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: 2G4LR
Calculation Name: 7WG5-A-Other547
Preferred Name:
Target Type:
Ligand Name: chlorophyll a | chlorophyll b | digalactosyl diacyl glycerol (dgdg) | (3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol | (3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol | 1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol | beta-carotene | 1,2-distearoyl-monogalactosyl-diglyceride | 1,2-dipalmitoyl-phosphatidyl-glycerole | dodecyl-alpha-d-maltoside | phylloquinone | iron/sulfur cluster | fe2/s2 (inorganic) cluster
Ligand 3-letter code: CLA | CHL | DGD | XAT | LUT | SQD | BCR | LMG | LHG | LMU | PQN | SF4 | FES
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7WG5
Chain ID: A
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-06
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 | 742 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17712985.161454 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17428243.104529 |
| FMO2-HF: Total energy | -284742.056926 |
| FMO2-MP2: Total energy | -285586.477488 |
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:9:GLU)
Summations of interaction energy for
fragment #1(A:9:GLU)
| 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. |
| -46.319 | -41.75 | 8.917 | -5.844 | -7.641 | -0.015 |
Interaction energy analysis for fragmet #1(A:9:GLU)
| 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 | 11 | LYS | 1 | 0.925 | 0.957 | 2.272 | -16.205 | -13.672 | 3.567 | -2.484 | -3.616 | 0.020 |
| 4 | A | 12 | ILE | 0 | 0.055 | 0.014 | 4.997 | -0.241 | -0.199 | -0.001 | -0.006 | -0.035 | 0.000 |
| 303 | A | 311 | THR | 0 | 0.003 | 0.005 | 5.331 | -1.739 | -1.656 | -0.001 | -0.010 | -0.071 | 0.000 |
| 304 | A | 312 | ASN | 0 | 0.014 | -0.016 | 2.248 | -19.842 | -18.119 | 5.354 | -3.510 | -3.566 | -0.035 |
| 305 | A | 313 | TRP | 0 | -0.002 | 0.011 | 3.321 | 1.353 | 1.541 | -0.002 | 0.166 | -0.353 | 0.000 |
| 5 | A | 13 | LEU | 0 | -0.056 | -0.023 | 4.966 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 14 | VAL | 0 | 0.046 | 0.030 | 9.113 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 15 | ASP | -1 | -0.871 | -0.931 | 12.927 | 1.673 | 1.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 16 | ARG | 1 | 0.897 | 0.929 | 15.746 | -0.990 | -0.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 17 | ASP | -1 | -0.863 | -0.912 | 19.116 | 0.593 | 0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 18 | PRO | 0 | 0.025 | 0.038 | 19.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 19 | ILE | 0 | 0.034 | 0.019 | 22.241 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 20 | LYS | 1 | 0.851 | 0.918 | 25.536 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 21 | THR | 0 | 0.005 | -0.007 | 28.425 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 22 | SER | 0 | -0.021 | -0.004 | 30.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 23 | PHE | 0 | 0.031 | 0.009 | 34.041 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 24 | GLU | -1 | -0.819 | -0.884 | 35.708 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 25 | GLU | -1 | -0.817 | -0.926 | 32.560 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 26 | TRP | 0 | -0.049 | -0.022 | 33.692 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 27 | ALA | 0 | -0.015 | 0.004 | 37.588 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 28 | LYS | 1 | 0.765 | 0.875 | 36.948 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 29 | PRO | 0 | 0.015 | -0.002 | 38.278 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 30 | GLY | 0 | 0.029 | -0.006 | 37.009 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 31 | HIS | 0 | -0.022 | -0.019 | 32.270 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 32 | PHE | 0 | -0.005 | 0.012 | 31.262 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 33 | SER | 0 | 0.003 | -0.007 | 31.667 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 34 | ARG | 1 | 0.894 | 0.920 | 30.077 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 35 | THR | 0 | -0.005 | 0.002 | 35.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 36 | ILE | 0 | -0.019 | 0.013 | 37.066 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 37 | ALA | 0 | 0.032 | 0.038 | 36.572 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 38 | LYS | 1 | 0.862 | 0.928 | 38.727 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 39 | GLY | 0 | 0.019 | 0.019 | 42.272 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 40 | PRO | 0 | -0.041 | -0.026 | 44.381 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 41 | ASP | -1 | -0.799 | -0.892 | 46.963 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 42 | THR | 0 | -0.061 | -0.036 | 48.047 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 43 | THR | 0 | 0.064 | 0.023 | 48.459 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 44 | THR | 0 | -0.015 | -0.016 | 46.456 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 45 | TRP | 0 | -0.033 | -0.009 | 41.877 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 46 | ILE | 0 | 0.078 | 0.032 | 42.859 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 47 | TRP | 0 | -0.022 | 0.005 | 42.786 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 48 | ASN | 0 | 0.017 | -0.003 | 40.556 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 49 | LEU | 0 | 0.015 | 0.026 | 37.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 50 | HIS | 0 | -0.040 | -0.038 | 37.758 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 51 | ALA | 0 | -0.041 | -0.017 | 37.409 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 52 | ASP | -1 | -0.831 | -0.903 | 34.765 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 53 | ALA | 0 | -0.003 | 0.019 | 33.438 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 54 | HIS | 0 | -0.005 | -0.020 | 30.307 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 55 | ASP | -1 | -0.804 | -0.841 | 29.485 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 56 | PHE | 0 | 0.032 | -0.005 | 25.444 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 57 | ASP | -1 | -0.804 | -0.899 | 24.725 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 58 | SER | 0 | -0.049 | -0.011 | 26.741 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 59 | HIS | 0 | -0.034 | -0.017 | 28.046 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 60 | THR | 0 | 0.009 | 0.011 | 24.325 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 61 | SER | 0 | 0.002 | 0.010 | 24.495 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 62 | ASP | -1 | -0.825 | -0.938 | 19.624 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 63 | LEU | 0 | 0.031 | 0.010 | 17.299 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 64 | GLU | -1 | -0.837 | -0.878 | 14.330 | 1.546 | 1.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 65 | GLU | -1 | -0.764 | -0.869 | 17.389 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 66 | ILE | 0 | -0.046 | -0.011 | 20.855 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 67 | SER | 0 | 0.001 | -0.019 | 17.127 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 68 | ARG | 1 | 0.805 | 0.903 | 16.583 | -1.062 | -1.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 69 | LYS | 1 | 0.845 | 0.942 | 19.869 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 70 | VAL | 0 | -0.013 | -0.002 | 20.892 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 71 | PHE | 0 | 0.019 | 0.014 | 17.458 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 72 | SER | 0 | 0.001 | -0.035 | 21.075 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 73 | ALA | 0 | -0.009 | 0.008 | 23.708 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 74 | HIS | 0 | -0.059 | -0.024 | 22.046 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 75 | PHE | 0 | 0.018 | 0.009 | 20.154 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 76 | GLY | 0 | 0.023 | 0.019 | 25.489 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 77 | GLN | 0 | 0.028 | 0.020 | 28.280 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 78 | LEU | 0 | 0.028 | 0.006 | 24.468 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 79 | SER | 0 | -0.082 | -0.045 | 28.856 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 80 | ILE | 0 | 0.018 | 0.007 | 31.048 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 81 | ILE | 0 | 0.015 | 0.010 | 30.264 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 82 | PHE | 0 | 0.027 | 0.003 | 28.155 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 83 | LEU | 0 | 0.013 | 0.015 | 33.723 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 84 | TRP | 0 | 0.020 | 0.014 | 36.018 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 85 | LEU | 0 | 0.014 | 0.007 | 33.693 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 86 | SER | 0 | -0.045 | -0.039 | 37.551 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 87 | GLY | 0 | 0.019 | 0.012 | 39.226 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 88 | MET | 0 | -0.015 | -0.003 | 40.797 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 89 | TYR | 0 | 0.033 | 0.008 | 37.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 90 | PHE | 0 | -0.024 | -0.015 | 42.382 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 91 | HIS | 0 | -0.090 | -0.050 | 44.764 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 92 | GLY | 0 | 0.027 | -0.005 | 45.773 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 93 | ALA | 0 | -0.053 | -0.020 | 45.784 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 94 | ARG | 1 | 0.912 | 0.961 | 47.762 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 95 | PHE | 0 | -0.061 | -0.027 | 49.212 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 96 | SER | 0 | -0.026 | -0.036 | 50.007 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 97 | ASN | 0 | 0.040 | 0.022 | 52.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 98 | TYR | 0 | 0.054 | 0.018 | 46.119 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 99 | GLU | -1 | -0.702 | -0.871 | 51.143 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 100 | ALA | 0 | -0.001 | 0.024 | 53.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 101 | TRP | 0 | -0.012 | -0.006 | 48.237 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 102 | LEU | 0 | -0.035 | -0.028 | 48.113 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 103 | SER | 0 | -0.017 | -0.011 | 52.167 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 104 | ASP | -1 | -0.816 | -0.881 | 55.823 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 105 | PRO | 0 | 0.038 | 0.041 | 52.196 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 106 | THR | 0 | -0.114 | -0.083 | 54.005 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 107 | HIS | 1 | 0.796 | 0.867 | 56.695 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 108 | ILE | 0 | -0.041 | 0.014 | 55.663 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 109 | GLY | 0 | 0.064 | 0.035 | 55.207 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 110 | PRO | 0 | -0.019 | -0.014 | 49.897 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 111 | SER | 0 | 0.002 | -0.003 | 51.982 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 112 | ALA | 0 | 0.033 | 0.024 | 48.074 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 113 | GLN | 0 | 0.010 | -0.008 | 49.204 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 114 | VAL | 0 | 0.006 | 0.021 | 51.734 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 115 | VAL | 0 | -0.027 | -0.007 | 54.640 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 116 | TRP | 0 | 0.012 | -0.001 | 52.896 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 117 | PRO | 0 | 0.004 | 0.005 | 58.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 118 | ILE | 0 | -0.029 | -0.017 | 59.895 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 119 | VAL | 0 | -0.022 | -0.015 | 61.613 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 120 | GLY | 0 | 0.056 | 0.038 | 64.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 121 | GLN | 0 | -0.038 | -0.024 | 57.545 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 122 | GLU | -1 | -0.792 | -0.909 | 60.877 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 123 | ILE | 0 | -0.041 | -0.017 | 62.475 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 124 | LEU | 0 | -0.009 | -0.013 | 57.453 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 125 | ASN | 0 | -0.025 | 0.007 | 57.782 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 126 | GLY | 0 | 0.070 | 0.024 | 59.072 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 127 | ASP | -1 | -0.871 | -0.918 | 60.152 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 128 | VAL | 0 | -0.040 | -0.021 | 56.206 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 129 | GLY | 0 | 0.070 | 0.044 | 58.587 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 130 | GLY | 0 | 0.025 | -0.014 | 58.598 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 131 | GLY | 0 | -0.032 | -0.013 | 59.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 132 | PHE | 0 | -0.022 | -0.006 | 54.594 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 133 | ARG | 1 | 0.841 | 0.919 | 59.704 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 134 | GLY | 0 | 0.001 | -0.006 | 56.140 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 135 | ILE | 0 | -0.012 | 0.000 | 52.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 136 | GLN | 0 | 0.019 | 0.027 | 53.050 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 137 | ILE | 0 | -0.074 | -0.034 | 46.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 138 | THR | 0 | 0.024 | -0.007 | 48.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 139 | SER | 0 | -0.019 | -0.024 | 42.892 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 140 | GLY | 0 | 0.060 | 0.025 | 42.781 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 141 | PHE | 0 | -0.006 | -0.008 | 38.862 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 142 | PHE | 0 | -0.001 | 0.022 | 43.364 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 143 | GLN | 0 | 0.080 | 0.036 | 44.793 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 144 | ILE | 0 | -0.002 | 0.007 | 38.728 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 145 | TRP | 0 | -0.013 | -0.006 | 40.447 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 146 | ARG | 1 | 0.923 | 0.984 | 42.760 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 147 | ALA | 0 | 0.033 | 0.024 | 40.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 148 | SER | 0 | -0.079 | -0.030 | 39.129 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 149 | GLY | 0 | 0.045 | 0.027 | 40.320 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 150 | ILE | 0 | -0.016 | -0.001 | 40.416 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 151 | THR | 0 | -0.015 | -0.010 | 44.075 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 152 | SER | 0 | -0.006 | -0.013 | 46.901 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 153 | GLU | -1 | -0.914 | -0.940 | 46.671 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 154 | LEU | 0 | -0.037 | -0.023 | 45.939 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 155 | GLN | 0 | 0.035 | 0.001 | 42.691 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 156 | LEU | 0 | 0.024 | 0.025 | 41.928 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 157 | TYR | 0 | 0.007 | -0.007 | 42.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 158 | CYS | 0 | -0.015 | -0.003 | 40.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 159 | THR | 0 | 0.020 | 0.012 | 37.066 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 160 | ALA | 0 | -0.006 | 0.015 | 37.754 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 161 | ILE | 0 | -0.017 | -0.009 | 38.941 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 162 | GLY | 0 | 0.017 | 0.007 | 35.776 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 163 | ALA | 0 | 0.000 | 0.004 | 34.332 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 164 | LEU | 0 | 0.022 | 0.000 | 34.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 165 | VAL | 0 | -0.028 | -0.006 | 32.131 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 166 | PHE | 0 | 0.006 | -0.006 | 27.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 167 | ALA | 0 | 0.003 | 0.010 | 30.114 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 168 | ALA | 0 | 0.001 | -0.003 | 31.230 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 169 | LEU | 0 | -0.022 | -0.004 | 26.659 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 170 | MET | 0 | -0.011 | -0.001 | 24.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 171 | LEU | 0 | 0.033 | 0.018 | 26.629 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 172 | PHE | 0 | -0.018 | -0.006 | 24.874 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 173 | ALA | 0 | -0.009 | -0.005 | 22.749 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 174 | GLY | 0 | 0.051 | 0.013 | 22.828 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 175 | TRP | 0 | -0.007 | -0.001 | 24.322 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 176 | PHE | 0 | 0.009 | -0.005 | 19.548 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 177 | HIS | 1 | 0.812 | 0.892 | 17.750 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 178 | TYR | 0 | -0.020 | -0.029 | 20.094 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 179 | HIS | 0 | 0.048 | 0.024 | 22.540 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 180 | LYS | 1 | 0.786 | 0.898 | 22.512 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 181 | ALA | 0 | 0.004 | -0.005 | 17.547 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 182 | ALA | 0 | 0.027 | 0.047 | 17.694 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 183 | PRO | 0 | -0.002 | 0.005 | 13.081 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 184 | LYS | 1 | 0.970 | 0.989 | 9.228 | -4.038 | -4.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 185 | LEU | 0 | 0.012 | -0.016 | 12.091 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 186 | ALA | 0 | -0.080 | -0.055 | 7.330 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 187 | TRP | 0 | -0.024 | 0.007 | 7.890 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 188 | PHE | 0 | 0.012 | 0.000 | 9.903 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 189 | GLN | 0 | -0.022 | -0.017 | 10.067 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 190 | ASP | -1 | -0.880 | -0.940 | 6.507 | -5.749 | -5.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 191 | VAL | 0 | 0.039 | 0.010 | 8.239 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 192 | GLU | -1 | -0.796 | -0.898 | 7.372 | -6.232 | -6.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 193 | SER | 0 | 0.007 | -0.002 | 7.621 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 194 | MET | 0 | -0.020 | 0.001 | 9.485 | 0.821 | 0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 195 | LEU | 0 | 0.025 | 0.010 | 12.717 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 196 | ASN | 0 | 0.025 | 0.005 | 10.432 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 197 | HIS | 0 | -0.047 | -0.029 | 9.829 | 0.635 | 0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 198 | HIS | 0 | -0.002 | -0.007 | 14.678 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 199 | LEU | 0 | -0.009 | 0.014 | 16.525 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 200 | ALA | 0 | 0.069 | 0.031 | 16.177 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 201 | GLY | 0 | -0.006 | -0.006 | 17.437 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 202 | LEU | 0 | -0.054 | -0.028 | 18.792 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 203 | LEU | 0 | 0.004 | 0.006 | 21.032 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 204 | GLY | 0 | 0.034 | 0.038 | 21.409 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 205 | LEU | 0 | -0.004 | -0.007 | 19.963 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 206 | GLY | 0 | 0.010 | 0.035 | 23.340 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 207 | SER | 0 | -0.016 | -0.030 | 25.547 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 208 | LEU | 0 | 0.024 | 0.006 | 25.035 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 209 | SER | 0 | -0.065 | -0.043 | 26.827 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 210 | TRP | 0 | -0.014 | 0.001 | 28.956 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 211 | ALA | 0 | 0.038 | 0.014 | 30.815 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 212 | GLY | 0 | -0.009 | -0.005 | 31.473 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 213 | HIS | 0 | -0.038 | -0.027 | 33.044 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 214 | GLN | 0 | 0.038 | -0.002 | 35.178 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 215 | VAL | 0 | -0.011 | -0.009 | 35.497 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 216 | HIS | 0 | -0.007 | -0.011 | 34.767 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 217 | VAL | 0 | -0.020 | 0.003 | 38.248 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 218 | SER | 0 | -0.040 | -0.035 | 39.504 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 219 | LEU | 0 | -0.002 | 0.010 | 39.367 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 220 | PRO | 0 | 0.026 | 0.018 | 42.257 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 221 | ILE | 0 | -0.004 | 0.021 | 43.794 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 222 | ASN | 0 | -0.050 | -0.065 | 43.889 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 223 | GLN | 0 | 0.016 | 0.027 | 46.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 224 | PHE | 0 | 0.031 | 0.004 | 48.690 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 225 | LEU | 0 | -0.026 | -0.025 | 47.932 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 226 | ASN | 0 | -0.068 | -0.037 | 48.512 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 227 | ALA | 0 | -0.032 | -0.006 | 52.121 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 228 | GLY | 0 | -0.029 | 0.004 | 54.414 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 229 | VAL | 0 | -0.023 | -0.019 | 53.433 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 230 | ASP | -1 | -0.838 | -0.919 | 54.600 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 231 | PRO | 0 | -0.014 | -0.030 | 51.360 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 232 | LYS | 1 | 0.799 | 0.902 | 51.810 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 233 | GLU | -1 | -0.973 | -0.973 | 54.148 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 234 | ILE | 0 | -0.024 | 0.004 | 49.263 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 235 | PRO | 0 | -0.003 | 0.005 | 48.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 236 | LEU | 0 | -0.005 | -0.017 | 45.498 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 237 | PRO | 0 | 0.023 | -0.004 | 41.001 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 238 | HIS | 0 | -0.003 | -0.007 | 41.342 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 239 | GLU | -1 | -0.875 | -0.933 | 42.327 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 240 | PHE | 0 | 0.036 | 0.018 | 42.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 241 | ILE | 0 | -0.034 | -0.014 | 37.496 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 242 | LEU | 0 | -0.076 | -0.033 | 40.965 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 243 | ASN | 0 | -0.011 | 0.008 | 43.270 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 244 | ARG | 1 | 0.867 | 0.920 | 41.039 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 245 | ASP | -1 | -0.880 | -0.947 | 45.246 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 246 | LEU | 0 | 0.032 | 0.013 | 47.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 247 | LEU | 0 | -0.013 | -0.002 | 41.271 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 248 | ALA | 0 | -0.053 | -0.019 | 45.692 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 249 | GLN | 0 | -0.053 | -0.025 | 47.041 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 250 | LEU | 0 | -0.055 | -0.011 | 46.716 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 251 | TYR | 0 | -0.005 | -0.024 | 43.733 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 252 | PRO | 0 | 0.040 | 0.033 | 45.391 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 253 | SER | 0 | -0.027 | -0.039 | 42.316 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 254 | PHE | 0 | 0.002 | -0.009 | 39.406 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 255 | ALA | 0 | -0.043 | -0.011 | 42.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 256 | GLU | -1 | -0.856 | -0.938 | 42.370 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 257 | GLY | 0 | 0.022 | 0.004 | 39.840 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 258 | ALA | 0 | 0.043 | 0.031 | 34.389 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 259 | THR | 0 | -0.011 | 0.000 | 35.648 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 260 | PRO | 0 | 0.020 | 0.023 | 37.423 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 261 | PHE | 0 | 0.015 | 0.026 | 28.833 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 262 | PHE | 0 | 0.029 | -0.002 | 29.055 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 263 | THR | 0 | -0.067 | -0.050 | 33.471 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 264 | LEU | 0 | -0.006 | 0.003 | 31.297 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 265 | ASN | 0 | -0.046 | -0.025 | 35.401 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 266 | TRP | 0 | -0.023 | -0.025 | 30.197 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 267 | SER | 0 | 0.017 | 0.022 | 37.906 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 268 | LYS | 1 | 0.893 | 0.945 | 41.209 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 269 | TYR | 0 | 0.000 | -0.030 | 35.295 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 270 | SER | 0 | -0.022 | -0.005 | 40.463 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 271 | GLU | -1 | -0.840 | -0.887 | 42.284 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 272 | PHE | 0 | -0.012 | -0.020 | 37.272 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 273 | LEU | 0 | -0.029 | -0.012 | 35.286 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 274 | THR | 0 | 0.004 | 0.019 | 39.036 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 275 | PHE | 0 | 0.005 | 0.004 | 37.101 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 276 | ARG | 1 | 0.885 | 0.963 | 41.282 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 277 | GLY | 0 | 0.089 | 0.041 | 43.373 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 278 | GLY | 0 | 0.041 | 0.036 | 44.228 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 279 | LEU | 0 | -0.054 | -0.046 | 45.403 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 280 | ASP | -1 | -0.835 | -0.930 | 47.224 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 281 | PRO | 0 | -0.022 | -0.019 | 48.967 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 282 | VAL | 0 | 0.002 | 0.016 | 51.126 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 283 | THR | 0 | -0.017 | -0.026 | 48.126 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 284 | GLY | 0 | 0.045 | 0.015 | 50.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 285 | GLY | 0 | -0.023 | -0.002 | 45.762 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 286 | LEU | 0 | -0.001 | -0.013 | 40.080 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 287 | TRP | 0 | 0.044 | 0.026 | 43.740 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 288 | LEU | 0 | 0.023 | 0.007 | 41.017 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 289 | THR | 0 | 0.003 | -0.016 | 39.776 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 290 | ASP | -1 | -0.917 | -0.947 | 39.161 | -0.551 | -0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 291 | ILE | 0 | -0.046 | -0.020 | 36.486 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 292 | ALA | 0 | 0.030 | 0.015 | 35.398 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 293 | HIS | 0 | -0.057 | -0.023 | 34.225 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 294 | HIS | 0 | 0.044 | 0.021 | 32.532 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 295 | HIS | 0 | -0.043 | -0.033 | 30.862 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 296 | LEU | 0 | 0.011 | 0.012 | 29.200 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 297 | ALA | 0 | 0.006 | -0.001 | 28.772 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 298 | ILE | 0 | -0.017 | -0.014 | 27.146 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 299 | ALA | 0 | 0.008 | 0.024 | 25.298 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 300 | ILE | 0 | -0.019 | -0.018 | 23.887 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 301 | LEU | 0 | 0.004 | 0.011 | 23.380 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 302 | PHE | 0 | -0.003 | -0.022 | 21.717 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 303 | LEU | 0 | 0.004 | 0.007 | 19.615 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 304 | ILE | 0 | -0.042 | -0.012 | 18.477 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 305 | ALA | 0 | 0.003 | 0.010 | 18.339 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 306 | GLY | 0 | -0.019 | -0.029 | 15.865 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 307 | HIS | 0 | -0.087 | -0.049 | 13.567 | -0.450 | -0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 308 | MET | 0 | -0.016 | 0.018 | 14.038 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 309 | TYR | 0 | 0.013 | 0.000 | 10.456 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 310 | ARG | 1 | 0.828 | 0.922 | 5.984 | 6.790 | 6.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 314 | GLY | 0 | 0.009 | -0.003 | 6.336 | -1.076 | -1.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 315 | ILE | 0 | 0.001 | 0.007 | 8.642 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 316 | GLY | 0 | 0.068 | 0.043 | 9.496 | -1.020 | -1.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 317 | HIS | 0 | -0.056 | -0.040 | 11.195 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 318 | GLY | 0 | 0.026 | 0.015 | 8.902 | -0.818 | -0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 319 | ILE | 0 | 0.012 | -0.009 | 9.651 | 0.889 | 0.889 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 320 | LYS | 1 | 0.851 | 0.922 | 10.679 | 1.607 | 1.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 321 | ASP | -1 | -0.889 | -0.924 | 10.982 | -3.070 | -3.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 322 | ILE | 0 | 0.043 | 0.020 | 12.942 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 323 | LEU | 0 | -0.038 | -0.017 | 15.292 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 324 | GLU | -1 | -0.895 | -0.978 | 14.657 | -0.889 | -0.889 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 325 | ALA | 0 | -0.012 | 0.001 | 17.440 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 326 | HIS | 0 | -0.014 | 0.010 | 19.045 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 327 | LYS | 1 | 0.841 | 0.926 | 21.448 | 0.948 | 0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 328 | GLY | 0 | 0.046 | 0.013 | 24.729 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 329 | PRO | 0 | -0.011 | -0.003 | 27.960 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 330 | PHE | 0 | 0.015 | 0.004 | 30.651 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 331 | THR | 0 | -0.011 | -0.013 | 28.319 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 332 | GLY | 0 | 0.077 | 0.045 | 25.862 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 333 | GLN | 0 | -0.077 | -0.063 | 24.614 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 334 | GLY | 0 | 0.001 | 0.006 | 24.124 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 335 | HIS | 0 | 0.054 | 0.022 | 20.264 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 336 | LYS | 1 | 0.936 | 0.970 | 17.869 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 337 | GLY | 0 | 0.033 | 0.024 | 17.576 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 338 | LEU | 0 | -0.031 | -0.020 | 18.481 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 339 | TYR | 0 | 0.011 | 0.002 | 8.247 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 340 | GLU | -1 | -0.783 | -0.877 | 13.680 | -0.979 | -0.979 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 341 | ILE | 0 | -0.019 | 0.015 | 15.555 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 342 | LEU | 0 | -0.032 | -0.017 | 16.656 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 343 | THR | 0 | -0.017 | -0.017 | 11.445 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 344 | THR | 0 | -0.078 | -0.059 | 14.591 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 345 | SER | 0 | -0.003 | -0.023 | 17.232 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 346 | TRP | 0 | 0.047 | 0.010 | 17.586 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 347 | HIS | 1 | 0.764 | 0.870 | 21.407 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 348 | ALA | 0 | 0.042 | 0.028 | 21.142 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 349 | GLN | 0 | 0.056 | 0.032 | 16.667 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 350 | LEU | 0 | -0.036 | -0.007 | 21.241 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 351 | SER | 0 | -0.078 | -0.044 | 24.431 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 352 | LEU | 0 | 0.036 | 0.016 | 20.998 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 353 | ASN | 0 | 0.013 | -0.010 | 20.354 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 354 | LEU | 0 | -0.031 | -0.003 | 24.520 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 355 | ALA | 0 | 0.021 | 0.013 | 27.965 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 356 | MET | 0 | -0.015 | 0.001 | 25.216 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 357 | LEU | 0 | 0.042 | 0.027 | 27.219 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 358 | GLY | 0 | 0.011 | 0.011 | 28.865 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 359 | SER | 0 | -0.012 | -0.024 | 31.006 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 360 | LEU | 0 | -0.011 | 0.002 | 28.218 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 361 | THR | 0 | -0.034 | -0.030 | 31.773 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 362 | ILE | 0 | 0.036 | 0.006 | 34.345 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 363 | ILE | 0 | -0.031 | -0.015 | 33.629 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 364 | VAL | 0 | 0.009 | 0.008 | 33.793 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 365 | ALA | 0 | -0.011 | -0.002 | 36.537 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 366 | HIS | 0 | 0.012 | -0.015 | 39.498 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 367 | HIS | 0 | 0.030 | 0.021 | 35.816 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 368 | MET | 0 | -0.039 | -0.011 | 38.739 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 369 | TYR | 0 | -0.011 | 0.000 | 41.303 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 370 | SER | 0 | 0.004 | -0.015 | 42.745 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 371 | MET | 0 | -0.033 | 0.002 | 39.334 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 372 | PRO | 0 | 0.018 | 0.021 | 41.857 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 373 | PRO | 0 | 0.020 | 0.010 | 39.261 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 374 | TYR | 0 | -0.024 | -0.020 | 37.853 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 375 | PRO | 0 | 0.026 | 0.022 | 43.255 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 376 | TYR | 0 | 0.038 | 0.006 | 46.647 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 377 | LEU | 0 | -0.054 | -0.016 | 43.580 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 378 | ALA | 0 | 0.019 | 0.001 | 47.615 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 379 | THR | 0 | 0.031 | 0.012 | 49.575 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 380 | ASP | -1 | -0.770 | -0.852 | 50.252 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 381 | TYR | 0 | 0.008 | -0.027 | 50.562 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 382 | ALA | 0 | 0.038 | 0.015 | 51.178 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 383 | THR | 0 | -0.016 | -0.018 | 45.912 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 384 | GLN | 0 | -0.043 | -0.004 | 45.920 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 385 | LEU | 0 | -0.014 | 0.003 | 46.532 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 386 | SER | 0 | 0.000 | -0.001 | 46.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 387 | LEU | 0 | -0.017 | -0.007 | 41.219 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 388 | PHE | 0 | 0.025 | 0.014 | 41.906 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 389 | THR | 0 | -0.010 | -0.030 | 42.628 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 390 | HIS | 0 | -0.044 | -0.024 | 37.829 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 391 | HIS | 0 | 0.016 | 0.009 | 37.445 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 392 | MET | 0 | 0.007 | 0.023 | 38.125 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 393 | TRP | 0 | 0.014 | 0.005 | 39.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 394 | ILE | 0 | -0.016 | 0.000 | 34.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 395 | GLY | 0 | 0.037 | 0.016 | 34.888 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 396 | GLY | 0 | 0.034 | 0.008 | 35.344 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 397 | PHE | 0 | -0.002 | -0.022 | 36.619 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 398 | LEU | 0 | -0.027 | -0.001 | 30.940 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 399 | ILE | 0 | 0.024 | 0.014 | 32.224 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 400 | VAL | 0 | -0.018 | -0.011 | 33.768 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 401 | GLY | 0 | 0.014 | -0.003 | 32.807 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 402 | ALA | 0 | -0.013 | -0.009 | 29.552 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 403 | ALA | 0 | 0.019 | 0.009 | 30.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 404 | ALA | 0 | 0.003 | 0.001 | 32.518 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 405 | HIS | 0 | 0.047 | 0.031 | 27.237 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 406 | ALA | 0 | 0.056 | 0.029 | 27.903 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 407 | ALA | 0 | 0.002 | -0.007 | 28.954 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 408 | ILE | 0 | -0.041 | -0.020 | 28.250 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 409 | PHE | 0 | 0.011 | 0.000 | 23.130 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 410 | MET | 0 | -0.038 | -0.006 | 26.940 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 411 | VAL | 0 | -0.035 | -0.015 | 29.409 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 412 | ARG | 1 | 0.772 | 0.846 | 27.686 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 413 | ASP | -1 | -0.813 | -0.878 | 23.156 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 414 | TYR | 0 | -0.012 | -0.012 | 23.896 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 415 | ASP | -1 | -0.782 | -0.889 | 24.515 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 416 | PRO | 0 | -0.034 | -0.032 | 24.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 417 | THR | 0 | -0.025 | -0.004 | 26.251 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 418 | ASN | 0 | -0.076 | -0.041 | 21.588 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 419 | ARG | 1 | 0.862 | 0.918 | 17.702 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 420 | TYR | 0 | -0.010 | 0.004 | 21.625 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 421 | ASN | 0 | 0.059 | 0.013 | 22.008 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 422 | ASP | -1 | -0.745 | -0.846 | 23.782 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 423 | LEU | 0 | -0.035 | -0.006 | 23.838 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 424 | LEU | 0 | 0.011 | 0.008 | 25.539 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 425 | ASP | -1 | -0.780 | -0.879 | 27.773 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 426 | ARG | 1 | 0.840 | 0.898 | 29.479 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 427 | VAL | 0 | -0.003 | 0.015 | 30.479 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 428 | LEU | 0 | -0.018 | -0.015 | 30.034 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 429 | ARG | 1 | 0.843 | 0.916 | 31.602 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 430 | HIS | 0 | -0.039 | -0.033 | 34.062 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 431 | ARG | 1 | 0.893 | 0.941 | 36.142 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 432 | ASP | -1 | -0.800 | -0.887 | 37.793 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 433 | ALA | 0 | 0.014 | 0.028 | 40.523 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 434 | ILE | 0 | 0.009 | 0.025 | 35.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 435 | ILE | 0 | -0.002 | -0.011 | 38.350 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 436 | SER | 0 | -0.014 | -0.016 | 41.544 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 437 | HIS | 0 | -0.044 | -0.035 | 42.529 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 438 | LEU | 0 | 0.007 | 0.021 | 39.196 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 439 | ASN | 0 | 0.002 | -0.007 | 43.054 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 440 | TRP | 0 | 0.042 | 0.022 | 46.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 441 | VAL | 0 | 0.023 | 0.009 | 43.605 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 442 | CYS | 0 | -0.050 | -0.007 | 44.626 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 443 | ILE | 0 | -0.001 | 0.000 | 47.385 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 444 | PHE | 0 | -0.015 | 0.002 | 49.452 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 445 | LEU | 0 | 0.033 | 0.014 | 45.674 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 446 | GLY | 0 | 0.019 | 0.035 | 50.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 447 | PHE | 0 | -0.016 | -0.025 | 52.240 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 448 | HIS | 0 | -0.069 | -0.043 | 53.042 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 449 | SER | 0 | 0.020 | -0.016 | 51.849 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 450 | PHE | 0 | 0.003 | 0.004 | 53.964 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 451 | GLY | 0 | 0.009 | 0.005 | 55.760 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 452 | LEU | 0 | -0.008 | 0.001 | 56.016 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 453 | TYR | 0 | -0.025 | -0.021 | 54.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 454 | ILE | 0 | 0.000 | 0.004 | 59.603 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 455 | HIS | 0 | -0.033 | -0.005 | 61.894 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 456 | ASN | 0 | 0.010 | 0.003 | 61.246 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 457 | ASP | -1 | -0.773 | -0.888 | 62.954 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 458 | THR | 0 | -0.047 | -0.035 | 65.431 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 459 | MET | 0 | -0.044 | -0.021 | 67.343 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 460 | SER | 0 | -0.018 | -0.009 | 67.615 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 461 | ALA | 0 | -0.028 | -0.011 | 69.491 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 462 | LEU | 0 | -0.068 | -0.034 | 71.409 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 463 | GLY | 0 | 0.001 | 0.011 | 73.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 464 | ARG | 1 | 0.786 | 0.876 | 71.909 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 465 | PRO | 0 | 0.053 | 0.020 | 69.642 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 466 | GLN | 0 | 0.028 | 0.001 | 68.805 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 467 | ASP | -1 | -0.794 | -0.885 | 68.930 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 468 | MET | 0 | -0.062 | -0.004 | 64.782 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 469 | PHE | 0 | 0.012 | -0.004 | 60.290 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 470 | SER | 0 | 0.027 | -0.001 | 61.589 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 471 | ASP | -1 | -0.744 | -0.852 | 60.456 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 472 | THR | 0 | -0.036 | -0.008 | 63.164 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 473 | ALA | 0 | -0.038 | -0.009 | 65.591 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 474 | ILE | 0 | -0.017 | 0.004 | 62.661 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 475 | GLN | 0 | -0.021 | -0.005 | 61.081 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 476 | LEU | 0 | -0.024 | -0.015 | 56.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 477 | GLN | 0 | 0.054 | 0.004 | 56.405 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 478 | PRO | 0 | -0.009 | 0.014 | 51.276 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 479 | VAL | 0 | 0.015 | 0.004 | 51.909 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 480 | PHE | 0 | -0.013 | -0.017 | 47.530 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 481 | ALA | 0 | 0.009 | 0.010 | 47.785 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 482 | GLN | 0 | 0.019 | -0.006 | 48.801 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 483 | TRP | 0 | -0.014 | 0.001 | 45.356 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 484 | ILE | 0 | 0.003 | 0.006 | 43.855 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 485 | GLN | 0 | -0.061 | -0.023 | 47.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 486 | ASN | 0 | 0.010 | -0.010 | 49.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 487 | THR | 0 | -0.049 | -0.030 | 47.151 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 488 | HIS | 0 | -0.039 | -0.033 | 42.263 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 489 | ALA | 0 | 0.029 | 0.016 | 46.897 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 490 | LEU | 0 | -0.028 | -0.017 | 49.964 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 491 | ALA | 0 | -0.003 | 0.013 | 44.684 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 492 | PRO | 0 | 0.011 | 0.014 | 45.853 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 493 | GLY | 0 | -0.013 | 0.002 | 46.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 494 | VAL | 0 | -0.078 | -0.047 | 48.043 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 495 | THR | 0 | -0.025 | -0.018 | 43.245 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 496 | ALA | 0 | -0.017 | -0.001 | 42.198 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 497 | PRO | 0 | 0.023 | 0.016 | 43.296 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 498 | GLY | 0 | -0.040 | -0.014 | 42.424 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 499 | GLU | -1 | -0.881 | -0.931 | 41.932 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 500 | THR | 0 | -0.051 | -0.037 | 44.650 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 501 | ALA | 0 | 0.004 | 0.004 | 47.164 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 502 | SER | 0 | 0.031 | 0.017 | 46.025 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 503 | THR | 0 | -0.035 | -0.041 | 40.167 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 504 | SER | 0 | -0.029 | -0.027 | 43.415 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 505 | LEU | 0 | 0.086 | 0.052 | 45.787 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 506 | THR | 0 | -0.101 | -0.063 | 46.614 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 507 | TRP | 0 | -0.018 | -0.005 | 43.157 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 508 | GLY | 0 | 0.045 | 0.004 | 49.834 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 509 | GLY | 0 | 0.059 | 0.027 | 52.737 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 510 | GLY | 0 | -0.059 | -0.022 | 55.244 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 511 | GLU | -1 | -0.926 | -0.962 | 51.457 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 512 | LEU | 0 | 0.010 | -0.019 | 55.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 513 | VAL | 0 | -0.028 | 0.000 | 50.655 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 514 | ALA | 0 | 0.015 | 0.019 | 53.743 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 515 | VAL | 0 | -0.009 | 0.007 | 52.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 516 | GLY | 0 | 0.009 | -0.001 | 56.013 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 517 | GLY | 0 | 0.007 | 0.010 | 59.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 518 | LYS | 1 | 0.762 | 0.858 | 55.822 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 519 | VAL | 0 | -0.011 | 0.006 | 55.710 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 520 | ALA | 0 | -0.009 | -0.009 | 51.728 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 521 | LEU | 0 | -0.030 | -0.021 | 48.313 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 522 | LEU | 0 | 0.047 | 0.043 | 51.706 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 523 | PRO | 0 | -0.013 | -0.003 | 52.332 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 524 | ILE | 0 | -0.012 | 0.005 | 49.271 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 525 | PRO | 0 | 0.036 | 0.040 | 52.784 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 526 | LEU | 0 | -0.016 | -0.006 | 49.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 527 | GLY | 0 | 0.063 | 0.041 | 54.061 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 528 | THR | 0 | -0.042 | -0.053 | 55.633 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 529 | ALA | 0 | 0.002 | 0.003 | 56.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 530 | ASP | -1 | -0.781 | -0.891 | 52.035 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 531 | PHE | 0 | 0.021 | 0.006 | 51.861 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 532 | LEU | 0 | 0.022 | 0.013 | 52.147 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 533 | VAL | 0 | 0.017 | 0.015 | 50.839 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 534 | HIS | 0 | 0.041 | 0.022 | 46.768 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 535 | HIS | 0 | -0.043 | -0.017 | 47.574 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 536 | ILE | 0 | 0.012 | 0.019 | 49.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 537 | HIS | 0 | -0.015 | -0.001 | 45.126 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 538 | ALA | 0 | 0.035 | 0.022 | 44.178 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 539 | PHE | 0 | 0.007 | 0.014 | 44.542 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 540 | THR | 0 | -0.024 | -0.027 | 45.782 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 541 | ILE | 0 | 0.031 | 0.030 | 39.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 542 | HIS | 0 | -0.027 | -0.026 | 41.067 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 543 | VAL | 0 | 0.017 | -0.003 | 42.083 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 544 | THR | 0 | -0.022 | -0.022 | 39.137 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 545 | VAL | 0 | 0.000 | -0.008 | 36.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 546 | LEU | 0 | -0.021 | -0.014 | 38.462 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 547 | ILE | 0 | -0.024 | -0.009 | 40.555 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 548 | LEU | 0 | 0.017 | 0.013 | 36.022 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 549 | LEU | 0 | -0.007 | 0.001 | 33.727 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 550 | LYS | 1 | 0.906 | 0.956 | 36.229 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 551 | GLY | 0 | 0.034 | -0.009 | 37.508 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 552 | VAL | 0 | -0.035 | -0.016 | 31.178 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 553 | LEU | 0 | 0.007 | 0.002 | 32.765 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 554 | PHE | 0 | -0.070 | -0.030 | 34.979 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 555 | ALA | 0 | -0.004 | 0.014 | 33.599 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 556 | ARG | 1 | 0.868 | 0.935 | 30.395 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 557 | SER | 0 | 0.035 | 0.011 | 35.394 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 558 | SER | 0 | -0.022 | -0.017 | 38.546 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 559 | ARG | 1 | 0.883 | 0.913 | 41.642 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 560 | LEU | 0 | -0.018 | 0.016 | 44.711 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 561 | ILE | 0 | 0.048 | 0.010 | 42.193 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 562 | PRO | 0 | 0.010 | 0.007 | 41.036 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 563 | ASP | -1 | -0.853 | -0.920 | 39.221 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 564 | LYS | 1 | 0.843 | 0.922 | 38.539 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 565 | ALA | 0 | 0.001 | -0.006 | 33.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 566 | ASN | 0 | -0.038 | -0.020 | 35.219 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 567 | LEU | 0 | -0.002 | 0.019 | 37.416 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 568 | GLY | 0 | 0.013 | 0.014 | 35.551 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 569 | PHE | 0 | 0.009 | -0.012 | 33.423 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 570 | ARG | 1 | 0.814 | 0.875 | 35.551 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 571 | PHE | 0 | 0.027 | 0.021 | 38.229 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 572 | PRO | 0 | -0.006 | -0.009 | 41.458 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 573 | CYS | 0 | -0.042 | 0.006 | 44.880 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 574 | ASP | -1 | -0.784 | -0.880 | 45.340 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 575 | GLY | 0 | 0.036 | 0.012 | 47.161 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 576 | PRO | 0 | 0.013 | 0.001 | 50.834 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 577 | GLY | 0 | 0.034 | 0.025 | 52.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 578 | ARG | 1 | 0.790 | 0.847 | 46.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 579 | GLY | 0 | 0.005 | 0.018 | 52.884 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 580 | GLY | 0 | 0.040 | 0.024 | 52.555 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 581 | THR | 0 | -0.056 | -0.038 | 47.029 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 582 | CYS | -1 | -0.843 | -0.919 | 47.152 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 583 | GLN | 0 | 0.005 | -0.007 | 45.653 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 584 | VAL | 0 | 0.012 | 0.013 | 43.167 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 585 | SER | 0 | -0.020 | -0.005 | 39.656 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 586 | ALA | 0 | 0.043 | 0.010 | 35.851 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 587 | TRP | 0 | 0.027 | 0.013 | 36.918 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 588 | ASP | -1 | -0.757 | -0.857 | 38.414 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 589 | HIS | 0 | -0.013 | 0.008 | 39.042 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 590 | VAL | 0 | 0.010 | 0.003 | 35.804 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 591 | PHE | 0 | -0.043 | -0.016 | 38.694 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 592 | LEU | 0 | 0.026 | -0.002 | 41.871 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 593 | GLY | 0 | 0.000 | -0.007 | 40.455 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 594 | LEU | 0 | 0.003 | 0.010 | 39.070 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 595 | PHE | 0 | 0.015 | 0.009 | 42.049 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 596 | TRP | 0 | -0.006 | -0.003 | 43.934 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 597 | MET | 0 | -0.014 | 0.023 | 39.439 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 598 | TYR | 0 | 0.043 | 0.014 | 42.416 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 599 | ASN | 0 | -0.017 | 0.005 | 45.381 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 600 | ALA | 0 | 0.008 | -0.001 | 43.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 601 | ILE | 0 | 0.001 | -0.005 | 40.405 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 602 | SER | 0 | -0.021 | -0.026 | 44.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 603 | VAL | 0 | 0.043 | 0.021 | 47.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 604 | VAL | 0 | -0.014 | -0.003 | 43.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 605 | ILE | 0 | -0.001 | 0.000 | 45.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 606 | PHE | 0 | -0.018 | -0.001 | 48.047 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 607 | HIS | 1 | 0.822 | 0.921 | 48.700 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 608 | PHE | 0 | 0.002 | -0.002 | 47.585 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 609 | SER | 0 | 0.015 | -0.004 | 49.730 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 610 | TRP | 0 | -0.034 | -0.021 | 52.139 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 611 | LYS | 1 | 0.779 | 0.886 | 52.056 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 612 | MET | 0 | 0.007 | 0.014 | 49.465 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 613 | GLN | 0 | 0.037 | 0.026 | 53.540 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 614 | SER | 0 | -0.067 | -0.037 | 56.800 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 615 | ASP | -1 | -0.747 | -0.860 | 55.700 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 616 | VAL | 0 | -0.045 | -0.018 | 52.106 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 617 | TRP | 0 | 0.003 | -0.014 | 49.787 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 618 | GLY | 0 | 0.055 | 0.018 | 56.388 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 619 | SER | 0 | 0.009 | 0.026 | 59.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 620 | ILE | 0 | -0.003 | 0.004 | 60.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 621 | SER | 0 | -0.033 | -0.028 | 62.646 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 622 | ASP | -1 | -0.880 | -0.952 | 65.924 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 623 | GLN | 0 | -0.072 | -0.040 | 67.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 624 | GLY | 0 | 0.007 | 0.014 | 64.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 625 | VAL | 0 | -0.021 | 0.001 | 64.721 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 626 | VAL | 0 | 0.025 | 0.015 | 60.118 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 627 | THR | 0 | -0.041 | -0.015 | 63.419 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 628 | HIS | 0 | -0.029 | -0.016 | 58.578 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 629 | ILE | 0 | -0.034 | -0.017 | 57.313 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 630 | THR | 0 | -0.073 | -0.056 | 59.962 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 631 | GLY | 0 | 0.000 | 0.013 | 62.442 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 632 | GLY | 0 | 0.031 | 0.014 | 60.959 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 633 | ASN | 0 | 0.020 | 0.004 | 61.646 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 634 | PHE | 0 | 0.070 | 0.029 | 54.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 635 | ALA | 0 | 0.028 | 0.022 | 59.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 636 | GLN | 0 | -0.010 | -0.013 | 60.651 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 637 | SER | 0 | -0.031 | -0.036 | 62.565 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 638 | SER | 0 | -0.033 | -0.028 | 57.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 639 | ILE | 0 | 0.041 | 0.028 | 57.881 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 640 | THR | 0 | -0.019 | -0.012 | 60.144 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 641 | ILE | 0 | -0.029 | -0.020 | 57.512 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 642 | ASN | 0 | 0.017 | 0.000 | 60.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 643 | GLY | 0 | 0.036 | 0.021 | 62.726 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 644 | TRP | 0 | 0.001 | -0.017 | 53.589 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 645 | LEU | 0 | -0.020 | -0.005 | 59.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 646 | ARG | 1 | 0.836 | 0.916 | 61.816 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 647 | ASP | -1 | -0.769 | -0.870 | 62.749 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 648 | PHE | 0 | -0.027 | 0.000 | 53.962 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 649 | LEU | 0 | -0.022 | -0.015 | 56.204 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 650 | TRP | 0 | -0.027 | -0.014 | 59.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 651 | ALA | 0 | 0.018 | 0.016 | 63.379 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 652 | GLN | 0 | -0.027 | -0.008 | 56.423 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 653 | ALA | 0 | -0.021 | -0.006 | 60.159 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 654 | SER | 0 | -0.003 | -0.013 | 61.337 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 655 | GLN | 0 | 0.049 | 0.034 | 60.884 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 656 | VAL | 0 | -0.022 | 0.000 | 58.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 657 | ILE | 0 | -0.054 | -0.029 | 61.096 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 658 | GLN | 0 | -0.053 | -0.022 | 64.570 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 659 | SER | 0 | 0.021 | 0.022 | 61.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 660 | TYR | 0 | -0.054 | -0.045 | 62.612 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 661 | GLY | 0 | 0.066 | 0.027 | 64.958 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 662 | SER | 0 | -0.015 | -0.018 | 64.109 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 663 | SER | 0 | -0.028 | -0.009 | 58.694 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 664 | LEU | 0 | 0.043 | 0.026 | 57.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 665 | SER | 0 | 0.001 | 0.016 | 59.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 666 | ALA | 0 | 0.044 | 0.026 | 55.999 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 667 | TYR | 0 | 0.006 | 0.011 | 52.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 668 | GLY | 0 | 0.056 | 0.025 | 56.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 669 | LEU | 0 | -0.034 | -0.022 | 58.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 670 | PHE | 0 | -0.014 | -0.018 | 50.939 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 671 | PHE | 0 | 0.026 | 0.020 | 55.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 672 | LEU | 0 | 0.025 | 0.018 | 57.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 673 | GLY | 0 | 0.012 | 0.004 | 56.720 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 674 | ALA | 0 | -0.034 | -0.009 | 52.652 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 675 | HIS | 0 | 0.011 | 0.002 | 54.340 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 676 | PHE | 0 | -0.034 | -0.009 | 56.639 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 677 | VAL | 0 | -0.010 | -0.012 | 50.942 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 678 | TRP | 0 | 0.016 | 0.014 | 51.610 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 679 | ALA | 0 | 0.017 | 0.025 | 53.648 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 680 | PHE | 0 | -0.038 | -0.020 | 53.543 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 681 | SER | 0 | -0.045 | -0.051 | 50.795 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 682 | LEU | 0 | 0.007 | 0.003 | 52.664 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 683 | MET | 0 | -0.021 | 0.015 | 55.040 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 684 | PHE | 0 | -0.037 | -0.014 | 51.061 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 685 | LEU | 0 | -0.051 | -0.023 | 48.419 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 686 | PHE | 0 | -0.009 | -0.003 | 52.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 687 | SER | 0 | -0.021 | 0.000 | 54.596 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 688 | GLY | 0 | 0.033 | 0.013 | 53.630 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 689 | ARG | 1 | 0.787 | 0.880 | 50.435 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 690 | GLY | 0 | 0.022 | 0.013 | 53.918 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 691 | TYR | 0 | 0.116 | 0.063 | 57.137 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 692 | TRP | 0 | 0.022 | -0.003 | 55.854 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 693 | GLN | 0 | -0.035 | -0.020 | 54.600 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 694 | GLU | -1 | -0.854 | -0.923 | 57.466 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 695 | LEU | 0 | 0.003 | 0.015 | 60.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 696 | ILE | 0 | -0.022 | -0.018 | 55.615 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 697 | GLU | -1 | -0.956 | -0.977 | 59.751 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 698 | SER | 0 | -0.003 | -0.011 | 61.451 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 699 | ILE | 0 | -0.015 | -0.007 | 61.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 700 | VAL | 0 | -0.002 | 0.003 | 59.081 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 701 | TRP | 0 | -0.001 | 0.008 | 62.332 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 702 | ALA | 0 | 0.011 | -0.003 | 65.871 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 703 | HIS | 0 | -0.048 | -0.028 | 61.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 704 | ASN | 0 | -0.006 | -0.019 | 62.597 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 705 | LYS | 1 | 0.893 | 0.958 | 65.536 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 706 | LEU | 0 | 0.007 | 0.003 | 67.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 707 | LYS | 1 | 0.901 | 0.952 | 66.060 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 708 | VAL | 0 | 0.013 | 0.026 | 62.168 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 709 | ALA | 0 | 0.029 | 0.008 | 61.247 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 710 | PRO | 0 | -0.030 | -0.005 | 55.795 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 711 | ALA | 0 | 0.038 | 0.010 | 54.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 712 | THR | 0 | 0.000 | -0.001 | 50.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 713 | GLN | 0 | 0.014 | 0.012 | 52.490 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 714 | PRO | 0 | 0.034 | 0.015 | 52.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 715 | ARG | 1 | 0.834 | 0.916 | 51.163 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 716 | ALA | 0 | 0.051 | 0.034 | 52.464 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 717 | LEU | 0 | 0.047 | 0.020 | 48.707 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 718 | SER | 0 | 0.030 | 0.011 | 45.083 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 719 | ILE | 0 | 0.013 | 0.001 | 47.412 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 720 | ILE | 0 | 0.019 | 0.016 | 40.975 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 721 | GLN | 0 | 0.049 | 0.020 | 44.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 722 | GLY | 0 | 0.011 | 0.010 | 45.212 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 723 | ARG | 1 | 0.802 | 0.884 | 45.257 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 716 | A | 724 | ALA | 0 | 0.016 | 0.008 | 42.389 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 717 | A | 725 | VAL | 0 | -0.006 | 0.012 | 44.085 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 718 | A | 726 | GLY | 0 | 0.074 | 0.038 | 46.844 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 719 | A | 727 | VAL | 0 | 0.020 | 0.001 | 43.157 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 720 | A | 728 | THR | 0 | -0.038 | -0.027 | 43.692 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 721 | A | 729 | HIS | 0 | -0.042 | -0.031 | 45.301 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 722 | A | 730 | TYR | 0 | 0.029 | 0.016 | 48.141 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 723 | A | 731 | LEU | 0 | -0.024 | -0.013 | 42.497 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 724 | A | 732 | LEU | 0 | 0.008 | 0.011 | 46.462 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 725 | A | 733 | GLY | 0 | 0.043 | 0.011 | 47.639 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 726 | A | 734 | GLY | 0 | 0.049 | 0.024 | 50.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 727 | A | 735 | ILE | 0 | -0.038 | -0.013 | 43.900 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 728 | A | 736 | ALA | 0 | 0.008 | 0.007 | 48.156 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 729 | A | 737 | THR | 0 | -0.011 | -0.014 | 50.168 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 730 | A | 738 | THR | 0 | -0.026 | -0.028 | 49.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 731 | A | 739 | TRP | 0 | 0.004 | 0.002 | 47.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 732 | A | 740 | ALA | 0 | -0.007 | 0.001 | 50.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 733 | A | 741 | PHE | 0 | -0.009 | -0.014 | 53.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 734 | A | 742 | PHE | 0 | -0.003 | -0.014 | 48.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 735 | A | 743 | LEU | 0 | 0.000 | 0.003 | 49.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 736 | A | 744 | ALA | 0 | 0.004 | -0.003 | 53.687 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 737 | A | 745 | ARG | 1 | 0.823 | 0.900 | 56.496 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 738 | A | 746 | ILE | 0 | -0.020 | -0.009 | 52.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 739 | A | 747 | ILE | 0 | 0.021 | 0.013 | 53.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 740 | A | 748 | ALA | 0 | -0.050 | -0.019 | 56.929 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 741 | A | 749 | VAL | 0 | -0.082 | -0.041 | 58.455 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 742 | A | 750 | GLY | -1 | -0.867 | -0.915 | 55.628 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |