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: 7K7QK
Calculation Name: 4L2H-A-Xray547
Preferred Name: Poly(ADP-ribose) glycohydrolase
Target Type: SINGLE PROTEIN
Ligand Name: [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl[hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Ligand 3-letter code: AR6
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4L2H
Chain ID: A
ChEMBL ID: CHEMBL4105712
UniProt ID: I6L8L7
Base Structure: X-ray
Registration Date: 2025-10-05
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 | 436 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -8726908.168055 |
|---|---|
| FMO2-HF: Nuclear repulsion | 8546260.343887 |
| FMO2-HF: Total energy | -180647.824168 |
| FMO2-MP2: Total energy | -181171.200701 |
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:14:ASP)
Summations of interaction energy for
fragment #1(A:14:ASP)
| 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. |
| -66.526 | -60.248 | 20.152 | -12.329 | -14.1 | 0.089 |
Interaction energy analysis for fragmet #1(A:14:ASP)
| 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 | 16 | GLN | 0 | -0.013 | -0.027 | 3.090 | 2.480 | 5.032 | 0.171 | -1.161 | -1.562 | -0.003 |
| 94 | A | 107 | LYS | 1 | 0.885 | 0.959 | 2.433 | -34.764 | -31.845 | 2.091 | -2.191 | -2.819 | 0.025 |
| 95 | A | 108 | ASN | 0 | -0.029 | -0.016 | 3.103 | 1.668 | 2.373 | 0.023 | -0.176 | -0.552 | -0.001 |
| 96 | A | 109 | GLN | 0 | -0.068 | -0.035 | 1.773 | -32.782 | -32.963 | 17.811 | -8.994 | -8.636 | 0.067 |
| 97 | A | 110 | ILE | 0 | 0.048 | 0.033 | 3.587 | -4.145 | -3.976 | 0.057 | 0.195 | -0.420 | 0.001 |
| 98 | A | 111 | PRO | 0 | -0.050 | -0.004 | 5.458 | 3.117 | 3.231 | -0.001 | -0.002 | -0.111 | 0.000 |
| 4 | A | 17 | PHE | 0 | 0.054 | 0.047 | 5.785 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 18 | PRO | 0 | -0.005 | 0.000 | 8.887 | 0.692 | 0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 19 | LEU | 0 | 0.000 | 0.003 | 11.786 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 20 | PRO | 0 | 0.042 | 0.011 | 14.256 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 21 | GLN | 0 | -0.022 | -0.012 | 16.310 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 22 | LYS | 1 | 0.870 | 0.943 | 9.919 | 3.323 | 3.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 23 | ASN | 0 | 0.016 | 0.020 | 15.233 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 24 | SER | 0 | -0.018 | -0.027 | 18.389 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 25 | GLU | -1 | -0.806 | -0.900 | 20.449 | -0.964 | -0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 26 | LEU | 0 | 0.006 | 0.010 | 21.490 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 27 | TRP | 0 | -0.002 | -0.004 | 20.511 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 28 | ILE | 0 | 0.000 | 0.006 | 22.633 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 29 | ILE | 0 | 0.027 | 0.015 | 26.033 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 30 | GLN | 0 | -0.005 | -0.011 | 21.267 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 31 | LYS | 1 | 0.970 | 0.990 | 24.461 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 32 | LYS | 1 | 0.832 | 0.907 | 26.085 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 33 | THR | 0 | 0.002 | -0.010 | 28.599 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 34 | LEU | 0 | -0.009 | -0.010 | 23.903 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 35 | GLN | 0 | -0.001 | -0.005 | 28.553 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 36 | ASP | -1 | -0.807 | -0.890 | 30.636 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 37 | LEU | 0 | 0.033 | 0.026 | 30.708 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 38 | SER | 0 | -0.052 | -0.024 | 30.307 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 39 | SER | 0 | -0.075 | -0.060 | 32.458 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 40 | GLY | 0 | -0.025 | -0.016 | 35.384 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 41 | LYS | 1 | 0.927 | 0.980 | 37.072 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 42 | GLN | 0 | -0.009 | -0.008 | 35.130 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 43 | LYS | 1 | 0.884 | 0.957 | 36.659 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 44 | LEU | 0 | -0.040 | -0.020 | 34.099 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 45 | ASP | -1 | -0.793 | -0.881 | 38.827 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 46 | SER | 0 | -0.004 | -0.008 | 40.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 47 | PHE | 0 | 0.029 | 0.021 | 34.247 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 48 | GLN | 0 | 0.060 | 0.020 | 36.948 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 49 | SER | 0 | -0.007 | 0.004 | 37.410 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 50 | LEU | 0 | 0.017 | 0.007 | 31.395 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 51 | GLU | -1 | -0.871 | -0.963 | 32.769 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 52 | SER | 0 | -0.034 | -0.028 | 32.729 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 53 | ILE | 0 | -0.001 | 0.000 | 30.194 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 54 | LEU | 0 | 0.005 | 0.008 | 27.614 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 55 | GLU | -1 | -0.773 | -0.831 | 28.011 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 56 | ILE | 0 | 0.011 | 0.008 | 28.907 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 57 | LEU | 0 | -0.006 | -0.002 | 25.236 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 58 | ARG | 1 | 0.887 | 0.950 | 23.927 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 59 | ASP | -1 | -0.892 | -0.936 | 24.279 | -0.906 | -0.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 60 | SER | 0 | -0.087 | -0.062 | 26.279 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 61 | LYS | 1 | 0.803 | 0.883 | 26.909 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 62 | ASN | 0 | 0.023 | 0.013 | 31.253 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 63 | GLN | 0 | 0.016 | 0.020 | 33.160 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 64 | ASN | 0 | 0.034 | -0.001 | 34.419 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 65 | ASP | -1 | -0.840 | -0.909 | 34.624 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 66 | GLU | -1 | -0.837 | -0.914 | 35.802 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 67 | LYS | 1 | 0.740 | 0.858 | 30.105 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 68 | TYR | 0 | -0.019 | -0.040 | 29.163 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 69 | PHE | 0 | 0.026 | 0.030 | 33.021 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 70 | ASN | 0 | -0.001 | -0.013 | 32.318 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 71 | LEU | 0 | 0.003 | 0.000 | 30.329 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 72 | LYS | 1 | 0.853 | 0.919 | 33.189 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 73 | ALA | 0 | 0.018 | 0.003 | 36.786 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 74 | VAL | 0 | -0.033 | -0.003 | 33.938 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 75 | PHE | 0 | 0.028 | 0.019 | 36.687 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 76 | GLU | -1 | -0.852 | -0.925 | 38.172 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 77 | GLN | 0 | -0.071 | -0.034 | 38.788 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 78 | LEU | 0 | -0.067 | -0.008 | 37.371 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 79 | ASP | -1 | -0.831 | -0.902 | 41.774 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 80 | LYS | 1 | 0.957 | 0.963 | 43.541 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 81 | GLU | -1 | -0.853 | -0.914 | 44.489 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 82 | GLU | -1 | -0.777 | -0.870 | 37.566 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 83 | GLN | 0 | -0.051 | -0.037 | 39.508 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 84 | THR | 0 | 0.025 | 0.001 | 39.947 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 85 | TYR | 0 | 0.012 | 0.012 | 34.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 86 | PHE | 0 | -0.039 | -0.026 | 32.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 87 | LEU | 0 | 0.007 | 0.000 | 35.220 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 88 | GLU | -1 | -0.912 | -0.964 | 36.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 89 | GLN | 0 | -0.036 | -0.033 | 36.412 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 90 | PHE | 0 | -0.006 | -0.001 | 29.282 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 91 | ILE | 0 | 0.031 | 0.020 | 30.595 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 92 | PRO | 0 | -0.008 | 0.004 | 30.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 93 | LYS | 1 | 1.004 | 1.006 | 30.560 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 94 | ILE | 0 | 0.036 | 0.020 | 26.321 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 95 | CYS | 0 | -0.064 | -0.035 | 25.696 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 96 | GLN | 0 | -0.037 | -0.024 | 26.205 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 97 | LEU | 0 | -0.022 | -0.006 | 23.912 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 98 | VAL | 0 | 0.010 | -0.006 | 20.876 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 99 | LEU | 0 | -0.067 | -0.028 | 21.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 100 | LYS | 1 | 0.848 | 0.948 | 22.902 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 101 | ILE | 0 | -0.054 | -0.010 | 16.510 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 102 | LYS | 1 | 0.951 | 0.962 | 17.947 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 103 | LYS | 1 | 0.836 | 0.924 | 12.357 | -2.078 | -2.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 104 | LYS | 1 | 0.982 | 0.972 | 12.498 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 105 | GLN | 0 | 0.028 | 0.019 | 7.168 | -1.132 | -1.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 106 | LEU | 0 | -0.002 | 0.012 | 8.171 | 0.885 | 0.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 112 | LYS | 1 | 0.945 | 0.957 | 6.663 | -4.985 | -4.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 113 | GLU | -1 | -0.821 | -0.920 | 9.590 | 1.268 | 1.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 114 | SER | 0 | -0.014 | -0.006 | 13.381 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 115 | LYS | 1 | 0.858 | 0.943 | 10.492 | -3.277 | -3.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 116 | ILE | 0 | 0.063 | 0.024 | 11.499 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 117 | TYR | 0 | -0.062 | -0.032 | 6.152 | 3.266 | 3.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 118 | GLU | -1 | -0.872 | -0.938 | 8.489 | 2.056 | 2.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 119 | ALA | 0 | -0.025 | -0.009 | 9.177 | 1.056 | 1.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 120 | ALA | 0 | 0.007 | 0.004 | 10.855 | -0.723 | -0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 121 | PHE | 0 | -0.018 | -0.015 | 11.253 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 122 | SER | 0 | 0.024 | 0.016 | 16.399 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 123 | ARG | 1 | 0.823 | 0.890 | 19.721 | -0.899 | -0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 124 | GLU | -1 | -0.809 | -0.905 | 22.205 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 125 | GLU | -1 | -0.828 | -0.886 | 16.806 | 1.570 | 1.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 126 | ILE | 0 | -0.030 | -0.009 | 16.792 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 127 | SER | 0 | 0.006 | -0.007 | 19.116 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 128 | TYR | 0 | 0.062 | 0.027 | 19.103 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 129 | TYR | 0 | 0.045 | 0.018 | 14.534 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 130 | VAL | 0 | 0.038 | 0.017 | 18.157 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 131 | SER | 0 | 0.017 | 0.000 | 20.947 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 132 | CYS | 0 | -0.086 | -0.044 | 18.574 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 133 | MET | 0 | -0.083 | -0.033 | 16.841 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 134 | PHE | 0 | 0.056 | 0.019 | 21.071 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 135 | LEU | 0 | 0.019 | 0.011 | 23.832 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 136 | CYS | 0 | -0.096 | -0.020 | 22.501 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 137 | ILE | 0 | 0.019 | 0.001 | 19.740 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 138 | LEU | 0 | -0.030 | -0.010 | 15.245 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 139 | LYS | 1 | 0.906 | 0.933 | 16.365 | 1.121 | 1.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 140 | ASP | -1 | -0.773 | -0.845 | 11.640 | -3.950 | -3.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 141 | GLN | 0 | 0.045 | 0.013 | 14.671 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 142 | ASP | -1 | -0.917 | -0.951 | 14.024 | -2.776 | -2.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 143 | ARG | 1 | 0.835 | 0.896 | 7.342 | 6.438 | 6.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 144 | LYS | 1 | 0.897 | 0.964 | 14.901 | 2.071 | 2.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 145 | ILE | 0 | 0.018 | 0.026 | 13.929 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 146 | TYR | 0 | -0.008 | -0.010 | 15.830 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 147 | LYS | 1 | 0.937 | 0.960 | 12.941 | 1.189 | 1.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 148 | ASP | -1 | -0.726 | -0.829 | 16.760 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 149 | PHE | 0 | 0.048 | 0.012 | 20.125 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 150 | ARG | 1 | 0.825 | 0.884 | 20.932 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 151 | LEU | 0 | -0.043 | -0.011 | 24.507 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 152 | ILE | 0 | -0.021 | -0.004 | 24.347 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 153 | TYR | 0 | 0.009 | -0.041 | 27.237 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 154 | LEU | 0 | -0.006 | 0.022 | 29.173 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 155 | LYS | 1 | 0.856 | 0.940 | 30.985 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 156 | ASP | -1 | -0.840 | -0.920 | 32.474 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 157 | LEU | 0 | 0.036 | 0.019 | 34.565 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 158 | VAL | 0 | -0.011 | -0.002 | 35.985 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 159 | GLN | 0 | 0.070 | 0.026 | 36.930 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 160 | GLN | 0 | 0.036 | 0.007 | 36.948 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 161 | ILE | 0 | -0.029 | -0.011 | 31.738 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 162 | ASN | 0 | 0.058 | 0.039 | 33.260 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 163 | ILE | 0 | 0.018 | 0.024 | 34.743 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 164 | ARG | 1 | 0.837 | 0.897 | 31.216 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 165 | ARG | 1 | 0.770 | 0.871 | 29.393 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 166 | GLN | 0 | 0.011 | -0.010 | 30.902 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 167 | GLU | -1 | -0.777 | -0.877 | 33.235 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 168 | LYS | 1 | 0.801 | 0.893 | 25.661 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 169 | ILE | 0 | -0.021 | 0.003 | 28.954 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 170 | LYS | 1 | 0.825 | 0.895 | 30.151 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 171 | CYS | 0 | -0.068 | -0.017 | 29.293 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 172 | PHE | 0 | 0.005 | -0.021 | 24.223 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 173 | TYR | 0 | -0.027 | -0.031 | 27.592 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 174 | GLU | -1 | -0.769 | -0.860 | 30.341 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 175 | TYR | 0 | -0.019 | -0.018 | 23.225 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 176 | LEU | 0 | -0.007 | -0.010 | 24.428 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 177 | LYS | 1 | 0.824 | 0.911 | 28.165 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 178 | GLN | 0 | -0.032 | -0.022 | 30.002 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 179 | ALA | 0 | -0.022 | -0.020 | 26.060 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 180 | LEU | 0 | -0.085 | -0.041 | 28.139 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 181 | ASP | -1 | -0.917 | -0.937 | 30.318 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 182 | PHE | 0 | -0.073 | -0.027 | 24.881 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 183 | SER | 0 | 0.024 | 0.015 | 30.605 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 184 | GLU | -1 | -0.819 | -0.920 | 28.837 | 0.701 | 0.701 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 185 | LYS | 1 | 0.912 | 0.957 | 28.796 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 186 | GLU | -1 | -0.774 | -0.843 | 28.078 | 0.628 | 0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 187 | SER | 0 | -0.035 | -0.034 | 25.836 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 188 | LYS | 1 | 0.853 | 0.910 | 24.063 | -0.668 | -0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 189 | GLU | -1 | -0.827 | -0.886 | 23.972 | 0.872 | 0.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 190 | VAL | 0 | -0.019 | -0.014 | 18.575 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 191 | VAL | 0 | -0.032 | -0.007 | 17.853 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 192 | ILE | 0 | -0.013 | -0.012 | 14.882 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 193 | PHE | 0 | 0.010 | 0.011 | 12.611 | -0.334 | -0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 194 | GLN | 0 | -0.029 | -0.039 | 12.558 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 195 | ARG | 1 | 0.742 | 0.828 | 8.810 | -2.012 | -2.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 196 | ILE | 0 | 0.011 | -0.006 | 11.461 | 0.945 | 0.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 197 | ASN | 0 | 0.046 | 0.029 | 11.833 | -0.605 | -0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 198 | CYS | 0 | -0.057 | -0.030 | 13.787 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 199 | GLY | 0 | 0.016 | 0.009 | 16.461 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 200 | GLN | 0 | -0.009 | -0.012 | 18.034 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 201 | LEU | 0 | -0.017 | -0.002 | 20.289 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 202 | GLU | -1 | -0.837 | -0.880 | 22.516 | 0.628 | 0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 203 | ASP | -1 | -0.818 | -0.907 | 26.230 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 204 | TYR | 0 | 0.072 | 0.014 | 28.759 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 205 | GLU | -1 | -0.821 | -0.921 | 32.038 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 206 | ASN | 0 | -0.041 | -0.018 | 28.032 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 207 | TRP | 0 | -0.008 | -0.025 | 26.843 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 208 | VAL | 0 | 0.017 | 0.022 | 31.874 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 209 | ASP | -1 | -0.848 | -0.903 | 33.984 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 210 | LYS | 1 | 0.860 | 0.937 | 29.031 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 211 | LEU | 0 | -0.001 | -0.007 | 33.023 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 212 | LYS | 1 | 0.853 | 0.928 | 35.491 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 213 | ALA | 0 | -0.017 | -0.005 | 37.691 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 214 | ILE | 0 | -0.050 | -0.004 | 33.850 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 215 | LYS | 1 | 0.852 | 0.926 | 37.500 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 216 | LEU | 0 | 0.012 | 0.019 | 37.617 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 217 | LYS | 1 | 0.846 | 0.930 | 35.417 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 218 | ASN | 0 | -0.035 | -0.023 | 38.950 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 219 | VAL | 0 | 0.029 | 0.019 | 37.722 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 220 | GLN | 0 | -0.041 | -0.016 | 38.808 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 221 | LEU | 0 | 0.036 | 0.018 | 39.141 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 222 | THR | 0 | -0.059 | -0.034 | 38.555 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 223 | ASP | -1 | -0.730 | -0.826 | 40.107 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 224 | ASP | -1 | -0.889 | -0.946 | 41.647 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 225 | LYS | 1 | 0.806 | 0.925 | 38.272 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 226 | LEU | 0 | 0.016 | 0.003 | 34.007 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 227 | ILE | 0 | 0.008 | 0.006 | 28.990 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 228 | GLU | -1 | -0.846 | -0.924 | 30.411 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 229 | ASP | -1 | -0.864 | -0.910 | 31.713 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 230 | PHE | 0 | 0.023 | 0.001 | 33.712 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 231 | PRO | 0 | 0.006 | 0.019 | 31.796 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 232 | GLY | 0 | -0.012 | -0.008 | 30.909 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 233 | THR | 0 | -0.067 | -0.037 | 30.816 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 234 | LEU | 0 | 0.000 | -0.001 | 23.575 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 235 | GLN | 0 | 0.005 | 0.013 | 26.921 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 236 | VAL | 0 | 0.028 | 0.016 | 25.204 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 237 | ASP | 0 | -0.066 | -0.069 | 20.951 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 238 | PHE | 0 | -0.023 | -0.036 | 23.754 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 239 | ALA | 0 | -0.006 | 0.011 | 19.997 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 240 | ASN | 0 | 0.013 | 0.003 | 19.328 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 241 | CYS | 0 | 0.039 | 0.016 | 16.486 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 242 | ASP | -1 | -0.829 | -0.872 | 14.695 | -0.781 | -0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 243 | ILE | 0 | 0.022 | 0.001 | 13.672 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 244 | GLY | 0 | 0.038 | 0.008 | 16.468 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 245 | GLY | 0 | 0.026 | 0.016 | 18.909 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 246 | GLY | 0 | -0.037 | -0.020 | 20.511 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 247 | ILE | 0 | -0.016 | -0.007 | 20.036 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 248 | LEU | 0 | 0.010 | 0.013 | 18.110 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 249 | GLY | 0 | 0.048 | 0.019 | 22.366 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 250 | ASN | 0 | 0.053 | 0.040 | 25.379 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 251 | GLY | 0 | -0.023 | 0.016 | 26.367 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 252 | LEU | 0 | 0.004 | -0.007 | 27.237 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 253 | VAL | 0 | 0.045 | 0.027 | 27.680 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 254 | GLN | 0 | 0.043 | 0.014 | 27.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 255 | GLU | -1 | -0.719 | -0.811 | 20.674 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 256 | GLN | 0 | -0.048 | -0.035 | 22.986 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 257 | ILE | 0 | 0.018 | 0.018 | 25.357 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 258 | ARG | 1 | 0.907 | 0.937 | 25.141 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 259 | PHE | 0 | 0.042 | -0.001 | 18.165 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 260 | CYS | 0 | -0.082 | -0.035 | 23.946 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 261 | VAL | 0 | 0.006 | 0.009 | 27.044 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 262 | CYS | 0 | -0.054 | -0.013 | 24.518 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 263 | PRO | 0 | 0.035 | 0.015 | 23.246 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 264 | GLU | -1 | -0.760 | -0.856 | 20.906 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 265 | MET | 0 | 0.000 | -0.001 | 18.853 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 266 | LEU | 0 | -0.017 | 0.007 | 17.358 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 267 | VAL | 0 | 0.008 | 0.008 | 13.378 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 268 | SER | 0 | 0.014 | 0.000 | 12.745 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 269 | LEU | 0 | 0.002 | -0.008 | 11.828 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 270 | LEU | 0 | -0.055 | -0.022 | 11.066 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 271 | VAL | 0 | -0.042 | -0.010 | 7.409 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 272 | PHE | 0 | -0.038 | -0.036 | 7.055 | 0.764 | 0.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 273 | ASP | -1 | -0.898 | -0.948 | 7.775 | -4.229 | -4.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 274 | GLN | 0 | -0.015 | 0.012 | 7.236 | -1.048 | -1.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 275 | SER | 0 | 0.041 | -0.001 | 9.613 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 276 | MET | 0 | -0.108 | -0.038 | 11.781 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 277 | GLU | -1 | -0.840 | -0.929 | 11.942 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 278 | ALA | 0 | -0.010 | -0.011 | 14.664 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 279 | ASN | 0 | 0.000 | -0.012 | 15.745 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 280 | GLU | -1 | -0.775 | -0.853 | 10.863 | 2.461 | 2.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 281 | VAL | 0 | 0.009 | 0.009 | 15.553 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 282 | ILE | 0 | 0.014 | 0.002 | 12.993 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 283 | ILE | 0 | -0.017 | 0.004 | 16.098 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 284 | MET | 0 | -0.021 | 0.001 | 16.338 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 285 | LYS | 1 | 0.885 | 0.937 | 18.354 | -2.066 | -2.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 286 | GLY | 0 | 0.056 | 0.028 | 20.260 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 287 | ILE | 0 | -0.004 | 0.007 | 19.667 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 288 | LYS | 1 | 0.795 | 0.888 | 23.692 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 289 | GLN | 0 | -0.030 | -0.036 | 26.609 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 290 | TYR | 0 | -0.052 | -0.054 | 25.774 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 291 | SER | 0 | -0.003 | 0.008 | 30.516 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 292 | ASP | -1 | -0.866 | -0.942 | 32.275 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 293 | TYR | 0 | -0.093 | -0.076 | 32.888 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 294 | GLN | 0 | 0.039 | 0.032 | 35.751 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 295 | GLY | 0 | 0.029 | 0.021 | 37.340 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 296 | TYR | 0 | 0.084 | 0.013 | 32.041 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 297 | SER | 0 | 0.052 | 0.022 | 33.109 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 298 | ASN | 0 | 0.021 | 0.008 | 34.137 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 299 | SER | 0 | -0.029 | -0.007 | 36.959 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 300 | PHE | 0 | -0.026 | 0.004 | 31.618 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 301 | ARG | 1 | 0.860 | 0.910 | 35.850 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 302 | PHE | 0 | 0.038 | 0.000 | 33.338 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 303 | VAL | 0 | -0.013 | 0.003 | 35.458 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 304 | LYS | 1 | 0.854 | 0.920 | 36.087 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 305 | MET | 0 | -0.010 | 0.012 | 33.394 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 306 | GLY | 0 | 0.029 | 0.022 | 37.000 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 307 | ASN | 0 | 0.017 | -0.014 | 39.539 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 308 | SER | 0 | 0.010 | -0.011 | 41.551 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 309 | LYS | 1 | 0.980 | 0.980 | 40.731 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 310 | ILE | 0 | 0.069 | 0.030 | 38.048 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 311 | GLN | 0 | 0.055 | 0.059 | 36.984 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 312 | LYS | 1 | 0.952 | 0.979 | 35.909 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 313 | GLN | 0 | -0.015 | -0.009 | 35.401 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 314 | LYS | 1 | 0.879 | 0.940 | 32.589 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 315 | ARG | 1 | 0.830 | 0.888 | 30.416 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 316 | ASN | 0 | -0.057 | -0.039 | 31.015 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 317 | ASN | 0 | -0.006 | -0.012 | 30.989 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 318 | PRO | 0 | -0.017 | 0.014 | 25.906 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 319 | GLN | 0 | -0.014 | -0.017 | 26.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 320 | THR | 0 | -0.022 | -0.022 | 21.818 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 321 | ILE | 0 | -0.039 | -0.016 | 21.881 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 322 | LEU | 0 | -0.007 | 0.017 | 20.579 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 323 | ALA | 0 | -0.020 | -0.010 | 18.363 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 324 | ILE | 0 | 0.023 | 0.007 | 19.483 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 325 | ASP | -1 | -0.751 | -0.835 | 18.826 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 326 | ALA | 0 | -0.003 | 0.006 | 21.456 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 327 | LEU | 0 | -0.025 | -0.020 | 23.685 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 328 | CYS | 0 | -0.064 | -0.025 | 25.073 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 329 | PHE | 0 | 0.000 | 0.003 | 26.673 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 330 | ASN | 0 | 0.028 | 0.019 | 30.014 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 331 | SER | 0 | -0.005 | -0.024 | 32.644 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 332 | SER | 0 | -0.043 | -0.024 | 34.600 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 333 | ASP | -1 | -0.834 | -0.901 | 30.924 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 334 | ASN | 0 | 0.065 | 0.022 | 33.688 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 335 | GLN | 0 | -0.003 | -0.008 | 32.532 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 336 | PHE | 0 | 0.057 | 0.018 | 33.252 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 337 | SER | 0 | -0.025 | -0.004 | 32.538 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 338 | GLU | -1 | -0.858 | -0.938 | 32.590 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 339 | VAL | 0 | 0.002 | 0.022 | 27.404 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 340 | ASN | 0 | 0.001 | -0.009 | 28.082 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 341 | VAL | 0 | 0.026 | 0.008 | 28.713 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 342 | SER | 0 | -0.022 | -0.030 | 28.440 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 343 | ARG | 1 | 0.795 | 0.888 | 20.565 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 344 | GLU | -1 | -0.743 | -0.865 | 24.708 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 345 | LEU | 0 | -0.002 | 0.021 | 26.809 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 346 | ASN | 0 | -0.053 | -0.050 | 22.988 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 347 | LYS | 1 | 0.801 | 0.880 | 17.811 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 348 | SER | 0 | -0.023 | -0.029 | 22.793 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 349 | TYR | 0 | 0.006 | 0.000 | 25.206 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 350 | MET | 0 | -0.070 | -0.031 | 20.155 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 351 | GLY | 0 | 0.091 | 0.039 | 21.041 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 352 | PHE | 0 | -0.022 | -0.040 | 22.292 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 353 | LYS | 1 | 0.889 | 0.955 | 21.316 | -1.230 | -1.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 354 | GLN | 0 | -0.029 | 0.000 | 19.132 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 355 | GLU | -1 | -0.785 | -0.898 | 21.089 | 1.501 | 1.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 356 | ASP | -1 | -0.901 | -0.929 | 24.037 | 1.040 | 1.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 357 | GLN | 0 | 0.011 | -0.025 | 24.352 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 358 | LEU | 0 | -0.040 | -0.011 | 25.403 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 359 | LYS | 1 | 0.925 | 0.955 | 28.925 | -0.781 | -0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 360 | THR | 0 | -0.012 | -0.007 | 31.439 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 361 | ILE | 0 | 0.016 | 0.026 | 27.921 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 362 | SER | 0 | -0.041 | -0.009 | 29.965 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 363 | THR | 0 | 0.077 | 0.002 | 29.788 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 364 | GLY | 0 | 0.051 | 0.019 | 31.283 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 365 | LYS | 1 | 0.844 | 0.930 | 32.921 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 366 | TRP | 0 | -0.020 | -0.017 | 24.237 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 367 | GLY | 0 | 0.054 | 0.012 | 28.366 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 368 | CYS | 0 | -0.111 | -0.025 | 29.059 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 369 | GLY | 0 | 0.051 | 0.012 | 31.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 370 | ALA | 0 | -0.067 | -0.038 | 28.840 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 371 | PHE | 0 | -0.026 | -0.009 | 23.063 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 372 | LEU | 0 | 0.010 | 0.012 | 29.176 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 373 | GLY | 0 | 0.004 | 0.023 | 31.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 374 | VAL | 0 | 0.061 | 0.016 | 32.767 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 375 | PHE | 0 | 0.026 | -0.017 | 34.569 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 376 | ASP | -1 | -0.766 | -0.870 | 36.642 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 377 | LEU | 0 | 0.018 | 0.013 | 34.231 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 378 | LYS | 1 | 0.880 | 0.931 | 28.336 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 379 | PHE | 0 | 0.004 | 0.012 | 32.983 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 380 | ALA | 0 | 0.047 | 0.025 | 35.223 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 381 | ILE | 0 | 0.010 | 0.004 | 29.949 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 382 | GLN | 0 | 0.015 | 0.006 | 29.820 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 383 | TRP | 0 | 0.005 | 0.002 | 31.902 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 384 | ILE | 0 | 0.030 | 0.030 | 32.586 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 385 | ALA | 0 | 0.017 | 0.015 | 28.533 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 386 | SER | 0 | -0.027 | -0.037 | 30.118 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 387 | SER | 0 | -0.036 | -0.025 | 31.656 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 388 | ARG | 1 | 0.827 | 0.894 | 27.712 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 389 | SER | 0 | -0.085 | -0.045 | 28.330 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 390 | ASN | 0 | 0.007 | 0.001 | 29.886 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 391 | LYS | 1 | 0.783 | 0.913 | 26.681 | -0.949 | -0.949 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 392 | LYS | 1 | 0.913 | 0.954 | 33.116 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 393 | MET | 0 | -0.005 | 0.014 | 33.118 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 394 | ILE | 0 | 0.002 | 0.004 | 34.339 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 395 | ILE | 0 | -0.024 | -0.013 | 34.391 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 396 | CYS | 0 | -0.015 | -0.013 | 34.563 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 397 | THR | 0 | -0.006 | -0.052 | 36.435 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 398 | PHE | 0 | -0.099 | -0.047 | 35.432 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 399 | GLN | 0 | -0.011 | -0.002 | 39.069 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 400 | ASP | -1 | -0.772 | -0.862 | 41.775 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 401 | GLU | -1 | -0.748 | -0.853 | 43.696 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 402 | GLN | 0 | -0.005 | -0.001 | 46.478 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 403 | THR | 0 | 0.028 | -0.011 | 40.308 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 404 | THR | 0 | -0.066 | -0.045 | 43.630 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 405 | LYS | 1 | 0.799 | 0.888 | 44.541 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 406 | GLN | 0 | 0.044 | 0.031 | 45.062 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 407 | ILE | 0 | 0.012 | -0.001 | 39.285 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 408 | GLN | 0 | -0.047 | -0.028 | 43.433 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 409 | GLN | 0 | -0.003 | -0.006 | 45.905 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 410 | VAL | 0 | 0.023 | 0.026 | 42.705 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 411 | PHE | 0 | -0.016 | -0.019 | 41.628 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 412 | ASP | -1 | -0.825 | -0.904 | 44.046 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 413 | LEU | 0 | 0.036 | 0.047 | 47.527 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 414 | TYR | 0 | -0.007 | -0.033 | 43.299 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 415 | LYS | 1 | 0.798 | 0.901 | 42.992 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 416 | GLN | 0 | -0.026 | -0.034 | 42.881 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 417 | LYS | 1 | 0.873 | 0.961 | 43.881 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 418 | ASN | 0 | -0.012 | -0.028 | 41.085 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 419 | ALA | 0 | 0.062 | 0.020 | 36.703 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 420 | SER | 0 | -0.004 | -0.003 | 37.893 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 421 | ILE | 0 | -0.039 | -0.028 | 38.802 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 422 | PHE | 0 | 0.015 | 0.014 | 38.336 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 423 | LEU | 0 | 0.006 | 0.004 | 34.468 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 424 | LYS | 1 | 0.957 | 0.979 | 38.346 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 425 | LEU | 0 | 0.046 | 0.036 | 40.865 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 426 | VAL | 0 | -0.014 | -0.011 | 37.772 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 427 | MET | 0 | -0.045 | -0.026 | 35.595 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 428 | ASP | -1 | -0.886 | -0.939 | 40.002 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 429 | TYR | 0 | -0.068 | -0.049 | 41.640 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 430 | PRO | 0 | -0.007 | 0.002 | 40.145 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 431 | ASN | 0 | 0.020 | 0.011 | 43.375 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 432 | SER | 0 | -0.049 | -0.024 | 45.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 433 | LYS | 1 | 0.944 | 0.959 | 48.347 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 434 | TYR | 0 | -0.007 | -0.014 | 48.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 435 | MET | 0 | -0.082 | -0.018 | 44.981 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 436 | GLU | -1 | -0.935 | -0.970 | 46.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 437 | ASP | -1 | -0.931 | -0.957 | 49.484 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 438 | TYR | 0 | -0.062 | -0.029 | 48.999 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 439 | THR | 0 | -0.013 | -0.003 | 43.855 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 440 | LEU | 0 | 0.000 | 0.007 | 39.471 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 441 | LEU | 0 | -0.048 | -0.049 | 41.054 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 442 | GLU | -1 | -0.849 | -0.920 | 44.401 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 443 | TYR | 0 | -0.010 | -0.016 | 44.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 444 | LEU | 0 | -0.041 | -0.024 | 41.938 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 445 | ILE | 0 | -0.017 | -0.012 | 46.662 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 446 | GLU | -1 | -0.878 | -0.938 | 49.741 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 447 | LEU | 0 | -0.063 | -0.029 | 47.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 448 | GLY | 0 | -0.096 | -0.041 | 51.154 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 449 | LYS | 0 | -0.038 | 0.012 | 52.894 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |