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: YV3R2
Calculation Name: 2P5O-D-Xray372
Preferred Name:
Target Type:
Ligand Name: 1',2'-dideoxyribofuranose-5'-phosphate
Ligand 3-letter code: 3DR
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2P5O
Chain ID: D
UniProt ID: Q38087
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 670 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -15916959.122687 |
|---|---|
| FMO2-HF: Nuclear repulsion | 15641523.256751 |
| FMO2-HF: Total energy | -275435.865936 |
| FMO2-MP2: Total energy | -276237.495607 |
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(D:1:MET)
Summations of interaction energy for
fragment #1(D: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. |
| -7.264 | -5.611 | 6.212 | -2.286 | -5.58 | 0.01 |
Interaction energy analysis for fragmet #1(D: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 | D | 3 | GLU | -1 | -0.817 | -0.878 | 3.869 | -0.316 | 1.318 | -0.009 | -0.756 | -0.868 | 0.001 |
| 4 | D | 4 | PHE | 0 | -0.003 | -0.019 | 3.969 | 0.063 | 0.524 | 0.008 | -0.160 | -0.310 | 0.001 |
| 5 | D | 5 | TYR | 0 | 0.008 | 0.004 | 8.489 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | D | 6 | LEU | 0 | -0.048 | -0.006 | 12.337 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | D | 7 | THR | 0 | -0.068 | -0.052 | 15.183 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | D | 8 | VAL | 0 | 0.074 | 0.033 | 16.596 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | D | 9 | GLU | -1 | -0.863 | -0.926 | 19.709 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | D | 10 | GLN | 0 | 0.025 | 0.027 | 23.487 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | D | 11 | ILE | 0 | -0.073 | -0.046 | 25.580 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | D | 12 | GLY | 0 | -0.032 | -0.003 | 28.243 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | D | 13 | ASP | -1 | -0.794 | -0.904 | 29.159 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | D | 14 | SER | 0 | 0.025 | 0.018 | 25.767 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | D | 15 | ILE | 0 | -0.084 | -0.057 | 21.070 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | D | 16 | PHE | 0 | 0.065 | 0.042 | 21.130 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | D | 17 | GLH | 0 | 0.001 | 0.008 | 15.564 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | D | 18 | ARG | 1 | 0.851 | 0.908 | 15.957 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | D | 19 | TYR | -1 | -0.754 | -0.870 | 11.862 | 0.716 | 0.716 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | D | 20 | ILE | 0 | -0.104 | -0.046 | 6.833 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | D | 21 | ASP | -1 | -0.779 | -0.879 | 8.597 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | D | 22 | SER | 0 | -0.017 | -0.020 | 5.474 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | D | 23 | ASN | 0 | -0.059 | -0.015 | 4.786 | -0.735 | -0.716 | -0.001 | -0.002 | -0.015 | 0.000 |
| 24 | D | 24 | GLY | 0 | 0.030 | -0.008 | 6.780 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | D | 25 | ARG | 1 | 0.798 | 0.903 | 9.277 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | D | 26 | GLU | -1 | -0.727 | -0.847 | 10.766 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | D | 27 | ARG | 1 | 0.853 | 0.922 | 12.626 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | D | 28 | THR | 0 | 0.009 | -0.010 | 15.938 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | D | 29 | ARG | 0 | 0.008 | 0.007 | 12.603 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | D | 30 | GLU | -1 | -0.947 | -0.969 | 20.029 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | D | 31 | VAL | 0 | 0.028 | 0.023 | 19.739 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | D | 32 | GLU | -1 | -0.821 | -0.893 | 23.047 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | D | 33 | TYR | 0 | -0.021 | -0.029 | 20.116 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | D | 34 | LYS | 1 | 0.771 | 0.858 | 23.640 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | D | 35 | PRO | 0 | 0.014 | 0.027 | 24.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | D | 36 | SER | 0 | -0.018 | -0.026 | 24.751 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | D | 37 | LEU | 0 | -0.048 | 0.002 | 26.423 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | D | 38 | PHE | 0 | 0.037 | -0.010 | 24.908 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | D | 39 | ALA | 0 | 0.014 | 0.005 | 30.874 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | D | 40 | HIS | 0 | -0.024 | -0.025 | 33.837 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | D | 41 | CYS | 0 | -0.070 | -0.021 | 35.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | D | 42 | PRO | 0 | 0.034 | 0.027 | 37.135 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | D | 43 | GLU | -1 | -0.814 | -0.923 | 36.495 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | D | 44 | SER | 0 | -0.038 | -0.010 | 37.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | D | 45 | GLN | 0 | -0.029 | -0.022 | 35.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | D | 46 | ALA | 0 | 0.001 | -0.002 | 33.399 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | D | 47 | THR | 0 | -0.006 | -0.005 | 29.118 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | D | 48 | LYS | 1 | 0.861 | 0.924 | 22.690 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | D | 49 | TYR | 0 | 0.027 | 0.020 | 24.013 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | D | 50 | PHE | 0 | 0.022 | 0.022 | 27.821 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | D | 51 | ASP | -1 | -0.661 | -0.818 | 28.034 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | D | 52 | ILE | 0 | 0.001 | -0.008 | 27.553 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | D | 53 | TYR | 0 | -0.006 | -0.008 | 29.213 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | D | 54 | GLY | 0 | 0.018 | 0.015 | 31.239 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | D | 55 | LYS | 1 | 0.835 | 0.919 | 32.228 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | D | 56 | PRO | 0 | 0.023 | 0.019 | 32.839 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | D | 57 | CYS | 0 | -0.054 | -0.036 | 30.574 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | D | 58 | THR | 0 | 0.048 | 0.023 | 30.982 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | D | 59 | ARG | 1 | 0.906 | 0.952 | 25.318 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | D | 60 | LYS | 1 | 0.898 | 0.966 | 29.870 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | D | 61 | LEU | 0 | 0.015 | -0.003 | 26.991 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | D | 62 | PHE | 0 | 0.007 | -0.001 | 28.995 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | D | 63 | ALA | 0 | 0.025 | 0.008 | 29.073 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | D | 64 | ASN | 0 | -0.002 | 0.010 | 30.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | D | 65 | MET | 0 | 0.044 | 0.022 | 26.113 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | D | 66 | ARG | 1 | 0.811 | 0.883 | 29.210 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | D | 67 | ASP | -1 | -0.836 | -0.905 | 31.908 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | D | 68 | ALA | 0 | 0.009 | 0.006 | 30.414 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | D | 69 | SER | 0 | -0.002 | -0.007 | 31.632 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | D | 70 | GLN | 0 | 0.009 | 0.005 | 33.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | D | 71 | TRP | 0 | 0.011 | 0.003 | 32.692 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | D | 72 | ILE | 0 | 0.020 | -0.002 | 30.479 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | D | 73 | LYS | 1 | 0.791 | 0.894 | 35.135 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | D | 74 | ARG | 1 | 0.930 | 0.956 | 37.960 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | D | 75 | MET | 0 | -0.044 | -0.010 | 37.135 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | D | 76 | GLU | -1 | -0.854 | -0.938 | 37.203 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | D | 77 | ASP | -1 | -0.899 | -0.939 | 40.289 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | D | 78 | ILE | 0 | -0.065 | -0.020 | 43.120 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | D | 79 | GLY | 0 | 0.025 | 0.019 | 42.883 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | D | 80 | LEU | 0 | -0.068 | -0.037 | 39.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | D | 81 | GLU | -1 | -0.810 | -0.897 | 34.088 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | D | 82 | ALA | 0 | -0.041 | -0.019 | 33.855 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | D | 83 | LEU | 0 | -0.010 | 0.001 | 30.314 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | D | 84 | GLY | 0 | -0.011 | -0.001 | 26.864 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | D | 85 | MET | 0 | -0.052 | -0.006 | 22.183 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | D | 86 | ASP | -1 | -0.796 | -0.901 | 25.802 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | D | 87 | ASP | -1 | -0.810 | -0.914 | 23.495 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | D | 88 | PHE | 0 | 0.002 | -0.002 | 23.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | D | 89 | LYS | 1 | 0.808 | 0.884 | 20.962 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | D | 90 | LEU | 0 | 0.046 | 0.012 | 18.705 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | D | 91 | ALA | 0 | -0.050 | -0.009 | 18.507 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | D | 92 | TYR | -1 | -0.862 | -0.944 | 18.306 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | D | 93 | LEU | 0 | 0.053 | 0.040 | 13.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | D | 94 | SER | 0 | -0.036 | -0.022 | 13.728 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | D | 95 | ASP | -1 | -0.892 | -0.915 | 15.807 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | D | 96 | THR | 0 | -0.011 | -0.017 | 13.200 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | D | 97 | TYR | 0 | -0.063 | -0.046 | 8.135 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | D | 98 | ASN | 0 | 0.061 | 0.030 | 10.868 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | D | 99 | TYR | 0 | 0.028 | 0.011 | 5.886 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | D | 100 | GLU | -1 | -0.801 | -0.899 | 6.196 | 3.017 | 3.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | D | 101 | ILE | 0 | 0.013 | 0.027 | 5.673 | 1.692 | 1.808 | -0.001 | -0.003 | -0.112 | 0.000 |
| 102 | D | 102 | LYS | 1 | 0.783 | 0.873 | 2.650 | -8.532 | -9.146 | 6.216 | -1.343 | -4.260 | 0.008 |
| 103 | D | 103 | TYR | 0 | 0.040 | 0.005 | 4.652 | -0.981 | -0.944 | -0.001 | -0.022 | -0.015 | 0.000 |
| 104 | D | 104 | ASP | -1 | -0.790 | -0.861 | 5.711 | 1.184 | 1.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | D | 105 | HIS | 0 | 0.093 | 0.048 | 7.521 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | D | 106 | THR | 0 | -0.062 | -0.041 | 8.934 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | D | 107 | LYS | 1 | 0.856 | 0.935 | 4.938 | -0.860 | -0.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | D | 108 | ILE | 0 | 0.002 | 0.015 | 10.247 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | D | 109 | ARG | 1 | 0.846 | 0.913 | 13.083 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | D | 191 | PHE | 0 | -0.069 | -0.058 | 35.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | D | 192 | ASP | -1 | -0.861 | -0.908 | 41.540 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | D | 193 | ASN | 0 | 0.005 | -0.002 | 44.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | D | 194 | GLU | -1 | -0.818 | -0.904 | 43.801 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | D | 195 | LYS | 1 | 0.832 | 0.919 | 42.087 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | D | 196 | GLU | -1 | -0.774 | -0.897 | 41.315 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | D | 197 | LEU | 0 | -0.067 | -0.031 | 38.313 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | D | 198 | LEU | 0 | -0.053 | -0.026 | 37.638 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | D | 199 | MET | 0 | -0.007 | -0.002 | 36.686 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | D | 200 | GLU | -1 | -0.767 | -0.889 | 35.462 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | D | 201 | TYR | 0 | -0.041 | -0.012 | 32.834 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | D | 202 | LEU | 0 | -0.015 | -0.022 | 32.280 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | D | 203 | ASN | 0 | -0.068 | -0.046 | 31.523 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | D | 204 | PHE | 0 | 0.017 | 0.007 | 26.966 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | D | 205 | TRP | 0 | 0.024 | 0.001 | 25.971 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | D | 206 | GLN | 0 | -0.013 | -0.010 | 25.662 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | D | 207 | GLN | 0 | 0.031 | 0.033 | 23.040 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | D | 208 | LYS | 1 | 0.848 | 0.911 | 21.939 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | D | 209 | THR | 0 | 0.018 | 0.031 | 21.543 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | D | 210 | PRO | 0 | 0.011 | 0.012 | 21.134 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | D | 211 | VAL | 0 | 0.047 | 0.023 | 16.356 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | D | 212 | ILE | 0 | 0.040 | 0.015 | 16.401 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | D | 213 | LEU | 0 | -0.035 | 0.011 | 20.724 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | D | 214 | THR | 0 | 0.008 | -0.022 | 22.711 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | D | 215 | GLY | 0 | -0.013 | -0.015 | 25.219 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | D | 216 | TRP | 0 | 0.031 | -0.003 | 28.171 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | D | 217 | ASN | 0 | -0.044 | -0.021 | 31.358 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | D | 218 | VAL | 0 | -0.004 | -0.012 | 29.231 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | D | 219 | GLU | -1 | -0.884 | -0.955 | 28.443 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | D | 220 | SER | 0 | -0.015 | -0.017 | 31.752 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | D | 221 | PHE | 0 | 0.004 | 0.009 | 35.250 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | D | 222 | ALA | 0 | -0.011 | 0.018 | 33.116 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | D | 223 | ILE | 0 | 0.030 | 0.008 | 28.855 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | D | 224 | PRO | 0 | 0.010 | 0.007 | 33.341 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | D | 225 | TYR | 0 | 0.030 | 0.021 | 36.646 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | D | 226 | VAL | 0 | -0.004 | -0.008 | 33.499 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | D | 227 | TYR | 0 | 0.053 | 0.028 | 34.464 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | D | 228 | ASN | 0 | -0.026 | -0.035 | 36.765 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | D | 229 | ARG | 1 | 0.836 | 0.916 | 39.696 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | D | 230 | ILE | 0 | -0.014 | -0.009 | 34.779 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | D | 231 | LYS | 1 | 0.784 | 0.897 | 38.930 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | D | 232 | ASN | 0 | -0.030 | -0.018 | 40.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | D | 233 | ILE | 0 | 0.031 | 0.019 | 44.046 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | D | 234 | PHE | 0 | 0.022 | 0.002 | 37.073 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | D | 235 | GLY | 0 | 0.037 | 0.026 | 41.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | D | 236 | GLU | -1 | -0.841 | -0.909 | 39.930 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | D | 237 | SER | 0 | 0.056 | 0.013 | 37.723 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | D | 238 | THR | 0 | 0.027 | 0.003 | 36.225 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | D | 239 | ALA | 0 | 0.037 | 0.027 | 35.246 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | D | 240 | LYS | 1 | 0.878 | 0.962 | 32.647 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | D | 241 | ARG | 1 | 0.861 | 0.936 | 30.107 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | D | 242 | LEU | 0 | 0.007 | 0.013 | 27.007 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | D | 243 | SER | 0 | 0.048 | 0.003 | 26.249 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | D | 244 | PRO | 0 | -0.002 | 0.027 | 21.987 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | D | 245 | HIS | 0 | -0.001 | -0.014 | 21.171 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | D | 246 | ARG | 1 | 0.786 | 0.907 | 26.246 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | D | 247 | LYS | 1 | 0.930 | 0.982 | 29.285 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | D | 248 | THR | 0 | 0.032 | 0.006 | 29.965 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | D | 249 | ARG | 1 | 0.869 | 0.938 | 30.812 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | D | 250 | VAL | 0 | 0.045 | 0.035 | 34.128 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | D | 251 | LYS | 1 | 0.926 | 0.968 | 33.036 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | D | 252 | VAL | 0 | 0.092 | 0.056 | 37.018 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | D | 261 | GLU | -1 | -0.793 | -0.891 | 37.153 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | D | 262 | ILE | 0 | -0.064 | -0.069 | 32.406 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | D | 263 | ILE | 0 | -0.070 | -0.015 | 33.628 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | D | 264 | THR | 0 | -0.001 | -0.007 | 28.037 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | D | 265 | LEU | 0 | -0.045 | -0.034 | 27.355 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | D | 266 | PHE | 0 | 0.004 | -0.009 | 26.284 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | D | 267 | GLY | 0 | 0.056 | 0.021 | 22.590 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | D | 268 | ILE | 0 | -0.048 | -0.021 | 21.914 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | D | 269 | SER | 0 | -0.016 | -0.008 | 19.900 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | D | 270 | VAL | 0 | -0.050 | -0.021 | 22.375 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | D | 271 | LEU | 0 | 0.074 | 0.022 | 20.818 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | D | 272 | ASP | -1 | -0.772 | -0.859 | 25.189 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | D | 273 | TYR | 0 | -0.005 | -0.045 | 23.738 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | D | 274 | ILE | 0 | -0.051 | -0.007 | 27.883 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | D | 275 | ASP | -1 | -0.819 | -0.914 | 28.748 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | D | 276 | LEU | 0 | 0.010 | 0.008 | 22.550 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | D | 277 | TYR | 0 | -0.007 | -0.033 | 26.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | D | 278 | LYS | 1 | 0.840 | 0.902 | 28.924 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | D | 279 | LYS | 1 | 0.835 | 0.915 | 26.932 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | D | 280 | PHE | 0 | 0.031 | 0.025 | 20.850 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | D | 281 | SER | 0 | -0.012 | -0.002 | 26.616 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | D | 282 | PHE | 0 | 0.001 | 0.014 | 24.430 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | D | 283 | THR | 0 | -0.033 | -0.026 | 30.495 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | D | 284 | ASN | 0 | 0.018 | 0.029 | 33.690 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | D | 285 | GLN | 0 | 0.017 | 0.014 | 34.633 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | D | 286 | PRO | 0 | 0.009 | 0.013 | 37.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | D | 287 | SER | 0 | -0.022 | -0.010 | 40.032 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | D | 288 | TYR | 0 | 0.033 | -0.010 | 33.928 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | D | 289 | SER | 0 | 0.010 | 0.002 | 37.970 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | D | 290 | LEU | 0 | -0.009 | 0.004 | 32.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | D | 291 | ASP | -1 | -0.827 | -0.934 | 35.532 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | D | 292 | TYR | 0 | 0.053 | 0.036 | 37.554 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | D | 293 | ILE | 0 | -0.054 | -0.021 | 33.553 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | D | 294 | SER | 0 | 0.002 | -0.009 | 33.528 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | D | 295 | GLU | -1 | -0.864 | -0.921 | 34.499 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | D | 296 | PHE | 0 | -0.026 | -0.006 | 33.925 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | D | 297 | GLU | -1 | -0.777 | -0.842 | 30.819 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | D | 298 | LEU | 0 | 0.018 | 0.003 | 30.123 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | D | 299 | ASN | 0 | -0.055 | -0.020 | 34.286 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | D | 300 | VAL | 0 | 0.005 | 0.015 | 34.696 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | D | 301 | GLY | 0 | -0.019 | -0.028 | 37.938 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | D | 302 | LYS | 1 | 0.827 | 0.905 | 38.106 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | D | 303 | LEU | 0 | -0.001 | 0.008 | 39.103 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | D | 304 | LYS | 1 | 0.955 | 0.991 | 41.898 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | D | 305 | TYR | 0 | -0.020 | -0.011 | 43.649 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | D | 306 | ASP | -1 | -0.867 | -0.927 | 47.574 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | D | 307 | GLY | 0 | -0.010 | -0.018 | 50.027 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | D | 308 | PRO | 0 | 0.027 | 0.016 | 48.875 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | D | 309 | ILE | 0 | 0.071 | 0.015 | 43.186 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | D | 310 | SER | 0 | -0.007 | -0.010 | 47.067 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | D | 311 | LYS | 1 | 0.900 | 0.955 | 50.002 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | D | 312 | LEU | 0 | -0.018 | -0.005 | 44.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | D | 313 | ARG | 1 | 0.841 | 0.889 | 46.292 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | D | 314 | GLU | -1 | -0.841 | -0.880 | 47.985 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | D | 315 | SER | 0 | 0.005 | -0.001 | 51.723 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | D | 316 | ASN | 0 | -0.039 | -0.015 | 47.267 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | D | 317 | HIS | 0 | 0.095 | 0.059 | 45.990 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | D | 318 | GLN | 0 | 0.092 | 0.037 | 43.299 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | D | 319 | ARG | 1 | 0.881 | 0.933 | 43.513 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | D | 320 | TYR | 0 | 0.052 | 0.028 | 42.153 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | D | 321 | ILE | 0 | 0.033 | 0.013 | 39.835 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | D | 322 | SER | 0 | -0.013 | -0.008 | 38.561 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | D | 323 | TYR | 0 | -0.045 | -0.034 | 38.005 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | D | 324 | ASN | 0 | -0.023 | 0.002 | 35.707 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | D | 325 | ILE | 0 | 0.065 | 0.026 | 32.461 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | D | 326 | ILE | 0 | -0.033 | -0.006 | 33.162 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | D | 327 | ALA | 0 | 0.055 | 0.030 | 34.020 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | D | 328 | VAL | 0 | 0.019 | 0.009 | 29.219 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | D | 329 | TYR | 0 | -0.002 | 0.000 | 27.692 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | D | 330 | ARG | 1 | 0.865 | 0.928 | 29.283 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | D | 331 | VAL | 0 | 0.022 | 0.016 | 26.609 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | D | 332 | LEU | 0 | 0.007 | 0.008 | 23.707 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | D | 333 | GLN | 0 | -0.004 | -0.002 | 25.079 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | D | 334 | ILE | 0 | 0.000 | 0.001 | 27.293 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | D | 335 | ASP | -1 | -0.762 | -0.871 | 21.029 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | D | 336 | ALA | 0 | -0.021 | 0.003 | 22.516 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | D | 337 | LYS | 1 | 0.820 | 0.914 | 23.537 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | D | 338 | ARG | 1 | 0.800 | 0.878 | 24.526 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | D | 339 | GLN | 0 | -0.014 | -0.016 | 17.954 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | D | 340 | PHE | 0 | 0.038 | 0.025 | 19.627 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | D | 341 | ILE | 0 | -0.028 | 0.007 | 17.811 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | D | 342 | ASN | 0 | 0.013 | -0.010 | 13.893 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | D | 343 | LEU | 0 | 0.006 | 0.015 | 15.217 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | D | 344 | SER | 0 | -0.028 | -0.032 | 16.867 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | D | 345 | LEU | 0 | -0.031 | -0.012 | 12.868 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | D | 346 | ASP | -1 | -0.781 | -0.859 | 12.097 | 1.679 | 1.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | D | 347 | MET | 0 | -0.014 | 0.000 | 13.180 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | D | 348 | GLY | 0 | -0.001 | -0.001 | 15.064 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | D | 349 | TYR | 0 | -0.045 | -0.046 | 9.409 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | D | 350 | TYR | 0 | -0.015 | -0.002 | 11.083 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | D | 351 | ALA | 0 | -0.023 | -0.019 | 12.454 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | D | 352 | LYS | 1 | 0.808 | 0.914 | 11.113 | -1.106 | -1.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | D | 353 | ILE | 0 | -0.021 | 0.016 | 14.125 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | D | 354 | GLN | 0 | 0.020 | 0.007 | 16.078 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | D | 355 | ILE | 0 | 0.046 | 0.020 | 14.993 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | D | 356 | GLN | 0 | 0.074 | 0.032 | 18.344 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | D | 357 | SER | 0 | -0.043 | -0.019 | 20.693 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | D | 358 | VAL | 0 | 0.030 | 0.028 | 18.784 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | D | 359 | PHE | 0 | -0.015 | -0.007 | 21.575 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | D | 360 | SER | 0 | -0.044 | -0.016 | 24.484 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | D | 361 | PRO | 0 | 0.042 | 0.018 | 24.631 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | D | 362 | ILE | 0 | -0.001 | 0.007 | 25.406 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | D | 363 | LYS | 1 | 0.884 | 0.931 | 23.440 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | D | 364 | THR | 0 | 0.026 | 0.000 | 19.559 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | D | 365 | TRP | 0 | 0.029 | -0.003 | 20.669 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | D | 366 | ASP | -1 | -0.904 | -0.959 | 22.226 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | D | 367 | ALA | 0 | 0.027 | 0.010 | 18.741 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | D | 368 | ILE | 0 | 0.029 | 0.031 | 17.132 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | D | 369 | ILE | 0 | 0.009 | 0.006 | 18.485 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | D | 370 | PHE | 0 | -0.005 | -0.008 | 19.969 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | D | 371 | ASN | 0 | -0.025 | -0.018 | 15.263 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | D | 372 | SER | 0 | 0.011 | -0.008 | 17.083 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | D | 373 | LEU | 0 | -0.036 | -0.022 | 18.020 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | D | 374 | LYS | 1 | 0.836 | 0.912 | 18.083 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | D | 375 | GLU | -1 | -0.970 | -0.979 | 12.880 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | D | 376 | GLN | 0 | -0.051 | -0.029 | 17.216 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | D | 377 | ASN | 0 | -0.066 | -0.023 | 19.467 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | D | 378 | LYS | 1 | 0.854 | 0.946 | 22.304 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | D | 379 | VAL | 0 | -0.019 | -0.016 | 24.034 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | D | 380 | ILE | 0 | -0.011 | -0.003 | 24.247 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | D | 381 | PRO | 0 | 0.054 | 0.031 | 27.274 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | D | 382 | GLN | 0 | 0.015 | 0.002 | 30.262 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | D | 383 | GLY | 0 | -0.013 | -0.002 | 32.109 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | D | 384 | ARG | 1 | 0.835 | 0.904 | 32.600 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | D | 385 | SER | 0 | 0.005 | 0.010 | 35.475 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | D | 386 | HIS | 0 | -0.014 | -0.022 | 35.823 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | D | 387 | PRO | 0 | 0.002 | 0.009 | 40.304 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | D | 388 | VAL | 0 | 0.016 | -0.012 | 40.418 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | D | 389 | GLN | 0 | 0.001 | 0.005 | 41.931 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | D | 390 | PRO | 0 | -0.011 | 0.001 | 43.069 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | D | 391 | TYR | 0 | -0.010 | -0.005 | 41.532 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | D | 392 | PRO | 0 | 0.016 | 0.004 | 42.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | D | 393 | GLY | 0 | -0.027 | -0.004 | 43.260 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | D | 394 | ALA | 0 | 0.018 | -0.002 | 42.414 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | D | 395 | PHE | 0 | -0.036 | -0.014 | 44.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | D | 396 | VAL | 0 | -0.024 | 0.001 | 45.406 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | D | 397 | LYS | 1 | 0.833 | 0.905 | 47.317 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | D | 398 | GLU | -1 | -0.800 | -0.893 | 50.208 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | D | 399 | PRO | 0 | -0.025 | 0.011 | 50.585 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | D | 400 | ILE | 0 | 0.033 | 0.007 | 53.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | D | 401 | PRO | 0 | -0.018 | 0.002 | 55.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | D | 402 | ASN | 0 | -0.006 | -0.015 | 56.305 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | D | 403 | ARG | 1 | 0.858 | 0.917 | 56.092 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | D | 404 | TYR | 0 | 0.008 | -0.007 | 53.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | D | 405 | LYS | 1 | 0.835 | 0.902 | 54.444 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | D | 406 | TYR | 0 | -0.023 | -0.056 | 51.930 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | D | 407 | VAL | 0 | -0.021 | -0.008 | 47.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | D | 408 | MET | 0 | -0.037 | 0.000 | 44.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | D | 409 | SER | 0 | -0.038 | -0.043 | 41.522 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | D | 410 | PHE | 0 | -0.033 | -0.027 | 39.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | D | 411 | ASP | -1 | -0.871 | -0.942 | 34.231 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | D | 412 | LEU | 0 | -0.043 | -0.003 | 36.254 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | D | 413 | THR | 0 | 0.050 | 0.008 | 31.003 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | D | 414 | SER | 0 | -0.047 | -0.020 | 29.054 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | D | 415 | LEU | 0 | 0.037 | 0.034 | 30.818 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | D | 416 | TYR | 0 | 0.008 | -0.003 | 32.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | D | 417 | PRO | 0 | -0.004 | -0.013 | 27.027 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | D | 418 | SER | 0 | 0.046 | 0.031 | 29.138 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | D | 419 | ILE | 0 | 0.007 | 0.014 | 30.730 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | D | 420 | ILE | 0 | -0.037 | -0.018 | 28.655 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | D | 421 | ARG | 1 | 0.897 | 0.950 | 25.351 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | D | 422 | GLN | 0 | -0.015 | 0.006 | 29.612 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | D | 423 | VAL | 0 | -0.003 | -0.005 | 33.005 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | D | 424 | ASN | 0 | 0.011 | 0.018 | 30.326 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | D | 425 | ILE | 0 | -0.010 | 0.027 | 32.152 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | D | 426 | SER | 0 | -0.014 | -0.049 | 29.538 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | D | 427 | PRO | 0 | -0.010 | -0.011 | 30.447 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | D | 428 | GLU | -1 | -0.794 | -0.864 | 29.830 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | D | 429 | THR | 0 | 0.008 | 0.003 | 31.414 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | D | 430 | ILE | 0 | -0.043 | -0.005 | 34.051 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | D | 431 | ALA | 0 | 0.024 | 0.018 | 37.460 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | D | 432 | GLY | 0 | -0.021 | -0.009 | 40.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | D | 433 | THR | 0 | -0.040 | -0.032 | 43.286 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | D | 434 | PHE | 0 | 0.018 | 0.011 | 44.220 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | D | 435 | LYS | 1 | 0.814 | 0.891 | 48.582 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | D | 436 | VAL | 0 | -0.009 | 0.007 | 48.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | D | 437 | ALA | 0 | 0.010 | 0.013 | 50.620 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | D | 438 | PRO | 0 | 0.011 | 0.008 | 51.014 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | D | 439 | LEU | 0 | 0.031 | 0.000 | 46.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | D | 440 | HIS | 0 | -0.030 | -0.030 | 49.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | D | 441 | ASP | -1 | -0.803 | -0.902 | 52.561 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | D | 442 | TYR | 0 | -0.012 | 0.003 | 47.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | D | 443 | ILE | 0 | -0.007 | -0.008 | 46.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | D | 444 | ASN | 0 | 0.004 | 0.001 | 48.905 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | D | 445 | ALA | 0 | -0.050 | -0.019 | 49.903 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | D | 446 | VAL | 0 | -0.016 | 0.004 | 51.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | D | 447 | ALA | 0 | -0.020 | 0.000 | 51.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | D | 448 | GLU | -1 | -0.783 | -0.872 | 51.409 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | D | 449 | ARG | 1 | 0.829 | 0.871 | 44.409 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | D | 450 | PRO | 0 | -0.046 | -0.009 | 45.254 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | D | 451 | SER | 0 | 0.018 | -0.012 | 44.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | D | 452 | ASP | -1 | -0.795 | -0.854 | 45.261 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | D | 453 | VAL | 0 | -0.083 | -0.043 | 42.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | D | 454 | TYR | 0 | -0.032 | -0.033 | 39.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | D | 455 | SER | 0 | 0.027 | 0.023 | 36.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | D | 456 | CYS | 0 | -0.041 | -0.025 | 38.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | D | 457 | SER | 0 | 0.040 | -0.009 | 39.503 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | D | 458 | PRO | 0 | 0.046 | 0.009 | 41.513 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | D | 459 | ASN | 0 | -0.016 | 0.006 | 41.590 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | D | 460 | GLY | 0 | 0.019 | 0.008 | 44.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | D | 461 | MET | 0 | -0.063 | -0.014 | 39.212 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | D | 462 | MET | 0 | -0.015 | 0.003 | 40.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | D | 463 | TYR | 0 | -0.016 | -0.028 | 35.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | D | 464 | TYR | 0 | -0.017 | -0.019 | 35.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | D | 465 | LYS | 1 | 0.899 | 0.961 | 34.553 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | D | 466 | ASP | -1 | -0.863 | -0.923 | 33.806 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | D | 467 | ARG | 1 | 0.836 | 0.902 | 31.142 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | D | 468 | ASP | -1 | -0.827 | -0.897 | 26.562 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | D | 469 | GLY | 0 | 0.032 | 0.001 | 27.548 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | D | 470 | VAL | 0 | -0.037 | -0.028 | 24.544 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | D | 471 | VAL | 0 | 0.020 | 0.006 | 24.404 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | D | 472 | PRO | 0 | 0.014 | 0.019 | 24.924 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | D | 473 | THR | 0 | 0.018 | 0.019 | 21.555 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | D | 474 | GLU | -1 | -0.833 | -0.872 | 18.207 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | D | 475 | ILE | 0 | -0.011 | -0.017 | 20.381 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | D | 476 | THR | 0 | -0.008 | -0.026 | 22.029 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | D | 477 | LYS | 1 | 0.837 | 0.915 | 16.084 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | D | 478 | VAL | 0 | 0.003 | -0.001 | 17.801 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | D | 479 | PHE | 0 | -0.014 | -0.015 | 19.011 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | D | 480 | ASN | 0 | -0.068 | -0.012 | 17.812 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | D | 481 | GLN | 0 | -0.050 | -0.029 | 12.729 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | D | 537 | SER | 0 | 0.012 | -0.015 | 24.381 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | D | 538 | LEU | 0 | 0.031 | 0.038 | 19.828 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | D | 539 | ASN | 0 | 0.033 | 0.001 | 19.734 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | D | 540 | GLU | -1 | -0.895 | -0.962 | 15.257 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | D | 541 | MET | 0 | -0.001 | 0.000 | 15.363 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | D | 542 | LEU | 0 | 0.045 | 0.031 | 16.499 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | D | 543 | PHE | 0 | -0.031 | -0.016 | 16.076 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | D | 544 | ARG | 1 | 0.882 | 0.934 | 9.993 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | D | 545 | ALA | 0 | 0.066 | 0.043 | 12.980 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | D | 546 | GLN | 0 | 0.028 | 0.015 | 15.368 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | D | 547 | ARG | 1 | 0.790 | 0.876 | 7.512 | -1.682 | -1.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | D | 548 | THR | 0 | -0.048 | -0.043 | 9.745 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | D | 549 | GLU | -1 | -0.853 | -0.916 | 12.287 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | D | 550 | VAL | 0 | -0.051 | -0.017 | 13.029 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | D | 551 | ALA | 0 | -0.052 | -0.047 | 12.289 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | D | 552 | GLY | 0 | 0.062 | 0.036 | 14.372 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | D | 553 | MET | 0 | 0.016 | 0.021 | 16.897 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | D | 554 | THR | 0 | -0.021 | -0.024 | 16.360 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | D | 555 | ALA | 0 | 0.021 | 0.022 | 13.529 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | D | 556 | GLN | 0 | -0.001 | 0.003 | 15.540 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | D | 557 | ILE | 0 | 0.047 | 0.014 | 17.249 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | D | 558 | ASN | 0 | -0.080 | -0.065 | 15.857 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | D | 559 | ARG | 1 | 0.848 | 0.920 | 10.167 | -1.546 | -1.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | D | 560 | LYS | 1 | 0.949 | 0.972 | 18.262 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | D | 561 | LEU | 0 | -0.035 | -0.013 | 21.489 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | D | 562 | LEU | 0 | -0.007 | -0.001 | 18.076 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | D | 563 | ILE | 0 | 0.072 | 0.038 | 21.612 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | D | 564 | ASN | 0 | -0.057 | -0.028 | 24.479 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | D | 565 | SER | 0 | 0.007 | 0.009 | 25.168 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | D | 566 | LEU | 0 | 0.009 | 0.013 | 25.348 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | D | 567 | TYR | 0 | -0.004 | -0.011 | 27.200 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | D | 568 | GLY | 0 | 0.025 | 0.018 | 30.437 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | D | 569 | ALA | 0 | -0.035 | -0.025 | 27.602 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | D | 570 | LEU | 0 | 0.011 | -0.005 | 29.420 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | D | 571 | GLY | 0 | 0.020 | 0.014 | 30.975 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | D | 572 | ASN | 0 | -0.049 | -0.025 | 32.369 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | D | 573 | VAL | 0 | 0.032 | 0.009 | 33.993 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | D | 574 | TRP | 0 | -0.045 | -0.016 | 33.160 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | D | 575 | PHE | 0 | 0.017 | 0.012 | 26.098 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | D | 576 | ARG | 1 | 0.775 | 0.871 | 27.388 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | D | 577 | TYR | 0 | 0.006 | -0.005 | 24.891 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | D | 578 | TYR | 0 | -0.035 | -0.007 | 30.649 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | D | 579 | ASP | -1 | -0.794 | -0.910 | 33.637 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | D | 580 | LEU | 0 | 0.014 | 0.023 | 36.654 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | D | 581 | ARG | 1 | 0.918 | 0.962 | 39.570 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | D | 582 | ASN | 0 | 0.093 | 0.055 | 34.314 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | D | 583 | ALA | 0 | -0.006 | -0.005 | 36.168 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | D | 584 | THR | 0 | -0.043 | -0.040 | 37.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | D | 585 | ALA | 0 | -0.004 | 0.024 | 37.807 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | D | 586 | ILE | 0 | 0.005 | 0.004 | 33.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | D | 587 | THR | 0 | 0.029 | 0.013 | 36.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | D | 588 | THR | 0 | -0.033 | -0.025 | 39.559 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | D | 589 | PHE | 0 | 0.029 | 0.008 | 38.592 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | D | 590 | GLY | 0 | 0.014 | 0.010 | 39.008 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | D | 591 | GLN | 0 | -0.013 | -0.018 | 39.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | D | 592 | MET | 0 | -0.029 | -0.005 | 43.022 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | D | 593 | ALA | 0 | 0.045 | 0.008 | 39.767 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | D | 594 | LEU | 0 | 0.017 | 0.019 | 41.762 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | D | 595 | GLN | 0 | 0.011 | -0.004 | 42.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | D | 596 | TRP | 0 | -0.042 | -0.024 | 44.332 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | D | 597 | ILE | 0 | -0.012 | 0.001 | 41.710 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | D | 598 | GLU | -1 | -0.841 | -0.908 | 44.670 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | D | 599 | ARG | 1 | 0.826 | 0.914 | 47.186 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | D | 600 | LYS | 1 | 0.860 | 0.915 | 46.333 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | D | 601 | VAL | 0 | 0.013 | 0.003 | 45.019 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | D | 602 | ASN | 0 | -0.010 | -0.024 | 48.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | D | 603 | GLU | -1 | -0.799 | -0.876 | 51.456 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | D | 604 | TYR | 0 | -0.030 | -0.025 | 47.907 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | D | 605 | LEU | 0 | -0.011 | -0.025 | 48.864 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | D | 606 | ASN | 0 | 0.001 | 0.004 | 52.530 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | D | 607 | GLU | -1 | -0.883 | -0.948 | 53.207 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | D | 608 | VAL | 0 | -0.056 | -0.028 | 51.817 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | D | 609 | CYS | 0 | -0.109 | -0.043 | 55.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | D | 610 | GLY | 0 | -0.029 | -0.007 | 57.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | D | 611 | THR | 0 | -0.122 | -0.060 | 59.275 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | D | 612 | GLU | -1 | -0.823 | -0.910 | 60.099 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | D | 613 | GLY | 0 | -0.056 | -0.028 | 59.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | D | 614 | GLU | -1 | -0.838 | -0.903 | 57.463 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | D | 615 | ALA | 0 | -0.004 | 0.018 | 55.187 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | D | 616 | PHE | 0 | 0.012 | -0.015 | 51.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | D | 617 | VAL | 0 | 0.018 | 0.020 | 47.862 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | D | 618 | LEU | 0 | -0.038 | -0.004 | 50.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | D | 619 | TYR | 0 | -0.067 | -0.095 | 45.226 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | D | 620 | GLY | 0 | 0.033 | 0.009 | 44.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | D | 621 | ASP | -1 | -0.851 | -0.884 | 41.780 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | D | 622 | THR | 0 | 0.002 | -0.025 | 37.609 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | D | 623 | ASP | -1 | -0.938 | -0.968 | 35.589 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | D | 624 | SER | 0 | 0.045 | 0.050 | 37.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | D | 625 | ILE | 0 | 0.014 | 0.000 | 40.330 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | D | 626 | TYR | 0 | 0.000 | -0.011 | 41.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | D | 627 | VAL | 0 | -0.005 | -0.013 | 46.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | D | 628 | SER | 0 | -0.031 | -0.044 | 48.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | D | 629 | ALA | 0 | 0.039 | 0.004 | 49.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | D | 630 | ASP | -1 | -0.806 | -0.880 | 51.827 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | D | 631 | LYS | 1 | 0.830 | 0.920 | 55.455 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | D | 632 | ILE | 0 | 0.054 | 0.033 | 50.390 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | D | 633 | ILE | 0 | -0.018 | -0.016 | 52.577 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | D | 634 | ASP | -1 | -0.826 | -0.913 | 55.643 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | D | 635 | LYS | 1 | 0.767 | 0.880 | 57.561 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | D | 636 | VAL | 0 | -0.077 | -0.016 | 54.895 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | D | 637 | GLY | 0 | 0.073 | 0.042 | 58.208 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | D | 638 | GLU | -1 | -0.771 | -0.864 | 57.872 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | D | 639 | SER | 0 | -0.021 | -0.015 | 58.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | D | 640 | LYS | 1 | 0.833 | 0.928 | 57.510 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | D | 641 | PHE | 0 | -0.027 | -0.017 | 53.397 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | D | 642 | ARG | 1 | 0.881 | 0.921 | 51.006 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | D | 643 | ASP | -1 | -0.798 | -0.883 | 52.001 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | D | 644 | THR | 0 | 0.036 | 0.010 | 50.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | D | 645 | ASN | 0 | 0.025 | 0.019 | 46.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | D | 646 | HIS | 0 | 0.027 | 0.009 | 48.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | D | 647 | TRP | 0 | -0.008 | 0.006 | 49.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | D | 648 | VAL | 0 | 0.006 | 0.005 | 45.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | D | 649 | ASP | -1 | -0.819 | -0.881 | 44.904 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | D | 650 | PHE | 0 | -0.053 | -0.018 | 46.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | D | 651 | LEU | 0 | 0.015 | 0.002 | 47.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | D | 652 | ASP | -1 | -0.742 | -0.850 | 41.263 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | D | 653 | LYS | 1 | 0.923 | 0.963 | 43.479 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | D | 654 | PHE | 0 | -0.016 | -0.007 | 45.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | D | 655 | ALA | 0 | 0.072 | 0.016 | 42.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | D | 656 | ARG | 1 | 0.864 | 0.919 | 39.255 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | D | 657 | GLU | -1 | -0.891 | -0.946 | 40.988 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | D | 658 | ARG | 1 | 0.831 | 0.909 | 43.489 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | D | 659 | MET | 0 | -0.002 | 0.037 | 44.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | D | 660 | GLU | -1 | -0.812 | -0.905 | 39.031 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | D | 661 | PRO | 0 | 0.024 | 0.013 | 41.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | D | 662 | ALA | 0 | -0.067 | -0.019 | 42.737 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | D | 663 | ILE | 0 | 0.027 | 0.022 | 39.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | D | 664 | ASP | -1 | -0.852 | -0.918 | 37.765 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | D | 665 | ARG | 1 | 0.875 | 0.920 | 40.176 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | D | 666 | GLY | 0 | 0.022 | 0.017 | 43.235 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | D | 667 | PHE | 0 | 0.037 | 0.000 | 38.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | D | 668 | ARG | 1 | 0.787 | 0.873 | 39.415 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | D | 669 | GLU | -1 | -0.847 | -0.908 | 40.630 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | D | 670 | MET | 0 | -0.034 | -0.004 | 39.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | D | 671 | CYS | 0 | -0.004 | 0.005 | 37.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | D | 672 | GLU | -1 | -0.804 | -0.890 | 40.108 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | D | 673 | TYR | 0 | -0.113 | -0.065 | 42.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | D | 674 | MET | 0 | -0.013 | -0.011 | 41.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | D | 675 | ASN | 0 | -0.010 | -0.003 | 39.858 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | D | 676 | ASN | 0 | -0.055 | -0.033 | 36.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | D | 677 | LYS | 1 | 0.815 | 0.908 | 29.897 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | D | 678 | GLN | 0 | -0.006 | -0.006 | 27.495 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | D | 679 | HIS | 0 | 0.017 | -0.006 | 32.895 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | D | 680 | LEU | 0 | -0.073 | -0.047 | 28.896 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | D | 681 | MET | 0 | -0.030 | 0.006 | 32.448 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | D | 682 | PHE | 0 | 0.034 | 0.011 | 30.657 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | D | 683 | MET | 0 | -0.035 | -0.030 | 35.286 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | D | 684 | ASP | -1 | -0.770 | -0.869 | 32.663 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | D | 685 | ARG | 1 | 0.792 | 0.842 | 36.225 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | D | 686 | GLU | -1 | -0.810 | -0.869 | 37.318 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | D | 687 | ALA | 0 | 0.007 | 0.001 | 38.363 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | D | 688 | ILE | 0 | 0.013 | 0.015 | 41.438 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | D | 689 | ALA | 0 | -0.027 | -0.020 | 44.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | D | 690 | GLY | 0 | 0.073 | 0.029 | 47.770 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | D | 691 | PRO | 0 | -0.001 | 0.041 | 51.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | D | 692 | PRO | 0 | -0.012 | -0.018 | 53.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | D | 693 | LEU | 0 | -0.001 | -0.007 | 54.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | D | 694 | GLY | 0 | 0.018 | 0.011 | 56.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | D | 695 | SER | 0 | -0.102 | -0.054 | 57.783 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | D | 696 | LYS | 1 | 0.826 | 0.899 | 59.742 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | D | 697 | GLY | 0 | 0.028 | -0.004 | 58.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | D | 698 | ILE | 0 | -0.091 | -0.027 | 55.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | D | 699 | GLY | 0 | 0.032 | 0.015 | 52.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | D | 700 | GLY | 0 | 0.011 | -0.020 | 51.234 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | D | 701 | PHE | 0 | -0.026 | -0.008 | 51.921 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | D | 702 | TRP | 0 | 0.033 | 0.017 | 47.215 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | D | 703 | THR | 0 | -0.059 | -0.038 | 52.289 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | D | 704 | GLY | 0 | 0.039 | 0.022 | 52.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | D | 705 | LYS | 1 | 0.825 | 0.890 | 48.137 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | D | 706 | LYS | 1 | 0.900 | 0.950 | 41.787 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | D | 707 | ARG | 1 | 0.821 | 0.909 | 46.183 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | D | 708 | TYR | 0 | 0.061 | 0.033 | 42.548 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | D | 709 | ALA | 0 | -0.038 | -0.022 | 47.848 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | D | 710 | LEU | 0 | 0.021 | 0.021 | 45.014 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | D | 711 | ASN | 0 | -0.004 | -0.045 | 46.952 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | D | 712 | VAL | 0 | -0.017 | -0.007 | 41.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | D | 713 | TRP | 0 | 0.035 | -0.003 | 44.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | D | 714 | ASP | -1 | -0.815 | -0.886 | 40.414 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | D | 715 | MET | 0 | -0.010 | 0.014 | 36.990 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | D | 716 | GLU | -1 | -0.915 | -0.963 | 32.404 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | D | 717 | GLY | 0 | 0.001 | 0.011 | 35.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | D | 718 | THR | 0 | -0.067 | -0.035 | 35.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | D | 719 | ARG | 1 | 0.753 | 0.837 | 37.568 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | D | 720 | TYR | 0 | -0.027 | -0.011 | 37.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | D | 721 | ALA | 0 | 0.000 | 0.006 | 41.974 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | D | 722 | GLU | -1 | -0.847 | -0.925 | 44.059 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | D | 723 | PRO | 0 | -0.009 | 0.027 | 45.041 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | D | 724 | LYS | 1 | 0.735 | 0.850 | 41.853 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | D | 725 | LEU | 0 | -0.027 | -0.009 | 44.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | D | 726 | LYS | 1 | 0.932 | 0.985 | 39.915 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | D | 727 | ILE | 0 | -0.044 | -0.037 | 44.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | D | 728 | MET | 0 | -0.017 | -0.012 | 38.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | D | 729 | GLY | 0 | 0.091 | 0.044 | 44.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | D | 730 | LEU | 0 | -0.023 | 0.009 | 46.426 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | D | 731 | GLU | -1 | -0.799 | -0.879 | 48.271 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | D | 732 | THR | 0 | -0.022 | -0.021 | 47.419 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | D | 733 | GLN | 0 | -0.019 | -0.012 | 43.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | D | 734 | LYS | 1 | 0.921 | 0.973 | 45.636 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | D | 735 | SER | 0 | 0.010 | -0.033 | 44.075 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | D | 736 | SER | 0 | -0.055 | -0.021 | 46.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | D | 737 | THR | 0 | 0.006 | 0.020 | 49.973 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | D | 738 | PRO | 0 | 0.064 | 0.041 | 50.723 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | D | 739 | LYS | 1 | 0.985 | 0.986 | 47.010 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | D | 740 | ALA | 0 | 0.031 | 0.013 | 51.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | D | 741 | VAL | 0 | 0.045 | 0.032 | 54.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | D | 742 | GLN | 0 | -0.027 | -0.019 | 47.376 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | D | 743 | LYS | 1 | 0.855 | 0.934 | 50.930 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | D | 744 | ALA | 0 | 0.016 | 0.013 | 51.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | D | 745 | LEU | 0 | 0.036 | 0.020 | 52.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | D | 746 | LYS | 1 | 0.891 | 0.941 | 45.824 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | D | 747 | GLU | -1 | -0.791 | -0.874 | 51.246 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | D | 748 | CYS | 0 | -0.041 | -0.018 | 53.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | D | 749 | ILE | 0 | 0.018 | 0.009 | 50.893 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | D | 750 | ARG | 1 | 0.811 | 0.876 | 50.927 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | D | 751 | ARG | 1 | 0.824 | 0.897 | 52.902 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | D | 752 | MET | 0 | -0.046 | -0.019 | 55.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | D | 753 | LEU | 0 | -0.056 | -0.010 | 50.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | D | 754 | GLN | 0 | 0.007 | 0.016 | 51.601 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | D | 755 | GLU | -1 | -0.799 | -0.841 | 55.117 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | D | 756 | GLY | 0 | 0.085 | 0.024 | 58.927 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | D | 757 | GLU | -1 | -0.864 | -0.951 | 60.758 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | D | 758 | GLU | -1 | -0.787 | -0.871 | 63.314 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | D | 759 | SER | 0 | 0.005 | -0.011 | 59.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | D | 760 | LEU | 0 | -0.061 | -0.029 | 59.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | D | 761 | GLN | 0 | -0.025 | -0.023 | 61.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | D | 762 | GLU | -1 | -0.788 | -0.884 | 65.141 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | D | 763 | TYR | 0 | -0.014 | -0.017 | 57.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | D | 764 | PHE | 0 | -0.004 | -0.005 | 62.242 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | D | 765 | LYS | 1 | 0.905 | 0.929 | 63.413 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | D | 766 | GLU | -1 | -0.880 | -0.914 | 62.643 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | D | 767 | PHE | 0 | -0.030 | -0.016 | 57.987 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | D | 768 | GLU | -1 | -0.850 | -0.935 | 62.327 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | D | 769 | LYS | 1 | 0.698 | 0.843 | 62.870 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | D | 770 | GLU | -1 | -0.862 | -0.943 | 60.132 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | D | 771 | PHE | 0 | -0.056 | -0.034 | 58.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | D | 772 | ARG | 1 | 0.942 | 0.967 | 62.085 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | D | 773 | GLN | 0 | -0.033 | 0.009 | 64.295 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | D | 774 | LEU | 0 | 0.035 | 0.022 | 56.858 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | D | 775 | ASN | 0 | 0.009 | -0.005 | 57.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | D | 776 | TYR | 0 | 0.144 | 0.056 | 58.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | D | 777 | ILE | 0 | -0.040 | -0.012 | 53.952 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | D | 778 | SER | 0 | -0.068 | -0.030 | 54.058 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | D | 779 | ILE | 0 | -0.037 | -0.009 | 55.049 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | D | 861 | ASP | -1 | -0.885 | -0.958 | 66.723 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | D | 862 | VAL | 0 | 0.019 | 0.003 | 64.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | D | 863 | LEU | 0 | -0.029 | -0.022 | 63.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | D | 864 | HIS | 0 | -0.028 | -0.004 | 66.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | D | 865 | TRP | 0 | -0.021 | -0.015 | 68.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | D | 866 | MET | 0 | -0.034 | -0.005 | 62.140 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | D | 867 | ASP | -1 | -0.764 | -0.872 | 66.518 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | D | 868 | TYR | 0 | -0.025 | -0.028 | 64.091 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | D | 869 | THR | 0 | -0.010 | -0.009 | 64.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | D | 870 | VAL | 0 | -0.033 | -0.027 | 64.423 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | D | 871 | LEU | 0 | -0.054 | -0.013 | 59.086 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | D | 872 | LEU | 0 | 0.016 | 0.000 | 60.898 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | D | 873 | GLU | -1 | -0.825 | -0.917 | 61.433 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | D | 874 | LYS | 1 | 0.943 | 0.976 | 60.116 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | D | 875 | THR | 0 | -0.063 | -0.032 | 55.958 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | D | 876 | PHE | 0 | -0.010 | -0.022 | 56.596 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | D | 877 | ILE | 0 | 0.032 | 0.027 | 58.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | D | 878 | LYS | 1 | 0.842 | 0.896 | 60.553 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | D | 879 | PRO | 0 | -0.065 | -0.027 | 55.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | D | 880 | LEU | 0 | 0.020 | 0.016 | 57.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | D | 881 | GLU | -1 | -0.746 | -0.859 | 58.661 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | D | 882 | GLY | 0 | 0.001 | 0.027 | 57.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | D | 883 | PHE | 0 | -0.028 | -0.032 | 53.415 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | D | 884 | THR | 0 | 0.003 | -0.006 | 57.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | D | 885 | SER | 0 | -0.019 | -0.019 | 60.412 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | D | 886 | ALA | 0 | 0.002 | 0.001 | 57.227 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | D | 887 | ALA | 0 | 0.005 | 0.009 | 57.859 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | D | 888 | LYS | 1 | 0.854 | 0.937 | 59.728 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | D | 889 | LEU | 0 | -0.071 | -0.020 | 60.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | D | 890 | ASP | -1 | -0.805 | -0.877 | 63.519 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | D | 891 | TYR | 0 | -0.037 | -0.025 | 63.140 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | D | 892 | GLU | -1 | -0.797 | -0.878 | 65.039 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | D | 893 | LYS | 1 | 0.833 | 0.902 | 68.850 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | D | 894 | LYS | 1 | 0.794 | 0.866 | 69.424 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | D | 895 | ALA | 0 | 0.013 | 0.032 | 73.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |