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: GR9N1
Calculation Name: 6VHY-B-Xray547
Preferred Name:
Target Type:
Ligand Name: 5'-deoxy-5'-({[(2r)-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
Ligand 3-letter code: QXD
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 6VHY
Chain ID: B
UniProt ID: A0A2U4
Base Structure: X-ray
Registration Date: 2025-10-04
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 | 536 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -10275943.640471 |
|---|---|
| FMO2-HF: Nuclear repulsion | 10069221.97583 |
| FMO2-HF: Total energy | -206721.664641 |
| FMO2-MP2: Total energy | -207319.669393 |
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:4:SER)
Summations of interaction energy for
fragment #1(A:4:SER)
| 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. |
| -172.143 | -167.079 | 5.184 | -3.826 | -6.422 | -0.042 |
Interaction energy analysis for fragmet #1(A:4:SER)
| 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 | 6 | TYR | 0 | 0.082 | 0.038 | 2.527 | -9.857 | -5.778 | 4.792 | -3.448 | -5.422 | -0.038 |
| 4 | A | 7 | VAL | 0 | -0.041 | -0.014 | 2.504 | 3.951 | 4.758 | 0.393 | -0.356 | -0.844 | -0.004 |
| 5 | A | 8 | TYR | 0 | -0.044 | -0.019 | 4.412 | 4.544 | 4.722 | -0.001 | -0.022 | -0.156 | 0.000 |
| 6 | A | 9 | GLN | 0 | 0.020 | 0.018 | 7.876 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 10 | LEU | 0 | -0.029 | -0.007 | 11.475 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 11 | LYS | 1 | 0.885 | 0.940 | 14.179 | 17.955 | 17.955 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 12 | ALA | 0 | 0.034 | 0.025 | 17.392 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 13 | VAL | 0 | 0.041 | 0.006 | 20.695 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 14 | PRO | 0 | -0.028 | -0.012 | 22.891 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 15 | ASP | -1 | -0.829 | -0.914 | 20.853 | -14.573 | -14.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 16 | ILE | 0 | -0.046 | -0.025 | 17.640 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 17 | PHE | 0 | 0.078 | 0.034 | 21.393 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 18 | ASP | -1 | -0.789 | -0.865 | 25.026 | -11.310 | -11.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 19 | GLU | -1 | -0.845 | -0.888 | 19.886 | -15.400 | -15.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 20 | ILE | 0 | -0.038 | -0.011 | 21.051 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 21 | SER | 0 | -0.039 | -0.041 | 24.244 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 22 | GLN | 0 | -0.055 | -0.042 | 26.459 | 0.634 | 0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 23 | ARG | 1 | 0.776 | 0.886 | 21.001 | 14.682 | 14.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 24 | PHE | 0 | -0.001 | -0.012 | 22.830 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 25 | PRO | 0 | 0.037 | 0.038 | 28.271 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 26 | ASP | -1 | -0.851 | -0.924 | 31.571 | -8.897 | -8.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 27 | ARG | 1 | 0.860 | 0.947 | 27.998 | 11.100 | 11.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 28 | VAL | 0 | -0.018 | -0.022 | 32.092 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 29 | ALA | 0 | 0.019 | 0.012 | 30.939 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 30 | LEU | 0 | -0.008 | -0.005 | 31.920 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 31 | ILE | 0 | -0.003 | -0.012 | 34.726 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 32 | PHE | 0 | 0.008 | 0.004 | 37.754 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 33 | ASP | -1 | -0.832 | -0.902 | 40.649 | -6.790 | -6.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 34 | GLN | 0 | -0.051 | -0.044 | 42.479 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 35 | ARG | 1 | 0.826 | 0.910 | 41.588 | 7.669 | 7.669 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 36 | LYS | 1 | 0.990 | 0.996 | 37.663 | 8.136 | 8.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 37 | ILE | 0 | -0.027 | -0.007 | 36.401 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 38 | THR | 0 | 0.014 | 0.011 | 34.435 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 39 | TYR | 0 | -0.006 | -0.019 | 27.496 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 40 | ARG | 1 | 0.835 | 0.893 | 31.882 | 8.965 | 8.965 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 41 | GLU | -1 | -0.918 | -0.951 | 34.150 | -8.114 | -8.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 42 | LEU | 0 | 0.020 | 0.010 | 31.343 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 43 | ALA | 0 | 0.036 | 0.022 | 31.194 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 44 | GLU | -1 | -0.883 | -0.924 | 32.830 | -8.739 | -8.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 45 | GLN | 0 | -0.017 | -0.012 | 36.393 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 46 | CYS | 0 | -0.030 | -0.015 | 32.574 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 47 | SER | 0 | -0.020 | -0.011 | 33.146 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 48 | ALA | 0 | 0.012 | 0.019 | 34.770 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 49 | LEU | 0 | 0.027 | -0.003 | 36.861 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 50 | ALA | 0 | 0.003 | 0.002 | 33.789 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 51 | ALA | 0 | -0.021 | -0.011 | 35.769 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 52 | VAL | 0 | -0.022 | -0.008 | 38.286 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 53 | LEU | 0 | 0.001 | -0.003 | 36.266 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 54 | GLN | 0 | -0.009 | -0.016 | 34.624 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 55 | ASN | 0 | -0.039 | -0.010 | 38.996 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 56 | ASN | 0 | -0.088 | -0.049 | 41.971 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 57 | CYS | 0 | -0.055 | -0.026 | 41.031 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 58 | LEU | 0 | 0.007 | 0.029 | 36.743 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 59 | ILE | 0 | -0.043 | -0.030 | 34.965 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 60 | LYS | 1 | 0.869 | 0.921 | 25.628 | 12.053 | 12.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 61 | GLY | 0 | -0.047 | -0.025 | 30.513 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 62 | ASP | -1 | -0.824 | -0.899 | 31.314 | -8.624 | -8.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 63 | ILE | 0 | -0.021 | 0.004 | 32.342 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 64 | VAL | 0 | -0.015 | -0.014 | 34.431 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 65 | ALA | 0 | 0.026 | 0.013 | 35.132 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 66 | ILE | 0 | -0.032 | -0.021 | 34.439 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 67 | LYS | 1 | 0.881 | 0.964 | 37.899 | 7.164 | 7.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 68 | ILE | 0 | -0.053 | -0.020 | 38.904 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 69 | GLU | -1 | -0.853 | -0.934 | 39.858 | -7.599 | -7.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 70 | ARG | 1 | 0.804 | 0.900 | 36.849 | 8.228 | 8.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 71 | SER | 0 | 0.015 | 0.000 | 38.832 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 72 | PRO | 0 | -0.009 | -0.016 | 37.742 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 73 | GLU | -1 | -0.795 | -0.905 | 37.178 | -7.999 | -7.999 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 74 | LEU | 0 | -0.020 | 0.017 | 35.455 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 75 | TYR | 0 | 0.043 | -0.025 | 32.284 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 76 | ILE | 0 | 0.005 | 0.011 | 32.903 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 77 | PHE | 0 | 0.006 | -0.008 | 34.535 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 78 | MET | 0 | -0.034 | -0.013 | 30.004 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 79 | LEU | 0 | 0.023 | 0.003 | 27.726 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 80 | ALA | 0 | -0.007 | 0.001 | 30.472 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 81 | LEU | 0 | -0.011 | -0.015 | 32.421 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 82 | MET | 0 | -0.005 | 0.010 | 26.687 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 83 | LYS | 1 | 0.813 | 0.892 | 28.090 | 10.852 | 10.852 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 84 | ILE | 0 | -0.040 | -0.025 | 29.583 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 85 | GLY | 0 | -0.004 | -0.005 | 28.200 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 86 | ALA | 0 | -0.023 | 0.000 | 29.141 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 87 | VAL | 0 | -0.030 | -0.011 | 28.710 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 88 | MET | 0 | 0.019 | 0.020 | 30.051 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 89 | VAL | 0 | 0.010 | -0.004 | 31.380 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 90 | PRO | 0 | -0.011 | 0.007 | 31.499 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 91 | VAL | 0 | -0.014 | -0.017 | 34.713 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 92 | ASN | 0 | 0.038 | 0.028 | 37.935 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 93 | SER | 0 | 0.045 | 0.017 | 39.397 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 94 | ASN | 0 | -0.010 | -0.001 | 42.503 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 95 | SER | 0 | -0.047 | -0.029 | 41.558 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 96 | PRO | 0 | 0.025 | 0.032 | 44.050 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 97 | GLU | -1 | -0.829 | -0.925 | 45.963 | -6.441 | -6.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 98 | ARG | 1 | 0.838 | 0.903 | 46.834 | 6.205 | 6.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 99 | TYR | 0 | 0.054 | 0.025 | 38.860 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 100 | ILE | 0 | -0.016 | -0.007 | 42.121 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 101 | GLY | 0 | 0.030 | 0.018 | 42.398 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 102 | GLU | -1 | -0.884 | -0.937 | 42.309 | -7.407 | -7.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 103 | VAL | 0 | -0.014 | -0.005 | 37.174 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 104 | LEU | 0 | -0.007 | -0.010 | 38.154 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 105 | SER | 0 | -0.038 | -0.032 | 39.447 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 106 | ALA | 0 | -0.060 | -0.029 | 36.979 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 107 | ALA | 0 | -0.020 | -0.007 | 34.640 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 108 | GLY | 0 | -0.014 | 0.005 | 35.050 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 109 | ALA | 0 | -0.033 | -0.024 | 37.545 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 110 | ARG | 1 | 0.890 | 0.934 | 37.940 | 8.519 | 8.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 111 | TYR | 0 | -0.016 | -0.010 | 38.744 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 112 | LEU | 0 | 0.010 | 0.016 | 39.687 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 113 | ILE | 0 | -0.015 | -0.002 | 38.255 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 114 | SER | 0 | 0.015 | -0.012 | 41.178 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 115 | ASP | -1 | -0.838 | -0.914 | 43.684 | -7.309 | -7.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 116 | ASP | -1 | -0.810 | -0.877 | 45.734 | -6.269 | -6.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 117 | VAL | 0 | 0.003 | -0.008 | 48.117 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 118 | THR | 0 | -0.092 | -0.061 | 49.534 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 119 | SER | 0 | -0.025 | -0.009 | 47.876 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 120 | VAL | 0 | 0.001 | -0.007 | 45.294 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 121 | PRO | 0 | 0.003 | 0.026 | 45.918 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 122 | GLY | 0 | 0.022 | 0.011 | 47.556 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 123 | GLY | 0 | 0.007 | -0.020 | 46.774 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 124 | ALA | 0 | -0.062 | -0.020 | 43.720 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 125 | TRP | 0 | -0.015 | -0.003 | 42.240 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 126 | HIS | 0 | 0.007 | 0.005 | 43.972 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 127 | VAL | 0 | 0.013 | 0.005 | 44.093 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 128 | LEU | 0 | -0.027 | -0.014 | 41.992 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 129 | SER | 0 | 0.031 | 0.013 | 44.866 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 130 | SER | 0 | 0.073 | 0.010 | 42.494 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 131 | ARG | 1 | 0.879 | 0.928 | 43.913 | 6.750 | 6.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 132 | THR | 0 | 0.027 | 0.017 | 46.678 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 133 | LEU | 0 | 0.003 | 0.016 | 41.567 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 134 | ILE | 0 | 0.072 | 0.026 | 40.103 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 135 | GLN | 0 | -0.029 | -0.015 | 43.648 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 136 | ASN | 0 | -0.018 | -0.010 | 45.460 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 137 | CYS | 0 | -0.041 | 0.001 | 41.333 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 138 | THR | 0 | -0.025 | -0.019 | 43.213 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 139 | GLN | 0 | -0.071 | -0.038 | 44.702 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 140 | GLN | 0 | -0.062 | -0.033 | 39.039 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 141 | ARG | 1 | 0.839 | 0.924 | 39.783 | 8.035 | 8.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 142 | SER | 0 | 0.036 | 0.019 | 36.017 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 143 | GLY | 0 | 0.011 | -0.003 | 36.085 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 144 | ASN | 0 | -0.049 | -0.018 | 33.629 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 145 | TYR | 0 | 0.035 | 0.014 | 29.903 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 146 | PRO | 0 | -0.027 | 0.001 | 28.027 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 147 | VAL | 0 | 0.013 | 0.005 | 23.434 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 148 | LEU | 0 | -0.015 | -0.010 | 23.218 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 149 | SER | 0 | 0.005 | -0.002 | 18.573 | -1.052 | -1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 150 | ALA | 0 | 0.035 | 0.015 | 15.763 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 151 | ASP | -1 | -0.839 | -0.922 | 15.975 | -19.319 | -19.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 152 | ASP | -1 | -0.793 | -0.873 | 18.904 | -12.752 | -12.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 153 | PRO | 0 | -0.045 | -0.018 | 22.614 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 154 | ALA | 0 | -0.010 | -0.003 | 23.853 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 155 | LEU | 0 | 0.006 | -0.006 | 25.849 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 156 | ILE | 0 | -0.016 | -0.001 | 27.425 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 157 | LEU | 0 | 0.013 | 0.013 | 27.002 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 158 | MET | 0 | -0.016 | 0.001 | 30.511 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 159 | THR | 0 | -0.018 | -0.003 | 30.064 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 160 | SER | 0 | 0.043 | -0.002 | 33.277 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 161 | GLY | 0 | 0.012 | 0.002 | 35.857 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 162 | SER | 0 | 0.028 | 0.012 | 31.593 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 163 | THR | 0 | -0.041 | -0.038 | 33.754 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 164 | GLY | 0 | 0.016 | 0.040 | 35.935 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 165 | LYS | 1 | 0.875 | 0.941 | 38.878 | 7.781 | 7.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 166 | PRO | 0 | 0.011 | 0.012 | 37.369 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 167 | LYS | 1 | 0.851 | 0.896 | 33.214 | 9.230 | 9.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 168 | SER | 0 | 0.063 | 0.019 | 31.291 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 169 | VAL | 0 | -0.008 | 0.000 | 25.965 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 170 | LEU | 0 | -0.001 | 0.005 | 25.579 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 171 | ILE | 0 | -0.001 | 0.001 | 22.463 | -0.605 | -0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 172 | ALA | 0 | 0.055 | 0.028 | 19.587 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 173 | HIS | 0 | 0.067 | 0.024 | 20.493 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 174 | ARG | 1 | 0.762 | 0.842 | 14.796 | 18.599 | 18.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 175 | GLY | 0 | -0.001 | 0.018 | 17.073 | -0.686 | -0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 176 | ILE | 0 | 0.030 | -0.003 | 19.035 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 177 | ALA | 0 | 0.021 | 0.005 | 17.944 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 178 | ARG | 1 | 0.780 | 0.885 | 14.944 | 16.991 | 16.991 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 179 | LEU | 0 | -0.033 | -0.013 | 16.275 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 180 | GLY | 0 | 0.051 | 0.026 | 18.419 | 0.659 | 0.659 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 181 | LEU | 0 | -0.098 | -0.044 | 11.891 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 182 | PRO | 0 | -0.013 | -0.005 | 14.923 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 183 | VAL | 0 | 0.032 | 0.010 | 14.969 | -1.662 | -1.662 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 184 | PRO | 0 | -0.034 | -0.030 | 13.253 | 0.925 | 0.925 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 185 | ALA | 0 | -0.003 | 0.005 | 16.374 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 186 | LEU | 0 | -0.018 | -0.006 | 19.555 | 0.739 | 0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 187 | GLY | 0 | -0.016 | -0.003 | 19.655 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 188 | ASN | 0 | 0.021 | 0.026 | 19.643 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 189 | SER | 0 | -0.086 | -0.064 | 20.370 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 190 | GLU | -1 | -0.784 | -0.888 | 22.549 | -12.922 | -12.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 191 | ARG | 1 | 0.813 | 0.882 | 22.867 | 13.404 | 13.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 192 | ASP | -1 | -0.767 | -0.825 | 25.066 | -11.910 | -11.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 193 | CYS | 0 | -0.074 | -0.032 | 27.903 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 194 | TYR | 0 | 0.063 | 0.028 | 23.751 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 195 | LEU | 0 | 0.032 | 0.017 | 30.335 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 196 | GLN | 0 | -0.028 | 0.008 | 32.069 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 197 | ILE | 0 | -0.038 | -0.036 | 33.392 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 198 | ALA | 0 | -0.026 | -0.009 | 32.104 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 199 | ASP | -1 | -0.797 | -0.904 | 34.166 | -8.642 | -8.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 200 | ILE | 0 | 0.021 | -0.002 | 32.820 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 201 | SER | 0 | -0.097 | -0.051 | 32.408 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 202 | PHE | 0 | 0.010 | 0.002 | 31.505 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 203 | ALA | 0 | 0.053 | 0.019 | 25.881 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 204 | ALA | 0 | -0.009 | 0.000 | 26.736 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 205 | SER | 0 | 0.007 | -0.003 | 28.384 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 206 | ALA | 0 | 0.002 | 0.001 | 24.517 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 207 | ASN | 0 | 0.035 | 0.004 | 24.206 | -0.816 | -0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 208 | GLU | -1 | -0.762 | -0.875 | 25.275 | -10.298 | -10.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 209 | ILE | 0 | 0.015 | 0.008 | 27.989 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 210 | TRP | 0 | 0.012 | -0.006 | 23.099 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 211 | MET | 0 | 0.002 | 0.012 | 20.516 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 212 | ALA | 0 | 0.014 | 0.039 | 23.277 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 213 | LEU | 0 | 0.019 | -0.005 | 25.445 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 214 | LEU | 0 | -0.048 | -0.026 | 20.979 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 215 | THR | 0 | -0.037 | -0.039 | 20.127 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 216 | GLY | 0 | 0.016 | 0.000 | 22.324 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 217 | ALA | 0 | -0.043 | 0.007 | 25.637 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 218 | CYS | 0 | -0.034 | -0.002 | 27.286 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 219 | LEU | 0 | -0.005 | 0.005 | 29.749 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 220 | THR | 0 | -0.043 | -0.047 | 31.861 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 221 | ILE | 0 | -0.031 | -0.015 | 34.106 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 222 | ALA | 0 | 0.045 | 0.044 | 36.996 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 223 | PRO | 0 | 0.025 | 0.017 | 39.247 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 224 | PRO | 0 | -0.012 | -0.003 | 41.840 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 225 | GLY | 0 | 0.021 | 0.029 | 42.986 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 226 | LEU | 0 | -0.028 | -0.021 | 41.934 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 227 | PRO | 0 | 0.029 | -0.001 | 39.720 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 228 | ASP | -1 | -0.827 | -0.907 | 42.236 | -7.130 | -7.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 229 | LEU | 0 | -0.001 | -0.011 | 41.232 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 230 | MET | 0 | 0.004 | 0.005 | 43.354 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 231 | ALA | 0 | -0.018 | -0.001 | 44.789 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 232 | LEU | 0 | 0.014 | 0.003 | 38.930 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 233 | ALA | 0 | 0.037 | 0.019 | 40.136 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 234 | ARG | 1 | 0.959 | 0.979 | 41.398 | 6.716 | 6.716 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 235 | GLN | 0 | -0.046 | -0.045 | 38.610 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 236 | ILE | 0 | 0.010 | -0.006 | 36.031 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 237 | GLU | -1 | -0.957 | -0.969 | 37.533 | -7.490 | -7.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 238 | SER | 0 | -0.093 | -0.058 | 39.846 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 239 | ASP | -1 | -0.850 | -0.892 | 37.023 | -8.161 | -8.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 240 | ASN | 0 | -0.097 | -0.043 | 35.547 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 241 | VAL | 0 | -0.007 | 0.004 | 32.191 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 242 | THR | 0 | 0.001 | -0.017 | 28.220 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 243 | MET | 0 | -0.013 | 0.001 | 24.840 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 244 | LEU | 0 | 0.030 | 0.007 | 28.764 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 245 | PHE | 0 | 0.001 | -0.006 | 24.032 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 246 | LEU | 0 | 0.012 | 0.001 | 30.069 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 247 | SER | 0 | 0.040 | 0.020 | 31.112 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 248 | GLY | 0 | 0.047 | 0.002 | 32.807 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 249 | GLY | 0 | 0.051 | 0.024 | 34.214 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 250 | LEU | 0 | -0.018 | -0.009 | 36.298 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 251 | PHE | 0 | 0.016 | -0.003 | 34.368 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 252 | ARG | 1 | 0.801 | 0.879 | 36.510 | 8.021 | 8.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 253 | LEU | 0 | 0.045 | 0.014 | 39.306 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 254 | PHE | 0 | -0.028 | -0.019 | 37.825 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 255 | VAL | 0 | -0.053 | -0.032 | 39.351 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 256 | GLU | -1 | -0.989 | -0.978 | 41.098 | -6.804 | -6.804 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 257 | VAL | 0 | 0.000 | -0.003 | 44.148 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 258 | SER | 0 | -0.018 | 0.000 | 44.033 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 259 | VAL | 0 | 0.028 | 0.012 | 40.071 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 260 | GLU | -1 | -0.889 | -0.945 | 40.187 | -7.292 | -7.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 261 | THR | 0 | -0.022 | -0.024 | 38.468 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 262 | LEU | 0 | -0.048 | -0.025 | 35.737 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 263 | HIS | 0 | 0.000 | 0.009 | 34.890 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 264 | ILE | 0 | 0.015 | 0.025 | 36.437 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 265 | PRO | 0 | -0.018 | 0.006 | 31.484 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 266 | ASP | -1 | -0.895 | -0.932 | 28.739 | -10.107 | -10.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 267 | CYS | 0 | -0.051 | -0.027 | 26.102 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 268 | VAL | 0 | 0.006 | 0.008 | 28.429 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 269 | VAL | 0 | -0.013 | -0.007 | 25.091 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 270 | VAL | 0 | 0.007 | 0.013 | 28.031 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 271 | SER | 0 | -0.032 | -0.023 | 26.723 | -0.482 | -0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 272 | GLY | 0 | -0.019 | -0.023 | 27.983 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 273 | ASP | -1 | -0.869 | -0.932 | 29.575 | -8.995 | -8.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 274 | PHE | 0 | -0.071 | -0.032 | 30.586 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 275 | VAL | 0 | 0.014 | 0.023 | 32.305 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 276 | ASN | 0 | 0.056 | 0.038 | 35.053 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 277 | PRO | 0 | 0.030 | -0.008 | 34.494 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 278 | ARG | 1 | 0.940 | 0.971 | 35.933 | 7.103 | 7.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 279 | LEU | 0 | 0.015 | 0.019 | 36.586 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 280 | PHE | 0 | 0.031 | 0.020 | 29.105 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 281 | SER | 0 | -0.026 | -0.014 | 34.950 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 282 | VAL | 0 | -0.001 | 0.002 | 37.011 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 283 | ALA | 0 | 0.049 | 0.030 | 35.690 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 284 | VAL | 0 | -0.017 | -0.019 | 32.733 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 285 | GLN | 0 | -0.099 | -0.062 | 35.311 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 286 | ALA | 0 | -0.039 | -0.006 | 38.383 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 287 | GLY | 0 | 0.006 | -0.001 | 38.014 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 288 | LYS | 1 | 0.742 | 0.862 | 33.033 | 9.327 | 9.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 289 | ALA | 0 | 0.017 | 0.029 | 31.807 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 290 | LYS | 1 | 0.880 | 0.948 | 26.878 | 11.364 | 11.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 291 | ILE | 0 | 0.015 | -0.003 | 29.432 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 292 | PHE | 0 | 0.005 | -0.010 | 22.941 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 293 | ASN | 0 | -0.024 | -0.024 | 26.440 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 294 | GLY | 0 | 0.043 | 0.012 | 23.731 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 295 | LEU | 0 | -0.013 | 0.006 | 20.832 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 296 | GLY | 0 | 0.041 | 0.011 | 22.573 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 297 | CYS | 0 | -0.058 | -0.006 | 22.618 | 0.609 | 0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 298 | THR | 0 | 0.042 | 0.019 | 23.727 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 299 | GLU | -1 | -0.753 | -0.843 | 23.485 | -11.840 | -11.840 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 300 | ASN | 0 | -0.037 | -0.003 | 16.915 | -0.793 | -0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 301 | SER | 0 | 0.036 | 0.003 | 20.241 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 302 | ALA | 0 | -0.018 | -0.002 | 21.177 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 303 | ILE | 0 | -0.019 | -0.007 | 20.793 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 304 | SER | 0 | -0.040 | -0.038 | 18.435 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 305 | SER | 0 | -0.031 | -0.054 | 17.425 | -1.087 | -1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 306 | LEU | 0 | -0.035 | -0.008 | 19.333 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 307 | TYR | -1 | -0.844 | -0.913 | 20.636 | -12.923 | -12.923 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 320 | PRO | 1 | 0.854 | 0.904 | 30.580 | 9.716 | 9.716 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 321 | VAL | 0 | 0.090 | 0.057 | 28.592 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 322 | PRO | 0 | 0.010 | 0.012 | 24.324 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 323 | VAL | 0 | 0.020 | 0.017 | 22.115 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 324 | GLY | 0 | 0.008 | 0.038 | 21.200 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 325 | THR | 0 | 0.011 | -0.008 | 15.718 | -0.656 | -0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 326 | PRO | 0 | 0.041 | 0.001 | 13.339 | 0.715 | 0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 327 | LEU | 0 | 0.005 | 0.020 | 14.900 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 328 | PRO | 0 | 0.001 | -0.011 | 11.609 | -1.708 | -1.708 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 329 | LEU | 0 | -0.061 | -0.035 | 8.219 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 330 | VAL | 0 | -0.023 | 0.006 | 10.539 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 331 | GLU | -1 | -0.864 | -0.932 | 10.632 | -26.312 | -26.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 332 | MET | 0 | -0.055 | -0.027 | 12.621 | 1.502 | 1.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 333 | VAL | 0 | -0.008 | 0.004 | 14.788 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 334 | VAL | 0 | 0.020 | 0.024 | 17.327 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 335 | PHE | 0 | 0.033 | 0.008 | 16.607 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 336 | ASN | 0 | 0.008 | -0.022 | 22.117 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 337 | GLU | -1 | -0.939 | -0.973 | 25.269 | -9.871 | -9.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 338 | ARG | 1 | 0.893 | 0.954 | 25.039 | 11.761 | 11.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 339 | LEU | 0 | 0.004 | 0.005 | 20.539 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 340 | GLN | 0 | -0.017 | -0.003 | 20.725 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 341 | PRO | 0 | -0.017 | -0.015 | 17.004 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 342 | CYS | 0 | -0.042 | 0.014 | 19.731 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 343 | THR | 0 | 0.023 | -0.001 | 21.181 | -0.813 | -0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 344 | CYS | 0 | -0.049 | -0.025 | 23.009 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 345 | GLY | 0 | 0.000 | 0.011 | 24.717 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 346 | GLU | -1 | -0.868 | -0.908 | 25.305 | -11.600 | -11.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 347 | TYR | 0 | -0.036 | -0.006 | 26.103 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 348 | GLY | 0 | 0.017 | -0.006 | 25.206 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 349 | GLU | -1 | -0.802 | -0.884 | 25.297 | -10.483 | -10.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 350 | LEU | 0 | -0.010 | -0.003 | 20.082 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 351 | PHE | 0 | 0.010 | 0.003 | 19.219 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 352 | ILE | 0 | -0.012 | -0.007 | 17.229 | -0.681 | -0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 353 | ALA | 0 | 0.045 | 0.025 | 13.532 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 354 | GLY | 0 | 0.015 | 0.005 | 11.565 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 355 | ALA | 0 | -0.007 | -0.021 | 12.111 | 1.437 | 1.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 356 | GLY | 0 | 0.025 | 0.016 | 13.730 | 1.109 | 1.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 357 | VAL | 0 | -0.046 | 0.007 | 16.276 | 1.198 | 1.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 358 | ALA | 0 | 0.020 | 0.011 | 18.378 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 359 | LEU | 0 | -0.044 | -0.029 | 20.033 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 360 | GLY | 0 | 0.001 | 0.018 | 22.247 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 361 | TYR | 0 | -0.047 | -0.071 | 24.953 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 362 | SER | 0 | -0.027 | -0.015 | 28.698 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 363 | ASP | -1 | -0.823 | -0.893 | 31.210 | -9.021 | -9.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 364 | PRO | 0 | 0.049 | 0.026 | 29.531 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 365 | GLN | 0 | -0.021 | 0.005 | 29.643 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 366 | LEU | 0 | 0.030 | 0.018 | 30.155 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 367 | THR | 0 | -0.081 | -0.052 | 25.730 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 368 | ALA | 0 | 0.013 | 0.001 | 25.928 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 369 | GLU | -1 | -0.888 | -0.949 | 27.034 | -9.942 | -9.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 370 | ARG | 1 | 0.798 | 0.907 | 25.986 | 11.021 | 11.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 371 | PHE | 0 | 0.003 | 0.000 | 21.012 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 372 | ILE | 0 | -0.002 | 0.007 | 21.148 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 373 | THR | 0 | -0.033 | -0.017 | 16.333 | -0.961 | -0.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 374 | ILE | 0 | -0.008 | -0.006 | 16.768 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 375 | PRO | 0 | 0.018 | 0.017 | 14.647 | -1.180 | -1.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 376 | TYR | 0 | 0.002 | -0.012 | 11.048 | 1.273 | 1.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 377 | GLN | 0 | -0.032 | -0.029 | 7.816 | -2.813 | -2.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 378 | GLY | 0 | -0.018 | -0.001 | 9.945 | 1.630 | 1.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 379 | THR | 0 | -0.052 | -0.028 | 8.276 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 380 | ASP | -1 | -0.903 | -0.934 | 11.114 | -17.036 | -17.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 381 | MET | 0 | -0.055 | -0.026 | 9.297 | -1.504 | -1.504 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 382 | LEU | 0 | 0.001 | 0.006 | 13.265 | 1.220 | 1.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 383 | PHE | 0 | -0.008 | -0.018 | 14.090 | -1.051 | -1.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 384 | TYR | -1 | -0.791 | -0.890 | 17.861 | -11.471 | -11.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 385 | ARG | 1 | 0.784 | 0.894 | 20.993 | 10.663 | 10.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 386 | THR | 0 | 0.039 | 0.009 | 22.893 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 387 | ASP | -1 | -0.762 | -0.875 | 25.276 | -9.800 | -9.800 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 388 | ASP | -1 | -0.839 | -0.929 | 26.263 | -10.626 | -10.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 389 | ARG | 1 | 0.919 | 0.975 | 26.813 | 9.579 | 9.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 390 | ALA | 0 | 0.042 | 0.024 | 24.175 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 391 | THR | 0 | -0.029 | -0.055 | 24.816 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 392 | TYR | 0 | -0.033 | 0.001 | 16.904 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 393 | ASP | -1 | -0.764 | -0.899 | 22.812 | -11.730 | -11.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 394 | GLN | 0 | -0.060 | -0.034 | 23.273 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 395 | ASP | -1 | -0.933 | -0.963 | 21.658 | -14.533 | -14.533 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 396 | ARG | 1 | 0.817 | 0.894 | 17.282 | 15.018 | 15.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 397 | ASN | 0 | -0.027 | -0.008 | 18.851 | -1.009 | -1.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 398 | ILE | 0 | 0.013 | 0.008 | 17.396 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 399 | VAL | 0 | -0.013 | -0.014 | 21.460 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 400 | LEU | 0 | 0.031 | 0.033 | 24.401 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 401 | VAL | 0 | -0.059 | -0.045 | 27.252 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 402 | GLY | 0 | 0.037 | 0.029 | 30.355 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 403 | ARG | 1 | 0.796 | 0.878 | 30.169 | 9.722 | 9.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 404 | GLY | 0 | 0.073 | 0.037 | 33.118 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 405 | ASN | 0 | -0.048 | -0.012 | 34.298 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 406 | HIS | 0 | -0.043 | -0.009 | 30.933 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 407 | ILE | 0 | -0.046 | -0.030 | 29.924 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 408 | CYS | -1 | -0.909 | -0.941 | 34.150 | -8.219 | -8.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 409 | LYS | 1 | 0.721 | 0.839 | 30.313 | 9.917 | 9.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 410 | ILE | 0 | 0.086 | 0.038 | 35.151 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 411 | ARG | 1 | 0.900 | 0.950 | 36.915 | 7.639 | 7.639 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 412 | GLY | 0 | -0.024 | -0.006 | 33.439 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 413 | PHE | 0 | -0.052 | -0.031 | 32.242 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 414 | ARG | 1 | 0.840 | 0.905 | 27.337 | 11.099 | 11.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 415 | ILE | 0 | 0.026 | 0.011 | 34.631 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 416 | ASN | 0 | 0.008 | -0.009 | 38.455 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 417 | ILE | 0 | 0.080 | 0.039 | 39.899 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 418 | ALA | 0 | 0.061 | 0.038 | 43.012 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 419 | GLY | 0 | -0.008 | -0.011 | 43.297 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 420 | ILE | 0 | -0.006 | -0.002 | 42.702 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 421 | GLU | -1 | -0.815 | -0.904 | 46.456 | -6.505 | -6.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 422 | HIS | 0 | -0.056 | -0.027 | 47.636 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 423 | LEU | 0 | -0.015 | -0.020 | 45.737 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 424 | LEU | 0 | 0.012 | 0.009 | 49.728 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 425 | ARG | 1 | 0.820 | 0.904 | 49.747 | 6.375 | 6.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 426 | LEU | 0 | -0.069 | -0.025 | 51.549 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 427 | HIS | 0 | -0.025 | -0.004 | 55.036 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 428 | HIS | 0 | -0.001 | -0.014 | 57.411 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 429 | ALA | 0 | -0.026 | -0.008 | 60.631 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 430 | VAL | 0 | -0.002 | 0.000 | 56.347 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 431 | GLU | -1 | -0.875 | -0.912 | 58.357 | -5.228 | -5.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 432 | ASP | -1 | -0.883 | -0.946 | 54.307 | -6.008 | -6.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 433 | VAL | 0 | -0.035 | -0.028 | 51.855 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 434 | LEU | 0 | -0.025 | 0.013 | 50.863 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 435 | ILE | 0 | -0.015 | -0.019 | 45.645 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 436 | VAL | 0 | -0.023 | -0.007 | 46.214 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 437 | VAL | 0 | 0.008 | 0.002 | 40.969 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 438 | GLU | 0 | -0.080 | -0.056 | 44.336 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 439 | GLU | -1 | -0.911 | -0.954 | 41.604 | -7.730 | -7.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 440 | THR | 0 | -0.008 | -0.022 | 43.902 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 441 | PRO | 0 | -0.082 | -0.040 | 43.707 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 442 | ASP | -1 | -0.913 | -0.942 | 42.262 | -7.317 | -7.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 443 | GLU | -1 | -0.822 | -0.916 | 38.939 | -8.510 | -8.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 444 | PRO | 0 | 0.014 | 0.026 | 38.650 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 445 | ARG | 0 | -0.031 | -0.032 | 41.909 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 446 | LEU | 0 | -0.018 | -0.012 | 42.799 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 447 | HIS | -1 | -0.783 | -0.877 | 45.164 | -6.138 | -6.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 448 | ALA | 0 | -0.002 | -0.013 | 48.745 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 449 | CYS | -1 | -0.832 | -0.899 | 50.997 | -6.003 | -6.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 450 | TYR | 0 | -0.062 | -0.027 | 54.143 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 451 | VAL | 0 | -0.059 | -0.023 | 56.518 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 452 | THR | 0 | -0.085 | -0.085 | 59.382 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 453 | GLN | 0 | 0.011 | 0.020 | 61.115 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 454 | ASP | -1 | -0.941 | -0.966 | 63.149 | -4.754 | -4.754 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 455 | ASP | -1 | -0.865 | -0.946 | 65.948 | -4.651 | -4.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 456 | GLY | 0 | -0.012 | -0.002 | 65.732 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 457 | LEU | 0 | -0.061 | -0.035 | 59.379 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 458 | SER | 0 | -0.009 | -0.025 | 60.480 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 459 | VAL | 0 | 0.062 | 0.015 | 54.894 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 460 | ALA | 0 | -0.030 | -0.018 | 55.534 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 461 | ASP | -1 | -0.826 | -0.888 | 56.024 | -5.426 | -5.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 462 | LEU | 0 | 0.041 | 0.021 | 54.254 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 463 | LYS | 1 | 0.817 | 0.909 | 49.904 | 6.216 | 6.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 464 | ASN | 0 | -0.045 | -0.022 | 51.551 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 465 | HIS | 0 | -0.002 | -0.015 | 52.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 466 | LEU | 0 | 0.014 | 0.007 | 47.868 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 467 | ALA | 0 | 0.000 | 0.008 | 48.491 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 468 | MET | 0 | -0.057 | -0.015 | 49.342 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 469 | HIS | 0 | -0.008 | -0.015 | 48.191 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 470 | ALA | 0 | -0.012 | -0.008 | 44.092 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 471 | PRO | 0 | -0.002 | -0.004 | 40.570 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 472 | ALA | 0 | 0.070 | 0.026 | 43.599 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 473 | TRP | 0 | -0.011 | -0.002 | 37.233 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 474 | MET | 0 | -0.037 | -0.014 | 39.291 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 475 | ILE | 0 | -0.025 | 0.001 | 42.437 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 476 | PRO | 0 | 0.023 | 0.019 | 45.585 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 477 | GLU | -1 | -0.958 | -0.972 | 46.244 | -6.805 | -6.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 478 | LYS | 0 | -0.056 | -0.013 | 48.258 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 479 | PHE | 0 | -0.031 | -0.047 | 50.324 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 480 | SER | -1 | -0.873 | -0.920 | 53.556 | -5.492 | -5.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 512 | VAL | 0 | 0.000 | -0.012 | 70.073 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 513 | GLU | 0 | 0.079 | 0.025 | 65.242 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 514 | GLN | 0 | 0.041 | 0.030 | 67.064 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 515 | GLN | 0 | 0.043 | 0.030 | 69.136 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 516 | LEU | 0 | 0.007 | 0.015 | 72.271 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 517 | LEU | 0 | 0.031 | 0.023 | 67.283 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 518 | SER | 0 | -0.039 | -0.028 | 71.469 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 519 | ILE | 0 | -0.032 | -0.029 | 72.960 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 520 | TRP | 0 | 0.037 | -0.001 | 72.080 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 521 | GLN | 0 | 0.026 | 0.017 | 69.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 522 | ALA | 0 | -0.009 | -0.005 | 74.602 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 523 | ILE | 0 | -0.161 | -0.076 | 77.711 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 524 | ILE | 0 | -0.008 | -0.015 | 74.002 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 525 | HIS | 0 | -0.067 | -0.007 | 77.483 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 526 | SER | 0 | 0.000 | -0.012 | 72.598 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 527 | GLU | -1 | -0.940 | -0.965 | 69.531 | -4.474 | -4.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 528 | ALA | 0 | -0.007 | -0.021 | 66.851 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 529 | ILE | 0 | -0.044 | -0.001 | 68.156 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 530 | ASN | 0 | -0.026 | -0.028 | 66.493 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 531 | PRO | 0 | -0.001 | 0.009 | 63.014 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 532 | GLN | 0 | 0.008 | 0.002 | 65.148 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 533 | GLU | -1 | -0.790 | -0.894 | 62.940 | -5.029 | -5.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 534 | ASN | 0 | -0.026 | 0.001 | 66.976 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 535 | LEU | 0 | -0.027 | 0.010 | 69.130 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 536 | LEU | 0 | -0.018 | -0.014 | 72.741 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 537 | ASP | -1 | -0.931 | -0.966 | 74.213 | -4.339 | -4.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 538 | GLN | 0 | 0.035 | 0.019 | 71.956 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 539 | GLY | 0 | -0.015 | -0.004 | 76.668 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 540 | GLY | 0 | -0.017 | -0.008 | 79.001 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 541 | ASN | 0 | 0.041 | 0.021 | 80.927 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 542 | SER | 0 | 0.049 | 0.007 | 84.332 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 543 | LEU | 0 | 0.000 | -0.006 | 86.298 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 544 | HIS | 0 | -0.007 | -0.003 | 80.839 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 545 | PHE | 0 | 0.052 | 0.030 | 79.300 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 546 | ILE | 0 | -0.030 | -0.016 | 83.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 547 | LYS | 1 | 0.927 | 0.973 | 82.994 | 3.910 | 3.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 548 | LEU | 0 | 0.083 | 0.043 | 77.528 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 549 | ALA | 0 | 0.027 | 0.019 | 81.521 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 550 | SER | 0 | -0.075 | -0.038 | 83.373 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 551 | MET | 0 | -0.028 | -0.021 | 80.363 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 552 | VAL | 0 | 0.047 | 0.041 | 78.121 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 553 | SER | 0 | 0.002 | -0.006 | 80.465 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 554 | LYS | 1 | 0.884 | 0.946 | 83.324 | 3.774 | 3.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 555 | THR | 0 | -0.070 | -0.043 | 78.287 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 556 | PHE | 0 | 0.026 | 0.023 | 74.096 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 557 | ASN | 0 | -0.037 | -0.012 | 79.817 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 558 | LEU | 0 | 0.007 | -0.007 | 79.026 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 559 | ALA | 0 | -0.037 | -0.010 | 82.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 560 | VAL | 0 | 0.044 | 0.028 | 80.453 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 561 | SER | 0 | -0.011 | -0.011 | 83.711 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 562 | PRO | 0 | -0.009 | -0.027 | 83.774 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 563 | ALA | 0 | 0.017 | 0.010 | 83.455 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 564 | ASP | -1 | -0.789 | -0.873 | 81.124 | -3.921 | -3.921 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 565 | ILE | 0 | -0.024 | -0.010 | 78.663 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 566 | PHE | 0 | -0.048 | -0.035 | 78.710 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 567 | THR | 0 | -0.063 | -0.042 | 79.502 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 568 | ALA | 0 | 0.012 | 0.027 | 75.388 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 569 | GLY | 0 | 0.014 | 0.009 | 74.757 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 570 | THR | 0 | -0.021 | -0.035 | 70.534 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 571 | ILE | 0 | -0.007 | -0.016 | 70.573 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 572 | ALA | 0 | 0.007 | 0.024 | 67.367 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 573 | ALA | 0 | 0.102 | 0.053 | 69.198 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 574 | LEU | 0 | -0.055 | -0.012 | 71.799 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 575 | ALA | 0 | -0.009 | -0.018 | 69.786 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 576 | GLN | 0 | 0.024 | 0.009 | 66.957 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 577 | THR | 0 | -0.020 | -0.030 | 71.222 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 578 | ILE | 0 | -0.070 | -0.034 | 74.099 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 579 | ARG | 1 | 0.931 | 0.966 | 65.750 | 4.819 | 4.819 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 580 | GLN | 0 | -0.016 | -0.004 | 73.365 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 581 | ARG | 1 | 0.799 | 0.898 | 74.469 | 3.985 | 3.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 582 | GLN | -1 | -0.956 | -0.962 | 74.289 | -4.162 | -4.162 | 0.000 | 0.000 | 0.000 | 0.000 |