonate ion
Ligand 3-letter code: NAG | CO3
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7RTM
Chain ID: A
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-06
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 569 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -11916194.57273 |
|---|---|
| FMO2-HF: Nuclear repulsion | 11688233.307228 |
| FMO2-HF: Total energy | -227961.265501 |
| FMO2-MP2: Total energy | -228612.141349 |
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:451:LEU)
Summations of interaction energy for
fragment #1(A:451:LEU)
| 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. |
| 28.403 | 39.034 | 3.979 | -7.072 | -7.536 | -0.082 |
Interaction energy analysis for fragmet #1(A:451:LEU)
| 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 | 453 | GLY | 0 | 0.026 | 0.030 | 3.855 | 1.585 | 2.469 | -0.006 | -0.335 | -0.544 | 0.000 |
| 4 | A | 454 | GLY | 0 | 0.021 | 0.016 | 3.760 | 4.447 | 4.673 | 0.000 | -0.066 | -0.159 | 0.000 |
| 5 | A | 455 | LEU | 0 | -0.009 | 0.000 | 4.750 | 5.903 | 6.046 | -0.001 | -0.010 | -0.132 | 0.000 |
| 130 | A | 580 | THR | 0 | -0.061 | -0.030 | 2.424 | -11.059 | -10.136 | 1.110 | -0.966 | -1.068 | -0.004 |
| 131 | A | 581 | ASP | -1 | -0.848 | -0.939 | 2.157 | -120.925 | -112.512 | 2.877 | -5.686 | -5.602 | -0.078 |
| 132 | A | 582 | ALA | 0 | -0.008 | 0.001 | 4.696 | 7.096 | 7.138 | -0.001 | -0.009 | -0.031 | 0.000 |
| 6 | A | 456 | VAL | 0 | 0.011 | 0.001 | 7.542 | 4.725 | 4.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 457 | LEU | 0 | 0.019 | 0.006 | 9.127 | 3.333 | 3.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 458 | ASP | -1 | -0.791 | -0.906 | 10.545 | -24.917 | -24.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 459 | VAL | 0 | 0.024 | 0.012 | 12.462 | 1.971 | 1.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 460 | LYS | 1 | 0.934 | 0.963 | 13.771 | 20.639 | 20.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 461 | ARG | 1 | 0.912 | 0.957 | 11.444 | 24.942 | 24.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 462 | LYS | 1 | 0.869 | 0.936 | 16.458 | 17.059 | 17.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 463 | ALA | 0 | -0.002 | 0.001 | 18.424 | 0.942 | 0.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 464 | PRO | 0 | -0.012 | -0.008 | 19.738 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 465 | TRP | 0 | 0.007 | 0.016 | 20.265 | 0.883 | 0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 466 | TYR | 0 | 0.001 | 0.018 | 23.346 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 467 | TRP | 0 | 0.051 | 0.018 | 24.983 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 468 | SER | 0 | -0.014 | -0.015 | 27.328 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 469 | ASP | -1 | -0.843 | -0.931 | 24.787 | -12.141 | -12.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 470 | TYR | 0 | -0.009 | -0.008 | 27.296 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 471 | ARG | 1 | 0.917 | 0.966 | 31.148 | 9.202 | 9.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 472 | ASP | -1 | -0.847 | -0.921 | 30.256 | -10.067 | -10.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 473 | ALA | 0 | -0.014 | 0.006 | 32.865 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 474 | LEU | 0 | 0.020 | 0.015 | 34.241 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 475 | SER | 0 | 0.057 | 0.021 | 37.829 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 476 | LEU | 0 | 0.004 | 0.000 | 40.446 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 477 | GLN | 0 | 0.020 | 0.015 | 36.546 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 478 | CYS | 0 | -0.027 | -0.003 | 35.345 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 479 | LEU | 0 | 0.026 | 0.012 | 36.842 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 480 | ALA | 0 | 0.044 | 0.030 | 39.864 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 481 | SER | 0 | -0.019 | -0.012 | 34.810 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 482 | PHE | 0 | 0.031 | -0.003 | 36.132 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 483 | LEU | 0 | -0.002 | -0.005 | 37.061 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 484 | PHE | 0 | -0.004 | -0.001 | 37.013 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 485 | LEU | 0 | 0.013 | -0.008 | 32.767 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 486 | TYR | 0 | 0.022 | -0.003 | 36.136 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 487 | CYS | 0 | -0.014 | -0.004 | 37.797 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 488 | ALA | 0 | -0.019 | -0.005 | 36.925 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 489 | CYS | 0 | -0.043 | -0.030 | 33.419 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 490 | MET | 0 | 0.020 | 0.026 | 35.230 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 491 | SER | 0 | 0.027 | 0.026 | 37.727 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 492 | PRO | 0 | 0.014 | 0.021 | 34.258 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 493 | VAL | 0 | 0.002 | 0.014 | 32.564 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 494 | ILE | 0 | -0.009 | 0.003 | 35.212 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 495 | THR | 0 | -0.023 | -0.028 | 38.611 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 496 | PHE | 0 | 0.003 | 0.005 | 31.535 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 497 | GLY | 0 | 0.024 | 0.000 | 36.402 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 498 | GLY | 0 | -0.026 | -0.011 | 37.210 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 499 | LEU | 0 | 0.012 | 0.011 | 37.809 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 500 | LEU | 0 | 0.003 | -0.008 | 33.369 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 501 | GLY | 0 | 0.012 | 0.022 | 37.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 502 | GLU | -1 | -0.930 | -0.965 | 40.328 | -7.396 | -7.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 503 | ALA | 0 | -0.075 | -0.034 | 38.012 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 504 | THR | 0 | -0.041 | -0.032 | 35.792 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 505 | GLU | -1 | -0.780 | -0.865 | 39.098 | -7.432 | -7.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 506 | GLY | 0 | 0.064 | 0.042 | 41.814 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 507 | ARG | 1 | 0.805 | 0.898 | 38.220 | 7.897 | 7.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 508 | ILE | 0 | 0.012 | 0.009 | 33.351 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 509 | SER | 0 | -0.007 | -0.026 | 37.564 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 510 | ALA | 0 | 0.062 | 0.022 | 37.388 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 511 | ILE | 0 | 0.026 | 0.040 | 37.794 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 512 | GLU | -1 | -0.745 | -0.870 | 34.670 | -8.600 | -8.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 513 | SER | 0 | -0.050 | -0.042 | 33.367 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 514 | LEU | 0 | 0.032 | 0.010 | 33.156 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 515 | PHE | 0 | 0.036 | 0.027 | 32.700 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 516 | GLY | 0 | 0.057 | 0.027 | 29.887 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 517 | ALA | 0 | 0.001 | 0.008 | 28.914 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 518 | SER | 0 | -0.034 | -0.026 | 29.740 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 519 | MET | 0 | 0.012 | 0.002 | 27.774 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 520 | THR | 0 | -0.007 | -0.026 | 24.458 | -0.613 | -0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 521 | GLY | 0 | 0.012 | 0.000 | 25.173 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 522 | ILE | 0 | -0.013 | 0.007 | 26.872 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 523 | ALA | 0 | 0.022 | 0.012 | 23.063 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 524 | TYR | 0 | -0.041 | -0.047 | 19.547 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 525 | SER | 0 | -0.082 | -0.076 | 22.489 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 526 | LEU | 0 | -0.032 | -0.010 | 24.153 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 527 | PHE | 0 | -0.043 | -0.030 | 19.334 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 528 | ALA | 0 | 0.053 | 0.047 | 18.121 | -1.148 | -1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 529 | GLY | 0 | -0.038 | -0.021 | 16.405 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 530 | GLN | 0 | -0.043 | -0.052 | 17.347 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 531 | PRO | 0 | 0.012 | -0.001 | 20.370 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 532 | LEU | 0 | -0.020 | 0.004 | 23.641 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 533 | THR | 0 | -0.004 | -0.006 | 21.421 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 534 | ILE | 0 | -0.015 | -0.007 | 24.511 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 535 | LEU | 0 | -0.017 | -0.001 | 21.539 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 536 | GLY | 0 | 0.016 | -0.001 | 25.644 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 537 | SER | 0 | -0.011 | -0.035 | 28.194 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 538 | THR | 0 | 0.011 | 0.018 | 26.447 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 539 | GLY | 0 | 0.044 | 0.015 | 29.672 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 540 | PRO | 0 | 0.011 | -0.011 | 26.594 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 541 | VAL | 0 | 0.013 | 0.020 | 26.586 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 542 | LEU | 0 | 0.019 | 0.017 | 28.962 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 543 | VAL | 0 | 0.002 | 0.002 | 30.597 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 544 | PHE | 0 | 0.004 | 0.006 | 25.552 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 545 | GLU | -1 | -0.740 | -0.871 | 29.018 | -10.641 | -10.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 546 | LYS | 1 | 0.946 | 0.982 | 32.037 | 8.542 | 8.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 547 | ILE | 0 | -0.018 | -0.005 | 31.383 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 548 | LEU | 0 | -0.031 | -0.004 | 28.438 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 549 | PHE | 0 | 0.014 | -0.011 | 32.209 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 550 | LYS | 1 | 0.901 | 0.954 | 35.766 | 8.299 | 8.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 551 | PHE | 0 | 0.000 | 0.000 | 30.670 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 552 | CYS | 0 | -0.053 | -0.002 | 34.550 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 553 | LYS | 1 | 0.913 | 0.946 | 36.176 | 7.907 | 7.907 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 554 | ASP | -1 | -0.891 | -0.930 | 37.769 | -8.139 | -8.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 555 | TYR | 0 | -0.033 | -0.037 | 36.028 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 556 | ALA | 0 | -0.019 | 0.005 | 36.219 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 557 | LEU | 0 | 0.011 | 0.016 | 37.688 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 558 | SER | 0 | 0.014 | -0.004 | 35.504 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 559 | TYR | 0 | 0.021 | -0.028 | 32.483 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 560 | LEU | 0 | 0.006 | 0.002 | 32.768 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 561 | SER | 0 | 0.027 | 0.015 | 31.374 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 562 | LEU | 0 | 0.049 | 0.022 | 29.324 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 563 | ARG | 1 | 0.882 | 0.939 | 28.347 | 10.258 | 10.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 564 | ALA | 0 | 0.037 | 0.022 | 26.920 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 565 | CYS | 0 | -0.040 | -0.008 | 25.396 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 566 | ILE | 0 | 0.003 | -0.001 | 23.719 | -0.658 | -0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 567 | GLY | 0 | 0.020 | -0.001 | 22.469 | -0.665 | -0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 568 | LEU | 0 | 0.006 | 0.009 | 21.182 | -0.871 | -0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 569 | TRP | 0 | -0.038 | -0.018 | 18.920 | -1.269 | -1.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 570 | THR | 0 | -0.002 | -0.010 | 17.784 | -1.432 | -1.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 571 | ALA | 0 | 0.036 | 0.032 | 16.828 | -1.209 | -1.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 572 | PHE | 0 | 0.000 | -0.007 | 14.438 | -1.576 | -1.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 573 | LEU | 0 | -0.005 | -0.006 | 13.322 | -1.849 | -1.849 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 574 | CYS | 0 | -0.035 | -0.021 | 12.055 | -1.927 | -1.927 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 575 | ILE | 0 | -0.003 | 0.004 | 11.290 | -2.442 | -2.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 576 | VAL | 0 | 0.013 | 0.006 | 7.962 | -3.440 | -3.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 577 | LEU | 0 | 0.015 | 0.015 | 6.943 | -5.600 | -5.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 578 | VAL | 0 | -0.037 | -0.026 | 7.333 | -4.572 | -4.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 579 | ALA | 0 | -0.042 | -0.014 | 6.247 | -3.477 | -3.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 583 | SER | 0 | -0.022 | -0.015 | 7.118 | 4.491 | 4.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 584 | SER | 0 | -0.010 | 0.000 | 6.533 | 4.159 | 4.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 585 | LEU | 0 | 0.039 | 0.004 | 8.516 | 2.998 | 2.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 586 | VAL | 0 | 0.006 | 0.017 | 11.351 | 2.447 | 2.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 587 | CYS | 0 | -0.064 | -0.036 | 12.272 | 1.898 | 1.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 588 | TYR | 0 | -0.012 | 0.005 | 11.656 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 589 | ILE | 0 | -0.015 | 0.007 | 16.722 | 1.298 | 1.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 590 | THR | 0 | -0.007 | -0.012 | 18.874 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 591 | ARG | 1 | 0.871 | 0.928 | 21.939 | 11.687 | 11.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 592 | PHE | 0 | -0.007 | -0.009 | 25.463 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 593 | THR | 0 | 0.008 | 0.004 | 22.090 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 594 | GLU | -1 | -0.815 | -0.920 | 22.773 | -13.577 | -13.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 595 | GLU | -1 | -0.774 | -0.905 | 24.642 | -10.548 | -10.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 596 | ALA | 0 | -0.026 | -0.005 | 28.172 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 597 | PHE | 0 | 0.021 | 0.006 | 24.878 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 598 | ALA | 0 | 0.034 | 0.006 | 27.344 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 599 | SER | 0 | 0.016 | 0.001 | 28.923 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 600 | LEU | 0 | -0.027 | 0.000 | 30.857 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 601 | ILE | 0 | -0.004 | 0.001 | 27.879 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 602 | CYS | 0 | -0.040 | -0.023 | 31.753 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 603 | ILE | 0 | -0.009 | 0.000 | 34.242 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 604 | ILE | 0 | -0.009 | -0.006 | 33.241 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 605 | PHE | 0 | 0.000 | -0.001 | 34.741 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 606 | ILE | 0 | -0.025 | -0.016 | 36.788 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 607 | TYR | 0 | -0.047 | -0.009 | 39.704 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 608 | GLU | -1 | -0.851 | -0.932 | 36.588 | -8.500 | -8.500 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 609 | ALA | 0 | -0.052 | -0.023 | 40.763 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 610 | ILE | 0 | -0.022 | -0.014 | 42.279 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 611 | GLU | -1 | -0.873 | -0.941 | 43.612 | -7.218 | -7.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 612 | LYS | 1 | 0.882 | 0.939 | 38.636 | 8.259 | 8.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 613 | LEU | 0 | -0.033 | -0.020 | 45.372 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 614 | ILE | 0 | -0.031 | -0.006 | 48.210 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 615 | HIS | 0 | 0.094 | 0.047 | 47.317 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 616 | LEU | 0 | -0.073 | -0.017 | 49.282 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 617 | ALA | 0 | 0.002 | -0.015 | 51.085 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 618 | GLU | -1 | -0.930 | -0.962 | 50.453 | -6.278 | -6.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 619 | THR | 0 | -0.084 | -0.058 | 50.661 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 620 | TYR | 0 | -0.054 | -0.025 | 51.986 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 621 | PRO | 0 | 0.057 | 0.049 | 56.352 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 622 | ILE | 0 | 0.021 | -0.001 | 57.105 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 623 | HIS | 0 | 0.041 | 0.020 | 61.172 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 624 | MET | 0 | -0.012 | 0.000 | 61.578 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 625 | HIS | 0 | -0.006 | -0.014 | 64.859 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 626 | SER | 0 | 0.019 | 0.007 | 67.103 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 627 | GLN | 0 | -0.055 | -0.029 | 69.592 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 628 | LEU | 0 | 0.068 | 0.021 | 70.975 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 629 | ASP | -1 | -0.868 | -0.924 | 74.381 | -4.169 | -4.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 630 | HIS | 1 | 0.889 | 0.939 | 75.257 | 4.243 | 4.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 631 | LEU | 0 | 0.029 | 0.029 | 70.236 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 632 | SER | 0 | 0.007 | -0.005 | 73.851 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 633 | LEU | 0 | -0.054 | -0.024 | 76.464 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 634 | TYR | 0 | -0.049 | -0.018 | 71.303 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 635 | TYR | 0 | 0.017 | 0.016 | 72.720 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 636 | CYS | 0 | -0.099 | -0.034 | 66.306 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 637 | ARG | 1 | 0.942 | 0.984 | 70.464 | 4.326 | 4.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 638 | CYS | 0 | -0.030 | 0.022 | 62.606 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 639 | ALA | 0 | 0.009 | 0.007 | 69.006 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 640 | LEU | 0 | 0.022 | 0.009 | 69.352 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 641 | PRO | 0 | -0.041 | -0.016 | 67.141 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 642 | GLU | -1 | -0.867 | -0.946 | 69.501 | -4.288 | -4.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 643 | ASN | 0 | -0.097 | -0.043 | 70.806 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 644 | PRO | 0 | 0.006 | 0.009 | 68.006 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 645 | ASN | 0 | 0.037 | 0.014 | 61.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 646 | ASN | 0 | 0.043 | 0.021 | 62.964 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 647 | HIS | 0 | -0.034 | -0.014 | 55.864 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 648 | THR | 0 | 0.067 | 0.032 | 60.844 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 649 | LEU | 0 | 0.018 | 0.026 | 62.655 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 650 | GLN | 0 | -0.006 | -0.018 | 60.901 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 651 | TYR | 0 | 0.016 | 0.011 | 56.642 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 652 | TRP | 0 | 0.006 | -0.002 | 60.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 653 | LYS | 1 | 0.801 | 0.898 | 61.857 | 5.201 | 5.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 654 | GLU | -1 | -0.940 | -0.979 | 58.767 | -5.422 | -5.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 655 | HIS | 1 | 0.863 | 0.938 | 56.849 | 5.495 | 5.495 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 656 | SER | 0 | -0.027 | 0.002 | 61.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 657 | ILE | 0 | 0.036 | 0.022 | 62.520 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 658 | PRO | 0 | -0.019 | -0.020 | 66.843 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 659 | THR | 0 | -0.048 | -0.045 | 70.687 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 660 | ALA | 0 | 0.074 | 0.049 | 68.813 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 661 | ASP | -1 | -0.831 | -0.907 | 70.754 | -4.333 | -4.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 662 | VAL | 0 | -0.054 | -0.017 | 73.849 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 663 | ASN | 0 | -0.047 | -0.031 | 69.977 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 664 | TRP | 0 | -0.025 | -0.026 | 66.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 665 | ALA | 0 | 0.035 | 0.028 | 71.607 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 666 | ASN | 0 | -0.065 | -0.059 | 71.288 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 667 | LEU | 0 | 0.046 | 0.039 | 66.033 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 668 | THR | 0 | -0.004 | -0.007 | 64.629 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 669 | VAL | 0 | 0.012 | -0.010 | 60.203 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 670 | SER | 0 | -0.048 | -0.040 | 59.342 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 671 | GLU | -1 | -0.815 | -0.895 | 60.186 | -5.312 | -5.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 673 | GLN | 0 | -0.024 | -0.010 | 55.582 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 674 | GLU | -1 | -0.968 | -0.987 | 57.967 | -5.473 | -5.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 675 | MET | 0 | -0.003 | -0.003 | 59.176 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 676 | HIS | 0 | -0.106 | -0.047 | 57.404 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 677 | GLY | 0 | 0.045 | 0.028 | 62.175 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 678 | GLU | -1 | -0.908 | -0.948 | 64.708 | -4.813 | -4.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 679 | PHE | 0 | -0.016 | -0.024 | 62.565 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 680 | ILE | 0 | 0.042 | 0.020 | 67.409 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 681 | GLY | 0 | 0.035 | -0.018 | 70.817 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 682 | SER | 0 | -0.026 | -0.012 | 71.058 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 683 | ALA | 0 | -0.032 | -0.021 | 68.481 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 685 | GLY | 0 | 0.046 | 0.041 | 66.732 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 686 | HIS | 0 | -0.028 | -0.006 | 58.841 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 687 | HIS | 0 | 0.012 | -0.016 | 60.368 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 688 | GLY | 0 | 0.019 | 0.023 | 61.082 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 689 | PRO | 0 | -0.002 | -0.018 | 62.074 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 690 | TYR | 0 | -0.063 | -0.027 | 62.800 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 691 | THR | 0 | -0.039 | -0.029 | 59.160 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 692 | PRO | 0 | -0.039 | -0.005 | 62.146 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 693 | ASP | -1 | -0.836 | -0.935 | 61.168 | -5.129 | -5.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 694 | VAL | 0 | -0.007 | -0.003 | 55.520 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 695 | LEU | 0 | 0.028 | 0.038 | 54.656 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 696 | PHE | 0 | 0.063 | 0.024 | 55.639 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 697 | TRP | 0 | 0.029 | 0.009 | 55.635 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 698 | SER | 0 | 0.005 | -0.026 | 51.924 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 699 | CYS | 0 | -0.037 | -0.020 | 51.875 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 700 | ILE | 0 | 0.013 | 0.013 | 52.993 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 701 | LEU | 0 | 0.019 | 0.003 | 50.839 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 702 | PHE | 0 | -0.021 | 0.010 | 45.412 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 703 | PHE | 0 | 0.021 | -0.010 | 48.696 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 704 | ALA | 0 | 0.011 | 0.010 | 50.519 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 705 | THR | 0 | 0.003 | -0.013 | 45.844 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 706 | PHE | 0 | 0.001 | 0.021 | 43.618 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 707 | ILE | 0 | 0.026 | 0.013 | 46.752 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 708 | VAL | 0 | 0.009 | 0.015 | 49.210 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 709 | SER | 0 | -0.020 | -0.032 | 44.226 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 710 | SER | 0 | 0.039 | 0.006 | 44.591 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 711 | THR | 0 | -0.065 | -0.037 | 45.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 712 | LEU | 0 | -0.013 | -0.009 | 47.333 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 713 | LYS | 1 | 0.903 | 0.972 | 39.062 | 7.986 | 7.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 714 | THR | 0 | 0.011 | 0.011 | 44.154 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 715 | PHE | 0 | -0.005 | 0.002 | 46.008 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 716 | LYS | 1 | 0.871 | 0.927 | 40.090 | 8.038 | 8.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 717 | THR | 0 | 0.025 | 0.017 | 45.558 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 718 | SER | 0 | 0.012 | 0.033 | 47.764 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 719 | ARG | 1 | 0.917 | 0.933 | 50.974 | 5.964 | 5.964 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 720 | TYR | 0 | 0.028 | 0.022 | 53.703 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 721 | PHE | 0 | 0.053 | 0.029 | 53.139 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 722 | PRO | 0 | 0.048 | 0.014 | 52.971 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 723 | THR | 0 | 0.086 | 0.031 | 46.588 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 724 | ARG | 1 | 1.002 | 1.003 | 47.489 | 5.958 | 5.958 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 725 | VAL | 0 | -0.047 | -0.024 | 48.065 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 726 | ARG | 1 | 0.825 | 0.927 | 48.251 | 6.502 | 6.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 727 | SER | 0 | 0.015 | -0.012 | 43.827 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 728 | THR | 0 | -0.038 | -0.005 | 44.261 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 729 | VAL | 0 | 0.041 | 0.015 | 45.486 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 730 | SER | 0 | -0.033 | -0.009 | 43.891 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 731 | ASP | 0 | -0.068 | -0.063 | 40.579 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 732 | PHE | 0 | 0.046 | 0.007 | 42.093 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 733 | ALA | 0 | -0.007 | 0.017 | 44.138 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 734 | VAL | 0 | 0.058 | 0.025 | 40.842 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 735 | PHE | 0 | 0.011 | 0.014 | 43.670 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 736 | LEU | 0 | -0.002 | -0.006 | 45.175 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 737 | THR | 0 | -0.009 | -0.004 | 46.203 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 738 | ILE | 0 | 0.001 | -0.005 | 43.087 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 739 | PHE | 0 | -0.009 | -0.009 | 47.708 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 740 | THR | 0 | 0.008 | -0.004 | 50.407 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 741 | MET | 0 | -0.002 | 0.003 | 50.488 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 742 | VAL | 0 | -0.017 | -0.002 | 49.591 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 743 | ILE | 0 | -0.004 | 0.000 | 52.611 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 744 | LEU | 0 | -0.012 | -0.010 | 55.650 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 745 | ASP | -1 | -0.803 | -0.904 | 54.536 | -5.798 | -5.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 746 | PHE | 0 | -0.055 | -0.020 | 56.169 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 747 | LEU | 0 | -0.052 | -0.018 | 57.839 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 748 | ILE | 0 | -0.026 | -0.016 | 60.319 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 749 | GLY | 0 | 0.015 | 0.029 | 58.719 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 750 | VAL | 0 | 0.014 | 0.008 | 57.871 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 751 | PRO | 0 | -0.061 | -0.031 | 56.829 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 752 | SER | 0 | 0.041 | 0.022 | 52.924 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 753 | PRO | 0 | 0.011 | 0.007 | 49.225 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 754 | LYS | 1 | 0.874 | 0.933 | 49.205 | 5.941 | 5.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 755 | LEU | 0 | -0.009 | 0.000 | 41.679 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 756 | GLN | 0 | -0.025 | -0.010 | 46.081 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 757 | VAL | 0 | 0.047 | 0.013 | 41.748 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 758 | PRO | 0 | -0.024 | 0.001 | 42.240 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 759 | SER | 0 | 0.018 | 0.019 | 43.666 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 760 | VAL | 0 | 0.007 | -0.002 | 45.531 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 761 | PHE | 0 | 0.006 | -0.001 | 37.442 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 762 | LYS | 1 | 0.835 | 0.897 | 42.327 | 6.971 | 6.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 763 | PRO | 0 | 0.013 | 0.022 | 40.030 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 764 | THR | 0 | -0.054 | -0.056 | 39.924 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 765 | ARG | 1 | 0.857 | 0.886 | 42.394 | 7.170 | 7.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 766 | ASP | -1 | -0.836 | -0.877 | 44.828 | -6.714 | -6.714 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 767 | ASP | -1 | -0.882 | -0.930 | 44.669 | -6.898 | -6.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 768 | ARG | 1 | 0.838 | 0.927 | 36.623 | 8.133 | 8.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 769 | GLY | 0 | 0.037 | 0.022 | 39.787 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 770 | TRP | 0 | -0.010 | -0.012 | 36.030 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 771 | PHE | 0 | -0.020 | -0.015 | 34.493 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 772 | ILE | 0 | -0.033 | -0.009 | 32.910 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 773 | SER | 0 | 0.011 | -0.003 | 33.775 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 774 | PRO | 0 | -0.026 | 0.002 | 30.466 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 775 | ILE | 0 | -0.005 | -0.014 | 26.927 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 776 | GLY | 0 | 0.022 | -0.002 | 31.001 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 777 | PRO | 0 | 0.007 | 0.006 | 33.260 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 778 | ASN | 0 | -0.017 | 0.010 | 32.416 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 779 | PRO | 0 | 0.071 | 0.034 | 33.887 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 780 | TRP | 0 | 0.073 | 0.043 | 25.945 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 781 | TRP | 0 | 0.041 | 0.016 | 29.214 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 782 | THR | 0 | -0.026 | -0.030 | 29.015 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 783 | VAL | 0 | 0.024 | 0.005 | 25.616 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 784 | ILE | 0 | 0.012 | 0.015 | 23.933 | -0.543 | -0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 785 | ALA | 0 | 0.014 | 0.003 | 24.412 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 786 | ALA | 0 | -0.007 | -0.006 | 25.401 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 787 | ILE | 0 | 0.008 | 0.005 | 19.328 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 788 | ILE | 0 | 0.023 | 0.017 | 21.032 | -0.594 | -0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 789 | PRO | 0 | 0.001 | -0.009 | 22.728 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 790 | ALA | 0 | 0.024 | 0.016 | 20.527 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 791 | LEU | 0 | 0.000 | 0.004 | 16.181 | -0.749 | -0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 792 | LEU | 0 | -0.003 | -0.006 | 19.055 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 793 | CYS | 0 | -0.013 | 0.001 | 21.440 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 794 | THR | 0 | 0.022 | 0.000 | 15.643 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 795 | ILE | 0 | -0.008 | -0.004 | 16.467 | -0.656 | -0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 796 | LEU | 0 | -0.037 | -0.015 | 17.992 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 797 | ILE | 0 | 0.024 | 0.004 | 18.307 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 798 | PHE | 0 | -0.029 | -0.012 | 11.102 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 799 | MET | 0 | -0.004 | -0.010 | 16.415 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 800 | ASP | -1 | -0.896 | -0.951 | 18.264 | -12.951 | -12.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 801 | GLN | 0 | -0.027 | -0.029 | 17.372 | 1.007 | 1.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 802 | GLN | 0 | 0.005 | -0.009 | 13.038 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 803 | ILE | 0 | -0.001 | 0.007 | 17.060 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 804 | THR | 0 | -0.007 | -0.005 | 20.242 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 805 | ALA | 0 | 0.002 | 0.005 | 17.581 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 806 | VAL | 0 | -0.048 | -0.029 | 17.175 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 807 | ILE | 0 | -0.002 | 0.006 | 19.557 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 808 | ILE | 0 | -0.016 | -0.011 | 22.181 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 809 | ASN | 0 | -0.032 | -0.005 | 17.466 | 0.783 | 0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 810 | ARG | 1 | 0.815 | 0.918 | 21.134 | 11.391 | 11.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 811 | LYS | 1 | 0.843 | 0.897 | 20.382 | 15.107 | 15.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 812 | GLU | -1 | -0.877 | -0.950 | 25.268 | -11.095 | -11.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 813 | HIS | 0 | 0.031 | 0.034 | 25.377 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 814 | LYS | 1 | 0.913 | 0.964 | 24.945 | 10.985 | 10.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 815 | LEU | 0 | 0.008 | 0.010 | 23.041 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 816 | LYS | 1 | 0.804 | 0.904 | 25.163 | 10.444 | 10.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 817 | LYS | 1 | 0.850 | 0.931 | 22.310 | 11.576 | 11.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 818 | GLY | 0 | 0.008 | 0.011 | 18.670 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 819 | CYS | 0 | -0.020 | -0.013 | 15.798 | 0.632 | 0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 820 | GLY | 0 | 0.011 | -0.011 | 13.338 | -0.690 | -0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 821 | TYR | 0 | 0.036 | 0.023 | 11.362 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 822 | HIS | 0 | 0.008 | 0.001 | 4.875 | 1.772 | 1.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 823 | LEU | 0 | -0.024 | -0.013 | 10.322 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 824 | ASP | -1 | -0.829 | -0.885 | 13.497 | -16.631 | -16.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 825 | LEU | 0 | 0.044 | 0.022 | 10.897 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 826 | LEU | 0 | 0.004 | 0.005 | 11.831 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 827 | VAL | 0 | -0.015 | -0.001 | 13.890 | 0.951 | 0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 828 | VAL | 0 | 0.010 | 0.006 | 17.177 | 0.909 | 0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 829 | ALA | 0 | -0.008 | 0.000 | 15.113 | 0.742 | 0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 830 | ILE | 0 | -0.001 | -0.008 | 16.259 | 0.723 | 0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 831 | MET | 0 | -0.021 | 0.008 | 18.953 | 0.899 | 0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 832 | LEU | 0 | 0.008 | 0.008 | 19.335 | 0.683 | 0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 833 | GLY | 0 | 0.055 | 0.025 | 20.784 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 834 | VAL | 0 | -0.010 | 0.000 | 21.888 | 0.634 | 0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 835 | CYS | 0 | -0.007 | -0.005 | 24.868 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 836 | SER | 0 | -0.122 | -0.043 | 24.327 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 837 | LEU | 0 | 0.011 | -0.003 | 25.845 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 838 | MET | 0 | -0.013 | -0.001 | 27.668 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 839 | GLY | 0 | 0.006 | 0.012 | 29.967 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 840 | LEU | 0 | -0.055 | -0.024 | 29.667 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 841 | PRO | 0 | -0.085 | -0.045 | 29.773 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 842 | TRP | 0 | 0.000 | -0.001 | 25.286 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 843 | PHE | 0 | 0.009 | 0.002 | 25.520 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 844 | VAL | 0 | 0.019 | 0.014 | 21.758 | -0.600 | -0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 845 | ALA | 0 | 0.011 | 0.008 | 21.921 | 0.617 | 0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 846 | ALA | 0 | 0.041 | 0.034 | 23.863 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 847 | THR | 0 | 0.014 | 0.012 | 26.596 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 848 | VAL | 0 | 0.019 | 0.016 | 28.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 849 | LEU | 0 | 0.018 | 0.001 | 30.121 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 850 | SER | 0 | 0.012 | 0.003 | 26.278 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 851 | ILE | 0 | 0.029 | 0.016 | 27.900 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 852 | THR | 0 | 0.019 | 0.005 | 29.957 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 853 | HIS | 0 | -0.015 | 0.002 | 29.570 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 854 | VAL | 0 | -0.014 | 0.004 | 27.663 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 855 | ASN | 0 | -0.013 | -0.013 | 30.559 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 856 | SER | 0 | -0.126 | -0.047 | 33.915 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 857 | LEU | 0 | -0.064 | -0.037 | 31.432 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 858 | LYS | 1 | 0.958 | 0.983 | 33.222 | 8.708 | 8.708 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 859 | LEU | 0 | -0.044 | -0.015 | 32.631 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 860 | GLU | -1 | -0.826 | -0.917 | 36.056 | -8.245 | -8.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 861 | SER | 0 | -0.032 | -0.010 | 38.870 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 862 | GLU | -1 | -0.839 | -0.915 | 41.440 | -7.392 | -7.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 863 | CYS | 0 | -0.066 | -0.042 | 44.289 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 864 | SER | 0 | -0.057 | -0.029 | 43.922 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 865 | ALA | 0 | 0.029 | 0.021 | 46.281 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 866 | PRO | 0 | -0.024 | -0.011 | 48.992 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 867 | GLY | 0 | -0.011 | -0.007 | 50.184 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 868 | GLU | -1 | -0.873 | -0.953 | 48.079 | -6.669 | -6.669 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 869 | GLN | 0 | -0.019 | 0.005 | 42.213 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 870 | PRO | 0 | 0.069 | 0.034 | 42.194 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 871 | LYS | 1 | 0.837 | 0.909 | 39.761 | 7.610 | 7.610 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 872 | PHE | 0 | 0.024 | -0.007 | 31.192 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 873 | LEU | 0 | -0.022 | -0.005 | 34.297 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 874 | GLY | 0 | -0.006 | 0.019 | 31.205 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 875 | ILE | 0 | 0.034 | 0.005 | 28.423 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 876 | ARG | 1 | 0.822 | 0.902 | 30.309 | 9.292 | 9.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 877 | GLU | -1 | -0.735 | -0.882 | 25.407 | -11.387 | -11.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 878 | GLN | 0 | 0.001 | -0.016 | 26.922 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 879 | ARG | 1 | 0.927 | 0.985 | 22.472 | 12.900 | 12.900 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 880 | VAL | 0 | 0.043 | 0.021 | 27.795 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 881 | THR | 0 | -0.014 | -0.008 | 30.992 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 882 | GLY | 0 | 0.031 | 0.018 | 28.789 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 883 | LEU | 0 | 0.044 | 0.027 | 28.899 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 884 | MET | 0 | 0.001 | -0.002 | 30.472 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 885 | ILE | 0 | -0.018 | -0.005 | 32.261 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 886 | PHE | 0 | 0.002 | 0.000 | 29.263 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 887 | VAL | 0 | 0.022 | 0.019 | 32.432 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 888 | LEU | 0 | -0.011 | 0.010 | 34.558 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 889 | MET | 0 | -0.021 | -0.014 | 34.117 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 890 | GLY | 0 | 0.019 | 0.014 | 35.507 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 891 | CYS | 0 | -0.047 | -0.023 | 36.264 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 892 | SER | 0 | -0.058 | -0.033 | 39.520 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 893 | VAL | 0 | 0.010 | 0.013 | 37.491 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 894 | PHE | 0 | 0.043 | 0.019 | 40.770 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 895 | MET | 0 | -0.056 | -0.020 | 43.740 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 896 | THR | 0 | 0.030 | -0.008 | 44.653 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 897 | ALA | 0 | -0.052 | -0.033 | 46.927 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 898 | VAL | 0 | 0.004 | 0.005 | 44.790 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 899 | LEU | 0 | 0.032 | 0.004 | 41.651 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 900 | LYS | 1 | 0.992 | 1.008 | 46.319 | 6.148 | 6.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 901 | PHE | 0 | -0.004 | -0.010 | 49.501 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 902 | ILE | 0 | 0.007 | 0.004 | 45.512 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 903 | PRO | 0 | 0.004 | 0.004 | 48.187 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 904 | MET | 0 | -0.017 | -0.013 | 44.877 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 905 | PRO | 0 | 0.045 | 0.027 | 46.186 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 906 | VAL | 0 | 0.032 | 0.027 | 46.821 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 907 | LEU | 0 | -0.009 | -0.012 | 42.215 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 908 | TYR | 0 | 0.011 | 0.003 | 42.594 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 909 | GLY | 0 | 0.053 | 0.030 | 43.748 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 910 | VAL | 0 | -0.060 | -0.026 | 40.470 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 911 | PHE | 0 | -0.013 | -0.023 | 38.560 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 912 | LEU | 0 | 0.046 | 0.033 | 39.585 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 913 | TYR | 0 | -0.002 | 0.005 | 40.141 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 914 | MET | 0 | -0.040 | -0.007 | 35.059 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 915 | GLY | 0 | 0.031 | 0.020 | 36.431 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 916 | VAL | 0 | -0.003 | -0.008 | 37.158 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 917 | SER | 0 | -0.040 | -0.019 | 38.059 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 918 | SER | 0 | -0.033 | -0.024 | 32.724 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 919 | LEU | 0 | 0.006 | -0.010 | 33.244 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 920 | GLN | 0 | -0.044 | -0.016 | 34.619 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 921 | GLY | 0 | 0.035 | 0.021 | 31.604 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 922 | ILE | 0 | -0.036 | -0.002 | 30.427 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 923 | GLN | 0 | 0.030 | 0.020 | 31.330 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 924 | PHE | 0 | -0.049 | -0.046 | 31.756 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 925 | PHE | 0 | 0.074 | 0.021 | 33.599 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 926 | ASP | -1 | -0.888 | -0.950 | 35.856 | -7.991 | -7.991 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 927 | ARG | 1 | 0.837 | 0.922 | 33.026 | 9.584 | 9.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 928 | LEU | 0 | -0.011 | 0.004 | 37.767 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 929 | LYS | 1 | 0.901 | 0.965 | 39.384 | 8.289 | 8.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 930 | LEU | 0 | -0.002 | 0.002 | 41.279 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 931 | PHE | 0 | -0.030 | -0.029 | 38.970 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 932 | GLY | 0 | 0.025 | 0.026 | 44.285 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 933 | MET | 0 | -0.028 | -0.004 | 45.911 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 934 | PRO | 0 | 0.045 | 0.019 | 47.640 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 935 | ALA | 0 | -0.007 | -0.019 | 48.343 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 936 | LYS | 1 | 0.881 | 0.946 | 49.292 | 5.960 | 5.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 937 | HIS | 0 | 0.048 | 0.015 | 50.710 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 938 | GLN | 0 | -0.003 | 0.009 | 44.437 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 939 | PRO | 0 | 0.026 | 0.011 | 42.832 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 940 | ASP | -1 | -0.897 | -0.932 | 41.205 | -7.952 | -7.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 941 | PHE | 0 | 0.027 | 0.031 | 38.090 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 942 | ILE | 0 | -0.008 | -0.025 | 35.100 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 943 | TYR | 0 | 0.044 | -0.005 | 34.636 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 944 | LEU | 0 | 0.003 | 0.011 | 38.616 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 945 | ARG | 1 | 0.972 | 0.991 | 41.303 | 7.431 | 7.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 946 | HIS | 1 | 0.795 | 0.903 | 36.698 | 8.578 | 8.578 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 947 | VAL | 0 | -0.025 | -0.005 | 35.520 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 948 | PRO | 0 | 0.035 | 0.026 | 38.228 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 949 | LEU | 0 | 0.100 | 0.044 | 40.375 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 950 | ARG | 1 | 0.999 | 1.000 | 41.427 | 7.198 | 7.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 951 | LYS | 1 | 0.871 | 0.926 | 36.912 | 8.106 | 8.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 952 | VAL | 0 | 0.025 | 0.012 | 36.809 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 953 | HIS | 0 | 0.025 | 0.013 | 37.345 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 954 | LEU | 0 | 0.018 | 0.019 | 36.453 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 955 | PHE | 0 | 0.020 | 0.002 | 29.596 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 956 | THR | 0 | -0.003 | -0.015 | 33.890 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 957 | LEU | 0 | -0.001 | 0.018 | 36.037 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 958 | VAL | 0 | 0.023 | 0.022 | 31.495 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 959 | GLN | 0 | 0.000 | -0.003 | 29.545 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 960 | LEU | 0 | 0.000 | -0.004 | 32.563 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 961 | THR | 0 | -0.009 | -0.025 | 35.247 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 962 | CYS | 0 | -0.059 | -0.017 | 29.796 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 963 | LEU | 0 | 0.024 | 0.022 | 31.391 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 964 | VAL | 0 | 0.019 | -0.004 | 32.748 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 965 | LEU | 0 | -0.004 | 0.005 | 31.411 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 966 | LEU | 0 | 0.010 | -0.008 | 27.059 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 967 | TRP | 0 | -0.006 | 0.000 | 31.223 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 968 | VAL | 0 | 0.022 | 0.001 | 34.546 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 969 | ILE | 0 | -0.005 | -0.001 | 29.326 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 970 | LYS | 1 | 0.831 | 0.935 | 29.642 | 10.405 | 10.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 971 | ALA | 0 | 0.014 | 0.009 | 32.923 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 972 | SER | 0 | -0.001 | 0.009 | 33.168 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 973 | PRO | 0 | 0.022 | 0.005 | 35.358 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 974 | ALA | 0 | -0.031 | -0.029 | 31.844 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 975 | ALA | 0 | 0.003 | 0.016 | 31.290 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 976 | ILE | 0 | -0.007 | -0.014 | 25.768 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 977 | VAL | 0 | 0.010 | -0.012 | 25.828 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 978 | PHE | 0 | 0.020 | 0.011 | 26.081 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 979 | PRO | 0 | 0.037 | 0.014 | 21.819 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 980 | MET | 0 | 0.019 | 0.022 | 21.338 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 981 | MET | 0 | 0.015 | 0.013 | 22.559 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 982 | VAL | 0 | -0.015 | -0.001 | 20.597 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 983 | LEU | 0 | 0.017 | 0.009 | 17.275 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 984 | ALA | 0 | 0.036 | 0.019 | 20.672 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 985 | LEU | 0 | -0.015 | -0.005 | 24.129 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 986 | VAL | 0 | -0.005 | 0.000 | 18.563 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 987 | PHE | 0 | -0.015 | -0.016 | 18.539 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 988 | VAL | 0 | 0.020 | 0.004 | 23.127 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 989 | ARG | 1 | 0.808 | 0.889 | 23.758 | 12.409 | 12.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 990 | LYS | 1 | 0.991 | 1.009 | 21.949 | 12.541 | 12.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 991 | VAL | 0 | -0.024 | -0.016 | 24.582 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 992 | MET | 0 | -0.017 | -0.003 | 28.027 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 993 | ASP | -1 | -0.935 | -0.967 | 24.705 | -12.219 | -12.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 994 | LEU | 0 | -0.048 | -0.030 | 27.535 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 995 | CYS | 0 | -0.064 | -0.014 | 31.061 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 996 | PHE | 0 | -0.015 | -0.009 | 32.246 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 997 | SER | 0 | 0.005 | -0.017 | 32.473 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 998 | LYS | 1 | 1.020 | 0.982 | 25.646 | 11.823 | 11.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 999 | ARG | 1 | 0.898 | 0.962 | 27.714 | 10.563 | 10.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 1000 | GLU | -1 | -0.766 | -0.848 | 32.180 | -8.683 | -8.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 1001 | LEU | 0 | 0.087 | 0.041 | 29.029 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 1002 | SER | 0 | -0.114 | -0.058 | 28.350 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 1003 | TRP | 0 | -0.025 | -0.033 | 29.296 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 1004 | LEU | 0 | 0.014 | 0.014 | 30.223 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 1005 | ASP | -1 | -0.730 | -0.840 | 25.336 | -11.876 | -11.876 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 1006 | ASP | -1 | -0.903 | -0.944 | 25.017 | -11.689 | -11.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 1007 | LEU | 0 | 0.063 | 0.031 | 19.266 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 1008 | MET | 0 | -0.111 | -0.066 | 22.855 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 1009 | PRO | 0 | 0.048 | 0.033 | 25.784 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 1010 | GLU | -1 | -0.773 | -0.899 | 28.843 | -9.172 | -9.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 1011 | SER | 0 | 0.000 | 0.010 | 32.011 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 1012 | LYS | 1 | 0.920 | 0.944 | 26.123 | 12.078 | 12.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 1013 | LYS | 1 | 0.929 | 0.970 | 30.170 | 10.541 | 10.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 1014 | LYS | 1 | 0.908 | 0.949 | 33.466 | 8.176 | 8.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 1015 | LYS | 1 | 0.955 | 0.971 | 34.297 | 9.080 | 9.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 1016 | LEU | 0 | -0.049 | -0.015 | 31.166 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 1017 | ASP | -1 | -0.891 | -0.947 | 35.821 | -8.224 | -8.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 1018 | ASP | -1 | -0.844 | -0.934 | 38.558 | -7.780 | -7.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 1019 | ALA | 0 | -0.058 | -0.017 | 38.283 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 1020 | LYS | 1 | 0.827 | 0.918 | 36.719 | 8.528 | 8.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 1021 | LYS | 0 | 0.060 | 0.053 | 41.174 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |