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: 4Q8QN
Calculation Name: 1KEH-A-Xray547
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1KEH
Chain ID: A
UniProt ID: Q9L5D6
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 | 683 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -16789701.008651 |
|---|---|
| FMO2-HF: Nuclear repulsion | 16524915.068068 |
| FMO2-HF: Total energy | -264785.940583 |
| FMO2-MP2: Total energy | -265567.744525 |
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:7:GLN)
Summations of interaction energy for
fragment #1(A:7: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. |
| -165.99 | -162.975 | 0.025 | -1.514 | -1.527 | -0.002 |
Interaction energy analysis for fragmet #1(A:7: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 | 9 | PRO | 0 | 0.060 | 0.023 | 3.307 | -15.378 | -13.388 | 0.018 | -1.056 | -0.952 | -0.002 |
| 347 | A | 353 | ARG | 1 | 0.832 | 0.896 | 2.980 | 53.404 | 54.292 | 0.007 | -0.421 | -0.474 | 0.000 |
| 628 | A | 634 | THR | 0 | -0.086 | -0.032 | 3.666 | -4.865 | -4.728 | 0.000 | -0.037 | -0.101 | 0.000 |
| 4 | A | 10 | ILE | 0 | -0.026 | -0.002 | 6.051 | -0.841 | -0.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 11 | ALA | 0 | -0.011 | -0.012 | 7.689 | 1.671 | 1.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 12 | ALA | 0 | 0.040 | 0.026 | 10.669 | 0.959 | 0.959 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 13 | TYR | 0 | 0.001 | -0.008 | 13.599 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 14 | LYS | 1 | 0.905 | 0.947 | 15.722 | 17.856 | 17.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 15 | PRO | 0 | -0.016 | 0.007 | 19.376 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 16 | ARG | 1 | 0.936 | 0.951 | 22.723 | 13.056 | 13.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 17 | SER | 0 | 0.002 | -0.001 | 25.869 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 18 | ASN | 0 | 0.041 | 0.044 | 27.423 | -0.771 | -0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 19 | GLU | -1 | -0.818 | -0.902 | 26.399 | -11.208 | -11.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 20 | ILE | 0 | -0.010 | 0.009 | 27.999 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 21 | LEU | 0 | -0.042 | -0.014 | 24.444 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 22 | TRP | 0 | 0.032 | 0.012 | 27.501 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 23 | ASP | -1 | -0.732 | -0.863 | 26.441 | -11.429 | -11.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 24 | GLY | 0 | 0.003 | -0.005 | 28.998 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 25 | TYR | 0 | -0.043 | -0.016 | 28.858 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 26 | GLY | 0 | -0.023 | -0.002 | 31.326 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 27 | VAL | 0 | -0.030 | -0.006 | 25.444 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 28 | PRO | 0 | -0.048 | -0.005 | 28.061 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 29 | HIS | 1 | 0.829 | 0.883 | 22.135 | 12.754 | 12.754 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 30 | ILE | 0 | -0.028 | -0.005 | 25.157 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 31 | TYR | 0 | 0.016 | -0.006 | 20.412 | -0.998 | -0.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 32 | GLY | 0 | 0.033 | 0.017 | 24.700 | 0.577 | 0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 33 | VAL | 0 | -0.023 | -0.036 | 24.751 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 34 | ASP | -1 | -0.824 | -0.894 | 25.322 | -10.895 | -10.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 35 | ALA | 0 | 0.034 | 0.014 | 25.107 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 36 | PRO | 0 | 0.061 | 0.022 | 26.627 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 37 | SER | 0 | 0.001 | -0.009 | 28.751 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 38 | ALA | 0 | 0.005 | -0.001 | 25.717 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 39 | PHE | 0 | -0.036 | -0.015 | 26.632 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 40 | TYR | 0 | 0.027 | 0.019 | 30.016 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 41 | GLY | 0 | 0.015 | 0.000 | 30.470 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 42 | TYR | 0 | 0.015 | -0.004 | 28.585 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 43 | GLY | 0 | 0.025 | 0.013 | 30.541 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 44 | TRP | 0 | 0.016 | 0.004 | 34.044 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 45 | ALA | 0 | -0.030 | -0.016 | 31.463 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 46 | GLN | 0 | 0.020 | -0.003 | 31.107 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 47 | ALA | 0 | -0.016 | -0.009 | 34.651 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 48 | ARG | 1 | 0.837 | 0.884 | 36.006 | 8.683 | 8.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 49 | SER | 0 | -0.048 | -0.013 | 34.569 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 50 | HIS | 0 | -0.009 | -0.015 | 34.387 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 51 | GLY | 0 | 0.088 | 0.049 | 38.789 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 52 | ASP | -1 | -0.816 | -0.894 | 40.697 | -6.932 | -6.932 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 53 | ASN | 0 | 0.022 | -0.003 | 41.096 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 54 | ILE | 0 | -0.034 | 0.006 | 36.613 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 55 | LEU | 0 | 0.019 | 0.009 | 40.785 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 56 | ARG | 1 | 0.902 | 0.932 | 44.044 | 6.529 | 6.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 57 | LEU | 0 | 0.005 | 0.006 | 40.203 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 58 | TYR | 0 | -0.034 | -0.041 | 37.033 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 59 | GLY | 0 | 0.018 | 0.006 | 43.733 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 60 | GLU | -1 | -0.817 | -0.916 | 46.147 | -6.672 | -6.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 61 | ALA | 0 | -0.032 | -0.005 | 43.493 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 62 | ARG | 1 | 0.727 | 0.822 | 45.480 | 6.872 | 6.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 63 | GLY | 0 | -0.026 | -0.008 | 47.939 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 64 | LYS | 1 | 0.821 | 0.894 | 50.281 | 6.143 | 6.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 65 | GLY | 0 | 0.061 | 0.031 | 51.108 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 66 | ALA | 0 | -0.005 | 0.006 | 51.822 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 67 | GLU | -1 | -0.798 | -0.885 | 55.078 | -5.639 | -5.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 68 | TYR | 0 | 0.005 | 0.008 | 49.749 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 69 | TRP | 0 | -0.050 | -0.043 | 48.236 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 70 | GLY | 0 | 0.032 | 0.042 | 54.892 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 71 | PRO | 0 | 0.010 | -0.023 | 56.348 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 72 | ASP | -1 | -0.882 | -0.928 | 54.150 | -5.722 | -5.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 73 | TYR | 0 | 0.037 | 0.029 | 49.273 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 74 | GLU | -1 | -0.783 | -0.840 | 53.155 | -5.398 | -5.398 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 75 | GLN | 0 | 0.018 | 0.008 | 53.652 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 76 | THR | 0 | 0.001 | 0.001 | 48.040 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 77 | THR | 0 | -0.018 | -0.013 | 50.812 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 78 | VAL | 0 | 0.025 | 0.009 | 52.778 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 79 | TRP | 0 | -0.005 | 0.019 | 46.832 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 80 | LEU | 0 | 0.007 | -0.003 | 46.139 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 81 | LEU | 0 | -0.002 | 0.003 | 49.559 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 82 | THR | 0 | -0.046 | -0.035 | 52.507 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 83 | ASN | 0 | -0.042 | -0.023 | 48.092 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 84 | GLY | 0 | -0.004 | 0.004 | 48.418 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 85 | VAL | 0 | -0.026 | -0.006 | 44.205 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 86 | PRO | 0 | 0.041 | 0.014 | 45.312 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 87 | GLU | -1 | -0.963 | -0.973 | 46.570 | -6.240 | -6.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 88 | ARG | 1 | 0.843 | 0.903 | 42.904 | 6.869 | 6.869 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 89 | ALA | 0 | 0.019 | 0.024 | 41.838 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 90 | GLN | 0 | 0.017 | 0.011 | 41.784 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 91 | GLN | 0 | -0.031 | -0.017 | 42.899 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 92 | TRP | 0 | -0.014 | -0.019 | 37.728 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 93 | TYR | 0 | -0.047 | -0.037 | 38.129 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 94 | ALA | 0 | -0.008 | -0.009 | 38.521 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 95 | GLN | 0 | -0.046 | -0.039 | 38.015 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 96 | GLN | 0 | -0.085 | -0.034 | 33.653 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 97 | SER | 0 | 0.012 | -0.020 | 29.952 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 98 | PRO | 0 | -0.024 | -0.036 | 32.603 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 99 | ASP | -1 | -0.880 | -0.928 | 27.775 | -10.463 | -10.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 100 | PHE | 0 | 0.005 | -0.005 | 27.775 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 101 | ARG | 1 | 0.854 | 0.933 | 30.889 | 8.411 | 8.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 102 | ALA | 0 | 0.047 | 0.026 | 32.381 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 103 | ASN | 0 | -0.006 | -0.002 | 27.539 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 104 | LEU | 0 | -0.024 | -0.010 | 31.699 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 105 | ASP | -1 | -0.820 | -0.911 | 34.591 | -8.038 | -8.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 106 | ALA | 0 | -0.008 | 0.010 | 33.128 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 107 | PHE | 0 | -0.023 | 0.002 | 31.868 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 108 | ALA | 0 | 0.001 | -0.004 | 34.580 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 109 | ALA | 0 | -0.013 | -0.008 | 37.643 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 110 | GLY | 0 | 0.023 | 0.018 | 35.802 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 111 | ILE | 0 | -0.044 | -0.021 | 36.832 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 112 | ASN | 0 | -0.022 | -0.022 | 39.024 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 113 | ALA | 0 | -0.013 | 0.001 | 38.976 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 114 | TYR | 0 | -0.043 | -0.033 | 38.490 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 115 | ALA | 0 | 0.022 | 0.000 | 40.497 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 116 | GLN | 0 | -0.072 | -0.026 | 43.712 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 117 | GLN | 0 | -0.084 | -0.038 | 41.494 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 118 | ASN | 0 | -0.035 | -0.016 | 41.957 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 119 | PRO | 0 | 0.007 | 0.005 | 44.781 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 120 | ASP | -1 | -0.968 | -0.996 | 47.144 | -6.666 | -6.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 121 | ASP | -1 | -0.810 | -0.885 | 43.081 | -7.342 | -7.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 122 | ILE | 0 | -0.051 | -0.003 | 43.133 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 123 | SER | 0 | 0.036 | 0.008 | 46.561 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 124 | PRO | 0 | 0.007 | -0.030 | 49.163 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 125 | GLU | -1 | -0.816 | -0.891 | 52.170 | -5.901 | -5.901 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 126 | VAL | 0 | 0.006 | 0.016 | 46.566 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 127 | ARG | 1 | 0.907 | 0.956 | 48.575 | 6.239 | 6.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 128 | GLN | 0 | -0.066 | -0.030 | 50.066 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 129 | VAL | 0 | -0.057 | -0.018 | 45.993 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 130 | LEU | 0 | -0.021 | 0.025 | 44.665 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 131 | PRO | 0 | -0.015 | -0.005 | 45.587 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 132 | VAL | 0 | -0.012 | -0.013 | 40.880 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 133 | SER | 0 | 0.011 | -0.015 | 42.181 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 134 | GLY | 0 | 0.080 | 0.025 | 38.440 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 135 | ALA | 0 | 0.014 | 0.001 | 38.793 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 136 | ASP | -1 | -0.768 | -0.837 | 41.412 | -7.132 | -7.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 137 | VAL | 0 | -0.003 | 0.009 | 35.227 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 138 | VAL | 0 | 0.000 | 0.000 | 36.578 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 139 | ALA | 0 | -0.001 | -0.007 | 38.566 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 140 | HIS | 0 | -0.011 | -0.007 | 37.293 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 141 | ALA | 0 | 0.018 | 0.010 | 35.431 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 142 | HIS | 0 | -0.008 | 0.001 | 37.187 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 143 | ARG | 1 | 0.845 | 0.899 | 39.739 | 7.191 | 7.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 144 | LEU | 0 | 0.011 | 0.010 | 35.501 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 145 | MET | 0 | 0.012 | 0.006 | 32.984 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 146 | ASN | 0 | 0.009 | 0.003 | 37.664 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 147 | PHE | 0 | -0.032 | -0.018 | 40.813 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 148 | LEU | 0 | 0.025 | 0.025 | 40.946 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 149 | TYR | 0 | 0.024 | 0.008 | 35.305 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 150 | VAL | 0 | -0.025 | 0.002 | 38.489 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 151 | ALA | 0 | -0.033 | -0.011 | 41.015 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 152 | SER | 0 | 0.074 | 0.041 | 44.447 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 153 | PRO | 0 | 0.029 | 0.008 | 45.860 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 154 | GLY | 0 | 0.074 | 0.042 | 49.343 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 155 | ARG | 1 | 0.854 | 0.917 | 42.379 | 7.342 | 7.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 156 | THR | 0 | -0.028 | -0.014 | 49.707 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 157 | LEU | 0 | -0.002 | -0.012 | 51.810 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 158 | GLY | 0 | -0.054 | -0.017 | 53.399 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 159 | GLU | -1 | -0.946 | -0.969 | 53.212 | -5.798 | -5.798 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 160 | GLY | 0 | -0.031 | -0.024 | 50.639 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 161 | ASP | -1 | -0.933 | -0.994 | 46.016 | -7.030 | -7.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 162 | PRO | 0 | -0.018 | -0.010 | 48.016 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 163 | PRO | 0 | -0.046 | -0.021 | 46.536 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 164 | ASP | 0 | 0.079 | 0.033 | 41.090 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 165 | LEU | 0 | -0.071 | -0.016 | 42.771 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 166 | ALA | 0 | -0.010 | -0.034 | 40.953 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 167 | ASP | -1 | -0.910 | -0.943 | 39.362 | -7.566 | -7.566 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 168 | GLN | 0 | 0.054 | 0.049 | 37.322 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 169 | GLY | 0 | 0.012 | -0.004 | 35.573 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 170 | ALA | 0 | -0.036 | -0.024 | 30.012 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 171 | ASN | 0 | -0.001 | 0.008 | 28.426 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 172 | SER | 0 | -0.048 | -0.025 | 24.873 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 173 | TRP | 0 | 0.006 | -0.021 | 22.552 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 174 | ALA | 0 | 0.022 | 0.012 | 18.457 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 175 | VAL | 0 | -0.004 | -0.004 | 17.476 | 0.739 | 0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 176 | ALA | 0 | 0.043 | 0.018 | 15.327 | -1.110 | -1.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 177 | PRO | 0 | 0.028 | 0.019 | 11.169 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 178 | GLY | 0 | -0.011 | -0.004 | 13.293 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 179 | LYS | 1 | 0.822 | 0.935 | 16.106 | 14.325 | 14.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 180 | THR | 0 | -0.068 | -0.049 | 14.044 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 181 | ALA | 0 | 0.052 | 0.040 | 15.520 | -0.703 | -0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 182 | ASN | 0 | -0.121 | -0.081 | 11.376 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 183 | GLY | 0 | -0.016 | 0.013 | 10.349 | -2.595 | -2.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 184 | ASN | 0 | -0.046 | -0.041 | 8.238 | -5.459 | -5.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 185 | ALA | 0 | 0.036 | 0.022 | 10.583 | 1.989 | 1.989 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 186 | LEU | 0 | -0.024 | -0.006 | 12.976 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 187 | LEU | 0 | -0.014 | -0.004 | 15.976 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 188 | LEU | 0 | -0.027 | 0.000 | 18.523 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 189 | GLN | 0 | -0.012 | -0.013 | 21.019 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 190 | ASN | 0 | 0.000 | -0.004 | 24.182 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 191 | PRO | 0 | 0.024 | 0.020 | 27.799 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 192 | HIS | 0 | -0.096 | -0.046 | 30.822 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 193 | LEU | 0 | 0.007 | 0.014 | 34.283 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 194 | SER | 0 | 0.069 | 0.020 | 36.573 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 195 | TRP | 0 | -0.031 | -0.033 | 36.192 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 196 | THR | 0 | -0.007 | 0.000 | 39.620 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 197 | THR | 0 | -0.007 | 0.001 | 40.790 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 198 | ASP | -1 | -0.791 | -0.882 | 39.938 | -7.597 | -7.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 199 | TYR | 0 | -0.010 | -0.022 | 38.866 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 200 | PHE | 0 | -0.055 | -0.048 | 36.466 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 201 | THR | 0 | -0.033 | -0.003 | 35.810 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 202 | TYR | 0 | -0.029 | -0.030 | 30.279 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 203 | TYR | 0 | -0.002 | -0.014 | 30.838 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 204 | GLU | -1 | -0.715 | -0.820 | 25.092 | -12.396 | -12.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 205 | ALA | 0 | 0.026 | 0.000 | 25.838 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 206 | HIS | 0 | -0.021 | -0.015 | 18.273 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 207 | LEU | 0 | 0.001 | 0.009 | 22.302 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 208 | VAL | 0 | -0.004 | -0.007 | 18.733 | -0.883 | -0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 209 | THR | 0 | 0.023 | 0.017 | 20.350 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 210 | PRO | 0 | -0.044 | -0.030 | 19.590 | -0.909 | -0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 211 | ASP | -1 | -0.890 | -0.941 | 17.522 | -16.162 | -16.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 212 | PHE | 0 | 0.010 | 0.006 | 17.486 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 213 | GLU | -1 | -0.815 | -0.907 | 14.802 | -19.442 | -19.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 214 | ILE | 0 | -0.026 | -0.012 | 17.697 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 215 | TYR | 0 | -0.020 | -0.025 | 18.988 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 216 | GLY | 0 | 0.011 | 0.006 | 20.510 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 217 | ALA | 0 | 0.029 | 0.017 | 22.931 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 218 | THR | 0 | -0.082 | -0.050 | 26.538 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 219 | GLN | 0 | 0.074 | 0.055 | 29.323 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 220 | ILE | 0 | 0.032 | 0.015 | 33.155 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 221 | GLY | 0 | 0.036 | 0.019 | 35.177 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 222 | LEU | 0 | -0.026 | 0.001 | 31.828 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 223 | PRO | 0 | -0.001 | 0.010 | 31.399 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 224 | VAL | 0 | 0.003 | -0.003 | 25.863 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 225 | ILE | 0 | -0.025 | 0.008 | 23.250 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 226 | ARG | 1 | 0.906 | 0.942 | 24.662 | 10.066 | 10.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 227 | PHE | 0 | -0.045 | -0.014 | 23.930 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 228 | ALA | 0 | 0.049 | 0.024 | 20.617 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 229 | PHE | 0 | 0.013 | -0.011 | 15.359 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 230 | ASN | 0 | 0.023 | 0.017 | 14.097 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 231 | GLN | 0 | -0.006 | -0.017 | 9.622 | -2.708 | -2.708 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 232 | ARG | 1 | 0.754 | 0.870 | 9.248 | 19.565 | 19.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 233 | MET | 0 | 0.007 | 0.017 | 10.903 | -0.983 | -0.983 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 234 | GLY | 0 | 0.050 | 0.007 | 13.652 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 235 | ILE | 0 | -0.038 | -0.008 | 17.069 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 236 | THR | 0 | -0.016 | -0.010 | 20.574 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 237 | ASN | 0 | -0.011 | -0.006 | 23.735 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 238 | THR | 0 | 0.001 | 0.001 | 27.380 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 239 | VAL | 0 | 0.015 | 0.009 | 30.568 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 240 | ASN | 0 | 0.030 | 0.014 | 33.085 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 241 | GLY | 0 | 0.006 | 0.008 | 34.993 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 242 | MET | 0 | -0.043 | 0.007 | 36.187 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 243 | VAL | 0 | 0.022 | 0.016 | 38.248 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 244 | GLY | 0 | 0.037 | 0.004 | 40.335 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 245 | ALA | 0 | -0.014 | -0.010 | 41.136 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 246 | THR | 0 | -0.036 | -0.016 | 44.853 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 247 | ASN | 0 | 0.052 | 0.043 | 48.346 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 248 | TYR | 0 | -0.020 | -0.046 | 50.230 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 249 | ARG | 1 | 0.988 | 0.994 | 54.622 | 5.378 | 5.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 250 | LEU | 0 | -0.048 | -0.026 | 57.723 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 251 | THR | 0 | -0.004 | 0.004 | 60.488 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 252 | LEU | 0 | -0.018 | -0.007 | 63.350 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 253 | GLN | 0 | 0.002 | -0.009 | 65.820 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 254 | ASP | -1 | -0.877 | -0.941 | 68.482 | -4.461 | -4.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 255 | GLY | 0 | -0.030 | -0.009 | 69.306 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 256 | GLY | 0 | -0.045 | -0.022 | 65.393 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 257 | TYR | 0 | -0.008 | -0.016 | 59.258 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 258 | LEU | 0 | 0.003 | 0.015 | 64.073 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 259 | TYR | 0 | -0.017 | -0.035 | 56.011 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 260 | ASP | -1 | -0.809 | -0.866 | 59.029 | -5.360 | -5.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 261 | GLY | 0 | -0.017 | -0.003 | 62.177 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 262 | GLN | 0 | -0.010 | -0.007 | 64.890 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 263 | VAL | 0 | 0.027 | 0.016 | 65.073 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 264 | ARG | 1 | 0.935 | 0.979 | 57.821 | 5.375 | 5.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 265 | PRO | 0 | 0.032 | 0.008 | 64.149 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 266 | PHE | 0 | -0.027 | -0.012 | 60.359 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 267 | GLU | -1 | -0.933 | -0.950 | 55.912 | -5.602 | -5.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 268 | ARG | 1 | 0.814 | 0.874 | 59.856 | 4.809 | 4.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 269 | ARG | 1 | 0.991 | 0.996 | 53.969 | 5.814 | 5.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 270 | GLN | 0 | 0.009 | 0.004 | 60.235 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 271 | ALA | 0 | -0.010 | 0.002 | 58.173 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 272 | SER | 0 | -0.023 | -0.020 | 59.755 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 273 | TYR | 0 | -0.071 | -0.056 | 56.946 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 274 | ARG | 1 | 0.826 | 0.910 | 57.570 | 5.529 | 5.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 275 | LEU | 0 | -0.019 | -0.004 | 58.319 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 276 | ARG | 1 | 0.844 | 0.913 | 56.343 | 5.680 | 5.680 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 277 | GLN | 0 | -0.014 | -0.011 | 60.360 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 278 | ALA | 0 | 0.022 | -0.002 | 62.587 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 279 | ASP | -1 | -0.863 | -0.904 | 63.992 | -4.851 | -4.851 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 280 | GLY | 0 | -0.040 | -0.017 | 61.915 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 281 | SER | 0 | -0.079 | -0.049 | 62.378 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 282 | THR | 0 | 0.004 | -0.016 | 59.996 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 283 | VAL | 0 | -0.009 | 0.000 | 63.064 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 284 | ASP | -1 | -0.825 | -0.909 | 62.873 | -5.233 | -5.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 285 | LYS | 1 | 0.828 | 0.905 | 61.648 | 5.283 | 5.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 286 | PRO | 0 | -0.010 | -0.019 | 62.014 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 287 | LEU | 0 | 0.006 | 0.004 | 56.780 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 288 | GLU | -1 | -0.830 | -0.896 | 61.064 | -4.977 | -4.977 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 289 | ILE | 0 | -0.008 | 0.006 | 55.069 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 290 | ARG | 1 | 0.938 | 0.979 | 58.410 | 5.180 | 5.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 291 | SER | 0 | 0.035 | 0.017 | 54.922 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 292 | SER | 0 | -0.016 | -0.004 | 55.738 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 293 | VAL | 0 | -0.009 | -0.008 | 54.163 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 294 | HIS | 1 | 0.860 | 0.931 | 52.124 | 5.635 | 5.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 295 | GLY | 0 | 0.050 | 0.043 | 50.731 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 296 | PRO | 0 | 0.043 | 0.022 | 50.907 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 297 | VAL | 0 | -0.045 | -0.029 | 53.781 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 298 | PHE | 0 | 0.010 | 0.004 | 52.408 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 299 | GLU | -1 | -0.966 | -0.993 | 57.397 | -4.981 | -4.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 300 | ARG | 1 | 0.848 | 0.944 | 54.125 | 5.722 | 5.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 301 | ALA | 0 | 0.038 | 0.017 | 59.953 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 302 | ASP | -1 | -0.875 | -0.918 | 60.417 | -5.218 | -5.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 303 | GLY | 0 | 0.032 | 0.019 | 63.434 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 304 | THR | 0 | -0.120 | -0.087 | 59.443 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 305 | ALA | 0 | 0.031 | 0.019 | 60.351 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 306 | VAL | 0 | -0.025 | -0.018 | 54.255 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 307 | ALA | 0 | -0.030 | -0.006 | 54.672 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 308 | VAL | 0 | 0.005 | 0.008 | 48.599 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 309 | ARG | 1 | 0.799 | 0.897 | 47.107 | 6.494 | 6.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 310 | VAL | 0 | 0.022 | -0.001 | 42.660 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 311 | ALA | 0 | -0.004 | 0.003 | 40.702 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 312 | GLY | 0 | 0.023 | 0.001 | 38.507 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 313 | LEU | 0 | -0.027 | -0.019 | 39.048 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 314 | ASP | -1 | -0.830 | -0.916 | 39.463 | -7.809 | -7.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 315 | ARG | 1 | 0.740 | 0.882 | 35.041 | 8.279 | 8.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 316 | PRO | 0 | 0.069 | 0.042 | 35.761 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 317 | GLY | 0 | 0.046 | 0.034 | 32.001 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 318 | MET | 0 | -0.038 | -0.009 | 30.596 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 319 | LEU | 0 | 0.016 | -0.011 | 30.103 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 320 | GLU | -1 | -0.801 | -0.867 | 27.438 | -10.730 | -10.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 321 | GLN | 0 | 0.028 | 0.007 | 26.234 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 322 | TYR | 0 | -0.009 | -0.037 | 25.084 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 323 | PHE | 0 | 0.023 | 0.010 | 23.459 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 324 | ASP | -1 | -0.748 | -0.847 | 21.825 | -13.017 | -13.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 325 | MET | 0 | -0.076 | -0.022 | 20.361 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 326 | ILE | 0 | -0.045 | -0.028 | 19.552 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 327 | THR | 0 | -0.046 | -0.035 | 17.974 | -0.801 | -0.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 328 | ALA | 0 | -0.009 | 0.022 | 16.716 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 329 | HIS | 0 | 0.027 | -0.001 | 12.114 | -2.201 | -2.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 330 | SER | 0 | -0.042 | -0.035 | 11.215 | -1.672 | -1.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 331 | PHE | 0 | 0.046 | 0.003 | 12.921 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 332 | ASP | -1 | -0.867 | -0.932 | 15.060 | -16.121 | -16.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 333 | ASP | -1 | -0.865 | -0.916 | 15.121 | -16.308 | -16.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 334 | TYR | 0 | -0.014 | -0.004 | 17.515 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 335 | GLU | -1 | -0.827 | -0.906 | 19.298 | -12.624 | -12.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 336 | ALA | 0 | -0.012 | -0.004 | 20.805 | 0.744 | 0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 337 | ALA | 0 | -0.044 | -0.018 | 21.837 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 338 | MET | 0 | -0.020 | -0.015 | 23.369 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 339 | ALA | 0 | 0.001 | -0.007 | 25.188 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 340 | ARG | 1 | 0.811 | 0.892 | 24.109 | 12.019 | 12.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 341 | MET | 0 | -0.056 | 0.002 | 29.291 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 342 | GLN | 0 | 0.016 | -0.010 | 30.789 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 343 | VAL | 0 | 0.002 | 0.012 | 29.037 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 344 | PRO | 0 | 0.009 | 0.008 | 32.032 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 345 | THR | 0 | -0.025 | -0.021 | 33.782 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 346 | PHE | 0 | 0.037 | 0.021 | 30.455 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 347 | ASN | 0 | -0.006 | 0.020 | 28.972 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 348 | ILE | 0 | 0.001 | -0.005 | 23.967 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 349 | VAL | 0 | -0.031 | -0.015 | 21.399 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 350 | TYR | 0 | -0.044 | -0.049 | 14.259 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 351 | ALA | 0 | 0.017 | 0.000 | 15.025 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 352 | ASP | -1 | -0.753 | -0.844 | 11.669 | -22.998 | -22.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 354 | GLU | -1 | -0.876 | -0.922 | 7.022 | -36.434 | -36.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 355 | GLY | 0 | -0.026 | -0.011 | 8.947 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 356 | THR | 0 | -0.061 | -0.019 | 11.393 | 2.212 | 2.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 357 | ILE | 0 | -0.030 | -0.015 | 14.649 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 358 | ASN | 0 | 0.033 | 0.009 | 17.588 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 359 | TYR | 0 | -0.027 | -0.023 | 20.931 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 360 | SER | 0 | 0.030 | -0.001 | 24.476 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 361 | PHE | 0 | 0.033 | 0.011 | 27.114 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 362 | ASN | 0 | -0.040 | -0.038 | 28.850 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 363 | GLY | 0 | 0.011 | -0.004 | 30.902 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 364 | VAL | 0 | -0.039 | -0.010 | 33.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 365 | ALA | 0 | 0.030 | 0.008 | 36.327 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 366 | PRO | 0 | -0.021 | -0.011 | 38.541 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 367 | LYS | 1 | 0.847 | 0.933 | 38.762 | 7.747 | 7.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 368 | ARG | 1 | 0.823 | 0.915 | 41.874 | 7.420 | 7.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 369 | ALA | 0 | 0.019 | 0.010 | 45.292 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 370 | GLU | -1 | -0.821 | -0.878 | 47.917 | -5.816 | -5.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 371 | GLY | 0 | 0.036 | 0.030 | 48.819 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 372 | ASP | -1 | -0.846 | -0.927 | 46.508 | -6.640 | -6.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 373 | ILE | 0 | 0.030 | 0.002 | 41.517 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 374 | ALA | 0 | 0.002 | 0.008 | 45.525 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 375 | PHE | 0 | -0.038 | -0.022 | 48.556 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 376 | TRP | 0 | -0.067 | -0.063 | 46.486 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 377 | GLN | 0 | -0.032 | -0.007 | 43.392 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 378 | GLY | 0 | 0.000 | 0.020 | 48.023 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 379 | ASN | 0 | -0.059 | -0.038 | 51.877 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 380 | VAL | 0 | 0.019 | 0.025 | 50.844 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 381 | PRO | 0 | 0.006 | -0.003 | 54.236 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 382 | GLY | 0 | 0.015 | 0.005 | 56.208 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 383 | ASP | -1 | -0.892 | -0.952 | 57.455 | -5.242 | -5.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 384 | SER | 0 | -0.027 | -0.028 | 57.996 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 385 | SER | 0 | -0.055 | -0.058 | 55.069 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 386 | ARG | 1 | 0.804 | 0.882 | 53.654 | 5.526 | 5.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 387 | TYR | 0 | 0.013 | 0.005 | 52.014 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 388 | LEU | 0 | -0.055 | -0.005 | 50.805 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 389 | TRP | 0 | 0.047 | 0.023 | 44.179 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 390 | THR | 0 | -0.022 | -0.024 | 45.859 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 391 | GLU | -1 | -0.813 | -0.888 | 41.296 | -7.541 | -7.541 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 392 | THR | 0 | -0.011 | -0.011 | 37.921 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 393 | HIS | 0 | -0.025 | -0.024 | 35.610 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 394 | PRO | 0 | 0.014 | 0.010 | 32.395 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 395 | LEU | 0 | 0.084 | 0.025 | 25.528 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 396 | ASP | -1 | -0.873 | -0.931 | 27.339 | -11.012 | -11.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 397 | ASP | -1 | -0.842 | -0.888 | 30.132 | -8.500 | -8.500 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 398 | LEU | 0 | -0.054 | -0.017 | 31.200 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 399 | PRO | 0 | -0.083 | -0.045 | 31.084 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 400 | ARG | 1 | 0.817 | 0.898 | 23.489 | 11.848 | 11.848 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 401 | VAL | 0 | -0.042 | -0.020 | 24.161 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 402 | THR | 0 | 0.047 | 0.015 | 19.021 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 403 | ASN | 0 | -0.022 | -0.006 | 15.879 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 404 | PRO | 0 | 0.025 | 0.028 | 19.687 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 405 | PRO | 0 | 0.011 | -0.019 | 22.073 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 406 | GLY | 0 | 0.021 | 0.029 | 23.846 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 407 | GLY | 0 | -0.004 | 0.002 | 20.012 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 408 | PHE | 0 | -0.003 | -0.015 | 19.637 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 409 | VAL | 0 | -0.007 | 0.009 | 21.290 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 410 | GLN | 0 | -0.034 | -0.032 | 23.514 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 411 | ASN | 0 | -0.012 | 0.003 | 26.267 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 412 | SER | 0 | 0.036 | 0.009 | 29.027 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 413 | ASN | 0 | 0.004 | 0.012 | 31.794 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 414 | ASP | -1 | -0.822 | -0.886 | 32.668 | -9.364 | -9.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 415 | PRO | 0 | -0.002 | -0.005 | 34.356 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 416 | PRO | 0 | 0.050 | 0.041 | 32.541 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 417 | TRP | 0 | -0.069 | -0.055 | 32.850 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 418 | THR | 0 | 0.033 | 0.004 | 31.826 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 419 | PRO | 0 | 0.009 | 0.028 | 27.870 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 420 | THR | 0 | -0.032 | -0.035 | 24.772 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 421 | TRP | 0 | -0.002 | 0.011 | 27.049 | 0.577 | 0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 422 | PRO | 0 | 0.012 | -0.002 | 27.353 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 423 | VAL | 0 | 0.019 | 0.009 | 28.577 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 424 | THR | 0 | 0.008 | -0.008 | 26.130 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 425 | TYR | 0 | -0.054 | -0.029 | 29.452 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 426 | CYS | 0 | -0.037 | -0.016 | 32.778 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 427 | PRO | 0 | 0.049 | 0.001 | 36.411 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 428 | ALA | 0 | -0.007 | -0.001 | 38.897 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 429 | ASN | 0 | -0.017 | 0.000 | 35.313 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 430 | HIS | 1 | 0.885 | 0.940 | 32.548 | 9.013 | 9.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 431 | PRO | 0 | 0.047 | 0.040 | 37.928 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 432 | SER | 0 | 0.023 | -0.002 | 40.611 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 433 | TYR | 0 | -0.028 | -0.046 | 40.965 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 434 | LEU | 0 | -0.039 | -0.003 | 36.158 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 435 | ALA | 0 | 0.034 | 0.001 | 37.201 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 436 | PRO | 0 | 0.013 | 0.014 | 39.195 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 437 | GLN | 0 | -0.002 | 0.003 | 40.091 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 438 | THR | 0 | 0.018 | 0.011 | 41.339 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 439 | PRO | 0 | 0.032 | 0.000 | 40.880 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 440 | HIS | 0 | -0.016 | 0.018 | 35.150 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 441 | SER | 0 | 0.074 | 0.039 | 37.060 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 442 | LEU | 0 | 0.025 | 0.009 | 37.381 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 443 | ARG | 1 | 0.840 | 0.931 | 32.804 | 9.053 | 9.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 444 | ALA | 0 | 0.041 | 0.019 | 32.986 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 445 | GLN | 0 | -0.084 | -0.040 | 32.899 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 446 | GLN | 0 | 0.045 | 0.018 | 33.252 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 447 | SER | 0 | -0.012 | 0.009 | 29.007 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 448 | VAL | 0 | 0.022 | 0.006 | 28.626 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 449 | ARG | 1 | 0.768 | 0.872 | 29.317 | 8.914 | 8.914 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 450 | LEU | 0 | -0.034 | -0.011 | 27.984 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 451 | MET | 0 | -0.012 | 0.009 | 23.442 | -0.685 | -0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 452 | SER | 0 | -0.063 | -0.056 | 24.998 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 453 | GLU | -1 | -0.840 | -0.889 | 27.416 | -9.536 | -9.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 454 | ASN | 0 | -0.047 | -0.017 | 24.687 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 455 | ASP | -1 | -0.827 | -0.923 | 22.069 | -14.345 | -14.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 456 | ASP | -1 | -0.914 | -0.956 | 19.102 | -15.790 | -15.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 457 | LEU | 0 | -0.022 | 0.002 | 18.935 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 458 | THR | 0 | 0.019 | -0.009 | 17.219 | -0.833 | -0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 459 | LEU | 0 | 0.039 | 0.013 | 16.058 | 0.685 | 0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 460 | GLU | -1 | -0.774 | -0.875 | 18.298 | -15.924 | -15.924 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 461 | ARG | 1 | 0.870 | 0.941 | 21.416 | 12.451 | 12.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 462 | PHE | 0 | 0.042 | 0.011 | 20.287 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 463 | MET | 0 | 0.002 | -0.005 | 20.528 | 0.568 | 0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 464 | ALA | 0 | -0.008 | -0.001 | 24.136 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 465 | LEU | 0 | -0.063 | -0.013 | 24.199 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 466 | GLN | 0 | 0.000 | -0.012 | 25.644 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 467 | PHE | 0 | -0.020 | -0.018 | 26.822 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 468 | SER | 0 | -0.040 | -0.022 | 30.219 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 469 | HIS | 0 | -0.040 | -0.041 | 32.500 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 470 | ARG | 1 | 0.833 | 0.894 | 36.080 | 8.141 | 8.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 471 | ALA | 0 | 0.025 | 0.016 | 37.998 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 472 | VAL | 0 | 0.006 | 0.000 | 37.867 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 473 | MET | 0 | -0.010 | -0.006 | 41.112 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 474 | ALA | 0 | 0.017 | 0.023 | 44.356 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 475 | ASP | -1 | -0.787 | -0.877 | 41.407 | -7.447 | -7.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 476 | ARG | 1 | 0.752 | 0.874 | 39.619 | 7.809 | 7.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 477 | THR | 0 | -0.020 | -0.027 | 45.927 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 478 | LEU | 0 | 0.007 | 0.004 | 48.167 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 479 | PRO | 0 | -0.033 | -0.019 | 48.445 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 480 | ASP | -1 | -0.807 | -0.896 | 51.458 | -5.998 | -5.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 481 | LEU | 0 | -0.029 | -0.020 | 53.137 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 482 | ILE | 0 | -0.007 | 0.004 | 52.775 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 483 | PRO | 0 | -0.016 | -0.007 | 55.496 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 484 | ALA | 0 | -0.003 | -0.004 | 58.221 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 485 | ALA | 0 | 0.027 | 0.006 | 58.174 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 486 | LEU | 0 | -0.049 | -0.032 | 57.795 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 487 | ILE | 0 | -0.058 | -0.015 | 61.411 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 488 | ASP | -1 | -0.764 | -0.846 | 63.595 | -4.849 | -4.849 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 489 | PRO | 0 | -0.027 | -0.016 | 65.416 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 490 | ASP | -1 | -0.845 | -0.919 | 65.564 | -4.842 | -4.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 491 | PRO | 0 | 0.000 | -0.008 | 65.066 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 492 | GLU | -1 | -0.804 | -0.888 | 61.960 | -5.184 | -5.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 493 | VAL | 0 | -0.005 | 0.000 | 60.815 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 494 | GLN | 0 | -0.010 | -0.013 | 60.088 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 495 | ALA | 0 | -0.047 | -0.020 | 59.888 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 496 | ALA | 0 | 0.027 | 0.009 | 56.974 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 497 | ALA | 0 | 0.007 | 0.005 | 55.577 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 498 | ARG | 1 | 0.899 | 0.941 | 55.139 | 5.136 | 5.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 499 | LEU | 0 | -0.029 | -0.001 | 52.652 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 500 | LEU | 0 | -0.013 | -0.018 | 50.676 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 501 | ALA | 0 | -0.045 | -0.028 | 50.312 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 502 | ALA | 0 | -0.048 | -0.013 | 50.622 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 503 | TRP | 0 | -0.050 | -0.003 | 43.796 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 504 | ASP | -1 | -0.818 | -0.923 | 42.082 | -7.486 | -7.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 505 | ARG | 1 | 0.857 | 0.918 | 42.693 | 6.829 | 6.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 506 | ASP | -1 | -0.783 | -0.868 | 37.691 | -8.572 | -8.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 507 | PHE | 0 | -0.031 | -0.012 | 39.603 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 508 | THR | 0 | 0.064 | 0.012 | 39.352 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 509 | SER | 0 | 0.001 | -0.033 | 41.050 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 510 | ASP | -1 | -0.884 | -0.922 | 42.891 | -7.167 | -7.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 511 | SER | 0 | -0.001 | 0.003 | 44.481 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 512 | ARG | 1 | 0.888 | 0.919 | 46.279 | 6.084 | 6.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 513 | ALA | 0 | 0.018 | 0.019 | 48.638 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 514 | ALA | 0 | 0.001 | 0.012 | 45.443 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 515 | LEU | 0 | 0.018 | 0.014 | 47.332 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 516 | LEU | 0 | 0.011 | 0.008 | 49.736 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 517 | PHE | 0 | 0.002 | -0.001 | 46.250 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 518 | GLU | -1 | -0.785 | -0.887 | 45.081 | -6.948 | -6.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 519 | GLU | -1 | -0.764 | -0.893 | 48.937 | -6.062 | -6.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 520 | TRP | 0 | -0.018 | -0.007 | 49.857 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 521 | ALA | 0 | 0.003 | 0.003 | 48.092 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 522 | ARG | 1 | 0.831 | 0.905 | 48.362 | 6.422 | 6.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 523 | LEU | 0 | -0.101 | -0.041 | 51.576 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 524 | PHE | 0 | -0.035 | -0.015 | 49.466 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 525 | ALA | 0 | -0.003 | -0.006 | 48.090 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 526 | GLY | 0 | 0.027 | 0.024 | 49.391 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 527 | GLN | 0 | 0.070 | 0.012 | 49.815 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 528 | ASN | 0 | 0.019 | 0.024 | 45.901 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 529 | PHE | 0 | -0.013 | -0.013 | 44.711 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 530 | ALA | 0 | 0.036 | 0.022 | 44.631 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 531 | GLY | 0 | -0.027 | -0.004 | 45.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 532 | GLN | 0 | 0.005 | -0.031 | 45.141 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 533 | ALA | 0 | 0.002 | 0.003 | 49.444 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 534 | ALA | 0 | 0.011 | 0.016 | 52.349 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 535 | PHE | 0 | 0.024 | 0.012 | 46.458 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 536 | ALA | 0 | -0.044 | -0.013 | 51.381 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 537 | THR | 0 | -0.061 | -0.017 | 47.482 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 538 | PRO | 0 | 0.039 | 0.010 | 48.414 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 539 | TRP | 0 | 0.012 | -0.015 | 38.636 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 540 | SER | 0 | -0.002 | -0.003 | 43.274 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 541 | LEU | 0 | 0.027 | 0.012 | 36.932 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 542 | ASP | -1 | -0.882 | -0.937 | 38.782 | -7.692 | -7.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 543 | LYS | 1 | 0.885 | 0.933 | 39.785 | 7.131 | 7.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 544 | PRO | 0 | 0.049 | 0.056 | 35.845 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 545 | VAL | 0 | 0.047 | 0.009 | 33.706 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 546 | SER | 0 | -0.036 | -0.026 | 37.146 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 547 | THR | 0 | -0.048 | 0.006 | 40.377 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 548 | PRO | 0 | 0.023 | 0.015 | 41.894 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 549 | TYR | 0 | -0.011 | -0.018 | 44.851 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 550 | GLY | 0 | 0.074 | 0.049 | 47.291 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 551 | VAL | 0 | -0.043 | -0.027 | 50.658 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 552 | ARG | 1 | 0.871 | 0.934 | 53.674 | 5.712 | 5.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 553 | ASP | -1 | -0.890 | -0.953 | 55.931 | -5.115 | -5.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 554 | PRO | 0 | 0.043 | 0.006 | 57.460 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 555 | LYS | 1 | 0.932 | 0.983 | 58.696 | 5.011 | 5.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 556 | ALA | 0 | 0.048 | 0.012 | 60.352 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 557 | ALA | 0 | 0.012 | 0.005 | 56.029 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 558 | VAL | 0 | 0.015 | 0.018 | 57.754 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 559 | ASP | -1 | -0.812 | -0.892 | 60.155 | -4.969 | -4.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 560 | GLN | 0 | -0.027 | -0.009 | 56.124 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 561 | LEU | 0 | 0.014 | 0.005 | 55.347 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 562 | ARG | 1 | 0.774 | 0.844 | 58.092 | 4.951 | 4.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 563 | THR | 0 | -0.045 | -0.025 | 59.721 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 564 | ALA | 0 | 0.000 | 0.001 | 55.302 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 565 | ILE | 0 | 0.016 | 0.035 | 57.121 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 566 | ALA | 0 | -0.003 | 0.000 | 58.994 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 567 | ASN | 0 | 0.000 | 0.001 | 56.491 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 568 | THR | 0 | -0.012 | -0.014 | 53.668 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 569 | LYS | 1 | 0.815 | 0.894 | 56.146 | 5.095 | 5.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 570 | ARG | 1 | 0.858 | 0.925 | 58.507 | 5.377 | 5.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 571 | LYS | 1 | 0.818 | 0.926 | 52.422 | 6.065 | 6.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 572 | TYR | 0 | 0.029 | 0.003 | 50.900 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 573 | GLY | 0 | 0.031 | 0.029 | 55.303 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 574 | ALA | 0 | -0.042 | -0.024 | 56.699 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 575 | ILE | 0 | 0.001 | -0.021 | 56.240 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 576 | ASP | -1 | -0.849 | -0.922 | 53.701 | -5.828 | -5.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 577 | ARG | 1 | 0.771 | 0.880 | 51.721 | 5.962 | 5.962 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 578 | PRO | 0 | 0.016 | 0.000 | 48.197 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 579 | PHE | 0 | 0.022 | 0.012 | 41.674 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 580 | GLY | 0 | 0.020 | 0.014 | 44.206 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 581 | ASP | -1 | -0.927 | -0.942 | 44.973 | -6.293 | -6.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 582 | ALA | 0 | 0.057 | 0.025 | 48.456 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 583 | SER | 0 | -0.025 | -0.012 | 44.019 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 584 | ARG | 1 | 0.814 | 0.904 | 44.167 | 6.832 | 6.832 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 585 | MET | 0 | 0.017 | 0.003 | 36.992 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 586 | ILE | 0 | -0.018 | -0.009 | 41.919 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 587 | LEU | 0 | -0.022 | 0.004 | 38.712 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 588 | ASN | 0 | -0.047 | -0.030 | 42.212 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 589 | ASP | -1 | -0.872 | -0.937 | 44.357 | -7.039 | -7.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 590 | VAL | 0 | -0.035 | -0.001 | 40.121 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 591 | ASN | 0 | 0.040 | 0.018 | 43.420 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 592 | VAL | 0 | 0.004 | 0.002 | 39.159 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 593 | PRO | 0 | -0.010 | -0.005 | 40.996 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 594 | GLY | 0 | 0.031 | 0.018 | 40.435 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 595 | ALA | 0 | -0.007 | -0.002 | 37.669 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 596 | ALA | 0 | -0.022 | -0.015 | 36.134 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 597 | GLY | 0 | 0.028 | 0.017 | 38.220 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 598 | TYR | 0 | 0.021 | 0.000 | 38.935 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 599 | GLY | 0 | 0.040 | 0.026 | 37.647 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 600 | ASN | 0 | -0.076 | -0.051 | 38.381 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 601 | LEU | 0 | -0.008 | -0.002 | 41.086 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 602 | GLY | 0 | -0.018 | -0.019 | 38.172 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 603 | SER | 0 | -0.054 | -0.025 | 36.465 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 604 | PHE | 0 | -0.001 | -0.003 | 27.790 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 605 | ARG | 1 | 0.977 | 1.003 | 31.927 | 9.396 | 9.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 606 | VAL | 0 | -0.032 | -0.019 | 33.038 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 607 | PHE | 0 | -0.002 | 0.000 | 34.929 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 608 | THR | 0 | -0.039 | -0.020 | 38.731 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 609 | TRP | 0 | -0.010 | -0.013 | 40.571 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 610 | SER | 0 | 0.009 | 0.004 | 44.244 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 611 | ASP | -1 | -0.904 | -0.961 | 47.381 | -6.168 | -6.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 612 | PRO | 0 | -0.079 | -0.025 | 50.626 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 613 | ASP | -1 | -0.793 | -0.897 | 52.187 | -5.888 | -5.888 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 614 | GLU | -1 | -0.939 | -0.978 | 54.575 | -5.402 | -5.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 615 | ASN | 0 | -0.067 | -0.024 | 55.224 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 616 | GLY | 0 | -0.008 | 0.000 | 54.078 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 617 | ILE | 0 | -0.060 | -0.031 | 49.076 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 618 | ARG | 1 | 0.800 | 0.888 | 45.350 | 6.879 | 6.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 619 | THR | 0 | 0.021 | 0.015 | 44.149 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 620 | PRO | 0 | -0.032 | -0.014 | 39.823 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 621 | VAL | 0 | -0.009 | 0.020 | 42.088 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 622 | HIS | 0 | 0.009 | -0.007 | 38.957 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 623 | GLY | 0 | 0.040 | 0.017 | 36.598 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 624 | GLU | -1 | -0.767 | -0.859 | 30.740 | -10.224 | -10.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 625 | THR | 0 | 0.004 | 0.013 | 31.976 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 626 | TRP | 0 | 0.011 | -0.009 | 23.093 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 627 | VAL | 0 | -0.043 | -0.028 | 26.302 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 628 | ALA | 0 | 0.025 | 0.013 | 21.817 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 629 | MET | 0 | -0.026 | 0.000 | 20.510 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 630 | ILE | 0 | -0.016 | -0.011 | 14.472 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 631 | GLU | -1 | -0.734 | -0.856 | 11.727 | -22.401 | -22.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 632 | PHE | 0 | -0.022 | -0.012 | 9.986 | -0.624 | -0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 633 | SER | 0 | -0.007 | -0.014 | 7.833 | -1.931 | -1.931 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 635 | PRO | 0 | 0.006 | -0.015 | 6.333 | -2.368 | -2.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 636 | VAL | 0 | -0.001 | 0.038 | 8.953 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 637 | ARG | 1 | 0.787 | 0.888 | 11.084 | 20.410 | 20.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 638 | ALA | 0 | 0.027 | 0.009 | 14.318 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 639 | TYR | 0 | 0.010 | 0.008 | 17.559 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 640 | GLY | 0 | 0.029 | -0.011 | 21.209 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 641 | LEU | 0 | -0.070 | -0.018 | 24.384 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 642 | MET | 0 | 0.012 | 0.023 | 28.123 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 643 | SER | 0 | -0.057 | -0.057 | 30.623 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 644 | TYR | 0 | -0.016 | 0.003 | 33.879 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 645 | GLY | 0 | 0.008 | 0.021 | 33.895 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 646 | ASN | 0 | -0.012 | -0.030 | 29.892 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 647 | SER | 0 | -0.050 | -0.045 | 33.234 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 648 | ARG | 1 | 0.860 | 0.919 | 36.703 | 8.183 | 8.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 649 | GLN | 0 | 0.023 | 0.036 | 40.228 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 650 | PRO | 0 | 0.018 | -0.014 | 42.280 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 651 | GLY | 0 | 0.008 | 0.009 | 45.122 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 652 | THR | 0 | -0.022 | 0.002 | 38.577 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 653 | THR | 0 | 0.030 | -0.001 | 37.641 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 654 | HIS | 1 | 0.778 | 0.892 | 34.646 | 9.000 | 9.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 655 | TYR | 0 | 0.044 | 0.024 | 36.211 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 656 | SER | 0 | 0.069 | 0.023 | 37.847 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 657 | ASP | -1 | -0.819 | -0.899 | 34.582 | -9.180 | -9.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 658 | GLN | 0 | 0.065 | 0.033 | 30.319 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 659 | ILE | 0 | 0.052 | 0.025 | 33.914 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 660 | GLU | -1 | -0.802 | -0.865 | 35.874 | -8.793 | -8.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 661 | ARG | 1 | 0.877 | 0.920 | 27.756 | 10.723 | 10.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 662 | VAL | 0 | 0.042 | 0.027 | 32.123 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 663 | SER | 0 | -0.092 | -0.051 | 33.528 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 664 | ARG | 1 | 0.727 | 0.808 | 32.722 | 9.311 | 9.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 665 | ALA | 0 | -0.023 | 0.002 | 30.182 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 666 | ASP | -1 | -0.820 | -0.869 | 29.159 | -10.909 | -10.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 667 | PHE | 0 | 0.020 | -0.003 | 24.715 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 668 | ARG | 1 | 0.757 | 0.856 | 25.144 | 11.433 | 11.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 669 | GLU | -1 | -0.877 | -0.936 | 17.744 | -17.212 | -17.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 670 | LEU | 0 | -0.073 | -0.030 | 19.488 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 671 | LEU | 0 | -0.034 | -0.013 | 18.693 | -0.935 | -0.935 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 672 | LEU | 0 | 0.024 | 0.014 | 15.447 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 673 | ARG | 1 | 0.961 | 0.984 | 12.203 | 20.853 | 20.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 674 | ARG | 1 | 0.757 | 0.859 | 16.132 | 13.997 | 13.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 675 | GLU | -1 | -0.928 | -0.970 | 16.681 | -17.089 | -17.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 676 | GLN | 0 | -0.047 | -0.037 | 16.967 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 677 | VAL | 0 | -0.007 | 0.003 | 20.417 | 0.731 | 0.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 678 | GLU | -1 | -0.846 | -0.921 | 22.297 | -12.028 | -12.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 679 | ALA | 0 | -0.048 | -0.017 | 23.541 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 680 | ALA | 0 | 0.006 | 0.008 | 24.896 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 681 | VAL | 0 | -0.063 | -0.021 | 26.506 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 682 | GLN | 0 | -0.085 | -0.048 | 28.550 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 683 | GLU | -1 | -0.808 | -0.859 | 31.842 | -8.402 | -8.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 684 | ARG | 1 | 0.882 | 0.943 | 27.031 | 10.560 | 10.560 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 685 | THR | 0 | 0.004 | 0.008 | 32.068 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 686 | PRO | 0 | 0.004 | 0.002 | 32.478 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 687 | PHE | 0 | -0.026 | -0.016 | 29.575 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 688 | ASN | 0 | -0.069 | -0.052 | 33.794 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 689 | PHE | -1 | -0.868 | -0.920 | 33.537 | -8.559 | -8.559 | 0.000 | 0.000 | 0.000 | 0.000 |