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: 9LKJ2
Calculation Name: 1MIU-A-Xray547
Preferred Name:
Target Type:
Ligand Name: mercury (ii) ion
Ligand 3-letter code: HG
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1MIU
Chain ID: A
UniProt ID: P97929
Base Structure: X-ray
Registration Date: 2025-10-03
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 | 671 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -13031483.692001 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12766893.779682 |
| FMO2-HF: Total energy | -264589.912318 |
| FMO2-MP2: Total energy | -265367.468547 |
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:2399:LYS)
Summations of interaction energy for
fragment #1(A:2399:LYS)
| 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. |
| 46.648 | 52.704 | 3.65 | -3.917 | -5.791 | -0.043 |
Interaction energy analysis for fragmet #1(A:2399:LYS)
| 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 | 2401 | LEU | 0 | 0.031 | 0.008 | 3.757 | -0.506 | 1.057 | -0.012 | -0.683 | -0.868 | 0.000 |
| 4 | A | 2402 | MET | 0 | -0.019 | -0.013 | 4.350 | 2.831 | 3.359 | 0.014 | -0.145 | -0.398 | -0.001 |
| 7 | A | 2405 | LEU | 0 | 0.041 | 0.033 | 4.761 | 3.553 | 3.639 | -0.001 | -0.005 | -0.079 | 0.000 |
| 87 | A | 2485 | ILE | 0 | -0.075 | -0.048 | 3.857 | 0.169 | 0.414 | 0.001 | -0.036 | -0.210 | 0.000 |
| 88 | A | 2486 | GLN | 0 | -0.020 | -0.024 | 2.160 | -38.680 | -37.190 | 3.357 | -2.262 | -2.586 | -0.035 |
| 96 | A | 2494 | LEU | 0 | -0.105 | -0.051 | 3.478 | -6.571 | -6.191 | 0.012 | -0.107 | -0.285 | -0.001 |
| 115 | A | 2513 | ASP | -1 | -0.843 | -0.901 | 3.862 | -76.742 | -76.236 | 0.003 | -0.148 | -0.361 | -0.001 |
| 116 | A | 2514 | GLY | 0 | -0.061 | -0.023 | 2.765 | -14.857 | -13.665 | 0.253 | -0.589 | -0.857 | -0.005 |
| 117 | A | 2515 | LYS | 1 | 0.928 | 0.969 | 3.537 | 62.165 | 62.231 | 0.023 | 0.058 | -0.147 | 0.000 |
| 5 | A | 2403 | SER | 0 | 0.008 | 0.014 | 6.716 | 2.189 | 2.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 2404 | SER | 0 | -0.001 | -0.021 | 7.436 | 4.758 | 4.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 2406 | GLN | 0 | -0.044 | -0.027 | 9.140 | 2.442 | 2.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 2407 | SER | 0 | -0.023 | -0.010 | 11.639 | 3.238 | 3.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 2408 | ALA | 0 | 0.003 | -0.006 | 11.185 | 2.818 | 2.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 2409 | ARG | 1 | 0.835 | 0.896 | 8.574 | 58.392 | 58.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 2410 | ASP | -1 | -0.784 | -0.880 | 14.888 | -32.349 | -32.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 2411 | LEU | 0 | -0.015 | -0.017 | 16.049 | 2.240 | 2.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 2412 | GLN | 0 | -0.095 | -0.065 | 15.827 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 2413 | ASP | -1 | -0.805 | -0.901 | 17.859 | -31.910 | -31.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 2414 | MET | 0 | -0.029 | -0.009 | 20.425 | 1.859 | 1.859 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 2415 | ARG | 1 | 0.827 | 0.905 | 16.619 | 33.671 | 33.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 2416 | ILE | 0 | -0.031 | -0.010 | 20.138 | 1.289 | 1.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 2417 | LYS | 1 | 1.003 | 1.015 | 24.078 | 23.334 | 23.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 2418 | ASN | 0 | -0.065 | -0.060 | 26.066 | 1.158 | 1.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 2419 | LYS | 1 | 0.740 | 0.871 | 24.187 | 26.151 | 26.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 2420 | GLU | -1 | -0.886 | -0.948 | 27.115 | -22.036 | -22.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 2421 | ARG | 1 | 0.889 | 0.957 | 29.977 | 18.759 | 18.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 2422 | ARG | 1 | 0.876 | 0.941 | 30.635 | 20.185 | 20.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 2423 | HIS | 0 | 0.073 | 0.037 | 33.995 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 2424 | LEU | 0 | -0.009 | -0.015 | 30.529 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 2425 | ARG | 1 | 0.933 | 0.981 | 34.677 | 16.903 | 16.903 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 2426 | LEU | 0 | 0.057 | 0.029 | 33.510 | -0.518 | -0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 2427 | GLN | 0 | 0.009 | -0.011 | 29.791 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 2428 | PRO | 0 | -0.011 | 0.004 | 30.792 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 2429 | GLY | 0 | 0.069 | 0.040 | 28.512 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 2430 | SER | 0 | -0.002 | -0.007 | 27.141 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 2431 | LEU | 0 | -0.061 | -0.031 | 26.032 | 0.977 | 0.977 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 2432 | TYR | 0 | 0.036 | 0.024 | 29.873 | 0.753 | 0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 2433 | LEU | 0 | 0.024 | 0.009 | 32.534 | 0.748 | 0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 2434 | THR | 0 | -0.023 | -0.012 | 31.742 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 2435 | LYS | 1 | 0.834 | 0.919 | 30.912 | 20.360 | 20.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 2436 | SER | 0 | -0.042 | -0.016 | 35.589 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 2437 | SER | 0 | -0.017 | 0.006 | 37.762 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 2438 | THR | 0 | 0.035 | -0.003 | 39.913 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 2439 | LEU | 0 | -0.021 | 0.004 | 35.927 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 2440 | PRO | 0 | 0.006 | 0.002 | 38.798 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 2441 | ARG | 1 | 0.931 | 0.973 | 35.488 | 16.674 | 16.674 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 2442 | ILE | 0 | 0.078 | 0.039 | 35.240 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 2443 | SER | 0 | -0.047 | -0.022 | 36.515 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 2444 | LEU | 0 | 0.002 | -0.019 | 31.959 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 2445 | GLN | 0 | 0.014 | 0.008 | 35.433 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 2446 | ALA | 0 | 0.089 | 0.039 | 38.060 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 2447 | ALA | 0 | -0.033 | -0.013 | 33.529 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 2448 | VAL | 0 | -0.031 | -0.016 | 34.008 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 2449 | GLY | 0 | -0.015 | 0.008 | 36.164 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 2450 | ASP | -1 | -0.952 | -0.979 | 39.516 | -14.536 | -14.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 2451 | ARG | 1 | 0.944 | 0.965 | 38.830 | 15.597 | 15.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 2452 | ALA | 0 | -0.013 | 0.003 | 35.945 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 2453 | PRO | 0 | 0.011 | -0.013 | 32.458 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 2454 | SER | 0 | -0.042 | -0.012 | 32.703 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 2455 | ALA | 0 | -0.022 | -0.006 | 29.998 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 2456 | CYS | 0 | -0.003 | 0.001 | 31.522 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 2457 | SER | 0 | 0.073 | 0.032 | 30.451 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 2458 | PRO | 0 | 0.023 | 0.025 | 26.634 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 2459 | LYS | 1 | 0.843 | 0.936 | 24.569 | 23.343 | 23.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 2460 | GLN | 0 | -0.009 | -0.002 | 28.336 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 2461 | LEU | 0 | 0.079 | 0.027 | 26.636 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 2462 | TYR | 0 | -0.007 | -0.023 | 22.354 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 2463 | ILE | 0 | -0.005 | 0.007 | 23.469 | -0.848 | -0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 2464 | TYR | 0 | 0.021 | 0.001 | 24.489 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 2465 | GLY | 0 | 0.021 | 0.033 | 20.965 | -0.697 | -0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 2466 | VAL | 0 | -0.028 | -0.028 | 20.071 | 1.621 | 1.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 2467 | SER | 0 | 0.022 | 0.010 | 15.360 | -1.999 | -1.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 2468 | LYS | 1 | 0.907 | 0.945 | 13.444 | 40.447 | 40.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 2469 | GLU | -1 | -0.755 | -0.853 | 12.488 | -40.348 | -40.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 2470 | CYS | 0 | -0.090 | -0.044 | 15.614 | 2.043 | 2.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 2471 | ILE | 0 | 0.002 | -0.021 | 17.626 | 1.303 | 1.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 2472 | ASN | 0 | -0.055 | -0.009 | 18.631 | 2.329 | 2.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 2473 | VAL | 0 | -0.014 | 0.016 | 18.689 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 2474 | ASN | 0 | 0.021 | -0.011 | 20.725 | 1.680 | 1.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 2475 | SER | 0 | -0.035 | -0.022 | 23.251 | -0.660 | -0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 2476 | LYS | 1 | 0.865 | 0.912 | 25.162 | 21.355 | 21.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 2477 | ASN | 0 | 0.062 | 0.028 | 19.276 | 0.939 | 0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 2478 | ALA | 0 | 0.015 | 0.009 | 19.247 | -1.574 | -1.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 2479 | GLU | -1 | -0.848 | -0.914 | 19.269 | -27.472 | -27.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 2480 | TYR | 0 | -0.030 | -0.017 | 16.558 | -1.115 | -1.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 2481 | PHE | 0 | -0.022 | -0.022 | 12.801 | -1.390 | -1.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 2482 | GLN | 0 | -0.005 | -0.004 | 10.033 | -3.727 | -3.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 2483 | PHE | 0 | -0.042 | -0.026 | 10.180 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 2484 | ASP | -1 | -0.848 | -0.918 | 5.960 | -71.432 | -71.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 2487 | ASP | -1 | -0.892 | -0.945 | 5.668 | -59.051 | -59.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 2488 | HIS | 0 | -0.049 | -0.037 | 8.837 | 5.933 | 5.933 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 2489 | PHE | 0 | 0.003 | 0.010 | 9.348 | 3.560 | 3.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 2490 | GLY | 0 | 0.029 | 0.033 | 9.989 | 1.616 | 1.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 2491 | LYS | 1 | 0.888 | 0.913 | 6.976 | 51.217 | 51.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 2492 | GLU | -1 | -0.922 | -0.937 | 8.699 | -42.133 | -42.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 2493 | ASP | -1 | -0.812 | -0.916 | 10.567 | -44.851 | -44.851 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 2495 | CYS | 0 | -0.020 | -0.001 | 5.417 | -8.303 | -8.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 2496 | ALA | 0 | -0.002 | 0.010 | 7.974 | 2.616 | 2.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 2497 | GLY | 0 | 0.088 | 0.047 | 5.825 | -2.960 | -2.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 2498 | LYS | 1 | 0.816 | 0.922 | 6.716 | 43.452 | 43.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 2499 | GLY | 0 | -0.013 | -0.004 | 8.640 | 4.311 | 4.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 2500 | PHE | 0 | 0.038 | 0.009 | 7.458 | 1.509 | 1.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 2501 | GLN | 0 | -0.006 | -0.009 | 12.029 | 2.637 | 2.637 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 2502 | LEU | 0 | -0.007 | 0.018 | 15.507 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 2503 | ALA | 0 | 0.038 | 0.011 | 17.770 | 1.842 | 1.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 2504 | ASP | -1 | -0.836 | -0.930 | 21.398 | -24.306 | -24.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 2505 | GLY | 0 | -0.034 | 0.004 | 21.167 | 1.099 | 1.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 2506 | GLY | 0 | 0.012 | -0.002 | 19.668 | 0.592 | 0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 2507 | TRP | 0 | -0.029 | -0.035 | 13.029 | -0.834 | -0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 2508 | LEU | 0 | 0.027 | 0.021 | 11.336 | 0.482 | 0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 2509 | ILE | 0 | -0.012 | -0.009 | 9.912 | -3.422 | -3.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 2510 | PRO | 0 | 0.014 | 0.015 | 6.237 | 2.150 | 2.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 2511 | SER | 0 | 0.046 | 0.011 | 6.967 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 2512 | ASN | 0 | 0.036 | 0.015 | 5.610 | -10.634 | -10.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 2516 | ALA | 0 | 0.028 | 0.011 | 7.114 | -0.782 | -0.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 2517 | GLY | 0 | 0.003 | 0.004 | 10.174 | 2.292 | 2.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 2518 | LYS | 1 | 0.864 | 0.923 | 13.302 | 29.946 | 29.946 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 2519 | GLU | -1 | -0.804 | -0.892 | 14.701 | -30.530 | -30.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 2520 | GLU | -1 | -0.826 | -0.902 | 10.677 | -46.433 | -46.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 2521 | PHE | 0 | -0.005 | -0.014 | 13.928 | 1.279 | 1.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 2522 | TYR | 0 | 0.006 | 0.008 | 17.021 | 1.588 | 1.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 2523 | ARG | 1 | 0.878 | 0.929 | 16.027 | 32.683 | 32.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 2524 | ALA | 0 | 0.060 | 0.030 | 16.527 | 1.354 | 1.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 2525 | LEU | 0 | -0.026 | -0.001 | 18.410 | 1.522 | 1.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 2526 | CYS | 0 | -0.042 | -0.015 | 21.544 | 1.704 | 1.704 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 2527 | ASP | -1 | -0.749 | -0.849 | 18.283 | -31.034 | -31.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 2528 | THR | 0 | -0.033 | -0.019 | 21.548 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 2529 | PRO | 0 | -0.037 | -0.014 | 23.214 | 1.009 | 1.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 2530 | GLY | 0 | 0.005 | -0.002 | 26.372 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 2531 | VAL | 0 | -0.042 | -0.017 | 26.195 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 2532 | ASP | -1 | -0.824 | -0.925 | 28.427 | -20.261 | -20.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 2533 | PRO | 0 | 0.010 | -0.020 | 25.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 2534 | LYS | 1 | 0.887 | 0.962 | 27.517 | 18.918 | 18.918 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 2535 | LEU | 0 | -0.057 | -0.016 | 30.380 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 2536 | ILE | 0 | -0.033 | -0.006 | 24.488 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 2537 | SER | 0 | 0.042 | 0.007 | 25.544 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 2538 | SER | 0 | -0.015 | -0.009 | 20.191 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 2539 | ILE | 0 | 0.073 | 0.018 | 22.767 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 2540 | TRP | 0 | -0.012 | -0.015 | 25.145 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 2541 | VAL | 0 | -0.013 | -0.012 | 20.532 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 2542 | ALA | 0 | -0.006 | 0.004 | 21.310 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 2543 | ASN | 0 | 0.025 | 0.010 | 22.341 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 2544 | HIS | 0 | 0.017 | 0.015 | 25.106 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 2545 | TYR | 0 | -0.015 | 0.000 | 14.654 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 2546 | ARG | 1 | 0.899 | 0.946 | 21.162 | 21.677 | 21.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 2547 | TRP | 0 | -0.040 | -0.035 | 22.786 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 2548 | ILE | 0 | -0.074 | -0.043 | 21.958 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 2549 | VAL | 0 | 0.033 | 0.028 | 18.196 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 2550 | TRP | 0 | 0.033 | 0.015 | 20.978 | 0.702 | 0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 2551 | LYS | 1 | 0.847 | 0.916 | 23.484 | 22.877 | 22.877 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 2552 | LEU | 0 | -0.010 | -0.017 | 20.918 | 0.740 | 0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 2553 | ALA | 0 | 0.083 | 0.036 | 20.668 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 2554 | ALA | 0 | -0.019 | -0.011 | 22.199 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 2555 | MET | 0 | -0.115 | -0.056 | 25.541 | 0.757 | 0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 2556 | GLU | -1 | -0.793 | -0.892 | 19.827 | -29.239 | -29.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 2557 | PHE | 0 | -0.057 | -0.023 | 24.341 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 2558 | ALA | 0 | 0.008 | 0.005 | 26.205 | 0.789 | 0.789 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 2559 | PHE | 0 | -0.011 | -0.015 | 28.930 | 0.720 | 0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 2560 | PRO | 0 | 0.044 | 0.010 | 25.997 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 2561 | LYS | 1 | 0.909 | 0.964 | 27.129 | 17.757 | 17.757 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 2562 | GLU | -1 | -0.889 | -0.929 | 29.775 | -19.571 | -19.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 2563 | PHE | 0 | -0.088 | -0.053 | 25.946 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 2564 | ALA | 0 | 0.092 | 0.047 | 23.048 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 2565 | ASN | 0 | 0.057 | 0.002 | 16.929 | 1.618 | 1.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 2566 | ARG | 1 | 0.873 | 0.944 | 19.355 | 21.620 | 21.620 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 2567 | CYS | 0 | -0.116 | -0.044 | 21.900 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 2568 | LEU | 0 | 0.039 | 0.012 | 16.505 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 2569 | ASN | 0 | 0.028 | 0.025 | 15.950 | -1.691 | -1.691 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 2570 | PRO | 0 | 0.043 | 0.011 | 12.771 | 2.001 | 2.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 2571 | GLU | -1 | -0.817 | -0.926 | 15.635 | -33.118 | -33.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 2572 | ARG | 1 | 0.905 | 0.956 | 18.616 | 27.202 | 27.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 2573 | VAL | 0 | -0.004 | 0.003 | 17.692 | 1.601 | 1.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 2574 | LEU | 0 | 0.054 | 0.026 | 18.191 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 2575 | LEU | 0 | 0.012 | 0.011 | 20.364 | 1.643 | 1.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 2576 | GLN | 0 | -0.024 | -0.007 | 23.161 | 2.041 | 2.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 2577 | LEU | 0 | 0.009 | 0.008 | 19.989 | 1.103 | 1.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 2578 | LYS | 1 | 0.837 | 0.933 | 24.064 | 22.717 | 22.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 2579 | TYR | 0 | -0.045 | -0.021 | 26.087 | 1.165 | 1.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 2580 | ARG | 1 | 0.777 | 0.865 | 27.205 | 22.404 | 22.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 2581 | TYR | 0 | 0.079 | 0.060 | 27.942 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 2582 | ASP | -1 | -0.724 | -0.860 | 29.697 | -20.316 | -20.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 2583 | VAL | 0 | -0.074 | -0.041 | 32.237 | 0.739 | 0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 2584 | GLU | -1 | -0.780 | -0.863 | 32.459 | -18.729 | -18.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 2585 | ILE | 0 | -0.033 | -0.015 | 31.026 | 0.477 | 0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 2586 | ASP | -1 | -0.934 | -0.946 | 34.075 | -17.527 | -17.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 2587 | ASN | 0 | -0.041 | -0.046 | 35.626 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 2588 | SER | 0 | -0.030 | 0.007 | 37.242 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 2589 | ARG | 1 | 0.894 | 0.937 | 36.787 | 17.080 | 17.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 2590 | ARG | 1 | 0.823 | 0.884 | 36.777 | 14.590 | 14.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 2591 | SER | 0 | -0.036 | -0.048 | 35.023 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 2592 | ALA | 0 | -0.024 | 0.000 | 37.180 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 2593 | LEU | 0 | 0.001 | -0.006 | 35.659 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 2594 | LYS | 1 | 0.879 | 0.965 | 34.407 | 17.941 | 17.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 2595 | LYS | 1 | 0.890 | 0.940 | 37.856 | 14.736 | 14.736 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 2596 | ILE | 0 | -0.088 | -0.032 | 41.415 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 2597 | LEU | 0 | -0.015 | -0.012 | 38.213 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 2598 | GLU | -1 | -0.794 | -0.908 | 37.981 | -16.227 | -16.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 2599 | ARG | 1 | 0.870 | 0.941 | 41.875 | 13.459 | 13.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 2600 | ASP | -1 | -0.775 | -0.860 | 44.401 | -13.642 | -13.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 2601 | ASP | -1 | -0.856 | -0.930 | 44.997 | -13.439 | -13.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 2602 | THR | 0 | -0.009 | -0.003 | 46.121 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 2603 | ALA | 0 | 0.004 | 0.019 | 47.117 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 2604 | ALA | 0 | 0.031 | 0.016 | 45.385 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 2605 | LYS | 1 | 0.811 | 0.896 | 46.627 | 13.245 | 13.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 2606 | THR | 0 | -0.015 | -0.026 | 46.499 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 2607 | LEU | 0 | 0.046 | 0.047 | 41.199 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 2608 | VAL | 0 | -0.043 | -0.025 | 39.017 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 2609 | LEU | 0 | 0.001 | 0.007 | 37.459 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 2610 | CYS | 0 | -0.033 | -0.021 | 32.800 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 2611 | ILE | 0 | -0.012 | 0.016 | 34.708 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 2612 | SER | 0 | -0.009 | -0.029 | 29.864 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 2613 | ASP | -1 | -0.751 | -0.860 | 29.850 | -20.502 | -20.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 2614 | ILE | -1 | -0.830 | -0.900 | 31.597 | -16.813 | -16.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 2637 | VAL | 1 | 0.744 | 0.859 | 35.901 | 16.750 | 16.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 2638 | ASP | -1 | -0.820 | -0.917 | 37.905 | -14.565 | -14.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 2639 | THR | 0 | -0.063 | -0.007 | 39.501 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 2640 | ILE | 0 | 0.020 | 0.003 | 36.339 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 2641 | GLU | -1 | -0.853 | -0.917 | 30.765 | -19.370 | -19.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 2642 | LEU | 0 | -0.043 | -0.008 | 34.324 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 2643 | THR | 0 | 0.038 | 0.011 | 30.889 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 2644 | ASP | -1 | -0.720 | -0.848 | 33.815 | -17.428 | -17.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 2645 | GLY | 0 | -0.037 | -0.029 | 30.675 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 2646 | TRP | 0 | -0.068 | -0.024 | 29.725 | -1.022 | -1.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 2647 | TYR | 0 | 0.031 | -0.036 | 30.170 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 2648 | ALA | 0 | 0.006 | 0.007 | 31.564 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 2649 | VAL | 0 | 0.062 | 0.042 | 33.285 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 2650 | ARG | 1 | 0.879 | 0.951 | 34.424 | 17.204 | 17.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 2651 | ALA | 0 | -0.006 | 0.004 | 37.510 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 2652 | GLN | 0 | 0.004 | -0.012 | 40.499 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 2653 | LEU | 0 | -0.017 | -0.002 | 41.154 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 2654 | ASP | -1 | -0.718 | -0.863 | 45.020 | -12.568 | -12.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 2655 | PRO | 0 | 0.056 | 0.010 | 47.564 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 2656 | PRO | 0 | -0.018 | -0.004 | 48.653 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 2657 | LEU | 0 | -0.019 | -0.009 | 44.228 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 2658 | MET | 0 | 0.003 | 0.013 | 44.054 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 2659 | ALA | 0 | 0.008 | 0.006 | 44.191 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 2660 | LEU | 0 | -0.017 | -0.003 | 44.023 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 2661 | VAL | 0 | 0.003 | 0.007 | 38.553 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 2662 | LYS | 1 | 0.953 | 0.983 | 40.287 | 13.279 | 13.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 2663 | SER | 0 | -0.056 | -0.032 | 42.433 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 2664 | GLY | 0 | 0.022 | 0.022 | 39.040 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 2665 | LYS | 1 | 0.895 | 0.940 | 39.756 | 13.730 | 13.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 2666 | LEU | 0 | -0.025 | -0.010 | 38.978 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 2667 | THR | 0 | 0.034 | 0.017 | 33.814 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 2668 | VAL | 0 | 0.005 | -0.004 | 29.966 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 2669 | GLY | 0 | 0.031 | 0.004 | 31.307 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 2670 | GLN | 0 | -0.050 | -0.013 | 32.003 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 2671 | LYS | 1 | 0.895 | 0.936 | 33.602 | 17.658 | 17.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 2672 | ILE | 0 | -0.011 | 0.001 | 37.813 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 2673 | ILE | 0 | 0.009 | -0.001 | 41.239 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 2674 | THR | 0 | 0.029 | 0.009 | 43.314 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 2675 | GLN | 0 | -0.008 | -0.001 | 45.814 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 2676 | GLY | 0 | -0.023 | 0.005 | 48.701 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 2677 | ALA | 0 | 0.003 | 0.001 | 45.784 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 2678 | GLU | -1 | -0.889 | -0.943 | 47.305 | -12.072 | -12.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 2679 | LEU | 0 | 0.010 | 0.008 | 42.767 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 2680 | VAL | 0 | 0.018 | 0.005 | 45.578 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 2681 | GLY | 0 | 0.048 | 0.011 | 44.873 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 2682 | SER | 0 | -0.050 | -0.029 | 44.500 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 2683 | PRO | 0 | 0.029 | 0.037 | 44.116 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 2684 | ASP | -1 | -0.870 | -0.952 | 46.318 | -12.859 | -12.859 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 2685 | ALA | 0 | -0.053 | -0.038 | 42.299 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 2686 | CYS | 0 | -0.003 | 0.025 | 38.528 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 2687 | ALA | 0 | 0.066 | 0.037 | 34.887 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 2688 | PRO | 0 | -0.037 | -0.039 | 34.145 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 2689 | LEU | 0 | -0.081 | -0.044 | 28.954 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 2690 | GLU | -1 | -0.898 | -0.941 | 31.824 | -17.807 | -17.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 2691 | ALA | 0 | -0.035 | -0.014 | 34.553 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 2692 | PRO | 0 | 0.039 | 0.016 | 35.779 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 2693 | ASP | -1 | -0.889 | -0.933 | 34.942 | -16.848 | -16.848 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 2694 | SER | 0 | 0.017 | -0.005 | 37.012 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 2695 | LEU | 0 | -0.016 | 0.009 | 39.973 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 2696 | ARG | 1 | 0.870 | 0.920 | 38.681 | 15.149 | 15.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 2697 | LEU | 0 | -0.001 | 0.013 | 41.265 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 2698 | LYS | 1 | 0.875 | 0.927 | 43.225 | 12.262 | 12.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 2699 | ILE | 0 | -0.027 | -0.013 | 42.006 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 2700 | SER | 0 | 0.010 | -0.003 | 45.742 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 2701 | ALA | 0 | 0.021 | 0.031 | 48.488 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 2702 | ASN | 0 | -0.044 | -0.025 | 49.492 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 2703 | SER | 0 | -0.049 | -0.047 | 50.686 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 2704 | THR | 0 | 0.032 | -0.013 | 44.557 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 2705 | ARG | 1 | 0.815 | 0.907 | 46.408 | 12.542 | 12.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 2706 | PRO | 0 | 0.031 | 0.011 | 42.086 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 2707 | ALA | 0 | -0.005 | 0.005 | 40.394 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 2708 | ARG | 1 | 0.918 | 0.960 | 40.608 | 13.619 | 13.619 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 2709 | TRP | 0 | 0.090 | 0.042 | 33.609 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 2710 | HIS | 0 | 0.025 | 0.042 | 35.749 | -0.712 | -0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 2711 | SER | 0 | -0.017 | -0.045 | 37.485 | 0.577 | 0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 2712 | ARG | 1 | 0.909 | 0.950 | 37.507 | 15.614 | 15.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 2713 | LEU | 0 | -0.001 | 0.029 | 32.971 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 2714 | GLY | 0 | 0.042 | 0.017 | 37.088 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 2715 | PHE | 0 | 0.006 | 0.005 | 39.291 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 2716 | PHE | 0 | -0.027 | -0.018 | 42.807 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 2717 | ARG | 1 | 0.919 | 0.964 | 44.860 | 13.621 | 13.621 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 2718 | ASP | -1 | -0.858 | -0.930 | 47.217 | -11.762 | -11.762 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 2719 | PRO | 0 | 0.001 | -0.001 | 50.011 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 2720 | ARG | 1 | 0.916 | 0.961 | 51.472 | 11.447 | 11.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 2721 | PRO | 0 | 0.007 | 0.013 | 52.393 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 2722 | PHE | 0 | 0.023 | 0.007 | 48.240 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 2723 | PRO | 0 | -0.012 | -0.010 | 53.222 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 2724 | LEU | 0 | -0.040 | -0.033 | 52.237 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 2725 | PRO | 0 | -0.026 | -0.008 | 55.103 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 2726 | LEU | 0 | 0.088 | 0.029 | 57.406 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 2727 | SER | 0 | -0.014 | -0.016 | 58.260 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 2728 | SER | 0 | -0.064 | -0.035 | 53.464 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 2729 | LEU | 0 | -0.036 | 0.003 | 54.147 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 2730 | PHE | 0 | -0.020 | -0.017 | 49.855 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 2731 | SER | 0 | -0.027 | -0.042 | 55.463 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 2732 | ASP | -1 | -0.867 | -0.925 | 53.051 | -11.468 | -11.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 2733 | GLY | 0 | 0.015 | -0.002 | 52.553 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 2734 | GLY | 0 | 0.040 | 0.017 | 52.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 2735 | ASN | 0 | -0.008 | -0.008 | 53.179 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 2736 | VAL | 0 | 0.023 | 0.039 | 54.140 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 2737 | GLY | 0 | 0.020 | 0.016 | 54.354 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 2738 | CYS | 0 | -0.078 | -0.034 | 55.338 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 2739 | VAL | 0 | 0.002 | 0.017 | 57.132 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 2740 | ASP | -1 | -0.783 | -0.846 | 59.809 | -10.080 | -10.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 2741 | ILE | 0 | -0.049 | -0.029 | 61.847 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 2742 | ILE | 0 | 0.027 | 0.019 | 65.062 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 2743 | VAL | 0 | -0.007 | -0.006 | 68.767 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 2744 | GLN | 0 | -0.020 | -0.022 | 70.387 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 2745 | ARG | 1 | 0.839 | 0.905 | 72.805 | 8.347 | 8.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 2746 | VAL | 0 | -0.005 | -0.006 | 74.172 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 2747 | TYR | 0 | -0.072 | -0.055 | 74.315 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 2748 | PRO | 0 | 0.054 | 0.039 | 78.616 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 2749 | LEU | 0 | -0.028 | -0.022 | 77.806 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 2750 | GLN | 0 | -0.036 | -0.020 | 77.720 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 2751 | TRP | 0 | 0.050 | 0.012 | 78.897 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 2752 | VAL | 0 | -0.083 | -0.028 | 74.763 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 2753 | GLU | -1 | -0.713 | -0.836 | 78.224 | -7.710 | -7.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 2754 | LYS | 1 | 0.783 | 0.886 | 72.469 | 8.528 | 8.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 2755 | THR | 0 | 0.010 | -0.017 | 76.849 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 2756 | VAL | 0 | 0.022 | -0.005 | 77.051 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 2757 | SER | 0 | -0.040 | 0.007 | 76.697 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 2758 | GLY | 0 | 0.057 | 0.021 | 74.011 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 2759 | LEU | 0 | -0.033 | 0.002 | 73.572 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 2760 | TYR | 0 | -0.024 | -0.013 | 69.807 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 2761 | ILE | 0 | 0.023 | 0.022 | 75.860 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 2762 | PHE | 0 | -0.053 | -0.039 | 73.727 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 2763 | ARG | 1 | 0.829 | 0.914 | 79.806 | 7.664 | 7.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 2764 | SER | 0 | 0.016 | -0.021 | 82.240 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 2765 | GLU | -1 | -0.915 | -0.968 | 84.428 | -7.360 | -7.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 2766 | ARG | 1 | 0.895 | 0.927 | 86.182 | 7.107 | 7.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 2767 | GLU | -1 | -0.779 | -0.864 | 85.876 | -7.413 | -7.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 2768 | GLU | -1 | -0.800 | -0.908 | 83.828 | -7.609 | -7.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 2769 | GLU | -1 | -0.820 | -0.896 | 86.432 | -7.056 | -7.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 2770 | LYS | 1 | 0.932 | 0.981 | 89.704 | 6.915 | 6.915 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 2771 | GLU | -1 | -0.865 | -0.934 | 86.379 | -7.253 | -7.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 2772 | ALA | 0 | 0.005 | -0.004 | 87.543 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 2773 | LEU | 0 | 0.016 | 0.025 | 89.103 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 2774 | ARG | 1 | 0.907 | 0.954 | 88.803 | 7.157 | 7.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 2775 | PHE | 0 | -0.054 | -0.035 | 86.346 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 2776 | ALA | 0 | 0.020 | 0.007 | 90.804 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 2777 | GLU | -1 | -0.891 | -0.947 | 92.223 | -6.581 | -6.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 2778 | ALA | 0 | -0.064 | -0.034 | 92.940 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 2779 | GLN | 0 | -0.102 | -0.084 | 88.087 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 2780 | GLN | 0 | 0.011 | 0.020 | 92.435 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 2781 | LYS | 1 | 0.996 | 0.994 | 95.312 | 6.487 | 6.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 2782 | LYS | 1 | 0.890 | 0.944 | 93.241 | 6.854 | 6.854 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 2783 | LEU | 0 | 0.045 | 0.031 | 92.193 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 2784 | GLU | -1 | -0.882 | -0.929 | 95.608 | -6.318 | -6.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 2785 | ALA | 0 | -0.049 | -0.014 | 98.115 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 2786 | LEU | 0 | -0.050 | -0.019 | 93.371 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 2787 | PHE | 0 | 0.043 | 0.021 | 96.059 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 2788 | THR | 0 | -0.023 | -0.028 | 100.782 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 2789 | LYS | 1 | 0.916 | 0.947 | 98.950 | 6.519 | 6.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 2790 | VAL | 0 | 0.004 | 0.014 | 100.183 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 2791 | HIS | 0 | 0.021 | 0.019 | 103.446 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 2792 | THR | 0 | -0.055 | -0.034 | 106.281 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 2793 | GLU | -1 | -0.964 | -0.984 | 104.271 | -6.189 | -6.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 2794 | PHE | 0 | -0.080 | -0.038 | 105.943 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 2795 | LYS | 0 | 0.019 | 0.025 | 110.365 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 2808 | SER | 0 | 0.077 | 0.045 | 134.295 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 2809 | ARG | 1 | 0.926 | 0.947 | 135.152 | 4.748 | 4.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 2810 | THR | 0 | 0.013 | -0.006 | 135.499 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 2811 | LEU | 0 | 0.097 | 0.056 | 131.899 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 2812 | THR | 0 | 0.005 | 0.000 | 134.311 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 2813 | ARG | 1 | 0.925 | 0.950 | 130.171 | 4.917 | 4.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 2814 | GLN | 0 | -0.003 | -0.007 | 130.389 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 2815 | GLN | 0 | 0.019 | 0.011 | 129.042 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 2816 | VAL | 0 | 0.004 | 0.001 | 128.849 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 2817 | HIS | 0 | -0.054 | -0.012 | 123.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 2818 | ALA | 0 | 0.026 | 0.012 | 124.386 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 2819 | LEU | 0 | -0.088 | -0.042 | 124.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 2820 | GLN | 0 | 0.019 | 0.002 | 121.572 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 2821 | ASP | -1 | -0.823 | -0.894 | 116.388 | -5.596 | -5.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 2822 | GLY | 0 | 0.039 | 0.012 | 116.813 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 2823 | ALA | 0 | -0.059 | -0.042 | 114.624 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 2824 | GLU | -1 | -0.922 | -0.982 | 116.578 | -5.302 | -5.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 2825 | LEU | 0 | -0.014 | 0.012 | 120.005 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 2826 | TYR | 0 | -0.001 | -0.007 | 116.606 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 2827 | ALA | 0 | -0.023 | -0.009 | 119.258 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 2828 | ALA | 0 | -0.027 | -0.017 | 120.798 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 2829 | VAL | 0 | 0.005 | 0.010 | 122.801 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 2830 | GLN | 0 | -0.051 | -0.034 | 119.384 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 2831 | TYR | 0 | -0.088 | -0.036 | 122.812 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 2832 | ALA | 0 | 0.007 | 0.022 | 124.954 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 2833 | SER | 0 | -0.037 | -0.034 | 128.025 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 2834 | ASP | -1 | -0.865 | -0.923 | 131.055 | -4.842 | -4.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 2835 | PRO | 0 | 0.030 | 0.017 | 127.566 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 2836 | ASP | -1 | -0.881 | -0.954 | 127.175 | -5.068 | -5.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 2837 | HIS | 1 | 0.810 | 0.882 | 128.658 | 4.886 | 4.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 2838 | LEU | 0 | -0.022 | 0.016 | 128.053 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 2839 | GLU | -1 | -0.762 | -0.861 | 123.937 | -5.250 | -5.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 2840 | ALA | 0 | -0.008 | 0.004 | 127.569 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 2841 | CYS | 0 | -0.100 | -0.046 | 130.355 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 2842 | PHE | 0 | 0.010 | 0.011 | 124.648 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 2843 | SER | 0 | 0.009 | -0.012 | 127.156 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 2844 | GLU | -1 | -0.811 | -0.901 | 125.641 | -5.118 | -5.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 2845 | GLU | -1 | -0.956 | -0.995 | 120.968 | -5.357 | -5.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 2846 | GLN | 0 | 0.031 | 0.017 | 121.004 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 2847 | LEU | 0 | 0.070 | 0.045 | 122.088 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 2848 | ARG | 1 | 0.860 | 0.920 | 118.716 | 5.312 | 5.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 2849 | ALA | 0 | 0.039 | 0.042 | 117.413 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 2850 | LEU | 0 | 0.041 | 0.028 | 117.095 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 2851 | ASN | 0 | -0.022 | -0.030 | 117.455 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 2852 | ASN | 0 | -0.043 | -0.023 | 113.008 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 2853 | TYR | 0 | 0.017 | 0.012 | 112.463 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 2854 | ARG | 1 | 0.785 | 0.856 | 113.444 | 5.325 | 5.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 2855 | GLN | 0 | -0.010 | -0.017 | 109.412 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 2856 | MET | 0 | -0.030 | 0.001 | 108.688 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 2857 | LEU | 0 | 0.026 | 0.010 | 108.489 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 2858 | ASN | 0 | 0.005 | 0.016 | 109.476 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 2859 | ASP | -1 | -0.881 | -0.941 | 105.480 | -6.104 | -6.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 2860 | LYS | 1 | 0.913 | 0.974 | 103.821 | 6.046 | 6.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 2861 | LYS | 1 | 0.915 | 0.946 | 104.904 | 5.816 | 5.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 2862 | GLN | 0 | 0.014 | 0.013 | 103.597 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 2863 | ALA | 0 | 0.028 | 0.015 | 100.957 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 2864 | ARG | 1 | 0.913 | 0.970 | 100.100 | 6.310 | 6.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 2865 | ILE | 0 | 0.059 | 0.028 | 101.432 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 2866 | GLN | 0 | -0.032 | -0.024 | 98.930 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 2867 | SER | 0 | -0.028 | -0.009 | 96.897 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 2868 | GLU | -1 | -0.841 | -0.923 | 96.903 | -6.616 | -6.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 2869 | PHE | 0 | 0.010 | 0.003 | 98.450 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 2870 | ARG | 1 | 0.952 | 0.992 | 89.505 | 6.999 | 6.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 2871 | LYS | 1 | 0.868 | 0.920 | 93.267 | 6.604 | 6.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 2872 | ALA | 0 | -0.019 | -0.001 | 93.772 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 2873 | LEU | 0 | 0.008 | -0.005 | 92.225 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 2874 | GLU | -1 | -0.945 | -0.970 | 88.640 | -7.266 | -7.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 2875 | SER | 0 | -0.076 | -0.048 | 89.114 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 2876 | ALA | 0 | -0.016 | -0.007 | 90.826 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 2877 | GLU | -1 | -0.815 | -0.920 | 87.703 | -7.122 | -7.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 2878 | LYS | 1 | 0.865 | 0.941 | 84.222 | 7.416 | 7.416 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 2879 | GLU | -1 | -0.902 | -0.946 | 86.435 | -7.196 | -7.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 2880 | GLU | -1 | -0.939 | -0.988 | 88.012 | -7.160 | -7.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 2881 | GLY | 0 | -0.001 | 0.018 | 84.884 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 2882 | LEU | 0 | -0.097 | -0.028 | 83.360 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 2883 | SER | 0 | -0.011 | -0.030 | 82.610 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 2884 | ARG | 1 | 0.734 | 0.846 | 82.221 | 7.513 | 7.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 2885 | ASP | -1 | -0.828 | -0.894 | 75.416 | -8.531 | -8.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 2886 | VAL | 0 | 0.007 | 0.008 | 78.509 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 2887 | THR | 0 | -0.058 | -0.036 | 73.906 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 2888 | THR | 0 | 0.024 | 0.012 | 76.614 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 2889 | VAL | 0 | -0.047 | -0.040 | 72.752 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 2890 | TRP | 0 | 0.045 | 0.035 | 73.916 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 2891 | LYS | 1 | 0.882 | 0.934 | 70.653 | 8.741 | 8.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 2892 | LEU | 0 | 0.058 | 0.033 | 70.982 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 2893 | ARG | 1 | 0.895 | 0.967 | 70.586 | 8.567 | 8.567 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 2894 | VAL | 0 | -0.008 | -0.004 | 66.214 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 2895 | THR | 0 | 0.039 | 0.026 | 66.000 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 2896 | SER | 0 | -0.002 | -0.015 | 61.395 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 2897 | TYR | 0 | 0.039 | 0.023 | 63.454 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 2898 | LYS | 1 | 0.888 | 0.945 | 56.809 | 11.002 | 11.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 2899 | LYS | 1 | 0.973 | 0.973 | 61.517 | 9.788 | 9.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 2900 | LYS | 1 | 0.945 | 0.986 | 62.809 | 9.656 | 9.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 2901 | GLU | -1 | -0.753 | -0.851 | 64.554 | -9.261 | -9.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 2902 | LYS | 1 | 0.922 | 0.966 | 59.430 | 10.370 | 10.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 2903 | SER | 0 | -0.056 | -0.049 | 64.728 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 2904 | ALA | 0 | -0.032 | 0.000 | 64.416 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 2905 | LEU | 0 | 0.015 | 0.002 | 66.531 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 2906 | LEU | 0 | -0.005 | 0.005 | 65.810 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 2907 | SER | 0 | -0.014 | -0.001 | 67.740 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 2908 | ILE | 0 | 0.000 | -0.012 | 68.354 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 2909 | TRP | 0 | 0.001 | 0.001 | 68.381 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 2910 | ARG | 1 | 0.922 | 0.965 | 70.166 | 8.778 | 8.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 2911 | PRO | 0 | 0.001 | 0.015 | 73.240 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 2912 | SER | 0 | 0.050 | 0.020 | 73.763 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 2913 | SER | 0 | 0.086 | 0.028 | 75.630 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 2914 | ASP | -1 | -0.892 | -0.934 | 74.672 | -8.414 | -8.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 2915 | LEU | 0 | -0.054 | -0.025 | 70.388 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 2916 | SER | 0 | 0.005 | -0.018 | 74.060 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 2917 | SER | 0 | -0.014 | 0.000 | 77.117 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 2918 | LEU | 0 | -0.036 | -0.006 | 70.429 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 2919 | LEU | 0 | -0.093 | -0.032 | 70.359 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 2920 | THR | 0 | 0.057 | 0.023 | 74.040 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 2921 | GLU | -1 | -0.765 | -0.888 | 74.727 | -8.252 | -8.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 2922 | GLY | 0 | 0.025 | 0.009 | 74.430 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 2923 | LYS | 1 | 0.889 | 0.955 | 72.190 | 8.418 | 8.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 2924 | ARG | 1 | 0.805 | 0.874 | 62.679 | 9.763 | 9.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 2925 | TYR | 0 | -0.007 | -0.023 | 66.872 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 2926 | ARG | 1 | 0.860 | 0.914 | 56.867 | 10.629 | 10.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 2927 | ILE | 0 | 0.017 | 0.015 | 62.651 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 2928 | TYR | 0 | -0.021 | -0.022 | 57.687 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 2929 | HIS | 0 | 0.012 | -0.008 | 55.139 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 2930 | LEU | 0 | 0.035 | 0.038 | 58.765 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 2931 | ALA | 0 | -0.043 | -0.044 | 58.879 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 2932 | VAL | 0 | -0.058 | -0.040 | 55.982 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 2933 | SER | 0 | 0.052 | 0.031 | 57.549 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 2934 | LYS | 1 | 1.012 | 1.041 | 59.566 | 9.907 | 9.907 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 2935 | SER | 0 | 0.011 | 0.000 | 61.388 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 2936 | LYS | 1 | 0.821 | 0.912 | 61.949 | 10.166 | 10.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 2937 | SER | 0 | -0.021 | -0.013 | 66.117 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 2938 | LYS | 1 | 0.972 | 0.981 | 68.841 | 8.592 | 8.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 2939 | PHE | 0 | 0.058 | 0.037 | 70.823 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 2940 | GLU | -1 | -0.846 | -0.904 | 66.823 | -9.400 | -9.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 2941 | ARG | 1 | 0.953 | 0.959 | 61.173 | 10.082 | 10.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 2942 | PRO | 0 | 0.017 | 0.016 | 62.707 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 2943 | SER | 0 | 0.023 | -0.012 | 63.703 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 2944 | ILE | 0 | -0.039 | -0.014 | 59.955 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 2945 | GLN | 0 | 0.020 | 0.014 | 63.260 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 2946 | LEU | 0 | 0.007 | 0.010 | 61.634 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 2947 | THR | 0 | -0.027 | -0.024 | 63.531 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 2948 | ALA | 0 | 0.032 | 0.033 | 63.702 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 2949 | THR | 0 | -0.037 | -0.030 | 61.412 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 2950 | LYS | 1 | 1.016 | 0.993 | 61.519 | 10.228 | 10.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 2951 | ARG | 1 | 0.944 | 0.978 | 57.252 | 10.995 | 10.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 2952 | THR | 0 | -0.027 | -0.017 | 61.193 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 2953 | GLN | 0 | 0.014 | 0.017 | 62.028 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 2954 | TYR | 0 | 0.061 | 0.012 | 63.734 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 2955 | GLN | 0 | 0.020 | 0.014 | 62.538 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 2956 | GLN | 0 | 0.058 | 0.025 | 66.018 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 2957 | LEU | 0 | -0.060 | -0.032 | 62.887 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 2958 | PRO | 0 | 0.044 | 0.018 | 67.446 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 2959 | VAL | 0 | -0.017 | -0.008 | 68.132 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 2960 | SER | 0 | 0.034 | 0.040 | 69.968 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 2961 | SER | 0 | 0.062 | 0.006 | 72.048 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 2962 | GLU | -1 | -0.881 | -0.934 | 72.458 | -8.536 | -8.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 2963 | THR | 0 | -0.074 | -0.049 | 68.095 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 2964 | LEU | 0 | -0.004 | -0.002 | 69.953 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 2965 | LEU | 0 | 0.067 | 0.021 | 72.098 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 2966 | GLN | 0 | -0.076 | -0.020 | 67.456 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 2967 | VAL | 0 | -0.036 | -0.023 | 66.790 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 2968 | TYR | 0 | -0.014 | 0.023 | 70.231 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 2969 | GLN | 0 | 0.067 | 0.034 | 73.218 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 2970 | PRO | 0 | 0.018 | 0.004 | 76.278 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 2971 | ARG | 1 | 0.756 | 0.864 | 79.222 | 7.863 | 7.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 2972 | GLU | -1 | -0.831 | -0.906 | 81.754 | -7.573 | -7.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 2973 | SER | 0 | -0.047 | -0.016 | 84.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 2974 | LEU | 0 | -0.001 | 0.012 | 86.294 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 2975 | HIS | 0 | 0.074 | 0.011 | 87.528 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 2976 | PHE | 0 | 0.028 | 0.026 | 90.603 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 2977 | SER | 0 | 0.027 | 0.008 | 90.300 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 2978 | ARG | 1 | 0.839 | 0.914 | 82.625 | 7.566 | 7.566 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 2979 | LEU | 0 | -0.034 | -0.011 | 85.626 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 2980 | SER | 0 | -0.042 | -0.026 | 87.368 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 2981 | ASP | -1 | -0.854 | -0.917 | 85.110 | -7.352 | -7.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 2982 | PRO | 0 | -0.025 | -0.024 | 82.023 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 2983 | ALA | 0 | -0.050 | -0.031 | 79.769 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 2984 | PHE | 0 | 0.002 | -0.001 | 80.238 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 2985 | GLN | 0 | -0.047 | -0.029 | 73.942 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 2986 | PRO | 0 | 0.052 | 0.043 | 77.295 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 2987 | PRO | 0 | 0.031 | 0.012 | 76.018 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 2988 | CYS | 0 | -0.088 | -0.050 | 73.230 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 2989 | SER | 0 | 0.029 | 0.007 | 74.971 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 2990 | GLU | -1 | -0.872 | -0.901 | 76.700 | -8.210 | -8.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 2991 | VAL | 0 | -0.018 | -0.014 | 80.056 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 2992 | ASP | -1 | -0.807 | -0.878 | 83.390 | -7.690 | -7.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 2993 | VAL | 0 | -0.009 | -0.019 | 85.915 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 2994 | VAL | 0 | 0.013 | -0.011 | 89.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 2995 | GLY | 0 | 0.026 | 0.009 | 93.295 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 2996 | VAL | 0 | -0.011 | -0.001 | 96.373 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 2997 | VAL | 0 | -0.029 | -0.002 | 98.127 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 2998 | VAL | 0 | 0.033 | 0.013 | 100.172 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 2999 | SER | 0 | -0.033 | -0.022 | 101.241 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 3000 | VAL | 0 | -0.018 | -0.003 | 98.362 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 3001 | VAL | 0 | 0.055 | 0.027 | 98.722 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 3002 | LYS | 1 | 0.930 | 0.952 | 97.845 | 6.401 | 6.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 3003 | PRO | 0 | 0.029 | 0.020 | 96.437 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 3004 | ILE | 0 | 0.028 | 0.009 | 97.603 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 3005 | GLY | 0 | 0.019 | 0.008 | 95.847 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 3006 | LEU | 0 | -0.062 | -0.023 | 92.444 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 3007 | ALA | 0 | 0.013 | 0.016 | 90.741 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 3008 | PRO | 0 | -0.044 | -0.021 | 92.214 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 3009 | LEU | 0 | 0.019 | 0.008 | 93.126 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 3010 | VAL | 0 | -0.013 | -0.008 | 94.443 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 3011 | TYR | 0 | 0.024 | 0.025 | 95.098 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 3012 | LEU | 0 | -0.041 | -0.020 | 93.548 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 3013 | SER | 0 | 0.006 | -0.010 | 97.177 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 3014 | ASP | -1 | -0.721 | -0.872 | 95.613 | -6.694 | -6.694 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 3015 | GLU | -1 | -0.819 | -0.885 | 95.867 | -6.616 | -6.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 3016 | CYS | 0 | -0.046 | -0.034 | 96.814 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 3017 | LEU | 0 | 0.001 | 0.020 | 99.197 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 3018 | ASN | 0 | -0.054 | -0.013 | 95.218 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 3019 | LEU | 0 | 0.037 | 0.009 | 96.893 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 3020 | LEU | 0 | -0.062 | -0.028 | 90.292 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 3021 | VAL | 0 | 0.036 | 0.025 | 92.507 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 3022 | VAL | 0 | -0.025 | -0.004 | 89.276 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 3023 | LYS | 1 | 0.987 | 0.986 | 88.423 | 7.253 | 7.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 3024 | PHE | 0 | -0.023 | -0.022 | 88.824 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 3025 | GLY | 0 | -0.014 | -0.010 | 86.290 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 3026 | ILE | 0 | -0.058 | -0.012 | 85.655 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 3027 | ASP | -1 | -0.888 | -0.949 | 88.543 | -6.918 | -6.918 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 3028 | LEU | 0 | -0.030 | -0.025 | 91.925 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 3029 | ASN | 0 | -0.041 | -0.020 | 90.402 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 3030 | GLU | -1 | -0.905 | -0.947 | 94.393 | -6.507 | -6.507 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 3031 | ASP | -1 | -0.905 | -0.958 | 97.490 | -6.456 | -6.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 3032 | ILE | 0 | -0.056 | -0.019 | 94.470 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 3033 | LYS | 1 | 0.902 | 0.944 | 98.504 | 6.300 | 6.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 3034 | PRO | 0 | 0.008 | -0.024 | 101.846 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 3035 | ARG | 1 | 0.902 | 0.945 | 103.216 | 5.981 | 5.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 3036 | VAL | 0 | -0.029 | 0.009 | 99.765 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 3037 | LEU | 0 | 0.022 | 0.010 | 98.191 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 3038 | ILE | 0 | -0.010 | -0.014 | 94.089 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 3039 | ALA | 0 | 0.021 | 0.018 | 91.351 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 3040 | ALA | 0 | 0.000 | -0.009 | 89.386 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 3041 | SER | 0 | 0.007 | 0.007 | 84.496 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 3042 | ASN | 0 | -0.018 | -0.006 | 79.688 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 3043 | LEU | 0 | 0.036 | 0.048 | 83.126 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 3044 | GLN | 0 | -0.047 | -0.025 | 79.597 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 3045 | CYS | 0 | 0.033 | 0.014 | 81.427 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 3046 | GLN | 0 | -0.032 | -0.007 | 82.222 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 3047 | PRO | 0 | -0.036 | -0.040 | 81.654 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 3048 | GLU | -1 | -0.924 | -0.958 | 84.108 | -7.157 | -7.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 3049 | SER | 0 | 0.010 | 0.024 | 86.038 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 3050 | THR | 0 | -0.046 | -0.036 | 87.250 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 3051 | SER | 0 | 0.046 | 0.028 | 89.894 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 3052 | GLY | 0 | -0.024 | 0.000 | 92.848 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 3053 | VAL | 0 | 0.022 | 0.017 | 93.461 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 3054 | PRO | 0 | 0.011 | 0.011 | 89.678 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 3055 | THR | 0 | -0.004 | -0.012 | 88.115 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 3056 | LEU | 0 | 0.000 | -0.002 | 85.915 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 3057 | PHE | 0 | -0.062 | -0.038 | 82.376 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 3058 | ALA | 0 | 0.039 | 0.029 | 85.148 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 3059 | GLY | 0 | 0.036 | 0.009 | 83.159 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 3060 | HIS | 0 | 0.005 | -0.002 | 80.917 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 3061 | PHE | 0 | -0.055 | -0.042 | 76.483 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 3062 | SER | 0 | 0.010 | -0.014 | 81.792 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 3063 | ILE | 0 | -0.044 | -0.012 | 83.977 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 3064 | PHE | 0 | 0.048 | 0.005 | 87.435 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 3065 | SER | 0 | 0.020 | 0.007 | 91.180 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 3066 | ALA | 0 | 0.072 | 0.040 | 93.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 3067 | SER | 0 | -0.026 | -0.008 | 95.950 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 3068 | PRO | 0 | -0.017 | 0.010 | 91.723 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 3069 | LYS | 1 | 0.953 | 0.958 | 91.284 | 6.881 | 6.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 3070 | GLU | -1 | -0.910 | -0.949 | 86.157 | -7.300 | -7.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 3071 | ALA | 0 | -0.024 | -0.023 | 86.445 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 3072 | TYR | 0 | 0.007 | -0.010 | 84.725 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 3073 | PHE | 0 | 0.061 | 0.014 | 87.504 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 3074 | GLN | 0 | -0.054 | -0.018 | 90.453 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 3075 | GLU | -1 | -0.906 | -0.940 | 92.049 | -6.910 | -6.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 3076 | LYS | 1 | 0.805 | 0.888 | 91.874 | 6.887 | 6.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 3077 | VAL | 0 | -0.010 | -0.007 | 93.893 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 3078 | ASN | 0 | -0.053 | -0.030 | 96.096 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 3079 | ASN | 0 | -0.023 | -0.023 | 96.521 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 3080 | LEU | 0 | -0.050 | 0.003 | 97.514 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 3081 | LYS | 1 | 0.800 | 0.887 | 99.685 | 6.211 | 6.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 3082 | HIS | 0 | 0.071 | 0.035 | 101.855 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 3083 | ALA | 0 | 0.009 | -0.002 | 103.185 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 3084 | ILE | 0 | -0.086 | -0.051 | 102.130 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 3085 | GLU | -1 | -0.867 | -0.923 | 104.506 | -6.112 | -6.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 3086 | ASN | 0 | -0.035 | 0.004 | 107.281 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 3087 | ILE | 0 | 0.003 | 0.007 | 108.288 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 3088 | ASP | -1 | -0.812 | -0.875 | 109.057 | -5.847 | -5.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 3089 | THR | 0 | -0.030 | -0.046 | 110.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 3090 | PHE | 0 | -0.047 | -0.026 | 111.471 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 3091 | TYR | 0 | 0.041 | 0.025 | 101.673 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 3092 | LYS | 1 | 0.855 | 0.908 | 105.854 | 5.999 | 5.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 3093 | GLU | -1 | -0.934 | -0.964 | 107.861 | -5.672 | -5.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 3094 | ALA | 0 | 0.035 | 0.027 | 108.191 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 3095 | GLU | -1 | -0.801 | -0.911 | 103.125 | -6.243 | -6.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 3096 | LYS | 0 | -0.032 | 0.003 | 104.774 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 3097 | LYS | 1 | 0.901 | 0.936 | 106.860 | 5.878 | 5.878 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 3098 | LEU | 0 | -0.023 | 0.014 | 101.206 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 3099 | ILE | 0 | 0.026 | -0.004 | 99.967 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 3100 | HIS | 0 | -0.059 | -0.033 | 103.112 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 3101 | VAL | 0 | -0.085 | -0.035 | 104.673 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 3102 | LEU | 0 | -0.066 | -0.038 | 99.023 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 3103 | GLU | -2 | -1.850 | -1.906 | 100.167 | -12.716 | -12.716 | 0.000 | 0.000 | 0.000 | 0.000 |