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: KQJJ3
Calculation Name: 1BY5-A-Xray549
Preferred Name:
Target Type:
Ligand Name: n-acetyl-n-hydroxy-l-ornithine | n-octyl-2-hydroxyethyl sulfoxide | fe (iii) ion
Ligand 3-letter code: AHO | OES | FE
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1BY5
Chain ID: A
UniProt ID: P06971
Base Structure: X-ray
Registration Date: 2025-10-11
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 | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 695 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17199439.21428 |
|---|---|
| FMO2-HF: Nuclear repulsion | 16929641.211463 |
| FMO2-HF: Total energy | -269798.002817 |
| FMO2-MP2: Total energy | -270591.856053 |
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:18:GLN)
Summations of interaction energy for
fragment #1(A:18:GLN)
| 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. |
| -112.444 | -109.429 | 0.39 | -1.824 | -1.58 | -0.015 |
Interaction energy analysis for fragmet #1(A:18:GLN)
| 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 | 20 | SER | 0 | 0.005 | -0.011 | 2.688 | -15.670 | -12.713 | 0.391 | -1.821 | -1.527 | -0.015 |
| 4 | A | 21 | ALA | 0 | -0.002 | -0.014 | 5.315 | 3.855 | 3.913 | -0.001 | -0.003 | -0.053 | 0.000 |
| 5 | A | 22 | TRP | 0 | -0.053 | -0.031 | 8.734 | 2.912 | 2.912 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 23 | GLY | 0 | 0.029 | 0.021 | 8.967 | 1.980 | 1.980 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 24 | PRO | 0 | 0.037 | 0.024 | 7.509 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 25 | ALA | 0 | -0.032 | -0.012 | 7.277 | -5.141 | -5.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 26 | ALA | 0 | -0.026 | -0.018 | 5.251 | 1.461 | 1.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 27 | THR | 0 | -0.010 | 0.003 | 7.383 | 2.887 | 2.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 28 | ILE | 0 | 0.013 | 0.003 | 10.806 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 29 | ALA | 0 | -0.059 | -0.016 | 11.794 | 1.026 | 1.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 30 | ALA | 0 | 0.000 | 0.006 | 9.461 | -2.476 | -2.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 31 | ARG | 1 | 0.865 | 0.903 | 5.645 | 37.023 | 37.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 32 | GLN | 0 | -0.078 | -0.037 | 4.918 | -1.130 | -1.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 33 | SER | 0 | 0.000 | -0.040 | 7.916 | 2.512 | 2.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 34 | ALA | 0 | 0.060 | 0.036 | 11.252 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 35 | THR | 0 | -0.017 | -0.019 | 12.804 | 1.814 | 1.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 36 | GLY | 0 | 0.022 | 0.023 | 15.617 | 1.215 | 1.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 37 | THR | 0 | -0.016 | -0.015 | 13.679 | 1.173 | 1.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 38 | LYS | 1 | 0.889 | 0.952 | 15.761 | 14.953 | 14.953 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 39 | THR | 0 | -0.009 | -0.024 | 12.641 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 40 | ASP | -1 | -0.796 | -0.874 | 6.526 | -42.181 | -42.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 41 | THR | 0 | -0.018 | -0.004 | 8.760 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 42 | PRO | 0 | 0.020 | 0.016 | 7.024 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 43 | ILE | 0 | 0.066 | 0.031 | 9.057 | 3.173 | 3.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 44 | GLN | 0 | 0.034 | -0.004 | 10.362 | 0.796 | 0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 45 | LYS | 1 | 0.865 | 0.942 | 11.412 | 24.516 | 24.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 46 | VAL | 0 | 0.031 | 0.028 | 13.632 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 47 | PRO | 0 | 0.000 | 0.023 | 16.208 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 48 | GLN | 0 | -0.022 | -0.025 | 19.095 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 49 | SER | 0 | 0.016 | -0.007 | 18.920 | -0.951 | -0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 50 | ILE | 0 | -0.032 | -0.018 | 15.428 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 51 | SER | 0 | -0.046 | -0.035 | 17.474 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 52 | VAL | 0 | -0.018 | -0.007 | 12.886 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 53 | VAL | 0 | 0.024 | 0.031 | 15.967 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 54 | THR | 0 | 0.045 | 0.015 | 12.586 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 55 | ALA | 0 | 0.079 | 0.033 | 14.715 | 1.318 | 1.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 56 | GLU | -1 | -0.882 | -0.942 | 12.868 | -20.946 | -20.946 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 57 | GLU | -1 | -0.788 | -0.893 | 16.072 | -15.629 | -15.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 58 | MET | 0 | -0.013 | -0.008 | 18.597 | 1.469 | 1.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 59 | ALA | 0 | 0.028 | 0.017 | 18.796 | 0.948 | 0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 60 | LEU | 0 | -0.045 | -0.026 | 19.141 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 61 | HIS | 1 | 0.824 | 0.906 | 22.295 | 14.005 | 14.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 62 | GLN | 0 | -0.037 | -0.003 | 23.544 | 0.546 | 0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 63 | PRO | 0 | 0.010 | 0.016 | 24.270 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 64 | LYS | 1 | 0.838 | 0.894 | 27.097 | 9.075 | 9.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 65 | SER | 0 | -0.026 | -0.032 | 28.349 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 66 | VAL | 0 | 0.045 | 0.003 | 23.169 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 67 | LYS | 1 | 0.825 | 0.905 | 25.615 | 9.475 | 9.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 68 | GLU | -1 | -0.828 | -0.898 | 28.181 | -10.432 | -10.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 69 | ALA | 0 | 0.000 | 0.005 | 22.851 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 70 | LEU | 0 | -0.021 | -0.003 | 22.199 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 71 | SER | 0 | -0.049 | -0.040 | 24.668 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 72 | TYR | 0 | -0.026 | -0.040 | 23.558 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 73 | THR | 0 | -0.033 | 0.005 | 21.848 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 74 | PRO | 0 | -0.005 | 0.001 | 22.407 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 75 | GLY | 0 | 0.018 | -0.006 | 24.989 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 76 | VAL | 0 | -0.028 | -0.019 | 25.024 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 77 | SER | 0 | -0.035 | -0.009 | 28.187 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 78 | VAL | 0 | 0.061 | 0.012 | 28.226 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 79 | GLY | 0 | 0.025 | 0.017 | 31.307 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 80 | THR | 0 | -0.054 | -0.023 | 34.319 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 81 | ARG | 1 | 0.934 | 0.963 | 36.465 | 8.154 | 8.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 82 | GLY | 0 | -0.002 | -0.001 | 37.820 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 83 | ALA | 0 | -0.028 | -0.008 | 36.591 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 84 | SER | 0 | -0.022 | -0.007 | 37.144 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 85 | ASN | 0 | 0.006 | -0.009 | 32.549 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 86 | THR | 0 | 0.018 | 0.027 | 34.154 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 87 | TYR | 0 | -0.017 | -0.017 | 33.292 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 88 | ASP | -1 | -0.791 | -0.883 | 28.130 | -11.440 | -11.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 89 | HIS | 0 | 0.034 | 0.021 | 29.821 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 90 | LEU | 0 | -0.010 | -0.012 | 26.768 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 91 | ILE | 0 | -0.011 | 0.009 | 31.158 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 92 | ILE | 0 | -0.015 | -0.013 | 25.959 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 93 | ARG | 1 | 0.727 | 0.820 | 25.080 | 12.149 | 12.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 94 | GLY | 0 | 0.002 | 0.002 | 30.914 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 95 | PHE | 0 | -0.023 | -0.013 | 32.771 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 96 | ALA | 0 | 0.053 | 0.023 | 32.658 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 97 | ALA | 0 | -0.008 | 0.012 | 32.965 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 98 | GLU | -1 | -0.773 | -0.839 | 34.786 | -7.580 | -7.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 99 | GLY | 0 | 0.023 | 0.005 | 37.808 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 100 | GLN | 0 | -0.065 | -0.024 | 37.328 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 101 | SER | 0 | 0.006 | 0.018 | 35.122 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 102 | GLN | 0 | -0.079 | -0.070 | 30.236 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 103 | ASN | 0 | -0.086 | -0.063 | 28.327 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 104 | ASN | 0 | 0.035 | 0.012 | 25.781 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 105 | TYR | 0 | -0.011 | -0.014 | 22.364 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 106 | LEU | 0 | 0.028 | 0.022 | 20.887 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 107 | ASN | 0 | 0.002 | -0.018 | 17.619 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 108 | GLY | 0 | 0.015 | 0.015 | 18.623 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 109 | LEU | 0 | 0.016 | 0.014 | 19.672 | 0.635 | 0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 110 | LYS | 1 | 0.897 | 0.972 | 23.246 | 10.515 | 10.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 111 | LEU | 0 | -0.017 | -0.006 | 25.865 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 112 | GLN | 0 | -0.048 | -0.030 | 28.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 113 | GLY | 0 | 0.082 | 0.042 | 31.376 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 114 | ASN | 0 | -0.057 | -0.040 | 34.040 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 115 | PHE | 0 | -0.004 | 0.005 | 37.661 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 116 | TYR | 0 | 0.066 | 0.053 | 39.537 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 117 | ASN | 0 | -0.033 | -0.010 | 37.129 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 118 | ASP | -1 | -0.795 | -0.908 | 32.870 | -9.930 | -9.930 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 119 | ALA | 0 | -0.045 | -0.011 | 30.173 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 120 | VAL | 0 | -0.010 | -0.003 | 29.145 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 121 | ILE | 0 | 0.009 | 0.007 | 23.833 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 122 | ASP | -1 | -0.760 | -0.871 | 26.143 | -11.819 | -11.819 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 123 | PRO | 0 | 0.033 | 0.011 | 22.931 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 124 | TYR | 0 | -0.093 | -0.059 | 21.310 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 125 | MET | 0 | -0.020 | -0.007 | 20.965 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 126 | LEU | 0 | -0.059 | -0.020 | 18.879 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 127 | GLU | -1 | -0.869 | -0.944 | 12.313 | -23.320 | -23.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 128 | ARG | 1 | 0.761 | 0.846 | 8.403 | 30.590 | 30.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 129 | ALA | 0 | -0.001 | 0.010 | 15.868 | 1.038 | 1.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 130 | GLU | -1 | -0.785 | -0.841 | 13.199 | -23.506 | -23.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 131 | ILE | 0 | 0.008 | 0.012 | 17.945 | 0.793 | 0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 132 | MET | 0 | -0.038 | -0.012 | 19.228 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 133 | ARG | 1 | 0.873 | 0.910 | 21.241 | 14.501 | 14.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 134 | GLY | 0 | 0.008 | 0.015 | 24.210 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 135 | PRO | 0 | -0.029 | -0.014 | 26.581 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 136 | VAL | 0 | 0.071 | 0.028 | 23.724 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 137 | SER | 0 | -0.013 | -0.028 | 24.888 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 138 | VAL | 0 | 0.003 | 0.011 | 23.563 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 139 | LEU | 0 | 0.006 | 0.006 | 19.186 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 140 | TYR | 0 | -0.107 | -0.070 | 18.616 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 141 | GLY | 0 | 0.023 | 0.025 | 25.165 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 142 | LYS | 1 | 0.838 | 0.930 | 28.957 | 9.074 | 9.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 143 | SER | 0 | 0.009 | -0.006 | 28.422 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 144 | SER | 0 | 0.001 | 0.000 | 30.488 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 145 | PRO | 0 | -0.015 | -0.015 | 30.200 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 146 | GLY | 0 | 0.016 | 0.022 | 29.982 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 147 | GLY | 0 | 0.024 | 0.017 | 26.248 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 148 | LEU | 0 | -0.049 | -0.012 | 21.267 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 149 | LEU | 0 | 0.031 | 0.028 | 21.639 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 150 | ASN | 0 | -0.002 | -0.017 | 17.064 | 1.044 | 1.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 151 | MET | 0 | -0.018 | 0.010 | 19.043 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 152 | VAL | 0 | 0.009 | 0.002 | 13.441 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 153 | SER | 0 | 0.035 | 0.005 | 16.828 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 154 | LYS | 1 | 0.803 | 0.915 | 15.665 | 15.353 | 15.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 155 | ARG | 1 | 0.934 | 0.962 | 12.989 | 22.550 | 22.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 156 | PRO | 0 | -0.052 | -0.022 | 14.604 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 157 | THR | 0 | -0.002 | 0.004 | 11.218 | -1.642 | -1.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 158 | THR | 0 | -0.045 | -0.016 | 7.075 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 159 | GLU | -1 | -0.895 | -0.944 | 9.225 | -25.377 | -25.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 160 | PRO | 0 | -0.037 | -0.029 | 11.679 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 161 | LEU | 0 | -0.032 | -0.001 | 15.279 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 162 | LYS | 1 | 0.885 | 0.935 | 16.851 | 14.998 | 14.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 163 | GLU | -1 | -0.764 | -0.844 | 19.415 | -14.930 | -14.930 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 164 | VAL | 0 | -0.006 | -0.008 | 21.705 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 165 | GLN | 0 | -0.006 | -0.002 | 23.673 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 166 | PHE | 0 | -0.034 | -0.017 | 25.973 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 167 | LYS | 1 | 0.888 | 0.947 | 26.262 | 11.379 | 11.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 168 | ALA | 0 | 0.021 | 0.012 | 30.943 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 169 | GLY | 0 | 0.011 | 0.000 | 33.966 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 170 | THR | 0 | 0.008 | 0.010 | 35.908 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 171 | ASP | -1 | -0.873 | -0.939 | 38.014 | -8.065 | -8.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 172 | SER | 0 | -0.027 | -0.017 | 39.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 173 | LEU | 0 | -0.040 | 0.004 | 32.368 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 174 | PHE | 0 | 0.007 | -0.005 | 34.886 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 175 | GLN | 0 | 0.023 | 0.004 | 27.104 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 176 | THR | 0 | 0.001 | 0.007 | 30.226 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 177 | GLY | 0 | 0.043 | 0.002 | 26.842 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 178 | PHE | 0 | -0.019 | 0.006 | 24.372 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 179 | ASP | -1 | -0.698 | -0.814 | 18.247 | -16.856 | -16.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 180 | PHE | 0 | 0.011 | 0.024 | 20.284 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 181 | SER | 0 | -0.050 | -0.047 | 16.302 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 182 | ASP | -1 | -0.773 | -0.887 | 16.958 | -15.339 | -15.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 183 | SER | 0 | 0.016 | 0.008 | 15.473 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 184 | LEU | 0 | -0.081 | -0.051 | 18.054 | 0.624 | 0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 185 | ASP | -1 | -0.817 | -0.904 | 19.117 | -14.142 | -14.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 186 | ASP | -1 | -0.906 | -0.960 | 18.711 | -13.436 | -13.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 187 | ASP | -1 | -0.950 | -0.961 | 16.348 | -15.164 | -15.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 188 | GLY | 0 | -0.033 | -0.006 | 14.607 | -1.157 | -1.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 189 | VAL | 0 | -0.076 | -0.034 | 15.493 | -0.715 | -0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 190 | TYR | 0 | -0.046 | -0.038 | 17.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 191 | SER | 0 | 0.012 | 0.016 | 16.185 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 192 | TYR | 0 | 0.014 | -0.003 | 18.141 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 193 | ARG | 1 | 0.813 | 0.881 | 13.929 | 18.603 | 18.603 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 194 | LEU | 0 | -0.018 | -0.002 | 19.789 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 195 | THR | 0 | 0.007 | -0.001 | 20.175 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 196 | GLY | 0 | -0.009 | -0.007 | 22.870 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 197 | LEU | 0 | -0.066 | -0.032 | 26.271 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 198 | ALA | 0 | 0.008 | 0.008 | 28.578 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 199 | ARG | 1 | 0.817 | 0.892 | 28.668 | 10.505 | 10.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 200 | SER | 0 | -0.006 | 0.003 | 33.447 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 201 | ALA | 0 | 0.054 | 0.026 | 36.521 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 202 | ASN | 0 | -0.016 | -0.002 | 38.523 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 203 | ALA | 0 | -0.001 | 0.000 | 39.655 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 204 | GLN | 0 | 0.025 | 0.012 | 40.330 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 205 | GLN | 0 | -0.003 | 0.006 | 42.034 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 206 | LYS | 1 | 0.956 | 0.969 | 45.356 | 6.295 | 6.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 207 | GLY | 0 | -0.043 | -0.022 | 47.879 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 208 | SER | 0 | 0.006 | 0.019 | 43.601 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 209 | GLU | -1 | -0.895 | -0.936 | 41.860 | -7.473 | -7.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 210 | GLU | -1 | -0.850 | -0.905 | 35.860 | -9.019 | -9.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 211 | GLN | 0 | -0.040 | -0.023 | 36.999 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 212 | ARG | 1 | 0.773 | 0.868 | 29.341 | 10.425 | 10.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 213 | TYR | 0 | -0.046 | -0.028 | 32.631 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 214 | ALA | 0 | -0.008 | -0.009 | 28.691 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 215 | ILE | 0 | -0.016 | -0.012 | 27.070 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 216 | ALA | 0 | 0.037 | 0.004 | 22.924 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 217 | PRO | 0 | -0.021 | 0.001 | 23.261 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 218 | ALA | 0 | 0.000 | 0.014 | 19.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 219 | PHE | 0 | -0.001 | -0.009 | 20.745 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 220 | THR | 0 | -0.037 | -0.027 | 14.840 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 221 | TRP | 0 | -0.027 | -0.012 | 18.216 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 222 | ARG | 1 | 0.968 | 0.976 | 11.927 | 21.744 | 21.744 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 223 | PRO | 0 | -0.040 | -0.002 | 17.334 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 224 | ASP | -1 | -0.767 | -0.862 | 17.764 | -15.726 | -15.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 225 | ASP | -1 | -0.881 | -0.950 | 12.648 | -19.884 | -19.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 226 | LYS | 1 | 0.820 | 0.924 | 13.327 | 18.050 | 18.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 227 | THR | 0 | -0.074 | -0.069 | 15.626 | 0.663 | 0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 228 | ASN | 0 | -0.019 | -0.007 | 13.964 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 229 | PHE | 0 | -0.020 | -0.005 | 16.079 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 230 | THR | 0 | -0.002 | 0.006 | 16.270 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 231 | PHE | 0 | -0.003 | -0.003 | 18.669 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 232 | LEU | 0 | -0.008 | -0.018 | 18.276 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 233 | SER | 0 | -0.070 | -0.047 | 22.478 | 0.753 | 0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 234 | TYR | 0 | 0.004 | -0.020 | 25.063 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 235 | PHE | 0 | -0.019 | -0.012 | 27.366 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 236 | GLN | 0 | 0.037 | 0.026 | 30.292 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 237 | ASN | 0 | -0.010 | -0.002 | 32.261 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 238 | GLU | -1 | -0.728 | -0.848 | 33.758 | -9.802 | -9.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 239 | PRO | 0 | -0.041 | -0.025 | 36.980 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 240 | GLU | -1 | -0.709 | -0.816 | 39.747 | -7.201 | -7.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 241 | THR | 0 | -0.044 | -0.021 | 37.057 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 242 | GLY | 0 | 0.037 | 0.028 | 37.822 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 243 | TYR | 0 | -0.049 | -0.037 | 40.146 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 244 | TYR | 0 | 0.007 | 0.002 | 38.668 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 245 | GLY | 0 | 0.029 | 0.035 | 42.782 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 246 | TRP | 0 | -0.033 | -0.036 | 44.443 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 247 | LEU | 0 | 0.005 | 0.009 | 47.075 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 248 | PRO | 0 | 0.004 | 0.013 | 48.760 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 249 | LYS | 1 | 0.873 | 0.925 | 49.815 | 5.939 | 5.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 250 | GLU | -1 | -0.853 | -0.924 | 50.784 | -6.030 | -6.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 251 | GLY | 0 | -0.005 | -0.012 | 53.421 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 252 | THR | 0 | -0.028 | -0.014 | 47.669 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 253 | VAL | 0 | 0.034 | 0.019 | 46.450 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 254 | GLU | -1 | -0.881 | -0.905 | 48.990 | -5.999 | -5.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 255 | PRO | 0 | -0.039 | -0.014 | 52.778 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 256 | LEU | 0 | 0.069 | 0.030 | 55.418 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 257 | PRO | 0 | -0.013 | -0.018 | 57.885 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 258 | ASN | 0 | -0.013 | -0.007 | 60.207 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 259 | GLY | 0 | 0.006 | 0.003 | 58.990 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 260 | LYS | 1 | 0.905 | 0.961 | 56.616 | 5.505 | 5.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 261 | ARG | 1 | 0.875 | 0.922 | 50.183 | 6.397 | 6.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 262 | LEU | 0 | -0.028 | -0.010 | 51.058 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 263 | PRO | 0 | 0.011 | 0.010 | 49.627 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 264 | THR | 0 | 0.011 | -0.024 | 44.111 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 265 | ASP | -1 | -0.830 | -0.911 | 45.090 | -6.780 | -6.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 266 | PHE | 0 | -0.038 | -0.035 | 46.864 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 267 | ASN | 0 | 0.018 | -0.003 | 47.786 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 268 | GLU | -1 | -0.770 | -0.865 | 48.944 | -6.588 | -6.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 269 | GLY | 0 | 0.026 | 0.025 | 50.430 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 270 | ALA | 0 | -0.041 | -0.017 | 51.389 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 271 | LYS | 1 | 0.836 | 0.892 | 51.687 | 5.680 | 5.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 272 | ASN | 0 | 0.002 | -0.001 | 51.750 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 273 | ASN | 0 | -0.002 | -0.006 | 48.137 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 274 | THR | 0 | -0.086 | -0.055 | 45.705 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 275 | TYR | 0 | 0.002 | -0.033 | 40.023 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 276 | SER | 0 | 0.028 | 0.037 | 40.795 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 277 | ARG | 1 | 0.792 | 0.876 | 34.534 | 9.468 | 9.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 278 | ASN | 0 | -0.087 | -0.046 | 36.404 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 279 | GLU | -1 | -0.779 | -0.900 | 30.674 | -10.403 | -10.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 280 | LYS | 1 | 0.820 | 0.899 | 32.078 | 8.808 | 8.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 281 | MET | 0 | -0.031 | -0.017 | 27.612 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 282 | VAL | 0 | 0.024 | 0.012 | 27.274 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 283 | GLY | 0 | 0.016 | 0.000 | 25.148 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 284 | TYR | 0 | 0.005 | 0.019 | 21.428 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 285 | SER | 0 | -0.033 | -0.010 | 16.694 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 286 | PHE | 0 | -0.012 | -0.013 | 18.043 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 287 | ASP | -1 | -0.856 | -0.921 | 13.727 | -21.935 | -21.935 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 288 | HIS | 1 | 0.895 | 0.937 | 16.522 | 16.131 | 16.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 289 | GLU | -1 | -0.870 | -0.916 | 12.905 | -21.381 | -21.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 290 | PHE | 0 | -0.064 | -0.051 | 16.496 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 291 | ASN | 0 | 0.022 | -0.006 | 17.958 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 292 | ASP | -1 | -0.856 | -0.920 | 14.579 | -19.541 | -19.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 293 | THR | 0 | -0.063 | -0.011 | 15.929 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 294 | PHE | 0 | -0.015 | -0.012 | 18.332 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 295 | THR | 0 | 0.007 | 0.004 | 13.988 | -0.727 | -0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 296 | VAL | 0 | -0.017 | 0.006 | 16.994 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 297 | ARG | 1 | 0.890 | 0.925 | 12.593 | 19.940 | 19.940 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 298 | GLN | 0 | -0.009 | 0.005 | 18.228 | 1.059 | 1.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 299 | ASN | 0 | 0.004 | 0.020 | 17.990 | -1.046 | -1.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 300 | LEU | 0 | -0.023 | -0.010 | 21.287 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 301 | ARG | 1 | 0.856 | 0.899 | 23.231 | 12.413 | 12.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 302 | PHE | 0 | -0.020 | 0.000 | 26.628 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 303 | ALA | 0 | 0.013 | 0.006 | 29.651 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 304 | GLU | -1 | -0.870 | -0.927 | 31.471 | -8.062 | -8.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 305 | ASN | 0 | 0.038 | 0.024 | 31.700 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 306 | LYS | 1 | 0.959 | 0.971 | 35.860 | 8.037 | 8.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 307 | THR | 0 | -0.010 | -0.009 | 38.469 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 308 | SER | 0 | 0.028 | -0.003 | 40.663 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 309 | GLN | 0 | -0.033 | 0.012 | 43.579 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 310 | ASN | 0 | -0.026 | -0.008 | 46.079 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 311 | SER | 0 | 0.044 | 0.003 | 46.072 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 312 | VAL | 0 | -0.024 | -0.018 | 49.055 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 313 | TYR | 0 | -0.014 | 0.003 | 48.736 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 314 | GLY | 0 | 0.007 | -0.005 | 50.408 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 315 | TYR | 0 | 0.016 | -0.004 | 50.946 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 316 | GLY | 0 | 0.099 | 0.052 | 52.902 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 317 | VAL | 0 | -0.015 | -0.002 | 54.053 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 318 | CYS | 0 | -0.006 | -0.006 | 57.378 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 319 | SER | 0 | -0.046 | -0.038 | 60.017 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 320 | ASP | -1 | -0.794 | -0.860 | 54.137 | -6.020 | -6.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 321 | PRO | 0 | 0.017 | -0.008 | 56.387 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 322 | ALA | 0 | -0.017 | -0.002 | 54.228 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 323 | ASN | 0 | -0.054 | -0.047 | 56.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 324 | ALA | 0 | -0.031 | -0.011 | 59.228 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 325 | TYR | 0 | -0.049 | -0.031 | 62.045 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 326 | SER | 0 | 0.031 | 0.025 | 61.300 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 327 | LYS | 1 | 0.936 | 0.934 | 63.284 | 4.838 | 4.838 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 328 | GLN | 0 | -0.047 | -0.031 | 61.601 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 330 | ALA | 0 | -0.047 | -0.025 | 64.528 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 331 | ALA | 0 | -0.041 | -0.013 | 67.761 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 332 | LEU | 0 | -0.002 | 0.015 | 64.453 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 333 | ALA | 0 | 0.034 | 0.013 | 68.660 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 334 | PRO | 0 | 0.008 | -0.022 | 68.018 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 335 | ALA | 0 | 0.011 | 0.010 | 66.624 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 336 | ASP | -1 | -0.875 | -0.952 | 65.790 | -4.898 | -4.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 337 | LYS | 1 | 0.886 | 0.952 | 63.371 | 4.807 | 4.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 338 | GLY | 0 | 0.038 | 0.040 | 60.950 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 339 | HIS | 1 | 0.831 | 0.924 | 59.864 | 5.045 | 5.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 340 | TYR | 0 | 0.018 | 0.009 | 60.487 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 341 | LEU | 0 | -0.028 | -0.003 | 53.323 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 342 | ALA | 0 | 0.054 | 0.019 | 57.146 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 343 | ARG | 1 | 0.805 | 0.886 | 54.560 | 5.710 | 5.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 344 | LYS | 1 | 0.878 | 0.975 | 53.117 | 5.985 | 5.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 345 | TYR | 0 | 0.058 | 0.008 | 52.285 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 346 | VAL | 0 | -0.020 | 0.001 | 47.357 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 347 | VAL | 0 | -0.020 | 0.007 | 50.022 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 348 | ASP | -1 | -0.820 | -0.944 | 44.201 | -7.294 | -7.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 349 | ASP | -1 | -0.863 | -0.907 | 45.265 | -7.101 | -7.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 350 | GLU | -1 | -0.722 | -0.837 | 41.139 | -7.787 | -7.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 351 | LYS | 1 | 0.873 | 0.932 | 40.702 | 7.550 | 7.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 352 | LEU | 0 | -0.017 | 0.014 | 34.074 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 353 | GLN | 0 | -0.087 | -0.056 | 35.716 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 354 | ASN | 0 | 0.050 | 0.011 | 29.535 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 355 | PHE | 0 | -0.010 | 0.002 | 30.043 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 356 | SER | 0 | -0.003 | -0.024 | 26.995 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 357 | VAL | 0 | 0.010 | 0.009 | 25.745 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 358 | ASP | -1 | -0.733 | -0.824 | 20.880 | -14.191 | -14.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 359 | THR | 0 | -0.013 | -0.025 | 22.170 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 360 | GLN | 0 | -0.014 | -0.016 | 17.495 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 361 | LEU | 0 | 0.004 | 0.001 | 20.300 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 362 | GLN | 0 | 0.041 | 0.033 | 12.840 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 363 | SER | 0 | 0.021 | -0.002 | 17.848 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 364 | LYS | 1 | 0.906 | 0.960 | 10.832 | 23.948 | 23.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 365 | PHE | 0 | -0.007 | -0.008 | 17.848 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 366 | ALA | 0 | 0.091 | 0.055 | 20.501 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 367 | THR | 0 | -0.068 | -0.042 | 22.048 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 368 | GLY | 0 | -0.001 | 0.005 | 25.591 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 369 | ASP | -1 | -0.876 | -0.943 | 23.649 | -12.083 | -12.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 370 | ILE | 0 | -0.071 | -0.028 | 22.275 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 371 | ASP | -1 | -0.857 | -0.915 | 17.422 | -16.396 | -16.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 372 | HIS | 1 | 0.778 | 0.847 | 19.185 | 13.736 | 13.736 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 373 | THR | 0 | -0.019 | -0.016 | 14.218 | -1.351 | -1.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 374 | LEU | 0 | 0.005 | 0.018 | 17.229 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 375 | LEU | 0 | -0.008 | 0.002 | 17.279 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 376 | THR | 0 | -0.015 | -0.012 | 19.882 | 0.722 | 0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 377 | GLY | 0 | 0.027 | 0.006 | 22.554 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 378 | VAL | 0 | -0.035 | -0.013 | 23.983 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 379 | ASP | -1 | -0.821 | -0.887 | 24.882 | -12.350 | -12.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 380 | PHE | 0 | -0.035 | -0.020 | 26.727 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 381 | MET | 0 | 0.000 | 0.023 | 29.165 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 382 | ARG | 1 | 0.832 | 0.900 | 31.332 | 9.468 | 9.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 383 | MET | 0 | -0.036 | 0.012 | 34.117 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 384 | ARG | 1 | 0.895 | 0.935 | 35.979 | 8.119 | 8.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 385 | ASN | 0 | 0.017 | -0.035 | 38.555 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 386 | ASP | -1 | -0.829 | -0.878 | 40.682 | -6.751 | -6.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 387 | ILE | 0 | 0.006 | 0.024 | 42.795 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 388 | ASN | 0 | -0.048 | -0.043 | 45.791 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 389 | ALA | 0 | 0.052 | 0.040 | 47.734 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 390 | TRP | 0 | -0.048 | -0.045 | 49.761 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 391 | PHE | 0 | 0.019 | 0.009 | 47.395 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 392 | GLY | 0 | -0.004 | 0.000 | 53.331 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 393 | TYR | 0 | 0.008 | -0.010 | 55.019 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 394 | ASP | -1 | -0.873 | -0.936 | 57.625 | -5.596 | -5.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 395 | ASP | -1 | -0.811 | -0.880 | 59.521 | -5.161 | -5.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 396 | SER | 0 | -0.015 | -0.010 | 57.347 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 397 | VAL | 0 | -0.002 | 0.003 | 55.981 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 398 | PRO | 0 | 0.001 | 0.021 | 59.372 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 399 | LEU | 0 | 0.022 | 0.009 | 59.479 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 400 | LEU | 0 | 0.011 | 0.015 | 56.151 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 401 | ASN | 0 | 0.009 | 0.002 | 59.161 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 402 | LEU | 0 | 0.040 | 0.008 | 55.319 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 403 | TYR | 0 | -0.069 | -0.042 | 58.294 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 404 | ASN | 0 | -0.074 | -0.031 | 61.037 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 405 | PRO | 0 | 0.027 | 0.030 | 56.360 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 406 | VAL | 0 | 0.000 | -0.009 | 58.517 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 407 | ASN | 0 | -0.020 | -0.002 | 53.163 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 408 | THR | 0 | -0.035 | -0.019 | 56.405 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 409 | ASP | -1 | -0.867 | -0.916 | 56.093 | -5.926 | -5.926 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 410 | PHE | 0 | 0.005 | -0.015 | 55.554 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 411 | ASP | -1 | -0.810 | -0.901 | 56.810 | -5.561 | -5.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 412 | PHE | 0 | 0.016 | 0.005 | 52.363 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 413 | ASN | 0 | -0.079 | -0.051 | 56.248 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 414 | ALA | 0 | 0.013 | 0.025 | 58.769 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 415 | LYS | 1 | 0.878 | 0.951 | 54.675 | 5.891 | 5.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 416 | ASP | -1 | -0.838 | -0.921 | 60.001 | -4.984 | -4.984 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 417 | PRO | 0 | -0.016 | -0.001 | 61.941 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 418 | ALA | 0 | -0.059 | -0.023 | 63.229 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 419 | ASN | 0 | -0.044 | -0.024 | 61.519 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 420 | SER | 0 | 0.011 | -0.008 | 57.444 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 421 | GLY | 0 | 0.034 | 0.021 | 56.801 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 422 | PRO | 0 | -0.066 | -0.021 | 54.620 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 423 | TYR | 0 | -0.006 | -0.006 | 46.023 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 424 | ARG | 1 | 0.921 | 0.966 | 50.028 | 5.808 | 5.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 425 | ILE | 0 | 0.005 | 0.009 | 46.056 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 426 | LEU | 0 | -0.051 | -0.016 | 43.844 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 427 | ASN | 0 | 0.037 | 0.026 | 41.533 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 428 | LYS | 1 | 0.890 | 0.940 | 40.313 | 7.174 | 7.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 429 | GLN | 0 | 0.061 | 0.030 | 35.979 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 430 | LYS | 1 | 0.817 | 0.897 | 35.358 | 7.796 | 7.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 431 | GLN | 0 | 0.034 | 0.024 | 29.315 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 432 | THR | 0 | 0.014 | -0.005 | 31.845 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 433 | GLY | 0 | 0.052 | 0.042 | 29.746 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 434 | VAL | 0 | -0.044 | -0.019 | 28.464 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 435 | TYR | 0 | -0.051 | -0.065 | 21.156 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 436 | VAL | 0 | 0.015 | 0.007 | 24.157 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 437 | GLN | 0 | 0.000 | -0.019 | 17.875 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 438 | ASP | -1 | -0.790 | -0.878 | 20.483 | -14.753 | -14.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 439 | GLN | 0 | -0.016 | 0.011 | 13.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 440 | ALA | 0 | 0.016 | 0.023 | 17.857 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 441 | GLN | 0 | -0.003 | -0.008 | 15.237 | -1.316 | -1.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 442 | TRP | 0 | -0.022 | -0.007 | 19.318 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 443 | ASP | -1 | -0.818 | -0.911 | 20.057 | -13.969 | -13.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 444 | LYS | 1 | 0.828 | 0.900 | 18.687 | 14.185 | 14.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 445 | VAL | 0 | -0.033 | -0.004 | 19.726 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 446 | LEU | 0 | 0.000 | 0.000 | 15.579 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 447 | VAL | 0 | -0.005 | -0.002 | 19.659 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 448 | THR | 0 | -0.019 | -0.010 | 18.966 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 449 | LEU | 0 | -0.017 | -0.012 | 21.187 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 450 | GLY | 0 | 0.030 | 0.011 | 23.665 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 451 | GLY | 0 | -0.019 | -0.014 | 24.962 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 452 | ARG | 1 | 0.719 | 0.832 | 25.647 | 11.178 | 11.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 453 | TYR | 0 | -0.014 | -0.001 | 29.025 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 454 | ASP | -1 | -0.771 | -0.880 | 30.664 | -10.671 | -10.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 455 | TRP | 0 | -0.012 | -0.005 | 33.248 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 456 | ALA | 0 | -0.025 | -0.029 | 34.939 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 457 | ASP | -1 | -0.801 | -0.874 | 36.647 | -7.833 | -7.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 458 | GLN | 0 | -0.085 | -0.051 | 38.933 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 459 | GLU | -1 | -0.894 | -0.967 | 41.329 | -6.869 | -6.869 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 460 | SER | 0 | 0.006 | 0.002 | 43.896 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 461 | LEU | 0 | -0.018 | 0.005 | 46.368 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 462 | ASN | 0 | 0.104 | 0.050 | 49.309 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 463 | ARG | 1 | 0.789 | 0.848 | 47.948 | 6.714 | 6.714 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 464 | VAL | 0 | -0.051 | -0.020 | 53.583 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 465 | ALA | 0 | 0.009 | -0.003 | 55.559 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 466 | GLY | 0 | -0.006 | 0.007 | 55.758 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 467 | THR | 0 | -0.013 | 0.003 | 52.843 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 468 | THR | 0 | -0.031 | -0.040 | 49.483 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 469 | ASP | -1 | -0.858 | -0.902 | 48.599 | -6.271 | -6.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 470 | LYS | 1 | 0.870 | 0.920 | 45.189 | 6.815 | 6.815 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 471 | ARG | 1 | 0.809 | 0.882 | 42.610 | 7.354 | 7.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 472 | ASP | -1 | -0.879 | -0.944 | 41.844 | -7.371 | -7.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 473 | ASP | -1 | -0.814 | -0.887 | 38.979 | -7.647 | -7.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 474 | LYS | 1 | 0.926 | 0.953 | 37.970 | 7.265 | 7.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 475 | GLN | 0 | -0.002 | -0.001 | 34.869 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 476 | PHE | 0 | 0.021 | 0.021 | 31.329 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 477 | THR | 0 | -0.034 | -0.013 | 30.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 478 | TRP | 0 | -0.031 | -0.016 | 28.272 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 479 | ARG | 1 | 0.837 | 0.897 | 19.621 | 14.683 | 14.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 480 | GLY | 0 | 0.010 | 0.009 | 25.657 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 481 | GLY | 0 | 0.001 | -0.005 | 23.680 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 482 | VAL | 0 | -0.054 | -0.010 | 22.597 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 483 | ASN | 0 | 0.004 | -0.022 | 17.297 | 0.846 | 0.846 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 484 | TYR | 0 | -0.003 | 0.002 | 20.490 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 485 | LEU | 0 | -0.012 | -0.022 | 14.195 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 486 | PHE | 0 | 0.020 | 0.010 | 18.069 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 487 | ASP | -1 | -0.819 | -0.883 | 17.231 | -16.733 | -16.733 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 488 | ASN | 0 | -0.004 | -0.016 | 17.980 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 489 | GLY | 0 | 0.057 | 0.024 | 14.794 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 490 | VAL | 0 | -0.053 | -0.023 | 15.548 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 491 | THR | 0 | 0.016 | -0.022 | 15.612 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 492 | PRO | 0 | -0.029 | 0.012 | 18.903 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 493 | TYR | 0 | -0.056 | -0.049 | 20.314 | -0.600 | -0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 494 | PHE | 0 | -0.026 | -0.011 | 22.458 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 495 | SER | 0 | -0.008 | -0.022 | 23.681 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 496 | TYR | 0 | -0.097 | -0.051 | 25.929 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 497 | SER | 0 | 0.015 | -0.007 | 26.071 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 498 | GLU | -1 | -0.806 | -0.888 | 28.172 | -9.137 | -9.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 499 | SER | 0 | -0.023 | -0.033 | 29.071 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 500 | PHE | 0 | -0.017 | -0.004 | 31.216 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 501 | GLU | -1 | -0.788 | -0.906 | 33.236 | -9.326 | -9.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 502 | PRO | 0 | -0.024 | -0.029 | 35.557 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 503 | SER | 0 | 0.004 | 0.004 | 38.622 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 504 | SER | 0 | -0.027 | -0.039 | 41.400 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 505 | GLN | 0 | -0.072 | -0.031 | 43.025 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 506 | VAL | 0 | 0.018 | 0.002 | 46.219 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 507 | GLY | 0 | 0.038 | 0.015 | 49.599 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 508 | LYS | 1 | 0.827 | 0.891 | 52.066 | 5.693 | 5.693 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 509 | ASP | -1 | -0.896 | -0.938 | 53.296 | -5.980 | -5.980 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 510 | GLY | 0 | -0.015 | 0.002 | 54.180 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 511 | ASN | 0 | -0.063 | -0.034 | 50.191 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 512 | ILE | 0 | -0.015 | 0.001 | 44.227 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 513 | PHE | 0 | 0.014 | 0.022 | 45.281 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 514 | ALA | 0 | -0.017 | -0.010 | 43.621 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 515 | PRO | 0 | -0.064 | -0.032 | 38.123 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 516 | SER | 0 | -0.013 | 0.014 | 38.263 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 517 | LYS | 1 | 0.873 | 0.922 | 35.926 | 7.900 | 7.900 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 518 | GLY | 0 | 0.025 | 0.021 | 32.987 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 519 | LYS | 1 | 0.867 | 0.928 | 32.565 | 8.506 | 8.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 520 | GLN | 0 | 0.056 | 0.024 | 26.277 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 521 | TYR | 0 | 0.023 | 0.023 | 29.932 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 522 | GLU | -1 | -0.770 | -0.852 | 23.269 | -13.057 | -13.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 523 | VAL | 0 | 0.007 | 0.000 | 26.209 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 524 | GLY | 0 | 0.022 | 0.012 | 23.449 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 525 | VAL | 0 | -0.047 | -0.020 | 21.089 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 526 | LYS | 1 | 0.840 | 0.933 | 15.879 | 17.865 | 17.865 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 527 | TYR | 0 | -0.035 | -0.023 | 16.841 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 528 | VAL | 0 | 0.013 | -0.002 | 10.396 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 529 | PRO | 0 | -0.028 | 0.013 | 12.273 | -0.796 | -0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 530 | GLU | -1 | -0.939 | -0.967 | 9.522 | -27.070 | -27.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 531 | ASP | -1 | -0.888 | -0.936 | 9.393 | -22.442 | -22.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 532 | ARG | 1 | 0.911 | 0.949 | 11.655 | 17.974 | 17.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 533 | PRO | 0 | -0.010 | -0.006 | 9.408 | -0.996 | -0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 534 | ILE | 0 | -0.027 | -0.029 | 10.684 | 1.500 | 1.500 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 535 | VAL | 0 | 0.041 | 0.027 | 12.036 | -0.898 | -0.898 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 536 | VAL | 0 | -0.015 | -0.010 | 14.627 | 1.146 | 1.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 537 | THR | 0 | -0.014 | -0.005 | 17.442 | -0.639 | -0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 538 | GLY | 0 | 0.011 | 0.012 | 19.784 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 539 | ALA | 0 | 0.001 | -0.001 | 23.175 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 540 | VAL | 0 | 0.008 | 0.000 | 25.050 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 541 | TYR | 0 | 0.029 | 0.016 | 28.172 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 542 | ASN | 0 | -0.014 | -0.016 | 30.043 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 543 | LEU | 0 | -0.007 | 0.004 | 30.484 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 544 | THR | 0 | -0.025 | -0.016 | 33.201 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 545 | LYS | 1 | 0.919 | 0.973 | 35.782 | 8.292 | 8.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 546 | THR | 0 | 0.024 | 0.018 | 37.536 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 547 | ASN | 0 | -0.027 | -0.029 | 40.070 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 548 | ASN | 0 | -0.017 | -0.013 | 41.059 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 549 | LEU | 0 | 0.008 | 0.017 | 42.578 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 550 | MET | 0 | -0.032 | 0.022 | 45.497 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 551 | ALA | 0 | 0.062 | 0.043 | 48.414 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 552 | ASP | -1 | -0.686 | -0.803 | 52.012 | -5.664 | -5.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 553 | PRO | 0 | -0.026 | -0.016 | 54.238 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 554 | GLU | -1 | -0.950 | -0.969 | 57.197 | -5.294 | -5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 555 | GLY | 0 | -0.028 | -0.001 | 58.269 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 556 | SER | 0 | -0.101 | -0.081 | 58.064 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 557 | PHE | 0 | -0.017 | -0.032 | 56.586 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 558 | PHE | 0 | -0.022 | 0.015 | 53.046 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 559 | SER | 0 | -0.050 | -0.034 | 48.856 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 560 | VAL | 0 | -0.026 | -0.023 | 50.263 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 561 | GLU | -1 | -0.765 | -0.883 | 45.901 | -7.034 | -7.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 562 | GLY | 0 | -0.009 | -0.012 | 46.352 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 563 | GLY | 0 | 0.034 | 0.025 | 45.811 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 564 | GLU | -1 | -0.977 | -0.981 | 41.337 | -7.748 | -7.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 565 | ILE | 0 | 0.001 | 0.014 | 38.652 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 566 | ARG | 1 | 0.864 | 0.938 | 37.636 | 7.612 | 7.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 567 | ALA | 0 | 0.027 | 0.010 | 34.045 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 568 | ARG | 1 | 0.875 | 0.934 | 33.482 | 8.157 | 8.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 569 | GLY | 0 | 0.023 | 0.010 | 31.889 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 570 | VAL | 0 | -0.031 | -0.008 | 28.907 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 571 | GLU | -1 | -0.761 | -0.841 | 24.991 | -12.063 | -12.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 572 | ILE | 0 | -0.026 | -0.018 | 23.077 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 573 | GLU | -1 | -0.781 | -0.859 | 19.774 | -15.649 | -15.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 574 | ALA | 0 | -0.040 | -0.021 | 19.180 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 575 | LYS | 1 | 0.843 | 0.903 | 15.858 | 17.864 | 17.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 576 | ARG | 1 | 0.954 | 0.966 | 14.764 | 14.548 | 14.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 577 | PRO | 0 | 0.080 | 0.072 | 12.654 | 1.244 | 1.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 578 | LEU | 0 | -0.062 | -0.035 | 15.267 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 579 | SER | 0 | -0.026 | -0.017 | 17.222 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 580 | ALA | 0 | 0.055 | 0.020 | 15.412 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 581 | SER | 0 | 0.027 | 0.031 | 16.465 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 582 | VAL | 0 | -0.040 | -0.016 | 18.980 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 583 | ASN | 0 | -0.012 | -0.006 | 16.310 | -1.761 | -1.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 584 | VAL | 0 | -0.037 | -0.027 | 18.889 | 0.976 | 0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 585 | VAL | 0 | 0.012 | 0.012 | 18.521 | -0.941 | -0.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 586 | GLY | 0 | 0.011 | 0.000 | 20.930 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 587 | SER | 0 | -0.044 | -0.025 | 22.822 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 588 | TYR | 0 | 0.002 | -0.016 | 25.172 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 589 | THR | 0 | -0.025 | -0.013 | 27.353 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 590 | TYR | 0 | 0.014 | 0.024 | 29.798 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 591 | THR | 0 | -0.012 | -0.022 | 31.995 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 592 | ASP | -1 | -0.913 | -0.956 | 34.037 | -7.797 | -7.797 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 593 | ALA | 0 | 0.020 | 0.010 | 36.410 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 594 | GLU | -1 | -0.859 | -0.933 | 38.181 | -7.177 | -7.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 595 | TYR | 0 | 0.021 | 0.014 | 41.485 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 596 | THR | 0 | -0.021 | -0.042 | 42.339 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 597 | THR | 0 | -0.053 | -0.041 | 44.783 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 598 | ASP | -1 | -0.757 | -0.893 | 46.382 | -6.836 | -6.836 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 599 | THR | 0 | -0.008 | -0.050 | 48.448 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 600 | THR | 0 | -0.066 | -0.021 | 50.880 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 601 | TYR | 0 | -0.009 | -0.016 | 47.375 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 602 | LYS | 1 | 0.895 | 0.960 | 47.739 | 6.342 | 6.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 603 | GLY | 0 | -0.017 | -0.004 | 46.878 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 604 | ASN | 0 | -0.058 | -0.010 | 46.463 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 605 | THR | 0 | -0.049 | -0.030 | 41.231 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 606 | PRO | 0 | 0.012 | 0.000 | 39.158 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 607 | ALA | 0 | 0.027 | 0.025 | 41.019 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 608 | GLN | 0 | -0.060 | -0.048 | 38.227 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 609 | VAL | 0 | -0.004 | 0.009 | 35.475 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 610 | PRO | 0 | -0.030 | -0.005 | 34.543 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 611 | LYS | 1 | 0.881 | 0.937 | 35.666 | 7.765 | 7.765 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 612 | HIS | 0 | 0.007 | 0.008 | 34.404 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 613 | MET | 0 | 0.004 | 0.003 | 30.285 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 614 | ALA | 0 | -0.004 | -0.005 | 29.670 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 615 | SER | 0 | -0.029 | -0.004 | 26.221 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 616 | LEU | 0 | -0.004 | -0.001 | 25.093 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 617 | TRP | 0 | 0.024 | -0.006 | 22.156 | 0.695 | 0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 618 | ALA | 0 | -0.012 | -0.006 | 23.182 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 619 | ASP | -1 | -0.808 | -0.886 | 20.674 | -14.501 | -14.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 620 | TYR | 0 | 0.014 | 0.001 | 22.515 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 621 | THR | 0 | -0.007 | 0.006 | 21.136 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 622 | PHE | 0 | -0.008 | 0.000 | 23.163 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 623 | PHE | 0 | 0.029 | 0.011 | 18.524 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 624 | ASP | -1 | -0.874 | -0.919 | 23.969 | -11.221 | -11.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 625 | GLY | 0 | -0.003 | -0.004 | 27.395 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 626 | PRO | 0 | -0.025 | -0.028 | 30.690 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 627 | LEU | 0 | -0.014 | -0.009 | 30.036 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 628 | SER | 0 | -0.028 | -0.009 | 26.034 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 629 | GLY | 0 | 0.071 | 0.030 | 24.190 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 630 | LEU | 0 | -0.044 | -0.001 | 25.271 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 631 | THR | 0 | -0.031 | -0.030 | 22.537 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 632 | LEU | 0 | 0.000 | 0.000 | 25.217 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 633 | GLY | 0 | 0.033 | 0.007 | 25.655 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 634 | THR | 0 | -0.076 | -0.045 | 26.404 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 635 | GLY | 0 | 0.043 | 0.020 | 27.320 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 636 | GLY | 0 | 0.003 | 0.012 | 28.574 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 637 | ARG | 1 | 0.871 | 0.925 | 28.871 | 10.166 | 10.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 638 | TYR | 0 | -0.032 | -0.014 | 31.327 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 639 | THR | 0 | 0.017 | 0.014 | 33.344 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 640 | GLY | 0 | 0.021 | -0.001 | 35.562 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 641 | SER | 0 | -0.022 | -0.014 | 38.094 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 642 | SER | 0 | 0.030 | 0.015 | 39.285 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 643 | TYR | 0 | 0.020 | 0.003 | 41.249 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 644 | GLY | 0 | 0.011 | 0.004 | 43.195 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 645 | ASP | -1 | -0.714 | -0.829 | 45.566 | -6.511 | -6.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 646 | PRO | 0 | 0.006 | 0.003 | 45.193 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 647 | ALA | 0 | 0.018 | 0.008 | 46.456 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 648 | ASN | 0 | -0.080 | -0.049 | 45.049 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 649 | SER | 0 | -0.071 | -0.052 | 48.513 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 650 | PHE | 0 | 0.047 | 0.015 | 47.652 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 651 | LYS | 1 | 0.827 | 0.915 | 43.400 | 7.136 | 7.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 652 | VAL | 0 | 0.009 | 0.026 | 42.191 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 653 | GLY | 0 | 0.011 | -0.006 | 43.358 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 654 | SER | 0 | -0.016 | -0.004 | 39.900 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 655 | TYR | 0 | -0.042 | -0.032 | 35.783 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 656 | THR | 0 | -0.045 | -0.043 | 35.298 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 657 | VAL | 0 | 0.012 | 0.027 | 33.541 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 658 | VAL | 0 | 0.000 | 0.001 | 32.673 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 659 | ASP | -1 | -0.768 | -0.859 | 29.038 | -10.368 | -10.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 660 | ALA | 0 | -0.028 | -0.022 | 29.514 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 661 | LEU | 0 | -0.024 | -0.005 | 23.559 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 662 | VAL | 0 | -0.004 | 0.013 | 28.036 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 663 | ARG | 1 | 0.895 | 0.939 | 20.995 | 13.958 | 13.958 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 664 | TYR | 0 | 0.000 | -0.006 | 26.120 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 665 | ASP | -1 | -0.831 | -0.929 | 21.964 | -13.559 | -13.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 666 | LEU | 0 | -0.022 | -0.015 | 24.107 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 667 | ALA | 0 | 0.031 | 0.021 | 22.073 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 668 | ARG | 1 | 0.825 | 0.907 | 24.133 | 10.678 | 10.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 669 | VAL | 0 | -0.065 | -0.034 | 27.508 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 670 | GLY | 0 | 0.006 | 0.015 | 26.784 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 671 | MET | 0 | -0.047 | -0.021 | 24.565 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 672 | ALA | 0 | 0.060 | 0.013 | 19.954 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 673 | GLY | 0 | -0.001 | 0.010 | 18.462 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 674 | SER | 0 | 0.002 | 0.025 | 19.136 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 675 | ASN | 0 | -0.029 | -0.018 | 21.366 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 676 | VAL | 0 | 0.023 | 0.021 | 24.153 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 677 | ALA | 0 | -0.005 | -0.013 | 25.496 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 678 | LEU | 0 | -0.009 | 0.002 | 27.637 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 679 | HIS | 0 | -0.025 | -0.014 | 24.587 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 680 | VAL | 0 | 0.005 | -0.004 | 29.775 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 681 | ASN | 0 | 0.025 | 0.015 | 29.364 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 682 | ASN | 0 | -0.020 | -0.029 | 32.720 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 683 | LEU | 0 | 0.026 | 0.010 | 34.214 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 684 | PHE | 0 | -0.051 | -0.049 | 36.468 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 685 | ASP | -1 | -0.810 | -0.889 | 39.293 | -7.516 | -7.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 686 | ARG | 1 | 0.865 | 0.956 | 39.327 | 8.018 | 8.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 687 | GLU | -1 | -0.852 | -0.923 | 41.023 | -6.958 | -6.958 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 688 | TYR | 0 | -0.093 | -0.058 | 36.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 689 | VAL | 0 | 0.029 | 0.023 | 42.147 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 690 | ALA | 0 | 0.003 | 0.006 | 37.622 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 691 | SER | 0 | -0.032 | -0.031 | 38.758 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 692 | CYS | 0 | -0.073 | -0.016 | 40.804 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 693 | PHE | 0 | 0.019 | 0.021 | 42.262 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 694 | ASN | 0 | 0.028 | -0.001 | 43.805 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 695 | THR | 0 | -0.031 | -0.038 | 47.644 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 696 | TYR | 0 | -0.023 | -0.011 | 48.933 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 697 | GLY | 0 | 0.019 | 0.011 | 46.831 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 699 | PHE | 0 | 0.019 | 0.004 | 40.959 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 700 | TRP | 0 | 0.013 | 0.006 | 42.265 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 701 | GLY | 0 | 0.010 | -0.009 | 39.011 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 702 | ALA | 0 | -0.020 | 0.002 | 35.879 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 703 | GLU | -1 | -0.822 | -0.892 | 37.976 | -7.616 | -7.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 704 | ARG | 1 | 0.764 | 0.870 | 37.339 | 7.607 | 7.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 705 | GLN | 0 | 0.014 | 0.022 | 34.063 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 706 | VAL | 0 | -0.024 | -0.014 | 34.069 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 707 | VAL | 0 | 0.004 | -0.004 | 30.147 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 708 | ALA | 0 | -0.011 | 0.009 | 31.165 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 709 | THR | 0 | -0.007 | -0.027 | 25.623 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 710 | ALA | 0 | -0.002 | 0.005 | 27.269 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 711 | THR | 0 | -0.024 | -0.024 | 22.057 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 712 | PHE | 0 | 0.014 | 0.007 | 23.521 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 713 | ARG | 1 | 0.832 | 0.895 | 15.148 | 16.779 | 16.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 714 | PHE | -1 | -0.892 | -0.937 | 20.165 | -13.327 | -13.327 | 0.000 | 0.000 | 0.000 | 0.000 |