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: J2MR9
Calculation Name: 1PEV-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1PEV
Chain ID: A
UniProt ID: Q11176
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 610 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -12584764.011574 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12358096.627943 |
| FMO2-HF: Total energy | -226667.383631 |
| FMO2-MP2: Total energy | -227339.539446 |
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:2:SER)
Summations of interaction energy for
fragment #1(A:2: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. |
| -5.72 | -0.896 | 0.551 | -2.638 | -2.737 | -0.013 |
Interaction energy analysis for fragmet #1(A:2: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 | 4 | PHE | 0 | -0.014 | -0.017 | 2.427 | -1.861 | 1.110 | 0.166 | -1.512 | -1.624 | 0.002 |
| 4 | A | 5 | SER | 0 | -0.009 | 0.003 | 2.666 | -3.827 | -1.976 | 0.386 | -1.125 | -1.113 | -0.015 |
| 5 | A | 6 | GLN | 0 | -0.013 | -0.006 | 5.195 | 0.333 | 0.335 | -0.001 | -0.001 | 0.000 | 0.000 |
| 6 | A | 7 | THR | 0 | -0.028 | -0.021 | 8.806 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 8 | ALA | 0 | 0.041 | 0.023 | 11.304 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 9 | LEU | 0 | -0.020 | -0.011 | 14.272 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 10 | PHE | 0 | -0.021 | 0.022 | 16.688 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 11 | PRO | 0 | -0.034 | -0.034 | 20.198 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 12 | SER | 0 | 0.047 | 0.048 | 21.411 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 13 | LEU | 0 | -0.090 | -0.014 | 24.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 14 | PRO | 0 | 0.005 | 0.003 | 27.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 15 | ARG | 1 | 0.922 | 0.955 | 29.163 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 16 | THR | 0 | -0.063 | -0.036 | 30.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 17 | ALA | 0 | -0.002 | 0.001 | 34.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 18 | ARG | 1 | 0.987 | 0.980 | 37.853 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 19 | GLY | 0 | -0.004 | -0.007 | 41.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 20 | THR | 0 | -0.036 | -0.013 | 38.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 21 | ALA | 0 | 0.020 | 0.008 | 39.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 22 | VAL | 0 | -0.011 | -0.001 | 33.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 23 | VAL | 0 | -0.032 | -0.020 | 34.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 24 | LEU | 0 | -0.016 | -0.002 | 30.976 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 25 | GLY | 0 | 0.017 | 0.009 | 30.191 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 26 | ASN | 0 | -0.051 | -0.046 | 29.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 27 | THR | 0 | 0.008 | 0.013 | 25.001 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 28 | PRO | 0 | 0.027 | 0.017 | 27.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 29 | ALA | 0 | -0.001 | -0.009 | 28.469 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 30 | GLY | 0 | -0.020 | -0.015 | 30.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 31 | ASP | -1 | -0.806 | -0.897 | 25.562 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 32 | LYS | 1 | 0.931 | 0.981 | 20.516 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 33 | ILE | 0 | 0.016 | 0.014 | 26.690 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 34 | GLN | 0 | 0.002 | -0.002 | 24.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 35 | TYR | 0 | -0.002 | -0.015 | 25.215 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 36 | CYS | 0 | -0.025 | 0.001 | 25.984 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 37 | ASN | 0 | 0.017 | -0.008 | 25.472 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 38 | GLY | 0 | 0.026 | 0.034 | 25.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 39 | THR | 0 | -0.012 | -0.036 | 22.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 40 | SER | 0 | 0.012 | -0.019 | 20.205 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 41 | VAL | 0 | -0.012 | -0.001 | 21.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 42 | TYR | 0 | -0.005 | 0.007 | 20.307 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 43 | THR | 0 | 0.021 | 0.000 | 21.026 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 44 | VAL | 0 | 0.017 | 0.006 | 21.428 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 45 | PRO | 0 | 0.023 | 0.018 | 21.491 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 46 | VAL | 0 | -0.005 | -0.017 | 24.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 47 | GLY | 0 | -0.023 | -0.001 | 25.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 48 | SER | 0 | -0.024 | -0.033 | 19.875 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 49 | LEU | 0 | -0.001 | 0.000 | 22.342 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 50 | THR | 0 | 0.006 | -0.001 | 17.453 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 51 | ASP | -1 | -0.872 | -0.926 | 16.484 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 52 | THR | 0 | -0.030 | -0.020 | 17.853 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 53 | GLU | -1 | -0.964 | -0.966 | 16.662 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 54 | ILE | 0 | -0.023 | -0.024 | 16.469 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 55 | TYR | 0 | 0.004 | 0.024 | 16.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 56 | THR | 0 | -0.019 | -0.010 | 17.961 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 57 | GLU | -1 | -0.850 | -0.920 | 17.603 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 58 | HIS | 0 | -0.060 | 0.001 | 20.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 59 | SER | 0 | 0.028 | -0.007 | 23.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 60 | HIS | 0 | -0.021 | 0.001 | 25.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 61 | GLN | 0 | -0.028 | -0.023 | 27.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 62 | THR | 0 | 0.060 | 0.006 | 25.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 63 | THR | 0 | -0.098 | -0.058 | 28.667 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 64 | VAL | 0 | 0.019 | 0.020 | 31.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 65 | ALA | 0 | 0.027 | 0.001 | 26.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 66 | LYS | 1 | 0.806 | 0.897 | 28.915 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 67 | THR | 0 | 0.009 | -0.014 | 26.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 68 | SER | 0 | -0.018 | 0.011 | 28.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 69 | PRO | 0 | 0.013 | -0.009 | 29.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 70 | SER | 0 | -0.046 | -0.028 | 29.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 71 | GLY | 0 | -0.003 | -0.012 | 27.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 72 | TYR | 0 | -0.019 | -0.006 | 24.246 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 73 | TYR | 0 | 0.012 | 0.003 | 23.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 74 | CYS | 0 | -0.017 | 0.026 | 24.201 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 75 | ALA | 0 | -0.013 | 0.010 | 26.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 76 | SER | 0 | 0.018 | -0.016 | 25.943 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 77 | GLY | 0 | 0.024 | 0.009 | 28.201 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 78 | ASP | -1 | -0.755 | -0.865 | 29.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 79 | VAL | 0 | -0.028 | -0.055 | 31.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 80 | HIS | 0 | -0.042 | -0.036 | 32.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 81 | GLY | 0 | 0.019 | 0.047 | 34.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 82 | ASN | 0 | -0.094 | -0.041 | 29.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 83 | VAL | 0 | 0.023 | 0.002 | 30.381 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 84 | ARG | 1 | 0.854 | 0.924 | 21.653 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 85 | ILE | 0 | -0.002 | -0.006 | 26.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 86 | TRP | 0 | 0.028 | -0.002 | 20.396 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 87 | ASP | -1 | -0.760 | -0.853 | 18.555 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 88 | THR | 0 | -0.054 | -0.025 | 19.702 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 89 | THR | 0 | -0.044 | -0.041 | 19.060 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 90 | GLN | 0 | 0.004 | 0.013 | 14.767 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 91 | THR | 0 | -0.027 | -0.024 | 9.927 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 92 | THR | 0 | -0.002 | -0.005 | 12.398 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 93 | HIS | 1 | 0.874 | 0.934 | 14.029 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 94 | ILE | 0 | 0.041 | 0.024 | 16.337 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 95 | LEU | 0 | -0.030 | -0.012 | 19.129 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 96 | LYS | 1 | 0.905 | 0.965 | 22.392 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 97 | THR | 0 | 0.025 | -0.010 | 25.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 98 | THR | 0 | 0.004 | 0.004 | 26.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 99 | ILE | 0 | -0.017 | -0.008 | 28.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 100 | PRO | 0 | 0.015 | 0.029 | 32.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 101 | VAL | 0 | -0.011 | -0.010 | 34.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 102 | PHE | 0 | -0.024 | 0.006 | 37.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 103 | SER | 0 | -0.058 | -0.020 | 37.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 104 | GLY | 0 | 0.055 | 0.020 | 37.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 105 | PRO | 0 | -0.024 | -0.002 | 35.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 106 | VAL | 0 | -0.027 | 0.007 | 33.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 107 | LYS | 1 | 0.899 | 0.946 | 35.373 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 108 | ASP | -1 | -0.712 | -0.867 | 35.926 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 109 | ILE | 0 | -0.010 | -0.009 | 31.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 110 | SER | 0 | -0.013 | 0.016 | 35.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 111 | TRP | 0 | 0.049 | 0.025 | 28.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 112 | ASP | -1 | -0.737 | -0.868 | 35.136 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 113 | SER | 0 | 0.017 | -0.005 | 36.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 114 | GLU | -1 | -0.871 | -0.937 | 36.774 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 115 | SER | 0 | -0.015 | -0.005 | 31.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 116 | LYS | 1 | 0.882 | 0.939 | 33.047 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 117 | ARG | 1 | 0.760 | 0.875 | 35.484 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 118 | ILE | 0 | 0.046 | 0.028 | 31.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 119 | ALA | 0 | -0.020 | 0.001 | 35.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 120 | ALA | 0 | -0.001 | -0.008 | 35.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 121 | VAL | 0 | 0.017 | 0.000 | 37.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 122 | GLY | 0 | 0.047 | -0.001 | 38.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 123 | GLU | -1 | -0.948 | -0.978 | 40.165 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 124 | GLY | 0 | 0.038 | 0.030 | 41.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 125 | ARG | 1 | 0.900 | 0.947 | 41.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 126 | GLU | -1 | -0.836 | -0.919 | 42.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 127 | ARG | 1 | 0.844 | 0.909 | 39.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 128 | PHE | 0 | 0.027 | 0.030 | 43.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 129 | GLY | 0 | 0.073 | 0.026 | 41.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 130 | HIS | 0 | -0.071 | -0.029 | 37.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 131 | VAL | 0 | 0.049 | 0.028 | 39.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 132 | PHE | 0 | -0.028 | -0.017 | 33.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 133 | LEU | 0 | -0.003 | -0.002 | 36.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 134 | PHE | 0 | 0.002 | -0.015 | 28.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 135 | ASP | -1 | -0.901 | -0.945 | 30.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 136 | THR | 0 | 0.006 | -0.005 | 31.733 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 137 | GLY | 0 | 0.009 | 0.019 | 34.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 138 | THR | 0 | -0.023 | -0.007 | 35.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 139 | SER | 0 | 0.015 | 0.013 | 38.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 140 | ASN | 0 | -0.007 | -0.023 | 40.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 141 | GLY | 0 | 0.025 | -0.007 | 42.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 142 | ASN | 0 | -0.029 | 0.012 | 45.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 143 | LEU | 0 | -0.007 | 0.002 | 42.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 144 | THR | 0 | -0.018 | -0.031 | 46.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 145 | GLY | 0 | 0.028 | -0.007 | 49.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 146 | GLN | 0 | -0.009 | 0.026 | 47.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 147 | ALA | 0 | 0.017 | 0.006 | 50.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 148 | ARG | 1 | 0.869 | 0.935 | 49.159 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 149 | ALA | 0 | 0.083 | 0.059 | 43.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 150 | MET | 0 | -0.040 | 0.007 | 43.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 151 | ASN | 0 | -0.051 | -0.059 | 41.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 152 | SER | 0 | -0.040 | -0.003 | 40.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 153 | VAL | 0 | -0.006 | -0.014 | 38.898 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 154 | ASP | -1 | -0.842 | -0.938 | 39.763 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 155 | PHE | 0 | 0.000 | 0.003 | 38.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 156 | LYS | 1 | 0.799 | 0.932 | 41.784 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 157 | PRO | 0 | -0.010 | 0.003 | 41.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 158 | SER | 0 | 0.046 | 0.029 | 42.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 159 | ARG | 1 | 0.902 | 0.963 | 43.944 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 160 | PRO | 0 | -0.015 | -0.017 | 47.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 161 | PHE | 0 | 0.035 | 0.004 | 42.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 162 | ARG | 1 | 0.896 | 0.945 | 45.836 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 163 | ILE | 0 | 0.012 | 0.022 | 42.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 164 | ILE | 0 | 0.019 | 0.027 | 44.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 165 | SER | 0 | 0.005 | -0.047 | 44.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 166 | GLY | 0 | 0.008 | 0.005 | 44.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 167 | SER | 0 | -0.009 | -0.006 | 45.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 168 | ASP | -1 | -0.828 | -0.927 | 46.429 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 169 | ASP | -1 | -0.849 | -0.918 | 48.881 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 170 | ASN | 0 | -0.032 | -0.025 | 51.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 171 | THR | 0 | -0.037 | -0.026 | 52.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 172 | VAL | 0 | -0.013 | -0.012 | 49.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 173 | ALA | 0 | -0.021 | -0.002 | 49.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 174 | ILE | 0 | 0.010 | 0.008 | 48.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 175 | PHE | 0 | -0.020 | -0.007 | 47.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 176 | GLU | -1 | -0.900 | -0.958 | 48.638 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 177 | GLY | 0 | 0.005 | 0.014 | 47.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 178 | PRO | 0 | -0.102 | -0.026 | 44.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 179 | PRO | 0 | 0.023 | -0.023 | 46.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 180 | PHE | 0 | 0.027 | -0.007 | 42.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 181 | LYS | 1 | 0.944 | 0.979 | 47.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 182 | PHE | 0 | 0.036 | 0.019 | 50.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 183 | LYS | 1 | 0.897 | 0.988 | 51.826 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 184 | SER | 0 | -0.011 | -0.024 | 53.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 185 | THR | 0 | -0.007 | -0.003 | 53.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 186 | PHE | 0 | 0.026 | 0.003 | 52.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 187 | GLY | 0 | 0.029 | 0.002 | 54.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 188 | GLU | -1 | -0.893 | -0.951 | 55.451 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 189 | HIS | 1 | 0.737 | 0.862 | 51.260 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 190 | THR | 0 | 0.050 | 0.021 | 55.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 191 | LYS | 1 | 0.856 | 0.933 | 52.150 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 192 | PHE | 0 | 0.029 | 0.030 | 47.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 193 | VAL | 0 | -0.001 | 0.023 | 46.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 194 | HIS | 0 | -0.019 | -0.018 | 43.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 195 | SER | 0 | -0.008 | -0.002 | 42.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 196 | VAL | 0 | -0.011 | 0.000 | 43.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 197 | ARG | 1 | 0.816 | 0.916 | 37.485 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 198 | TYR | 0 | 0.034 | 0.003 | 43.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 199 | ASN | 0 | 0.000 | 0.015 | 43.045 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 200 | PRO | 0 | 0.031 | -0.009 | 41.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 201 | ASP | -1 | -0.801 | -0.842 | 42.713 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 202 | GLY | 0 | -0.013 | -0.027 | 45.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 203 | SER | 0 | -0.075 | -0.077 | 46.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 204 | LEU | 0 | -0.022 | -0.018 | 48.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 205 | PHE | 0 | 0.018 | 0.025 | 46.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 206 | ALA | 0 | 0.018 | 0.020 | 47.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 207 | SER | 0 | 0.011 | 0.033 | 47.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 208 | THR | 0 | -0.008 | -0.033 | 46.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 209 | GLY | 0 | 0.077 | 0.026 | 47.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 210 | GLY | 0 | 0.007 | 0.011 | 48.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 211 | ASP | -1 | -0.835 | -0.877 | 50.120 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 212 | GLY | 0 | 0.047 | 0.032 | 51.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 213 | THR | 0 | -0.008 | -0.031 | 52.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 214 | ILE | 0 | 0.015 | 0.003 | 48.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 215 | VAL | 0 | -0.038 | -0.005 | 51.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 216 | LEU | 0 | 0.023 | 0.008 | 51.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 217 | TYR | 0 | -0.011 | -0.020 | 51.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 218 | ASN | 0 | 0.076 | 0.036 | 52.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 219 | GLY | 0 | 0.019 | -0.006 | 50.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 220 | VAL | 0 | -0.041 | -0.013 | 50.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 221 | ASP | -1 | -0.855 | -0.928 | 52.497 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 222 | GLY | 0 | 0.009 | 0.000 | 53.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 223 | THR | 0 | -0.075 | -0.039 | 54.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 224 | LYS | 1 | 0.933 | 0.974 | 56.376 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 225 | THR | 0 | -0.030 | -0.031 | 55.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 226 | GLY | 0 | 0.017 | 0.013 | 57.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 227 | VAL | 0 | -0.027 | -0.014 | 55.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 228 | PHE | 0 | 0.002 | 0.011 | 51.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 229 | GLU | -1 | -0.918 | -0.973 | 54.690 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 230 | ASP | -1 | -0.807 | -0.899 | 54.253 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 231 | ASP | -1 | -0.874 | -0.941 | 56.353 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 232 | SER | 0 | -0.081 | -0.037 | 57.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 233 | LEU | 0 | -0.099 | -0.041 | 54.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 234 | LYS | 1 | 0.951 | 0.972 | 58.930 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 235 | ASN | 0 | -0.067 | -0.033 | 60.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 236 | VAL | 0 | 0.045 | 0.035 | 55.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 237 | ALA | 0 | 0.013 | 0.016 | 51.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 238 | HIS | 1 | 0.791 | 0.858 | 47.404 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 239 | SER | 0 | 0.022 | 0.016 | 51.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 240 | GLY | 0 | 0.016 | -0.001 | 50.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 241 | SER | 0 | 0.000 | 0.009 | 46.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 242 | VAL | 0 | -0.015 | 0.013 | 45.558 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 243 | PHE | 0 | -0.019 | -0.023 | 41.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 244 | GLY | 0 | 0.029 | 0.009 | 41.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 245 | LEU | 0 | -0.036 | -0.004 | 42.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 246 | THR | 0 | -0.001 | 0.009 | 39.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 247 | TRP | 0 | 0.022 | 0.006 | 41.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 248 | SER | 0 | 0.018 | 0.010 | 40.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 249 | PRO | 0 | 0.003 | -0.014 | 38.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 250 | ASP | -1 | -0.822 | -0.871 | 40.861 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 251 | GLY | 0 | -0.018 | -0.009 | 44.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 252 | THR | 0 | -0.048 | -0.050 | 45.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 253 | LYS | 1 | 0.909 | 0.947 | 45.803 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 254 | ILE | 0 | -0.007 | 0.008 | 45.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 255 | ALA | 0 | -0.001 | 0.021 | 41.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 256 | SER | 0 | -0.013 | 0.008 | 43.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 257 | ALA | 0 | 0.049 | 0.027 | 40.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 258 | SER | 0 | -0.008 | -0.005 | 43.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 259 | ALA | 0 | 0.032 | -0.001 | 44.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 260 | ASP | -1 | -0.853 | -0.911 | 45.969 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 261 | LYS | 1 | 0.885 | 0.947 | 44.652 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 262 | THR | 0 | -0.038 | -0.013 | 45.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 263 | ILE | 0 | 0.026 | 0.010 | 40.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 264 | LYS | 1 | 0.737 | 0.865 | 44.438 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 265 | ILE | 0 | 0.011 | 0.009 | 43.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 266 | TRP | 0 | -0.020 | -0.017 | 47.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 267 | ASN | 0 | 0.017 | -0.001 | 49.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 268 | VAL | 0 | -0.031 | -0.020 | 48.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 269 | ALA | 0 | -0.018 | 0.001 | 51.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 270 | THR | 0 | 0.005 | -0.008 | 55.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 271 | LEU | 0 | -0.029 | -0.005 | 54.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 272 | LYS | 1 | 0.955 | 0.981 | 55.135 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 273 | VAL | 0 | -0.019 | -0.005 | 50.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 274 | GLU | -1 | -0.841 | -0.921 | 49.676 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 275 | LYS | 1 | 0.866 | 0.942 | 47.734 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 276 | THR | 0 | 0.044 | 0.023 | 48.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 277 | ILE | 0 | -0.043 | -0.013 | 42.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 278 | PRO | 0 | -0.026 | -0.010 | 45.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 279 | VAL | 0 | 0.016 | 0.007 | 40.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 280 | GLY | 0 | 0.030 | 0.017 | 42.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 281 | THR | 0 | -0.041 | -0.028 | 44.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 282 | ARG | 1 | 0.964 | 0.989 | 42.474 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 283 | ILE | 0 | -0.008 | 0.000 | 43.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 284 | GLU | -1 | -0.890 | -0.972 | 39.348 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 285 | ASP | -1 | -0.816 | -0.921 | 39.767 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 286 | GLN | 0 | -0.081 | -0.014 | 41.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 287 | GLN | 0 | -0.024 | -0.026 | 39.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 288 | LEU | 0 | -0.007 | -0.007 | 37.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 289 | GLY | 0 | 0.027 | 0.021 | 36.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 290 | ILE | 0 | -0.056 | -0.028 | 36.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 291 | ILE | 0 | -0.022 | -0.005 | 32.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 292 | TRP | 0 | 0.037 | 0.015 | 36.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 293 | THR | 0 | -0.005 | 0.005 | 31.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 294 | LYS | 1 | 0.902 | 0.923 | 34.419 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 295 | GLN | 0 | -0.003 | -0.003 | 29.848 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 296 | ALA | 0 | 0.017 | 0.018 | 32.666 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 297 | LEU | 0 | 0.000 | 0.040 | 34.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 298 | VAL | 0 | -0.003 | -0.002 | 31.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 299 | SER | 0 | 0.016 | -0.013 | 35.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 300 | ILE | 0 | -0.036 | -0.006 | 32.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 301 | SER | 0 | 0.072 | 0.045 | 35.581 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 302 | ALA | 0 | 0.034 | 0.011 | 36.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 303 | ASN | 0 | -0.015 | -0.003 | 35.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 304 | GLY | 0 | -0.004 | -0.002 | 32.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 305 | PHE | 0 | 0.006 | -0.011 | 31.642 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 306 | ILE | 0 | 0.008 | 0.012 | 28.125 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 307 | ASN | 0 | -0.009 | -0.013 | 32.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 308 | PHE | 0 | 0.005 | -0.010 | 29.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 309 | VAL | 0 | 0.020 | -0.001 | 35.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 310 | ASN | 0 | 0.075 | 0.055 | 38.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 311 | PRO | 0 | -0.027 | -0.043 | 40.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 312 | GLU | -1 | -0.882 | -0.934 | 43.381 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 313 | LEU | 0 | -0.041 | -0.033 | 43.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 314 | GLY | 0 | -0.040 | -0.017 | 45.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 315 | SER | 0 | -0.005 | -0.009 | 43.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 316 | ILE | 0 | -0.012 | -0.017 | 37.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 317 | ASP | -1 | -0.918 | -0.960 | 36.258 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 318 | GLN | 0 | 0.070 | 0.034 | 29.873 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 319 | VAL | 0 | -0.025 | -0.008 | 33.639 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 320 | ARG | 1 | 0.834 | 0.947 | 25.623 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 321 | TYR | 0 | 0.038 | 0.006 | 29.565 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 322 | GLY | 0 | 0.073 | 0.028 | 26.997 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 323 | HIS | 0 | -0.031 | 0.006 | 25.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 324 | ASN | 0 | 0.041 | 0.035 | 26.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 325 | LYS | 1 | 0.852 | 0.943 | 28.523 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 326 | ALA | 0 | 0.015 | 0.027 | 26.030 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 327 | ILE | 0 | 0.009 | 0.013 | 22.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 328 | THR | 0 | -0.045 | -0.064 | 25.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 329 | ALA | 0 | -0.036 | 0.000 | 26.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 330 | LEU | 0 | -0.006 | -0.007 | 20.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 331 | SER | 0 | -0.007 | 0.008 | 25.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 332 | SER | 0 | 0.067 | 0.043 | 22.872 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 333 | SER | 0 | -0.038 | -0.049 | 25.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 334 | ALA | 0 | 0.008 | -0.002 | 26.146 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 335 | ASP | -1 | -0.871 | -0.915 | 26.768 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 336 | GLY | 0 | 0.027 | 0.007 | 23.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 337 | LYS | 1 | 0.939 | 0.973 | 23.190 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 338 | THR | 0 | -0.016 | -0.002 | 25.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 339 | LEU | 0 | -0.004 | 0.009 | 21.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 340 | PHE | 0 | 0.001 | -0.006 | 24.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 341 | SER | 0 | 0.008 | -0.029 | 24.725 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 342 | ALA | 0 | -0.002 | -0.003 | 26.642 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 343 | ASP | -1 | -0.742 | -0.844 | 27.950 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 344 | ALA | 0 | 0.023 | -0.018 | 29.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 345 | GLU | -1 | -0.919 | -0.973 | 31.796 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 346 | GLY | 0 | -0.036 | 0.002 | 33.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 347 | HIS | 1 | 0.798 | 0.893 | 32.230 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 348 | ILE | 0 | 0.032 | 0.003 | 30.856 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 349 | ASN | 0 | -0.032 | -0.027 | 28.069 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 350 | SER | 0 | -0.011 | 0.009 | 28.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 351 | TRP | 0 | 0.004 | -0.036 | 24.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 352 | ASP | -1 | -0.816 | -0.883 | 25.042 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 353 | ILE | 0 | -0.035 | -0.039 | 19.738 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 354 | SER | 0 | -0.068 | -0.033 | 20.375 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 355 | THR | 0 | 0.008 | -0.003 | 21.032 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 356 | GLY | 0 | 0.059 | 0.014 | 22.405 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 357 | ILE | 0 | -0.039 | -0.014 | 22.998 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 358 | SER | 0 | -0.008 | -0.005 | 26.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 359 | ASN | 0 | 0.000 | -0.001 | 28.302 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 360 | ARG | 1 | 0.870 | 0.949 | 31.313 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 361 | VAL | 0 | -0.035 | -0.013 | 33.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 362 | PHE | 0 | -0.013 | 0.014 | 35.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 363 | PRO | 0 | 0.008 | -0.014 | 38.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 364 | ASP | -1 | -0.816 | -0.884 | 36.898 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 365 | VAL | 0 | 0.028 | 0.012 | 36.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 366 | HIS | 1 | 0.777 | 0.867 | 36.334 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 367 | ALA | 0 | 0.031 | 0.022 | 38.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 368 | THR | 0 | 0.008 | -0.007 | 37.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 369 | MET | 0 | 0.054 | 0.053 | 31.329 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 370 | ILE | 0 | -0.021 | 0.017 | 31.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 371 | THR | 0 | -0.033 | -0.012 | 31.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 372 | GLY | 0 | 0.012 | -0.002 | 30.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 373 | ILE | 0 | -0.013 | -0.013 | 28.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 374 | LYS | 1 | 0.916 | 0.954 | 27.111 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 375 | THR | 0 | 0.004 | 0.040 | 28.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 376 | THR | 0 | 0.046 | 0.016 | 31.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 377 | SER | 0 | -0.035 | -0.028 | 33.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 378 | LYS | 1 | 0.918 | 0.965 | 34.515 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 379 | GLY | 0 | -0.009 | -0.008 | 34.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 380 | ASP | -1 | -0.899 | -0.944 | 35.922 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 381 | LEU | 0 | -0.023 | -0.022 | 31.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 382 | PHE | 0 | 0.009 | 0.003 | 34.482 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 383 | THR | 0 | -0.004 | -0.010 | 33.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 384 | VAL | 0 | 0.012 | 0.013 | 34.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 385 | SER | 0 | -0.002 | -0.013 | 35.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 386 | TRP | 0 | -0.007 | -0.007 | 34.056 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 387 | ASP | -1 | -0.800 | -0.870 | 38.828 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 388 | ASP | -1 | -0.864 | -0.942 | 40.999 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 389 | HIS | 0 | -0.082 | -0.048 | 41.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 390 | LEU | 0 | 0.016 | 0.012 | 38.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 391 | LYS | 1 | 0.816 | 0.887 | 39.128 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 392 | VAL | 0 | 0.022 | 0.023 | 38.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 393 | VAL | 0 | -0.017 | -0.009 | 37.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 394 | PRO | 0 | 0.039 | 0.029 | 38.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 395 | ALA | 0 | 0.069 | 0.018 | 36.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 396 | GLY | 0 | -0.016 | 0.003 | 36.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 397 | GLY | 0 | -0.018 | 0.018 | 38.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 398 | SER | 0 | -0.059 | -0.020 | 39.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 399 | GLY | 0 | 0.025 | -0.003 | 36.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 400 | VAL | 0 | -0.022 | -0.018 | 34.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 401 | ASP | -1 | -0.800 | -0.894 | 37.589 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 402 | SER | 0 | -0.010 | -0.029 | 39.053 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 403 | SER | 0 | -0.034 | -0.030 | 40.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 404 | LYS | 1 | 0.849 | 0.920 | 43.664 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 405 | ALA | 0 | -0.004 | 0.011 | 41.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 406 | VAL | 0 | -0.011 | 0.017 | 43.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 407 | ALA | 0 | -0.018 | -0.033 | 43.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 408 | ASN | 0 | -0.011 | -0.010 | 43.572 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 409 | LYS | 1 | 0.924 | 0.977 | 44.236 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 410 | LEU | 0 | -0.009 | -0.013 | 40.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 411 | SER | 0 | -0.062 | -0.086 | 44.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 412 | SER | 0 | -0.076 | -0.041 | 43.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 413 | GLN | 0 | 0.047 | 0.022 | 38.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 414 | PRO | 0 | -0.003 | 0.016 | 36.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 415 | LEU | 0 | -0.012 | -0.015 | 33.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 416 | GLY | 0 | 0.027 | 0.020 | 31.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 417 | LEU | 0 | -0.056 | -0.021 | 31.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 418 | ALA | 0 | -0.027 | -0.007 | 31.234 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 419 | VAL | 0 | -0.002 | -0.004 | 32.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 420 | SER | 0 | 0.000 | 0.015 | 32.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 421 | ALA | 0 | 0.045 | 0.014 | 32.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 422 | ASP | -1 | -0.810 | -0.916 | 33.344 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 423 | GLY | 0 | -0.033 | -0.031 | 36.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 424 | ASP | -1 | -1.040 | -1.000 | 37.622 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 425 | ILE | 0 | 0.036 | 0.008 | 38.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 426 | ALA | 0 | -0.020 | 0.001 | 36.995 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 427 | VAL | 0 | -0.003 | -0.012 | 36.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 428 | ALA | 0 | 0.011 | -0.006 | 35.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 429 | ALA | 0 | -0.002 | 0.014 | 35.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 430 | CYS | 0 | -0.012 | 0.002 | 36.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 431 | TYR | 0 | -0.002 | 0.016 | 39.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 432 | LYS | 1 | 0.957 | 0.965 | 40.843 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 433 | HIS | 0 | 0.075 | 0.031 | 42.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 434 | ILE | 0 | 0.016 | 0.044 | 39.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 435 | ALA | 0 | -0.025 | -0.015 | 40.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 436 | ILE | 0 | 0.013 | 0.007 | 40.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 437 | TYR | 0 | -0.024 | -0.009 | 41.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 438 | SER | 0 | 0.035 | 0.015 | 41.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 439 | HIS | 0 | 0.024 | 0.003 | 44.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 440 | GLY | 0 | -0.007 | 0.009 | 45.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 441 | LYS | 1 | 0.908 | 0.960 | 47.095 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 442 | LEU | 0 | 0.030 | 0.014 | 43.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 443 | THR | 0 | -0.044 | -0.020 | 45.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 444 | GLU | -1 | -0.800 | -0.866 | 45.247 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 445 | VAL | 0 | 0.021 | 0.024 | 44.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 446 | PRO | 0 | -0.005 | 0.004 | 45.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 447 | ILE | 0 | -0.011 | 0.006 | 41.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 448 | SER | 0 | -0.049 | -0.033 | 45.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 449 | TYR | 0 | -0.010 | -0.019 | 38.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 450 | ASN | 0 | 0.021 | 0.010 | 40.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 451 | SER | 0 | -0.051 | -0.043 | 36.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 452 | SER | 0 | -0.009 | -0.029 | 32.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 453 | CYS | 0 | -0.065 | 0.004 | 30.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 454 | VAL | 0 | 0.013 | -0.004 | 31.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 455 | ALA | 0 | -0.017 | 0.008 | 29.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 456 | LEU | 0 | 0.007 | 0.006 | 31.553 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 457 | SER | 0 | -0.057 | -0.047 | 31.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 458 | ASN | 0 | 0.065 | 0.019 | 30.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 459 | ASP | -1 | -0.869 | -0.903 | 32.591 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 460 | LYS | 1 | 0.902 | 0.937 | 35.609 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 461 | GLN | 0 | 0.011 | 0.029 | 37.445 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 462 | PHE | 0 | -0.006 | -0.022 | 35.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 463 | VAL | 0 | 0.034 | 0.021 | 35.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 464 | ALA | 0 | -0.028 | -0.005 | 32.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 465 | VAL | 0 | 0.014 | -0.008 | 33.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 466 | GLY | 0 | 0.022 | 0.001 | 32.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 467 | GLY | 0 | 0.051 | 0.024 | 33.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 468 | GLN | 0 | 0.007 | -0.020 | 35.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 469 | ASP | -1 | -0.827 | -0.910 | 37.086 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 470 | SER | 0 | -0.058 | -0.038 | 34.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 471 | LYS | 1 | 0.916 | 0.965 | 35.645 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 472 | VAL | 0 | 0.012 | 0.006 | 31.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 473 | HIS | 1 | 0.796 | 0.902 | 35.204 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 474 | VAL | 0 | 0.029 | 0.018 | 35.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 475 | TYR | 0 | 0.018 | 0.018 | 37.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 476 | LYS | 1 | 0.908 | 0.961 | 39.532 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 477 | LEU | 0 | 0.004 | -0.005 | 40.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 478 | SER | 0 | -0.010 | -0.001 | 42.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 479 | GLY | 0 | 0.060 | 0.035 | 45.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 480 | ALA | 0 | 0.019 | -0.007 | 44.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 481 | SER | 0 | -0.058 | -0.019 | 46.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 482 | VAL | 0 | 0.048 | 0.013 | 42.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 483 | SER | 0 | -0.015 | -0.010 | 44.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 484 | GLU | -1 | -0.836 | -0.914 | 41.599 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 485 | VAL | 0 | -0.040 | -0.028 | 39.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 486 | LYS | 1 | 0.821 | 0.913 | 36.750 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 487 | THR | 0 | 0.004 | 0.013 | 38.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 488 | ILE | 0 | -0.025 | -0.005 | 32.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 489 | VAL | 0 | -0.003 | -0.002 | 35.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 490 | HIS | 0 | -0.016 | 0.008 | 28.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 491 | PRO | 0 | -0.065 | -0.033 | 30.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 492 | ALA | 0 | -0.004 | -0.004 | 30.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 493 | GLU | -1 | -0.900 | -0.953 | 32.934 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 494 | ILE | 0 | 0.014 | 0.020 | 30.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 495 | THR | 0 | -0.061 | -0.032 | 26.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 496 | SER | 0 | -0.018 | -0.030 | 25.076 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 497 | VAL | 0 | 0.020 | -0.013 | 27.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 498 | ALA | 0 | 0.022 | 0.018 | 24.883 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 499 | PHE | 0 | 0.058 | 0.038 | 26.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 500 | SER | 0 | -0.022 | -0.001 | 25.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 501 | ASN | 0 | 0.070 | 0.020 | 24.291 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 502 | ASN | 0 | -0.015 | -0.005 | 27.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 503 | GLY | 0 | -0.001 | 0.001 | 29.210 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 504 | ALA | 0 | -0.024 | -0.004 | 28.219 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 505 | PHE | 0 | -0.010 | -0.018 | 25.333 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 506 | LEU | 0 | 0.020 | 0.020 | 28.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 507 | VAL | 0 | -0.044 | -0.020 | 23.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 508 | ALA | 0 | 0.025 | 0.008 | 26.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 509 | THR | 0 | 0.012 | 0.008 | 23.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 510 | ASP | -1 | -0.710 | -0.795 | 26.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 511 | GLN | 0 | -0.009 | -0.027 | 26.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 512 | SER | 0 | -0.149 | -0.083 | 28.041 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 513 | ARG | 1 | 0.857 | 0.919 | 22.816 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 514 | LYS | 1 | 0.925 | 0.983 | 22.726 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 515 | VAL | 0 | 0.026 | 0.017 | 20.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 516 | ILE | 0 | -0.047 | -0.033 | 23.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 517 | PRO | 0 | 0.007 | 0.013 | 23.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 518 | TYR | 0 | -0.020 | -0.055 | 25.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 519 | SER | 0 | 0.023 | 0.006 | 29.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 520 | VAL | 0 | 0.006 | 0.010 | 30.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 521 | ALA | 0 | 0.010 | 0.005 | 32.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 522 | ASN | 0 | -0.042 | -0.030 | 33.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 523 | ASN | 0 | 0.013 | 0.007 | 35.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 524 | PHE | 0 | 0.008 | -0.016 | 33.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 525 | GLU | -1 | -0.852 | -0.894 | 33.741 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 526 | LEU | 0 | -0.010 | -0.019 | 29.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 527 | ALA | 0 | -0.008 | 0.006 | 26.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 528 | HIS | 1 | 0.873 | 0.948 | 21.992 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 529 | THR | 0 | 0.028 | 0.004 | 26.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 530 | ASN | 0 | -0.007 | 0.006 | 21.584 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 531 | SER | 0 | 0.032 | 0.017 | 23.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 532 | TRP | 0 | 0.020 | 0.003 | 18.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 533 | THR | 0 | -0.038 | -0.043 | 20.455 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 534 | PHE | 0 | 0.062 | 0.031 | 15.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 535 | HIS | 0 | 0.005 | 0.035 | 16.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 536 | THR | 0 | -0.041 | -0.024 | 18.386 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 537 | ALA | 0 | 0.006 | -0.014 | 20.791 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 538 | LYS | 1 | 1.018 | 1.010 | 22.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 539 | VAL | 0 | 0.013 | 0.032 | 21.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 540 | ALA | 0 | -0.031 | -0.033 | 22.128 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 541 | CYS | 0 | -0.039 | 0.036 | 20.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 542 | VAL | 0 | 0.042 | 0.013 | 20.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 543 | SER | 0 | 0.012 | 0.011 | 19.656 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 544 | TRP | 0 | -0.021 | -0.027 | 19.565 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 545 | SER | 0 | 0.050 | 0.033 | 17.055 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 546 | PRO | 0 | -0.007 | -0.024 | 18.882 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 547 | ASP | -1 | -0.785 | -0.897 | 18.145 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 548 | ASN | 0 | -0.056 | -0.015 | 21.271 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 549 | VAL | 0 | -0.025 | -0.004 | 18.607 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 550 | ARG | 1 | 0.818 | 0.889 | 11.041 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 551 | LEU | 0 | -0.008 | 0.007 | 17.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 552 | ALA | 0 | -0.004 | 0.000 | 15.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 553 | THR | 0 | -0.002 | -0.013 | 16.426 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 554 | GLY | 0 | 0.048 | 0.021 | 16.516 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 555 | SER | 0 | 0.013 | -0.002 | 18.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 556 | LEU | 0 | 0.031 | -0.016 | 19.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 557 | ASP | -1 | -0.817 | -0.901 | 17.537 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 558 | ASN | 0 | 0.007 | -0.003 | 16.449 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 559 | SER | 0 | -0.144 | -0.053 | 13.178 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 560 | VAL | 0 | 0.067 | 0.023 | 12.123 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 561 | ILE | 0 | -0.038 | -0.009 | 12.018 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 562 | VAL | 0 | 0.019 | 0.007 | 11.128 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 563 | TRP | 0 | -0.007 | -0.022 | 12.948 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 564 | ASN | 0 | 0.061 | 0.004 | 14.700 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 565 | MET | 0 | -0.009 | -0.005 | 16.639 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 566 | ASN | 0 | 0.010 | 0.007 | 18.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 567 | LYS | 1 | 0.860 | 0.957 | 15.024 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 568 | PRO | 0 | 0.006 | 0.002 | 17.113 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 569 | SER | 0 | -0.003 | -0.014 | 18.142 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 570 | ASP | -1 | -0.908 | -0.942 | 13.366 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 571 | HIS | 0 | -0.047 | -0.023 | 10.187 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 572 | PRO | 0 | -0.021 | -0.002 | 11.651 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 573 | ILE | 0 | 0.056 | 0.040 | 6.973 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 574 | ILE | 0 | -0.028 | -0.024 | 8.500 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 575 | ILE | 0 | 0.017 | 0.035 | 7.763 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 576 | LYS | 1 | 0.907 | 0.930 | 9.173 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 577 | GLY | 0 | 0.006 | -0.004 | 10.766 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 578 | ALA | 0 | 0.039 | 0.036 | 11.446 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 579 | HIS | 0 | -0.039 | -0.014 | 12.415 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 580 | ALA | 0 | 0.032 | 0.007 | 15.618 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 581 | MET | 0 | -0.004 | 0.041 | 16.850 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 582 | SER | 0 | 0.022 | 0.013 | 19.180 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 583 | SER | 0 | -0.038 | -0.003 | 19.246 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 584 | VAL | 0 | -0.019 | 0.003 | 16.089 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 585 | ASN | 0 | -0.027 | -0.052 | 19.381 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 586 | SER | 0 | -0.016 | -0.020 | 20.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 587 | VAL | 0 | 0.028 | -0.005 | 16.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 588 | ILE | 0 | -0.019 | -0.003 | 18.222 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 589 | TRP | 0 | -0.055 | -0.008 | 13.646 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 590 | LEU | 0 | -0.011 | -0.009 | 17.207 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 591 | ASN | 0 | 0.042 | 0.017 | 15.828 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 592 | GLU | -1 | -0.882 | -0.942 | 16.356 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 593 | THR | 0 | -0.053 | -0.019 | 11.743 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 594 | THR | 0 | -0.002 | -0.001 | 11.727 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 595 | ILE | 0 | -0.015 | 0.002 | 12.116 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 596 | VAL | 0 | 0.015 | 0.023 | 13.783 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 597 | SER | 0 | -0.030 | -0.034 | 14.971 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 598 | ALA | 0 | 0.032 | 0.013 | 16.887 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 599 | GLY | 0 | 0.022 | 0.011 | 19.766 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 600 | GLN | 0 | 0.000 | -0.007 | 20.954 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 601 | ASP | -1 | -0.780 | -0.900 | 19.023 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 602 | SER | 0 | -0.080 | -0.047 | 22.680 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 603 | ASN | 0 | -0.009 | -0.018 | 18.286 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 604 | ILE | 0 | 0.035 | 0.009 | 18.689 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 605 | LYS | 1 | 0.834 | 0.905 | 13.320 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 606 | PHE | 0 | 0.038 | 0.035 | 13.648 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 607 | TRP | 0 | -0.015 | -0.029 | 7.932 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 608 | ASN | 0 | 0.012 | 0.014 | 8.052 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 609 | VAL | 0 | 0.008 | -0.012 | 7.045 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 610 | PRO | 0 | 0.019 | 0.021 | 6.563 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 611 | PHE | 0 | 0.014 | 0.015 | 9.454 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |