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: MZ2MZ
Calculation Name: 2IV2-X-Xray547
Preferred Name:
Target Type:
Ligand Name: 2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide | guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester | iron/sulfur cluster | selenocysteine | molybdenum atom | unknown atom or ion
Ligand 3-letter code: MGD | 2MD | SF4 | SEC | MO | UNX
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2IV2
Chain ID: X
UniProt ID: P07658
Base Structure: X-ray
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 | 697 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17685286.83655 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17410110.466658 |
| FMO2-HF: Total energy | -275176.369892 |
| FMO2-MP2: Total energy | -275969.498646 |
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(X:1:MET)
Summations of interaction energy for
fragment #1(X:1:MET)
| 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. |
| -170.671 | -162.965 | 17.35 | -11.427 | -13.63 | -0.125 |
Interaction energy analysis for fragmet #1(X:1:MET)
| 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 | X | 3 | LYS | 1 | 0.876 | 0.917 | 3.849 | 31.205 | 32.955 | -0.006 | -0.745 | -1.000 | 0.000 |
| 20 | X | 20 | VAL | 0 | -0.019 | -0.010 | 2.848 | -4.013 | -3.373 | 0.893 | -0.230 | -1.303 | -0.001 |
| 21 | X | 21 | VAL | 0 | 0.000 | 0.000 | 3.706 | 2.500 | 3.126 | 0.003 | -0.214 | -0.415 | -0.001 |
| 22 | X | 22 | ASP | -1 | -0.829 | -0.935 | 1.844 | -139.747 | -135.736 | 16.257 | -10.277 | -9.991 | -0.123 |
| 23 | X | 23 | ASN | 0 | -0.031 | -0.017 | 3.160 | 15.573 | 15.564 | 0.070 | 0.207 | -0.268 | -0.001 |
| 27 | X | 27 | VAL | 0 | -0.052 | -0.020 | 3.781 | 0.640 | 1.328 | 0.133 | -0.168 | -0.653 | 0.001 |
| 4 | X | 4 | VAL | 0 | -0.001 | 0.002 | 6.230 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | X | 5 | VAL | 0 | 0.055 | 0.046 | 9.651 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | X | 6 | THR | 0 | 0.039 | 0.012 | 12.813 | 1.082 | 1.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | X | 7 | VAL | 0 | 0.041 | 0.025 | 15.197 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | X | 8 | CYS | 0 | -0.018 | -0.007 | 18.151 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | X | 9 | PRO | 0 | 0.025 | 0.036 | 17.846 | 0.753 | 0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | X | 10 | TYR | 0 | -0.016 | -0.030 | 19.022 | 0.885 | 0.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | X | 11 | CYS | 0 | -0.005 | 0.035 | 23.437 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | X | 12 | ALA | 0 | 0.020 | 0.019 | 24.850 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | X | 13 | SER | 0 | 0.013 | -0.031 | 24.402 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | X | 14 | GLY | 0 | 0.017 | 0.027 | 23.193 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | X | 15 | CYS | 0 | -0.026 | 0.006 | 19.380 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | X | 16 | LYS | 1 | 0.860 | 0.941 | 16.324 | 15.216 | 15.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | X | 17 | ILE | 0 | -0.037 | -0.015 | 12.142 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | X | 18 | ASN | 0 | -0.015 | -0.008 | 8.511 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | X | 19 | LEU | 0 | 0.018 | 0.001 | 8.711 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | X | 24 | GLY | 0 | 0.021 | 0.017 | 5.821 | 5.982 | 5.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | X | 25 | LYS | 1 | 0.965 | 0.993 | 6.765 | 33.013 | 33.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | X | 26 | ILE | 0 | 0.034 | 0.012 | 6.346 | -5.439 | -5.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | X | 28 | ARG | 1 | 0.863 | 0.908 | 4.889 | 30.409 | 30.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | X | 29 | ALA | 0 | 0.030 | 0.038 | 7.907 | -2.053 | -2.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | X | 30 | GLU | -1 | -0.770 | -0.862 | 7.592 | -27.216 | -27.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | X | 31 | ALA | 0 | -0.004 | 0.014 | 11.042 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | X | 32 | ALA | 0 | 0.014 | 0.017 | 13.038 | -0.772 | -0.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | X | 33 | GLN | 0 | 0.023 | -0.006 | 14.236 | 1.462 | 1.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | X | 34 | GLY | 0 | 0.051 | 0.020 | 17.367 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | X | 35 | LYS | 1 | 0.979 | 1.002 | 19.543 | 11.235 | 11.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | X | 36 | THR | 0 | 0.019 | 0.023 | 23.166 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | X | 37 | ASN | 0 | 0.040 | 0.008 | 17.371 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | X | 38 | GLN | 0 | -0.041 | 0.002 | 20.032 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | X | 39 | GLY | 0 | 0.034 | 0.025 | 16.084 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | X | 40 | THR | 0 | -0.056 | -0.045 | 16.640 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | X | 41 | LEU | 0 | -0.041 | -0.039 | 14.656 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | X | 42 | CYS | -1 | -0.794 | -0.788 | 18.599 | -12.550 | -12.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | X | 43 | LEU | 0 | 0.079 | 0.023 | 18.782 | -0.786 | -0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | X | 44 | LYS | 1 | 0.792 | 0.817 | 18.879 | 11.199 | 11.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | X | 45 | GLY | 0 | 0.016 | -0.012 | 17.631 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | X | 46 | TYR | 0 | -0.042 | -0.021 | 11.687 | -1.186 | -1.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | X | 47 | TYR | 0 | 0.036 | -0.003 | 13.880 | -0.971 | -0.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | X | 48 | GLY | 0 | 0.036 | 0.014 | 16.090 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | X | 49 | TRP | 0 | 0.015 | -0.005 | 10.655 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | X | 50 | ASP | -1 | -0.813 | -0.909 | 14.168 | -17.673 | -17.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | X | 51 | PHE | 0 | 0.002 | -0.006 | 15.131 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | X | 52 | ILE | 0 | -0.033 | -0.008 | 13.699 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | X | 53 | ASN | 0 | -0.059 | -0.046 | 12.330 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | X | 54 | ASP | -1 | -0.794 | -0.873 | 16.045 | -12.991 | -12.991 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | X | 55 | THR | 0 | 0.000 | -0.018 | 18.064 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | X | 56 | GLN | 0 | -0.049 | -0.018 | 20.526 | 0.986 | 0.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | X | 57 | ILE | 0 | -0.004 | 0.013 | 20.996 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | X | 58 | LEU | 0 | -0.027 | 0.004 | 25.100 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | X | 59 | THR | 0 | -0.004 | -0.030 | 26.127 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | X | 60 | PRO | 0 | 0.028 | 0.019 | 24.852 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | X | 61 | ARG | 1 | 0.773 | 0.870 | 18.392 | 15.277 | 15.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | X | 62 | LEU | 0 | -0.013 | 0.003 | 23.783 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | X | 63 | LYS | 1 | 0.787 | 0.878 | 22.597 | 12.308 | 12.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | X | 64 | THR | 0 | 0.032 | 0.012 | 25.194 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | X | 65 | PRO | 0 | -0.006 | -0.002 | 28.227 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | X | 66 | MET | 0 | -0.019 | 0.008 | 31.198 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | X | 67 | ILE | 0 | -0.002 | -0.004 | 34.241 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | X | 68 | ARG | 1 | 0.805 | 0.913 | 38.014 | 7.848 | 7.848 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | X | 69 | ARG | 1 | 0.835 | 0.900 | 40.811 | 7.710 | 7.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | X | 70 | GLN | 0 | -0.017 | 0.000 | 43.574 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | X | 71 | ARG | 1 | 0.852 | 0.871 | 44.535 | 6.857 | 6.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | X | 72 | GLY | 0 | -0.002 | 0.008 | 45.316 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | X | 73 | GLY | 0 | -0.029 | -0.012 | 44.106 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | X | 74 | LYS | 1 | 0.960 | 0.979 | 39.258 | 7.683 | 7.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | X | 75 | LEU | 0 | -0.019 | -0.009 | 35.525 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | X | 76 | GLU | -1 | -0.866 | -0.938 | 36.741 | -8.160 | -8.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | X | 77 | PRO | 0 | -0.008 | 0.005 | 32.405 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | X | 78 | VAL | 0 | -0.024 | -0.011 | 33.344 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | X | 79 | SER | 0 | 0.021 | 0.005 | 32.082 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | X | 80 | TRP | 0 | 0.012 | -0.027 | 26.360 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | X | 81 | ASP | -1 | -0.850 | -0.900 | 32.034 | -8.525 | -8.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | X | 82 | GLU | -1 | -0.812 | -0.893 | 35.153 | -7.961 | -7.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | X | 83 | ALA | 0 | 0.015 | -0.001 | 33.812 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | X | 84 | LEU | 0 | -0.011 | -0.007 | 31.288 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | X | 85 | ASN | 0 | -0.048 | -0.023 | 35.843 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | X | 86 | TYR | 0 | -0.017 | -0.005 | 39.083 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | X | 87 | VAL | 0 | 0.015 | -0.004 | 36.563 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | X | 88 | ALA | 0 | 0.044 | 0.025 | 39.252 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | X | 89 | GLU | -1 | -0.872 | -0.919 | 40.806 | -6.931 | -6.931 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | X | 90 | ARG | 1 | 0.863 | 0.939 | 42.909 | 7.353 | 7.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | X | 91 | LEU | 0 | 0.025 | 0.006 | 39.459 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | X | 92 | SER | 0 | -0.002 | -0.015 | 43.923 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | X | 93 | ALA | 0 | -0.009 | -0.009 | 46.261 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | X | 94 | ILE | 0 | -0.037 | -0.022 | 45.740 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | X | 95 | LYS | 1 | 0.861 | 0.946 | 46.289 | 6.954 | 6.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | X | 96 | GLU | -1 | -0.906 | -0.967 | 48.896 | -6.180 | -6.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | X | 97 | LYS | 1 | 0.758 | 0.891 | 51.803 | 6.234 | 6.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | X | 98 | TYR | 0 | -0.049 | -0.031 | 51.162 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | X | 99 | GLY | 0 | 0.059 | 0.047 | 52.120 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | X | 100 | PRO | 0 | 0.019 | -0.001 | 47.584 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | X | 101 | ASP | -1 | -0.820 | -0.876 | 47.063 | -6.654 | -6.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | X | 102 | ALA | 0 | 0.024 | 0.028 | 48.535 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | X | 103 | ILE | 0 | -0.012 | -0.008 | 42.498 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | X | 104 | GLN | 0 | -0.026 | -0.014 | 41.037 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | X | 105 | THR | 0 | -0.005 | -0.026 | 37.656 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | X | 106 | THR | 0 | 0.010 | 0.010 | 34.093 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | X | 107 | GLY | 0 | 0.057 | 0.009 | 33.538 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | X | 108 | SER | 0 | -0.043 | -0.031 | 28.828 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | X | 109 | SER | 0 | 0.016 | 0.012 | 29.215 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | X | 110 | ARG | 1 | 0.807 | 0.882 | 23.856 | 11.536 | 11.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | X | 111 | GLY | 0 | -0.023 | -0.013 | 21.946 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | X | 112 | THR | 0 | -0.005 | -0.019 | 21.747 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | X | 113 | GLY | 0 | 0.089 | 0.028 | 23.395 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | X | 114 | ASN | 0 | 0.010 | 0.000 | 24.999 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | X | 115 | GLU | -1 | -0.735 | -0.869 | 25.193 | -12.114 | -12.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | X | 116 | THR | 0 | 0.010 | -0.021 | 26.353 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | X | 117 | ASN | 0 | -0.045 | -0.021 | 28.889 | 0.634 | 0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | X | 118 | TYR | 0 | 0.004 | -0.022 | 31.442 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | X | 119 | VAL | 0 | 0.034 | 0.007 | 30.591 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | X | 120 | MET | 0 | -0.003 | 0.015 | 32.974 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | X | 121 | GLN | 0 | -0.009 | -0.005 | 34.732 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | X | 122 | LYS | 1 | 0.822 | 0.916 | 35.452 | 9.111 | 9.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | X | 123 | PHE | 0 | 0.022 | 0.002 | 36.494 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | X | 124 | ALA | 0 | 0.005 | 0.005 | 38.341 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | X | 125 | ARG | 1 | 0.805 | 0.884 | 40.153 | 7.919 | 7.919 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | X | 126 | ALA | 0 | 0.005 | -0.008 | 40.986 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | X | 127 | VAL | 0 | -0.037 | 0.008 | 39.365 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | X | 128 | ILE | 0 | -0.031 | -0.010 | 41.433 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | X | 129 | GLY | 0 | 0.022 | 0.009 | 44.107 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | X | 130 | THR | 0 | -0.054 | -0.063 | 43.686 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | X | 131 | ASN | 0 | -0.011 | -0.025 | 44.134 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | X | 132 | ASN | 0 | -0.021 | 0.000 | 43.798 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | X | 133 | VAL | 0 | -0.016 | 0.017 | 37.487 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | X | 134 | ASP | -1 | -0.781 | -0.883 | 38.805 | -7.548 | -7.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | X | 135 | CYS | 0 | -0.032 | 0.009 | 34.628 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | X | 136 | CYS | 0 | -0.055 | -0.042 | 35.457 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | X | 137 | ALA | 0 | -0.084 | -0.031 | 33.637 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | X | 138 | ARG | 1 | 0.902 | 0.919 | 34.963 | 7.428 | 7.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | X | 139 | VAL | 0 | -0.034 | -0.046 | 35.939 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | X | 140 | CYS | -1 | -0.848 | -0.855 | 38.454 | -7.332 | -7.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | X | 141 | HIS | 0 | 0.011 | -0.007 | 41.222 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | X | 142 | GLY | 0 | 0.054 | 0.031 | 43.336 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | X | 143 | PRO | 0 | -0.024 | -0.018 | 46.041 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | X | 144 | SER | 0 | -0.022 | -0.014 | 48.680 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | X | 145 | VAL | 0 | 0.005 | 0.010 | 45.916 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | X | 146 | ALA | 0 | 0.014 | 0.018 | 47.791 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | X | 147 | GLY | 0 | 0.067 | -0.001 | 45.341 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | X | 148 | LEU | 0 | 0.045 | 0.011 | 41.415 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | X | 149 | HIS | 0 | -0.025 | 0.010 | 44.271 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | X | 150 | GLN | 0 | -0.020 | -0.023 | 45.717 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | X | 151 | SER | 0 | 0.007 | 0.023 | 48.051 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | X | 152 | VAL | 0 | 0.004 | -0.001 | 44.396 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | X | 153 | GLY | 0 | 0.037 | 0.018 | 46.575 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | X | 154 | ASN | 0 | -0.026 | -0.016 | 39.494 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | X | 155 | GLY | 0 | 0.068 | 0.041 | 40.780 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | X | 156 | ALA | 0 | 0.007 | 0.017 | 35.971 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | X | 157 | MET | 0 | -0.058 | -0.003 | 32.917 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | X | 158 | SER | 0 | 0.047 | 0.012 | 36.805 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | X | 159 | ASN | 0 | -0.050 | -0.011 | 36.767 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | X | 160 | ALA | 0 | 0.024 | 0.015 | 31.354 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | X | 161 | ILE | 0 | -0.014 | -0.030 | 27.791 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | X | 162 | ASN | 0 | -0.067 | -0.060 | 26.356 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | X | 163 | GLU | -1 | -0.717 | -0.813 | 30.439 | -8.303 | -8.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | X | 164 | ILE | 0 | 0.017 | 0.016 | 32.153 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | X | 165 | ASP | -1 | -0.813 | -0.877 | 29.964 | -9.592 | -9.592 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | X | 166 | ASN | 0 | -0.017 | -0.007 | 33.374 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | X | 167 | THR | 0 | 0.000 | 0.009 | 36.684 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | X | 168 | ASP | -1 | -0.824 | -0.919 | 39.362 | -6.970 | -6.970 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | X | 169 | LEU | 0 | -0.075 | -0.049 | 42.047 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | X | 170 | VAL | 0 | 0.013 | 0.018 | 36.782 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | X | 171 | PHE | 0 | 0.034 | 0.000 | 39.950 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | X | 172 | VAL | 0 | -0.023 | -0.009 | 37.647 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | X | 173 | PHE | 0 | 0.057 | 0.016 | 40.340 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | X | 174 | GLY | 0 | 0.021 | 0.000 | 41.330 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | X | 175 | TYR | 0 | -0.052 | -0.062 | 31.983 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | X | 176 | ASN | 0 | 0.054 | 0.012 | 34.132 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | X | 177 | PRO | 0 | 0.019 | 0.017 | 31.461 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | X | 178 | ALA | 0 | 0.004 | 0.001 | 29.843 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | X | 179 | ASP | -1 | -0.796 | -0.890 | 28.654 | -9.529 | -9.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | X | 180 | SER | 0 | -0.081 | -0.039 | 28.716 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | X | 181 | HIS | 0 | -0.044 | -0.040 | 27.443 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | X | 182 | PRO | 0 | 0.058 | 0.031 | 24.347 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | X | 183 | ILE | 0 | 0.002 | 0.004 | 21.323 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | X | 184 | VAL | 0 | 0.024 | 0.007 | 25.271 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | X | 185 | ALA | 0 | 0.010 | 0.008 | 28.653 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | X | 186 | ASN | 0 | -0.002 | -0.001 | 23.614 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | X | 187 | HIS | 1 | 0.792 | 0.859 | 25.861 | 10.684 | 10.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | X | 188 | VAL | 0 | 0.022 | 0.017 | 29.899 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | X | 189 | ILE | 0 | -0.005 | -0.007 | 29.256 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | X | 190 | ASN | 0 | -0.073 | -0.059 | 29.330 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | X | 191 | ALA | 0 | 0.051 | 0.031 | 31.399 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | X | 192 | LYS | 1 | 0.776 | 0.891 | 34.847 | 7.496 | 7.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | X | 193 | ARG | 1 | 0.879 | 0.936 | 30.493 | 9.258 | 9.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | X | 194 | ASN | 0 | -0.062 | -0.033 | 32.449 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | X | 195 | GLY | 0 | 0.000 | 0.009 | 36.170 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | X | 196 | ALA | 0 | -0.029 | 0.009 | 38.162 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | X | 197 | LYS | 1 | 0.894 | 0.935 | 39.900 | 6.673 | 6.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | X | 198 | ILE | 0 | -0.041 | -0.019 | 36.530 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | X | 199 | ILE | 0 | 0.018 | 0.013 | 40.993 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | X | 200 | VAL | 0 | -0.026 | -0.016 | 39.583 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | X | 201 | CYS | 0 | 0.011 | 0.033 | 42.343 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | X | 202 | ASP | -1 | -0.815 | -0.933 | 40.136 | -7.558 | -7.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | X | 203 | PRO | 0 | 0.002 | 0.026 | 43.352 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | X | 204 | ARG | 1 | 0.800 | 0.906 | 36.812 | 7.810 | 7.810 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | X | 205 | LYS | 1 | 0.922 | 0.968 | 41.300 | 6.517 | 6.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | X | 206 | ILE | 0 | -0.032 | -0.011 | 36.464 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | X | 207 | GLU | -1 | -0.790 | -0.882 | 32.011 | -8.400 | -8.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | X | 208 | THR | 0 | -0.005 | -0.020 | 35.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | X | 209 | ALA | 0 | 0.024 | 0.014 | 36.394 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | X | 210 | ARG | 1 | 0.854 | 0.911 | 34.955 | 8.133 | 8.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | X | 211 | ILE | 0 | -0.042 | -0.012 | 34.232 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | X | 212 | ALA | 0 | -0.014 | 0.001 | 38.344 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | X | 213 | ASP | -1 | -0.799 | -0.882 | 41.248 | -6.910 | -6.910 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | X | 214 | MET | 0 | -0.028 | -0.003 | 44.401 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | X | 215 | HIS | 0 | -0.061 | -0.038 | 43.466 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | X | 216 | ILE | 0 | 0.034 | 0.007 | 45.016 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | X | 217 | ALA | 0 | -0.017 | -0.001 | 46.628 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | X | 218 | LEU | 0 | -0.016 | -0.008 | 46.432 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | X | 219 | LYS | 1 | 0.888 | 0.923 | 48.646 | 5.351 | 5.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | X | 220 | ASN | 0 | 0.021 | -0.001 | 46.294 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | X | 221 | GLY | 0 | 0.053 | 0.022 | 48.852 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | X | 222 | SER | 0 | -0.024 | -0.007 | 50.633 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | X | 223 | ASN | 0 | -0.008 | -0.013 | 47.928 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | X | 224 | ILE | 0 | 0.030 | 0.014 | 50.795 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | X | 225 | ALA | 0 | 0.034 | 0.035 | 53.550 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | X | 226 | LEU | 0 | 0.037 | 0.018 | 49.501 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | X | 227 | LEU | 0 | -0.022 | -0.017 | 48.496 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | X | 228 | ASN | 0 | 0.025 | 0.022 | 52.629 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | X | 229 | ALA | 0 | 0.056 | 0.034 | 56.285 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | X | 230 | MET | 0 | -0.070 | -0.036 | 49.164 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | X | 231 | GLY | 0 | 0.039 | 0.010 | 54.595 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | X | 232 | HIS | 0 | -0.051 | -0.028 | 56.032 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | X | 233 | VAL | 0 | 0.008 | 0.010 | 56.764 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | X | 234 | ILE | 0 | -0.035 | -0.017 | 52.457 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | X | 235 | ILE | 0 | -0.017 | -0.013 | 56.975 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | X | 236 | GLU | -1 | -0.862 | -0.925 | 60.182 | -4.856 | -4.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | X | 237 | GLU | -1 | -0.823 | -0.879 | 59.212 | -5.149 | -5.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | X | 238 | ASN | 0 | -0.077 | -0.045 | 60.657 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | X | 239 | LEU | 0 | -0.023 | 0.008 | 55.507 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | X | 240 | TYR | 0 | 0.035 | 0.018 | 55.176 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | X | 241 | ASP | -1 | -0.839 | -0.918 | 52.920 | -5.732 | -5.732 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | X | 242 | LYS | 1 | 0.868 | 0.907 | 55.417 | 5.028 | 5.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | X | 243 | ALA | 0 | -0.006 | 0.013 | 56.429 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | X | 244 | PHE | 0 | 0.016 | 0.021 | 49.131 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | X | 245 | VAL | 0 | -0.010 | -0.010 | 54.428 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | X | 246 | ALA | 0 | -0.020 | 0.003 | 56.409 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | X | 247 | SER | 0 | -0.059 | -0.043 | 55.802 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | X | 248 | ARG | 1 | 0.833 | 0.929 | 47.602 | 6.310 | 6.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | X | 249 | THR | 0 | -0.060 | -0.041 | 52.807 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | X | 250 | GLU | -1 | -0.755 | -0.848 | 55.149 | -5.378 | -5.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | X | 251 | GLY | 0 | 0.083 | 0.036 | 56.606 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | X | 252 | PHE | 0 | -0.032 | -0.012 | 57.828 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | X | 253 | GLU | -1 | -0.818 | -0.923 | 59.213 | -4.828 | -4.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | X | 254 | GLU | -1 | -0.922 | -0.966 | 60.806 | -5.069 | -5.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | X | 255 | TYR | 0 | 0.043 | 0.008 | 53.970 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | X | 256 | ARG | 1 | 0.808 | 0.882 | 59.261 | 4.810 | 4.810 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | X | 257 | LYS | 1 | 0.875 | 0.944 | 61.643 | 4.838 | 4.838 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | X | 258 | ILE | 0 | -0.005 | 0.020 | 59.481 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | X | 259 | VAL | 0 | -0.018 | -0.013 | 57.243 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | X | 260 | GLU | -1 | -0.866 | -0.898 | 60.486 | -4.678 | -4.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | X | 261 | GLY | 0 | -0.019 | -0.009 | 63.936 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | X | 262 | TYR | 0 | -0.083 | -0.072 | 59.356 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | X | 263 | THR | 0 | 0.052 | 0.029 | 60.588 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | X | 264 | PRO | 0 | 0.001 | 0.002 | 58.587 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | X | 265 | GLU | -1 | -0.794 | -0.896 | 59.914 | -4.989 | -4.989 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | X | 266 | SER | 0 | -0.116 | -0.051 | 62.278 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | X | 267 | VAL | 0 | 0.022 | -0.004 | 56.685 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | X | 268 | GLU | -1 | -0.808 | -0.872 | 57.762 | -5.188 | -5.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | X | 269 | ASP | -1 | -0.899 | -0.943 | 57.725 | -5.080 | -5.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | X | 270 | ILE | 0 | -0.054 | -0.014 | 56.208 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | X | 271 | THR | 0 | 0.010 | -0.033 | 53.272 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | X | 272 | GLY | 0 | -0.084 | -0.036 | 52.971 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | X | 273 | VAL | 0 | -0.036 | 0.008 | 51.240 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | X | 274 | SER | 0 | 0.005 | -0.033 | 54.027 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | X | 275 | ALA | 0 | 0.033 | -0.006 | 56.136 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | X | 276 | SER | 0 | -0.063 | -0.027 | 57.219 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | X | 277 | GLU | -1 | -0.833 | -0.891 | 51.657 | -5.841 | -5.841 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | X | 278 | ILE | 0 | 0.021 | 0.007 | 52.944 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | X | 279 | ARG | 1 | 0.843 | 0.899 | 54.188 | 4.986 | 4.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | X | 280 | GLN | 0 | -0.042 | -0.017 | 51.305 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | X | 281 | ALA | 0 | 0.040 | 0.004 | 49.508 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | X | 282 | ALA | 0 | -0.035 | -0.008 | 50.253 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | X | 283 | ARG | 1 | 0.832 | 0.871 | 52.461 | 5.260 | 5.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | X | 284 | MET | 0 | -0.050 | -0.018 | 47.143 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | X | 285 | TYR | 0 | -0.018 | -0.015 | 45.024 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | X | 286 | ALA | 0 | 0.027 | 0.009 | 48.481 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | X | 287 | GLN | 0 | -0.041 | -0.020 | 51.283 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | X | 288 | ALA | 0 | -0.083 | -0.029 | 45.561 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | X | 289 | LYS | 1 | 0.934 | 0.971 | 45.487 | 6.438 | 6.438 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | X | 290 | SER | 0 | -0.010 | -0.013 | 42.786 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | X | 291 | ALA | 0 | 0.012 | 0.017 | 42.918 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | X | 292 | ALA | 0 | -0.005 | 0.003 | 38.901 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | X | 293 | ILE | 0 | -0.006 | 0.008 | 40.586 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | X | 294 | LEU | 0 | -0.044 | -0.016 | 34.971 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | X | 295 | TRP | 0 | 0.059 | 0.016 | 38.475 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | X | 296 | GLY | 0 | 0.051 | 0.031 | 36.652 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | X | 297 | MET | 0 | -0.003 | -0.003 | 35.653 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | X | 298 | GLY | 0 | -0.033 | -0.002 | 37.719 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | X | 299 | VAL | 0 | 0.062 | 0.013 | 39.567 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | X | 300 | THR | 0 | -0.050 | -0.029 | 41.095 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | X | 301 | GLN | 0 | -0.001 | -0.015 | 38.266 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | X | 302 | PHE | 0 | -0.049 | -0.031 | 42.767 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | X | 303 | TYR | 0 | -0.059 | -0.042 | 46.442 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | X | 304 | GLN | 0 | 0.131 | 0.066 | 49.000 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | X | 305 | GLY | 0 | 0.006 | 0.042 | 46.805 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | X | 306 | VAL | 0 | 0.004 | -0.011 | 45.618 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | X | 307 | GLU | -1 | -0.805 | -0.891 | 47.634 | -6.111 | -6.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | X | 308 | THR | 0 | -0.033 | -0.039 | 46.870 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | X | 309 | VAL | 0 | -0.025 | -0.002 | 43.634 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | X | 310 | ARG | 1 | 0.882 | 0.943 | 46.275 | 6.045 | 6.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | X | 311 | SER | 0 | 0.017 | 0.031 | 49.223 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | X | 312 | LEU | 0 | -0.007 | -0.012 | 44.112 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | X | 313 | THR | 0 | -0.027 | -0.042 | 46.132 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | X | 314 | SER | 0 | 0.013 | -0.002 | 47.485 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | X | 315 | LEU | 0 | 0.006 | 0.017 | 48.982 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | X | 316 | ALA | 0 | 0.022 | 0.023 | 46.105 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | X | 317 | MET | 0 | -0.082 | -0.029 | 48.029 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | X | 318 | LEU | 0 | -0.035 | -0.003 | 50.811 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | X | 319 | THR | 0 | -0.001 | -0.012 | 49.368 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | X | 320 | GLY | 0 | 0.057 | 0.044 | 50.214 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | X | 321 | ASN | 0 | -0.046 | -0.020 | 45.411 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | X | 322 | LEU | 0 | 0.025 | -0.007 | 44.194 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | X | 323 | GLY | 0 | 0.027 | 0.024 | 44.229 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | X | 324 | LYS | 1 | 0.841 | 0.928 | 43.570 | 6.640 | 6.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | X | 325 | PRO | 0 | 0.036 | 0.017 | 38.889 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | X | 326 | HIS | 0 | -0.087 | -0.064 | 35.577 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | X | 327 | ALA | 0 | 0.013 | 0.015 | 39.235 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | X | 328 | GLY | 0 | 0.018 | 0.019 | 40.067 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | X | 329 | VAL | 0 | -0.029 | -0.016 | 41.235 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | X | 330 | ASN | 0 | -0.015 | -0.024 | 36.302 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | X | 331 | PRO | 0 | 0.042 | 0.038 | 37.560 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | X | 332 | VAL | 0 | 0.037 | 0.007 | 31.737 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | X | 333 | ARG | 1 | 0.733 | 0.805 | 33.621 | 8.149 | 8.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | X | 334 | GLY | 0 | 0.007 | -0.003 | 31.309 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | X | 335 | GLN | 0 | 0.033 | -0.003 | 27.871 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | X | 336 | ASN | 0 | -0.036 | -0.017 | 23.352 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | X | 337 | ASN | 0 | 0.070 | 0.039 | 25.456 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | X | 338 | VAL | 0 | -0.028 | -0.013 | 27.517 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | X | 339 | GLN | 0 | -0.044 | -0.024 | 30.709 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | X | 340 | GLY | 0 | 0.063 | 0.031 | 29.454 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | X | 341 | ALA | 0 | -0.002 | -0.010 | 30.522 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | X | 342 | CYS | 0 | -0.028 | 0.012 | 32.135 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | X | 343 | ASP | -1 | -0.679 | -0.808 | 32.265 | -9.223 | -9.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | X | 344 | MET | 0 | -0.025 | -0.010 | 30.623 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | X | 345 | GLY | 0 | 0.041 | 0.019 | 34.019 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | X | 346 | ALA | 0 | -0.003 | 0.010 | 34.736 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | X | 347 | LEU | 0 | -0.004 | -0.014 | 36.732 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | X | 348 | PRO | 0 | 0.023 | 0.036 | 40.048 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | X | 349 | ASP | -1 | -0.843 | -0.947 | 43.448 | -6.863 | -6.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | X | 350 | THR | 0 | -0.075 | -0.054 | 40.324 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | X | 351 | TYR | 0 | 0.076 | 0.057 | 40.574 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | X | 352 | PRO | 0 | -0.006 | 0.010 | 35.827 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | X | 353 | GLY | 0 | 0.000 | -0.008 | 36.895 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | X | 354 | TYR | 0 | -0.081 | -0.061 | 35.778 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | X | 355 | GLN | 0 | -0.007 | 0.015 | 40.317 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | X | 356 | TYR | 0 | 0.004 | -0.021 | 43.479 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | X | 357 | VAL | 0 | 0.026 | 0.020 | 44.641 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | X | 358 | LYS | 1 | 0.949 | 0.989 | 47.060 | 6.590 | 6.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | X | 359 | ASP | -1 | -0.899 | -0.939 | 48.793 | -6.269 | -6.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | X | 360 | PRO | 0 | -0.005 | -0.011 | 49.885 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | X | 361 | ALA | 0 | 0.045 | 0.029 | 50.455 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | X | 362 | ASN | 0 | -0.039 | -0.022 | 45.628 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | X | 363 | ARG | 1 | 0.887 | 0.934 | 46.096 | 6.140 | 6.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | X | 364 | GLU | -1 | -0.953 | -0.964 | 47.537 | -6.382 | -6.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | X | 365 | LYS | 1 | 0.830 | 0.908 | 42.077 | 7.421 | 7.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | X | 366 | PHE | 0 | 0.020 | -0.010 | 39.039 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | X | 367 | ALA | 0 | -0.005 | 0.005 | 43.276 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | X | 368 | LYS | 1 | 0.977 | 0.987 | 45.248 | 6.615 | 6.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | X | 369 | ALA | 0 | -0.048 | -0.023 | 40.645 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | X | 370 | TRP | 0 | -0.049 | -0.028 | 37.887 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | X | 371 | GLY | 0 | 0.023 | 0.032 | 41.648 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | X | 372 | VAL | 0 | -0.031 | -0.011 | 44.340 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | X | 373 | GLU | -1 | -0.948 | -0.972 | 46.701 | -5.976 | -5.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | X | 374 | SER | 0 | -0.028 | -0.025 | 49.426 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | X | 375 | LEU | 0 | 0.011 | 0.009 | 44.289 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | X | 376 | PRO | 0 | 0.003 | 0.025 | 46.391 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | X | 377 | ALA | 0 | 0.003 | -0.007 | 48.318 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | X | 378 | HIS | 0 | -0.065 | -0.040 | 50.673 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | X | 379 | THR | 0 | -0.049 | -0.036 | 47.109 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | X | 380 | GLY | 0 | 0.032 | 0.027 | 46.202 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | X | 381 | TYR | 0 | -0.022 | -0.022 | 46.225 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | X | 382 | ARG | 1 | 0.909 | 0.957 | 43.290 | 6.572 | 6.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | X | 383 | ILE | 0 | 0.034 | 0.009 | 38.508 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | X | 384 | SER | 0 | -0.002 | -0.008 | 41.736 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | X | 385 | GLU | -1 | -0.837 | -0.924 | 43.718 | -6.388 | -6.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | X | 386 | LEU | 0 | 0.018 | 0.023 | 41.977 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | X | 387 | PRO | 0 | 0.017 | -0.013 | 44.779 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | X | 388 | HIS | 0 | -0.007 | 0.016 | 47.581 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | X | 389 | ARG | 1 | 0.796 | 0.864 | 47.983 | 6.318 | 6.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | X | 390 | ALA | 0 | -0.006 | 0.016 | 47.233 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | X | 391 | ALA | 0 | 0.040 | 0.026 | 49.359 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | X | 392 | HIS | 0 | -0.098 | -0.054 | 52.446 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | X | 393 | GLY | 0 | -0.025 | 0.001 | 52.258 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | X | 394 | GLU | -1 | -0.872 | -0.917 | 51.767 | -5.939 | -5.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | X | 395 | VAL | 0 | -0.041 | -0.023 | 45.367 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | X | 396 | ARG | 1 | 0.813 | 0.914 | 47.836 | 6.168 | 6.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | X | 397 | ALA | 0 | 0.037 | 0.013 | 42.901 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | X | 398 | ALA | 0 | 0.011 | 0.006 | 40.700 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | X | 399 | TYR | 0 | -0.054 | -0.050 | 32.740 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | X | 400 | ILE | 0 | 0.003 | 0.000 | 34.270 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | X | 401 | MET | 0 | 0.014 | 0.011 | 30.126 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | X | 402 | GLY | 0 | 0.010 | 0.003 | 28.796 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | X | 403 | GLU | -1 | -0.811 | -0.901 | 29.422 | -8.876 | -8.876 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | X | 404 | ASP | -1 | -0.740 | -0.862 | 31.603 | -9.131 | -9.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | X | 405 | PRO | 0 | 0.067 | 0.049 | 33.519 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | X | 406 | LEU | 0 | -0.026 | -0.018 | 37.097 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | X | 407 | GLN | 0 | -0.021 | -0.013 | 33.030 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | X | 408 | THR | 0 | -0.125 | -0.096 | 32.725 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | X | 409 | ASP | -1 | -0.846 | -0.898 | 36.165 | -7.580 | -7.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | X | 410 | ALA | 0 | -0.090 | -0.058 | 39.558 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | X | 411 | GLU | -1 | -0.962 | -0.978 | 42.951 | -6.281 | -6.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | X | 412 | LEU | 0 | 0.025 | 0.017 | 39.301 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | X | 413 | SER | 0 | -0.025 | -0.024 | 42.764 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | X | 414 | ALA | 0 | 0.038 | 0.033 | 46.006 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | X | 415 | VAL | 0 | 0.044 | 0.014 | 40.793 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | X | 416 | ARG | 1 | 0.939 | 0.969 | 42.967 | 7.110 | 7.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | X | 417 | LYS | 1 | 0.851 | 0.934 | 44.310 | 6.165 | 6.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | X | 418 | ALA | 0 | 0.056 | 0.031 | 44.877 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | X | 419 | PHE | 0 | -0.025 | -0.033 | 38.579 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | X | 420 | GLU | -1 | -0.951 | -0.962 | 44.462 | -6.365 | -6.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | X | 421 | ASP | -1 | -0.904 | -0.965 | 47.721 | -6.184 | -6.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | X | 422 | LEU | 0 | -0.045 | -0.007 | 43.591 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | X | 423 | GLU | -1 | -0.839 | -0.912 | 47.389 | -6.312 | -6.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | X | 424 | LEU | 0 | -0.046 | -0.032 | 41.241 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | X | 425 | VAL | 0 | 0.005 | 0.008 | 38.750 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | X | 426 | ILE | 0 | 0.015 | 0.005 | 35.268 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | X | 427 | VAL | 0 | -0.023 | -0.008 | 32.296 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | X | 428 | GLN | 0 | -0.006 | 0.008 | 29.102 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | X | 429 | ASP | -1 | -0.792 | -0.894 | 27.355 | -10.868 | -10.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | X | 430 | ILE | 0 | -0.009 | 0.004 | 21.780 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | X | 431 | PHE | 0 | -0.041 | -0.046 | 21.179 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | X | 432 | MET | 0 | 0.020 | 0.037 | 26.253 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | X | 433 | THR | 0 | -0.009 | 0.011 | 28.928 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | X | 434 | LYS | 1 | 0.813 | 0.896 | 31.111 | 8.568 | 8.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | X | 435 | THR | 0 | 0.000 | -0.023 | 34.098 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | X | 436 | ALA | 0 | 0.036 | 0.022 | 31.738 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | X | 437 | SER | 0 | -0.010 | -0.024 | 33.788 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | X | 438 | ALA | 0 | -0.045 | -0.020 | 35.755 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | X | 439 | ALA | 0 | 0.015 | 0.025 | 36.214 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | X | 440 | ASP | -1 | -0.757 | -0.840 | 38.297 | -7.267 | -7.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | X | 441 | VAL | 0 | -0.032 | -0.019 | 35.672 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | X | 442 | ILE | 0 | -0.002 | 0.010 | 30.790 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | X | 443 | LEU | 0 | -0.008 | -0.011 | 30.682 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | X | 444 | PRO | 0 | -0.006 | 0.009 | 25.517 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | X | 445 | SER | 0 | 0.046 | 0.003 | 23.890 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | X | 446 | THR | 0 | -0.037 | -0.042 | 19.549 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | X | 447 | SER | 0 | -0.023 | -0.031 | 17.882 | 0.887 | 0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | X | 448 | TRP | 0 | 0.032 | 0.007 | 14.510 | -1.043 | -1.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | X | 449 | GLY | 0 | 0.010 | 0.010 | 13.809 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | X | 450 | GLU | -1 | -0.772 | -0.865 | 13.417 | -18.177 | -18.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | X | 451 | HIS | 0 | -0.011 | 0.013 | 15.686 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | X | 452 | GLU | -1 | -0.874 | -0.912 | 16.878 | -16.820 | -16.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | X | 453 | GLY | 0 | 0.040 | 0.013 | 18.436 | 0.705 | 0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | X | 454 | VAL | 0 | -0.034 | -0.008 | 21.442 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | X | 455 | PHE | 0 | -0.023 | -0.010 | 20.326 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | X | 456 | THR | 0 | -0.031 | -0.024 | 24.904 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | X | 457 | ALA | 0 | -0.020 | 0.001 | 25.826 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | X | 458 | ALA | 0 | 0.005 | -0.018 | 27.596 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | X | 459 | ASP | -1 | -0.799 | -0.908 | 29.603 | -10.011 | -10.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | X | 460 | ARG | 1 | 0.808 | 0.892 | 31.456 | 8.936 | 8.936 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | X | 461 | GLY | 0 | 0.021 | 0.014 | 28.101 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | X | 462 | PHE | 0 | -0.031 | -0.011 | 27.078 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | X | 463 | GLN | 0 | -0.029 | -0.040 | 21.617 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | X | 464 | ARG | 1 | 0.916 | 0.966 | 19.156 | 15.500 | 15.500 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | X | 465 | PHE | 0 | -0.111 | -0.031 | 17.374 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | X | 466 | PHE | 0 | 0.045 | 0.011 | 14.047 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | X | 467 | LYS | 1 | 0.822 | 0.913 | 13.356 | 19.174 | 19.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | X | 468 | ALA | 0 | -0.019 | -0.010 | 9.388 | -1.776 | -1.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | X | 469 | VAL | 0 | -0.025 | -0.032 | 8.708 | -4.224 | -4.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | X | 470 | GLU | -1 | -0.785 | -0.867 | 10.812 | -19.143 | -19.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | X | 471 | PRO | 0 | 0.043 | 0.031 | 13.726 | -0.683 | -0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | X | 472 | LYS | 1 | 0.833 | 0.897 | 13.037 | 20.909 | 20.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | X | 473 | TRP | 0 | 0.019 | 0.015 | 17.571 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | X | 474 | ASP | -1 | -0.868 | -0.935 | 21.007 | -12.616 | -12.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | X | 475 | LEU | 0 | -0.048 | -0.014 | 20.050 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | X | 476 | LYS | 1 | 0.904 | 0.961 | 22.531 | 10.815 | 10.815 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | X | 477 | THR | 0 | 0.039 | 0.010 | 21.667 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | X | 478 | ASP | -1 | -0.737 | -0.844 | 24.205 | -11.330 | -11.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | X | 479 | TRP | 0 | 0.029 | 0.016 | 22.794 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | X | 480 | GLN | 0 | 0.007 | 0.025 | 23.151 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | X | 481 | ILE | 0 | -0.024 | -0.002 | 27.120 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | X | 482 | ILE | 0 | 0.015 | 0.003 | 30.194 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | X | 483 | SER | 0 | -0.016 | -0.027 | 31.051 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | X | 484 | GLU | -1 | -0.816 | -0.889 | 31.110 | -9.816 | -9.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | X | 485 | ILE | 0 | -0.014 | -0.011 | 33.619 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | X | 486 | ALA | 0 | -0.005 | -0.009 | 36.000 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | X | 487 | THR | 0 | 0.012 | 0.009 | 35.643 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | X | 488 | ARG | 1 | 0.725 | 0.840 | 34.368 | 9.120 | 9.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | X | 489 | MET | 0 | -0.072 | -0.017 | 39.545 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | X | 490 | GLY | 0 | -0.008 | 0.006 | 41.575 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | X | 491 | TYR | 0 | -0.060 | -0.050 | 38.195 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | X | 492 | PRO | 0 | -0.045 | -0.017 | 38.421 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | X | 493 | MET | 0 | -0.015 | -0.006 | 33.712 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | X | 494 | HIS | 0 | -0.029 | -0.021 | 30.210 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | X | 495 | TYR | 0 | 0.011 | -0.024 | 28.050 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | X | 496 | ASN | 0 | -0.060 | -0.057 | 25.032 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | X | 497 | ASN | 0 | -0.071 | -0.034 | 22.442 | -0.607 | -0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | X | 498 | THR | 0 | -0.009 | -0.025 | 21.601 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | X | 499 | GLN | 0 | 0.009 | -0.003 | 23.936 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | X | 500 | GLU | -1 | -0.814 | -0.884 | 25.563 | -11.060 | -11.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | X | 501 | ILE | 0 | -0.009 | 0.013 | 26.951 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | X | 502 | TRP | 0 | -0.009 | -0.024 | 27.227 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | X | 503 | ASP | -1 | -0.758 | -0.874 | 29.124 | -10.729 | -10.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | X | 504 | GLU | -1 | -0.750 | -0.795 | 31.166 | -8.746 | -8.746 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | X | 505 | LEU | 0 | -0.006 | 0.002 | 30.512 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | X | 506 | ARG | 1 | 0.792 | 0.876 | 30.497 | 10.414 | 10.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | X | 507 | HIS | 0 | -0.076 | -0.046 | 34.273 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | X | 508 | LEU | 0 | 0.004 | 0.016 | 37.089 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | X | 509 | CYS | 0 | -0.041 | 0.002 | 36.158 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | X | 510 | PRO | 0 | 0.047 | 0.014 | 37.241 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | X | 511 | ASP | -1 | -0.831 | -0.897 | 37.882 | -7.973 | -7.973 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | X | 512 | PHE | 0 | 0.020 | -0.007 | 33.001 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | X | 513 | TYR | 0 | -0.020 | 0.005 | 33.204 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | X | 514 | GLY | 0 | 0.062 | 0.026 | 33.814 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | X | 515 | ALA | 0 | 0.030 | 0.008 | 29.333 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | X | 516 | THR | 0 | 0.049 | 0.019 | 28.566 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | X | 517 | TYR | 0 | 0.024 | -0.036 | 22.264 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | X | 518 | GLU | -1 | -0.990 | -0.980 | 23.401 | -12.580 | -12.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | X | 519 | LYS | 1 | 0.797 | 0.905 | 23.843 | 9.704 | 9.704 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | X | 520 | MET | 0 | -0.065 | -0.024 | 23.461 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | X | 521 | GLY | 0 | 0.030 | 0.029 | 20.823 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | X | 522 | GLU | -1 | -0.942 | -0.981 | 14.062 | -22.036 | -22.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | X | 523 | LEU | 0 | -0.050 | -0.038 | 15.282 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | X | 524 | GLY | 0 | 0.030 | 0.040 | 18.867 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | X | 525 | PHE | 0 | -0.070 | -0.060 | 22.467 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | X | 526 | ILE | 0 | 0.024 | 0.017 | 25.089 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | X | 527 | GLN | 0 | -0.045 | -0.020 | 28.484 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | X | 528 | TRP | 0 | -0.006 | 0.023 | 31.316 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | X | 529 | PRO | 0 | 0.000 | -0.024 | 34.103 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | X | 530 | CYS | 0 | -0.086 | -0.027 | 32.834 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | X | 531 | ARG | 1 | 0.830 | 0.912 | 34.941 | 7.650 | 7.650 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | X | 532 | ASP | -1 | -0.882 | -0.948 | 36.721 | -8.118 | -8.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | X | 533 | THR | 0 | -0.031 | -0.025 | 33.394 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | X | 534 | SER | 0 | 0.008 | 0.013 | 32.740 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | X | 535 | ASP | -1 | -0.818 | -0.923 | 28.966 | -10.996 | -10.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | X | 536 | ALA | 0 | -0.041 | -0.008 | 31.983 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | X | 537 | ASP | -1 | -0.772 | -0.853 | 34.400 | -8.843 | -8.843 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | X | 538 | GLN | 0 | -0.023 | -0.041 | 28.653 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | X | 539 | GLY | 0 | 0.004 | 0.002 | 31.004 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | X | 540 | THR | 0 | -0.080 | -0.038 | 33.335 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | X | 541 | SER | 0 | -0.058 | -0.046 | 33.788 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | X | 542 | TYR | 0 | -0.028 | -0.020 | 34.809 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | X | 543 | LEU | 0 | -0.011 | -0.002 | 37.984 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | X | 544 | PHE | 0 | 0.017 | -0.016 | 40.695 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | X | 545 | LYS | 1 | 0.929 | 0.994 | 42.845 | 7.273 | 7.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | X | 546 | GLU | -1 | -0.908 | -0.955 | 45.028 | -6.527 | -6.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | X | 547 | LYS | 1 | 0.884 | 0.954 | 46.801 | 6.854 | 6.854 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | X | 548 | PHE | 0 | -0.028 | -0.019 | 46.495 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | X | 549 | ASP | -1 | -0.897 | -0.964 | 43.635 | -7.100 | -7.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | X | 550 | THR | 0 | -0.028 | -0.034 | 47.181 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | X | 551 | PRO | 0 | -0.033 | -0.026 | 50.338 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | X | 552 | ASN | 0 | -0.017 | -0.021 | 53.072 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | X | 553 | GLY | 0 | -0.016 | 0.010 | 51.006 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | X | 554 | LEU | 0 | 0.016 | 0.023 | 51.776 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | X | 555 | ALA | 0 | -0.017 | 0.007 | 49.965 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | X | 556 | GLN | 0 | -0.064 | -0.057 | 51.665 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | X | 557 | PHE | 0 | 0.049 | 0.004 | 52.559 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | X | 558 | PHE | 0 | -0.066 | -0.040 | 52.930 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | X | 559 | THR | 0 | -0.005 | -0.017 | 53.326 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | X | 560 | CYS | 0 | -0.064 | -0.021 | 55.313 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | X | 561 | ASP | -1 | -0.751 | -0.845 | 57.587 | -5.095 | -5.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | X | 562 | TRP | 0 | 0.002 | -0.008 | 54.050 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | X | 563 | VAL | 0 | -0.047 | -0.026 | 56.342 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | X | 564 | ALA | 0 | -0.013 | -0.002 | 55.666 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | X | 565 | PRO | 0 | -0.004 | -0.006 | 52.089 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | X | 566 | ILE | 0 | -0.033 | -0.011 | 52.756 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | X | 567 | ASP | -1 | -0.868 | -0.921 | 52.313 | -5.811 | -5.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | X | 568 | LYS | 1 | 0.912 | 0.963 | 54.406 | 5.086 | 5.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | X | 569 | LEU | 0 | -0.005 | 0.001 | 53.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | X | 570 | THR | 0 | -0.112 | -0.071 | 57.082 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | X | 571 | ASP | -1 | -0.838 | -0.924 | 58.769 | -5.028 | -5.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | X | 572 | GLU | -1 | -0.934 | -0.966 | 58.615 | -5.318 | -5.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | X | 573 | TYR | 0 | -0.059 | -0.028 | 54.004 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | X | 574 | PRO | 0 | 0.022 | 0.018 | 54.965 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | X | 575 | MET | 0 | -0.053 | -0.006 | 49.281 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | X | 576 | VAL | 0 | 0.003 | 0.002 | 48.052 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | X | 577 | LEU | 0 | -0.011 | -0.001 | 43.382 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | X | 578 | SER | 0 | -0.041 | -0.039 | 43.643 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | X | 579 | THR | 0 | 0.014 | 0.007 | 38.926 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | X | 580 | VAL | 0 | -0.042 | -0.018 | 35.911 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | X | 581 | ARG | 1 | 0.896 | 0.957 | 31.492 | 8.893 | 8.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | X | 582 | GLU | -1 | -0.833 | -0.921 | 28.563 | -9.943 | -9.943 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | X | 583 | VAL | 0 | 0.025 | 0.013 | 25.240 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | X | 584 | GLY | 0 | 0.009 | 0.018 | 24.459 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | X | 585 | HIS | 0 | 0.012 | 0.010 | 24.465 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | X | 586 | TYR | 0 | -0.017 | -0.030 | 25.262 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | X | 587 | SER | 0 | -0.024 | -0.019 | 27.240 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | X | 588 | CYS | 0 | 0.018 | 0.025 | 28.049 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | X | 589 | ARG | 1 | 0.952 | 0.989 | 27.097 | 10.258 | 10.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | X | 590 | SER | 0 | 0.017 | 0.003 | 25.978 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | X | 591 | MET | 0 | 0.008 | 0.037 | 20.867 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | X | 592 | THR | 0 | 0.066 | 0.017 | 21.637 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | X | 593 | GLY | 0 | 0.054 | 0.030 | 22.696 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | X | 594 | ASN | 0 | -0.030 | -0.025 | 21.394 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | X | 595 | CYS | 0 | -0.089 | 0.013 | 18.239 | -0.958 | -0.958 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | X | 596 | ALA | 0 | 0.047 | 0.011 | 17.762 | 0.566 | 0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | X | 597 | ALA | 0 | -0.042 | -0.024 | 17.353 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | X | 598 | LEU | 0 | -0.039 | -0.015 | 19.337 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | X | 599 | ALA | 0 | -0.010 | -0.007 | 21.917 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | X | 600 | ALA | 0 | -0.006 | -0.003 | 23.174 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | X | 601 | LEU | 0 | -0.061 | -0.024 | 22.522 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | X | 602 | ALA | 0 | -0.047 | -0.021 | 26.244 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | X | 603 | ASP | -1 | -0.857 | -0.918 | 29.463 | -9.167 | -9.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | X | 604 | GLU | -1 | -0.868 | -0.933 | 32.287 | -8.965 | -8.965 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | X | 605 | PRO | 0 | -0.038 | -0.013 | 34.544 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | X | 606 | GLY | 0 | 0.034 | 0.006 | 34.599 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | X | 607 | TYR | 0 | -0.058 | -0.068 | 33.583 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | X | 608 | ALA | 0 | -0.044 | -0.029 | 37.492 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | X | 609 | GLN | 0 | 0.001 | 0.011 | 36.447 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | X | 610 | ILE | 0 | 0.026 | 0.003 | 40.903 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | X | 611 | ASN | 0 | 0.005 | 0.006 | 44.220 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | X | 612 | THR | 0 | 0.051 | -0.020 | 45.671 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | X | 613 | GLU | -1 | -0.915 | -0.965 | 47.264 | -5.605 | -5.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | X | 614 | ASP | -1 | -0.737 | -0.856 | 49.245 | -5.853 | -5.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | X | 615 | ALA | 0 | 0.006 | 0.010 | 46.905 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | X | 616 | LYS | 1 | 0.959 | 0.976 | 48.963 | 6.049 | 6.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | X | 617 | ARG | 1 | 0.794 | 0.888 | 51.449 | 5.722 | 5.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | X | 618 | LEU | 0 | -0.030 | -0.010 | 50.986 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | X | 619 | GLY | 0 | 0.007 | 0.012 | 52.480 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | X | 620 | ILE | 0 | -0.087 | -0.042 | 46.250 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | X | 621 | GLU | -1 | -0.909 | -0.957 | 45.821 | -6.220 | -6.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | X | 622 | ASP | -1 | -0.837 | -0.938 | 40.119 | -7.444 | -7.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | X | 623 | GLU | -1 | -0.853 | -0.896 | 36.364 | -8.048 | -8.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | X | 624 | ALA | 0 | -0.038 | 0.001 | 40.105 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | X | 625 | LEU | 0 | -0.010 | -0.006 | 39.913 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | X | 626 | VAL | 0 | 0.004 | -0.006 | 43.542 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | X | 627 | TRP | 0 | 0.001 | -0.007 | 45.364 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | X | 628 | VAL | 0 | 0.032 | 0.014 | 45.321 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | X | 629 | HIS | 0 | -0.023 | -0.023 | 48.131 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | X | 630 | SER | 0 | 0.063 | 0.028 | 49.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | X | 631 | ARG | 1 | 0.941 | 0.961 | 51.558 | 5.509 | 5.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | X | 632 | LYS | 1 | 0.905 | 0.937 | 52.042 | 5.783 | 5.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | X | 633 | GLY | 0 | 0.057 | 0.034 | 49.233 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | X | 634 | LYS | 1 | 0.889 | 0.967 | 48.562 | 6.235 | 6.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | X | 635 | ILE | 0 | -0.023 | 0.001 | 42.301 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | X | 636 | ILE | 0 | 0.021 | 0.017 | 41.717 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | X | 637 | THR | 0 | -0.009 | -0.018 | 40.587 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | X | 638 | ARG | 1 | 0.892 | 0.953 | 36.732 | 8.122 | 8.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | X | 639 | ALA | 0 | -0.016 | -0.009 | 40.187 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | X | 640 | GLN | 0 | 0.037 | 0.019 | 34.900 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | X | 641 | VAL | 0 | -0.021 | -0.018 | 39.794 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | X | 642 | SER | 0 | -0.008 | -0.008 | 40.167 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | X | 643 | ASP | -1 | -0.851 | -0.910 | 42.298 | -6.469 | -6.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | X | 644 | ARG | 1 | 0.863 | 0.927 | 33.670 | 8.253 | 8.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | X | 645 | PRO | 0 | -0.002 | 0.018 | 41.381 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | X | 646 | ASN | 0 | 0.089 | 0.060 | 43.719 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | X | 647 | LYS | 1 | 0.860 | 0.912 | 47.337 | 5.620 | 5.620 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | X | 648 | GLY | 0 | 0.004 | -0.005 | 50.299 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | X | 649 | ALA | 0 | -0.030 | -0.006 | 46.906 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | X | 650 | ILE | 0 | -0.015 | 0.000 | 44.639 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | X | 651 | TYR | 0 | -0.008 | -0.037 | 40.423 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | X | 652 | MET | 0 | 0.014 | 0.025 | 39.777 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | X | 653 | THR | 0 | 0.001 | -0.003 | 33.429 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | X | 654 | TYR | 0 | -0.028 | -0.017 | 35.016 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | X | 655 | GLN | 0 | -0.087 | -0.065 | 30.180 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | X | 656 | TRP | 0 | -0.007 | 0.012 | 30.331 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | X | 657 | TRP | -1 | -0.821 | -0.891 | 29.767 | -8.264 | -8.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | X | 676 | PRO | 1 | 0.866 | 0.908 | 46.341 | 6.404 | 6.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | X | 677 | GLU | -1 | -0.713 | -0.848 | 46.328 | -6.146 | -6.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | X | 678 | TYR | 0 | -0.002 | 0.002 | 40.824 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | X | 679 | LYS | 1 | 0.773 | 0.888 | 38.651 | 7.530 | 7.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | X | 680 | TYR | 0 | 0.064 | 0.027 | 44.619 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | X | 681 | CYS | 0 | -0.003 | 0.016 | 47.654 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | X | 682 | ALA | 0 | -0.008 | 0.015 | 49.619 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | X | 683 | VAL | 0 | -0.035 | -0.043 | 48.309 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | X | 684 | ARG | 1 | 0.832 | 0.915 | 51.588 | 5.499 | 5.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | X | 685 | VAL | 0 | -0.020 | -0.015 | 47.895 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | X | 686 | GLU | -1 | -0.775 | -0.877 | 50.336 | -5.535 | -5.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | X | 687 | PRO | 0 | 0.014 | 0.022 | 48.943 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | X | 688 | ILE | 0 | -0.042 | -0.014 | 45.998 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | X | 689 | ALA | 0 | 0.007 | 0.009 | 49.369 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | X | 690 | ASP | -1 | -0.869 | -0.944 | 48.919 | -6.266 | -6.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | X | 691 | GLN | 0 | 0.022 | -0.011 | 44.674 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | X | 692 | ARG | 1 | 0.948 | 0.981 | 44.450 | 6.182 | 6.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | X | 693 | ALA | 0 | 0.013 | 0.009 | 44.611 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | X | 694 | ALA | 0 | -0.035 | -0.010 | 44.717 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | X | 695 | GLU | -1 | -0.792 | -0.905 | 39.267 | -7.750 | -7.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | X | 696 | GLN | 0 | -0.101 | -0.050 | 40.339 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | X | 697 | TYR | 0 | 0.013 | 0.007 | 41.465 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | X | 698 | VAL | 0 | 0.017 | 0.004 | 37.370 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | X | 699 | ILE | 0 | -0.008 | -0.002 | 36.391 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | X | 700 | ASP | -1 | -0.874 | -0.931 | 37.459 | -7.492 | -7.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | X | 701 | GLU | -1 | -0.860 | -0.925 | 39.534 | -7.300 | -7.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | X | 702 | TYR | 0 | 0.011 | 0.014 | 29.329 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | X | 703 | ASN | 0 | 0.006 | -0.003 | 34.523 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | X | 704 | LYS | 1 | 0.832 | 0.922 | 35.920 | 7.011 | 7.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | X | 705 | LEU | 0 | -0.039 | -0.006 | 34.266 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | X | 706 | LYS | 1 | 0.900 | 0.944 | 27.543 | 10.453 | 10.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | X | 707 | THR | 0 | -0.062 | -0.043 | 32.489 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | X | 708 | ARG | 1 | 0.938 | 0.968 | 34.577 | 8.198 | 8.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | X | 709 | LEU | 0 | -0.038 | -0.020 | 31.472 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | X | 710 | ARG | 1 | 0.848 | 0.908 | 26.782 | 10.464 | 10.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | X | 711 | GLU | -1 | -0.923 | -0.974 | 31.483 | -8.397 | -8.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | X | 712 | ALA | 0 | -0.049 | -0.022 | 33.877 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | X | 713 | ALA | 0 | -0.039 | -0.024 | 29.055 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | X | 714 | LEU | 0 | -0.105 | -0.046 | 29.264 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | X | 715 | ALA | -1 | -0.885 | -0.932 | 31.646 | -9.007 | -9.007 | 0.000 | 0.000 | 0.000 | 0.000 |