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: 43V3N
Calculation Name: 3O4X-E-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3O4X
Chain ID: E
UniProt ID: O08808
Base Structure: X-ray
Registration Date: 2023-06-19
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 433 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -5957894.987601 |
|---|---|
| FMO2-HF: Nuclear repulsion | 5779791.652032 |
| FMO2-HF: Total energy | -178103.335569 |
| FMO2-MP2: Total energy | -178615.392132 |
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(E:745:VAL)
Summations of interaction energy for
fragment #1(E:745:VAL)
| 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. |
| -2.597 | -1.314 | -0.008 | -0.657 | -0.619 | 0.002 |
Interaction energy analysis for fragmet #1(E:745:VAL)
| 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 | E | 747 | PRO | 0 | 0.023 | 0.022 | 3.863 | -1.433 | -0.150 | -0.008 | -0.657 | -0.619 | 0.002 |
| 4 | E | 748 | PHE | 0 | 0.055 | 0.022 | 6.852 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | E | 749 | GLY | 0 | -0.006 | 0.012 | 9.771 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | E | 750 | LEU | 0 | -0.033 | -0.019 | 10.047 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | E | 751 | THR | 0 | 0.020 | 0.002 | 9.136 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | E | 752 | PRO | 0 | -0.004 | -0.009 | 6.576 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | E | 753 | LYS | 1 | 0.916 | 0.969 | 9.346 | -0.600 | -0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | E | 754 | LYS | 1 | 0.910 | 0.964 | 12.504 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | E | 755 | VAL | 0 | 0.029 | 0.022 | 12.104 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | E | 756 | TYR | 0 | 0.002 | -0.004 | 14.844 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | E | 757 | LYS | 1 | 0.947 | 0.955 | 16.970 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | E | 758 | PRO | 0 | -0.004 | 0.010 | 20.989 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | E | 759 | GLU | -1 | -0.900 | -0.933 | 24.328 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | E | 760 | VAL | 0 | -0.006 | -0.002 | 27.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | E | 761 | GLN | 0 | 0.017 | 0.006 | 24.191 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | E | 762 | LEU | 0 | -0.002 | -0.005 | 25.281 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | E | 763 | ARG | 1 | 0.921 | 0.970 | 27.055 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | E | 764 | ARG | 1 | 0.963 | 0.976 | 22.786 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | E | 765 | PRO | 0 | 0.022 | 0.020 | 23.882 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | E | 766 | ASN | 0 | -0.032 | -0.022 | 23.360 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | E | 767 | TRP | 0 | 0.020 | 0.016 | 19.435 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | E | 768 | SER | 0 | 0.007 | -0.003 | 20.095 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | E | 769 | LYS | 1 | 0.916 | 0.959 | 12.018 | -1.030 | -1.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | E | 770 | PHE | 0 | 0.047 | 0.026 | 15.108 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | E | 771 | VAL | 0 | -0.093 | -0.048 | 8.792 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | E | 772 | ALA | 0 | -0.013 | -0.034 | 7.487 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | E | 773 | GLU | -1 | -0.969 | -0.986 | 6.593 | 0.833 | 0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | E | 774 | ASP | -1 | -0.775 | -0.862 | 9.714 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | E | 775 | LEU | 0 | -0.087 | -0.043 | 12.710 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | E | 776 | SER | 0 | 0.017 | 0.006 | 13.564 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | E | 777 | GLN | 0 | 0.000 | -0.027 | 16.118 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | E | 778 | ASP | -1 | -0.897 | -0.928 | 17.430 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | E | 779 | CYS | 0 | -0.073 | -0.003 | 17.702 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | E | 780 | PHE | 0 | 0.027 | -0.008 | 20.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | E | 781 | TRP | 0 | 0.033 | -0.021 | 17.439 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | E | 782 | THR | 0 | 0.022 | 0.007 | 15.144 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | E | 783 | LYS | 1 | 0.956 | 0.985 | 17.097 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | E | 784 | VAL | 0 | 0.041 | 0.045 | 18.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | E | 785 | LYS | 1 | 0.796 | 0.920 | 13.712 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | E | 786 | GLU | -1 | -0.834 | -0.930 | 16.910 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | E | 787 | ASP | -1 | -0.923 | -0.981 | 18.178 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | E | 788 | ARG | 1 | 0.891 | 0.935 | 19.483 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | E | 789 | PHE | 0 | -0.036 | -0.013 | 22.967 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | E | 790 | GLU | -1 | -0.844 | -0.918 | 25.020 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | E | 791 | ASN | 0 | -0.087 | -0.038 | 23.006 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | E | 792 | ASN | 0 | -0.006 | -0.009 | 26.411 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | E | 793 | GLU | -1 | -0.863 | -0.926 | 28.167 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | E | 794 | LEU | 0 | -0.053 | -0.037 | 27.760 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | E | 795 | PHE | 0 | 0.082 | 0.039 | 23.441 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | E | 796 | ALA | 0 | 0.067 | 0.083 | 28.497 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | E | 797 | LYS | 1 | 0.966 | 0.970 | 31.756 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | E | 798 | LEU | 0 | -0.011 | 0.000 | 26.696 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | E | 799 | THR | 0 | -0.011 | -0.069 | 29.317 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | E | 800 | LEU | 0 | -0.045 | -0.026 | 30.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | E | 801 | ALA | 0 | -0.013 | 0.010 | 33.991 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | E | 802 | PHE | 0 | -0.038 | -0.015 | 30.535 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | E | 803 | SER | 0 | 0.005 | 0.011 | 31.198 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | E | 804 | ALA | 0 | -0.063 | -0.033 | 31.362 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | E | 805 | GLN | 0 | 0.011 | 0.003 | 33.222 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | E | 806 | THR | 0 | 0.023 | 0.022 | 35.157 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | E | 828 | LYS | 1 | 0.897 | 0.988 | 52.677 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | E | 829 | VAL | 0 | -0.002 | -0.037 | 52.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | E | 830 | LYS | 1 | 0.965 | 0.969 | 55.924 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | E | 831 | GLU | -1 | -0.937 | -0.963 | 56.510 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | E | 832 | LEU | 0 | -0.029 | -0.019 | 55.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | E | 833 | LYS | 1 | 0.952 | 0.975 | 58.804 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | E | 834 | VAL | 0 | -0.040 | -0.009 | 62.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | E | 835 | LEU | 0 | -0.060 | -0.031 | 59.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | E | 836 | ASP | -1 | -0.791 | -0.878 | 55.857 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | E | 837 | SER | 0 | -0.017 | -0.036 | 51.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | E | 838 | LYS | 1 | 0.933 | 0.968 | 51.802 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | E | 839 | THR | 0 | 0.052 | -0.002 | 53.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | E | 840 | ALA | 0 | 0.012 | 0.006 | 55.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | E | 841 | GLN | 0 | -0.036 | -0.004 | 48.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | E | 842 | ASN | 0 | -0.023 | -0.021 | 53.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | E | 843 | LEU | 0 | 0.064 | 0.030 | 54.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | E | 844 | SER | 0 | -0.006 | 0.008 | 53.787 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | E | 845 | ILE | 0 | -0.043 | -0.007 | 50.366 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | E | 846 | PHE | 0 | -0.017 | -0.010 | 54.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | E | 847 | LEU | 0 | -0.006 | -0.016 | 57.404 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | E | 848 | GLY | 0 | 0.000 | 0.010 | 55.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | E | 849 | SER | 0 | -0.066 | -0.038 | 55.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | E | 850 | PHE | 0 | -0.020 | -0.003 | 57.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | E | 851 | ARG | 1 | 0.900 | 0.953 | 58.521 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | E | 852 | MET | 0 | 0.036 | 0.036 | 62.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | E | 853 | PRO | 0 | 0.037 | 0.015 | 65.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | E | 854 | TYR | 0 | 0.115 | 0.039 | 61.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | E | 855 | GLN | 0 | -0.019 | -0.026 | 68.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | E | 856 | GLU | -1 | -0.963 | -0.966 | 70.665 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | E | 857 | ILE | 0 | 0.045 | 0.011 | 65.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | E | 858 | LYS | 1 | 0.948 | 0.977 | 70.507 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | E | 859 | ASN | 0 | 0.018 | -0.005 | 72.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | E | 860 | VAL | 0 | 0.040 | 0.025 | 72.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | E | 861 | ILE | 0 | -0.040 | -0.021 | 70.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | E | 862 | LEU | 0 | -0.053 | -0.037 | 74.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | E | 863 | GLU | -1 | -0.893 | -0.944 | 77.977 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | E | 864 | VAL | 0 | -0.064 | -0.029 | 76.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | E | 865 | ASN | 0 | -0.012 | -0.012 | 75.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | E | 866 | GLU | -1 | -0.850 | -0.954 | 75.455 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | E | 867 | ALA | 0 | -0.025 | 0.001 | 75.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | E | 868 | VAL | 0 | -0.026 | -0.003 | 70.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | E | 869 | LEU | 0 | -0.039 | -0.011 | 70.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | E | 870 | THR | 0 | 0.038 | 0.008 | 67.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | E | 871 | GLU | -1 | -0.867 | -0.943 | 67.078 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | E | 872 | SER | 0 | 0.003 | 0.006 | 62.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | E | 873 | MET | 0 | -0.026 | -0.003 | 64.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | E | 874 | ILE | 0 | 0.033 | 0.009 | 65.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | E | 875 | GLN | 0 | 0.036 | 0.009 | 63.637 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | E | 876 | ASN | 0 | -0.055 | -0.013 | 60.440 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | E | 877 | LEU | 0 | 0.007 | 0.010 | 62.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | E | 878 | ILE | 0 | -0.014 | -0.004 | 64.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | E | 879 | LYS | 1 | 0.912 | 0.958 | 55.683 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | E | 880 | GLN | 0 | -0.026 | -0.028 | 56.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | E | 881 | MET | 0 | -0.059 | -0.003 | 60.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | E | 882 | PRO | 0 | 0.017 | 0.017 | 62.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | E | 883 | GLU | -1 | -0.907 | -0.952 | 62.669 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | E | 884 | PRO | 0 | -0.032 | -0.043 | 65.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | E | 885 | GLU | -1 | -0.933 | -0.954 | 66.039 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | E | 886 | GLN | 0 | 0.042 | -0.009 | 60.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | E | 887 | LEU | 0 | -0.016 | 0.006 | 66.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | E | 888 | LYS | 1 | 0.939 | 0.975 | 68.682 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | E | 889 | MET | 0 | -0.019 | -0.009 | 65.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | E | 890 | LEU | 0 | 0.038 | 0.028 | 64.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | E | 891 | SER | 0 | -0.080 | -0.029 | 68.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | E | 892 | GLU | -1 | -0.948 | -0.991 | 71.572 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | E | 893 | LEU | 0 | -0.024 | -0.006 | 66.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | E | 894 | LYS | 1 | 0.902 | 0.947 | 70.112 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | E | 895 | GLU | -1 | -0.960 | -0.965 | 72.369 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | E | 896 | GLU | -1 | -0.902 | -0.937 | 68.552 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | E | 897 | TYR | 0 | -0.046 | -0.039 | 68.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | E | 898 | ASP | -1 | -0.921 | -0.969 | 66.917 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | E | 899 | ASP | -1 | -0.971 | -0.980 | 64.315 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | E | 900 | LEU | 0 | -0.051 | -0.013 | 62.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | E | 901 | ALA | 0 | -0.002 | -0.012 | 58.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | E | 902 | GLU | -1 | -0.891 | -0.957 | 58.201 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | E | 903 | SER | 0 | -0.004 | -0.005 | 58.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | E | 904 | GLU | -1 | -0.750 | -0.893 | 60.249 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | E | 905 | GLN | 0 | -0.014 | 0.004 | 62.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | E | 906 | PHE | 0 | 0.002 | 0.005 | 63.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | E | 907 | GLY | 0 | 0.028 | 0.003 | 64.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | E | 908 | VAL | 0 | 0.030 | 0.017 | 66.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | E | 909 | VAL | 0 | -0.061 | -0.013 | 68.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | E | 910 | MET | 0 | -0.025 | -0.027 | 67.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | E | 911 | GLY | 0 | 0.014 | 0.015 | 70.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | E | 912 | THR | 0 | -0.077 | -0.044 | 71.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | E | 913 | VAL | 0 | -0.029 | 0.003 | 73.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | E | 914 | PRO | 0 | 0.031 | 0.017 | 75.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | E | 915 | ARG | 1 | 0.941 | 0.970 | 75.894 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | E | 916 | LEU | 0 | 0.100 | 0.049 | 69.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | E | 917 | ARG | 1 | 0.995 | 0.986 | 64.335 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | E | 918 | PRO | 0 | -0.018 | -0.007 | 71.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | E | 919 | ARG | 1 | 0.860 | 0.938 | 74.926 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | E | 920 | LEU | 0 | 0.011 | -0.012 | 68.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | E | 921 | ASN | 0 | -0.012 | -0.003 | 70.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | E | 922 | ALA | 0 | 0.026 | 0.010 | 72.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | E | 923 | ILE | 0 | -0.002 | -0.001 | 73.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | E | 924 | LEU | 0 | -0.007 | 0.006 | 68.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | E | 925 | PHE | 0 | 0.011 | -0.003 | 72.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | E | 926 | LYS | 1 | 0.932 | 0.974 | 74.411 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | E | 927 | LEU | 0 | -0.046 | -0.030 | 71.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | E | 928 | GLN | 0 | 0.041 | 0.023 | 68.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | E | 929 | PHE | 0 | -0.046 | -0.019 | 73.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | E | 930 | SER | 0 | 0.039 | -0.008 | 76.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | E | 931 | GLU | -1 | -0.901 | -0.943 | 69.362 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | E | 932 | GLN | 0 | -0.036 | -0.012 | 73.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | E | 933 | VAL | 0 | -0.001 | -0.006 | 74.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | E | 934 | GLU | -1 | -1.006 | -1.005 | 75.238 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | E | 935 | ASN | 0 | 0.024 | 0.015 | 70.553 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | E | 936 | ILE | 0 | -0.024 | -0.002 | 74.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | E | 937 | LYS | 1 | 0.973 | 0.978 | 77.214 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | E | 938 | PRO | 0 | 0.011 | 0.008 | 76.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | E | 939 | GLU | -1 | -0.859 | -0.943 | 73.093 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | E | 940 | ILE | 0 | 0.034 | 0.024 | 77.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | E | 941 | VAL | 0 | -0.037 | 0.007 | 81.137 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | E | 942 | SER | 0 | -0.051 | -0.028 | 78.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | E | 943 | VAL | 0 | 0.038 | 0.011 | 79.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | E | 944 | THR | 0 | -0.038 | -0.048 | 81.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | E | 945 | ALA | 0 | -0.017 | -0.006 | 83.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | E | 946 | ALA | 0 | 0.016 | 0.014 | 81.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | E | 947 | CYS | 0 | -0.013 | -0.007 | 83.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | E | 948 | GLU | -1 | -0.956 | -0.976 | 86.419 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | E | 949 | GLU | -1 | -0.839 | -0.920 | 84.424 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | E | 950 | LEU | 0 | -0.012 | -0.007 | 85.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | E | 951 | ARG | 1 | 0.912 | 0.969 | 87.807 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | E | 952 | LYS | 1 | 0.896 | 0.940 | 91.109 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | E | 953 | SER | 0 | -0.028 | -0.040 | 89.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | E | 954 | GLU | -1 | -0.850 | -0.948 | 91.426 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | E | 955 | ASN | 0 | -0.001 | 0.002 | 90.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | E | 956 | PHE | 0 | -0.022 | -0.015 | 85.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | E | 957 | SER | 0 | -0.023 | -0.003 | 89.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | E | 958 | SER | 0 | 0.028 | 0.006 | 92.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | E | 959 | LEU | 0 | 0.000 | 0.016 | 86.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | E | 960 | LEU | 0 | -0.009 | 0.020 | 88.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | E | 961 | GLU | -1 | -0.925 | -0.952 | 91.255 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | E | 962 | LEU | 0 | 0.001 | -0.005 | 91.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | E | 963 | THR | 0 | -0.062 | -0.069 | 87.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | E | 964 | LEU | 0 | -0.045 | -0.009 | 90.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | E | 965 | LEU | 0 | -0.010 | 0.017 | 93.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | E | 966 | VAL | 0 | 0.028 | 0.003 | 90.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | E | 967 | GLY | 0 | 0.028 | 0.004 | 90.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | E | 968 | ASN | 0 | -0.074 | -0.063 | 91.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | E | 969 | TYR | 0 | -0.042 | -0.005 | 95.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | E | 970 | MET | 0 | -0.009 | -0.004 | 87.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | E | 971 | ASN | 0 | -0.095 | -0.039 | 90.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | E | 972 | ALA | 0 | 0.018 | 0.003 | 93.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | E | 973 | GLY | 0 | 0.038 | 0.024 | 95.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | E | 974 | SER | 0 | -0.083 | -0.044 | 92.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | E | 975 | ARG | 1 | 0.956 | 0.977 | 86.567 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | E | 976 | ASN | 0 | -0.046 | -0.012 | 89.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | E | 977 | ALA | 0 | 0.090 | 0.023 | 93.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | E | 978 | GLY | 0 | -0.028 | 0.006 | 96.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | E | 979 | ALA | 0 | -0.023 | -0.001 | 94.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | E | 980 | PHE | 0 | 0.048 | 0.004 | 96.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | E | 981 | GLY | 0 | 0.030 | 0.022 | 93.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | E | 982 | PHE | 0 | -0.066 | -0.029 | 87.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | E | 983 | ASN | 0 | 0.033 | 0.010 | 85.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | E | 984 | ILE | 0 | 0.104 | 0.048 | 83.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | E | 985 | SER | 0 | 0.070 | 0.038 | 80.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | E | 986 | PHE | 0 | -0.045 | -0.042 | 80.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | E | 987 | LEU | 0 | 0.042 | 0.032 | 82.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | E | 988 | CYS | 0 | 0.071 | 0.002 | 76.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | E | 989 | LYS | 1 | 0.861 | 0.932 | 77.887 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | E | 990 | LEU | 0 | 0.001 | 0.014 | 79.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | E | 991 | ARG | 1 | 0.953 | 0.976 | 72.895 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | E | 992 | ASP | -1 | -0.906 | -0.960 | 76.165 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | E | 993 | THR | 0 | -0.066 | -0.013 | 78.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | E | 994 | LYS | 1 | 0.917 | 0.954 | 75.969 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | E | 995 | SER | 0 | 0.012 | 0.021 | 81.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | E | 996 | ALA | 0 | 0.036 | 0.015 | 81.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | E | 997 | ASP | -1 | -0.897 | -0.969 | 81.684 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | E | 998 | GLN | 0 | -0.048 | -0.035 | 77.400 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | E | 999 | LYS | 1 | 0.899 | 0.966 | 78.093 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | E | 1000 | MET | 0 | -0.046 | -0.017 | 79.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | E | 1001 | THR | 0 | -0.004 | -0.012 | 78.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | E | 1002 | LEU | 0 | 0.057 | 0.014 | 81.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | E | 1003 | LEU | 0 | 0.023 | 0.012 | 79.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | E | 1004 | HIS | 0 | -0.014 | 0.009 | 77.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | E | 1005 | PHE | 0 | 0.045 | 0.036 | 83.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | E | 1006 | LEU | 0 | 0.039 | 0.017 | 86.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | E | 1007 | ALA | 0 | 0.011 | 0.009 | 84.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | E | 1008 | GLU | -1 | -0.953 | -0.981 | 86.330 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | E | 1009 | LEU | 0 | -0.033 | -0.010 | 88.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | E | 1010 | CYS | 0 | -0.060 | -0.031 | 89.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | E | 1011 | GLU | -1 | -0.875 | -0.968 | 86.061 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | E | 1012 | ASN | 0 | -0.091 | -0.033 | 89.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | E | 1013 | ASP | -1 | -0.926 | -0.963 | 93.188 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | E | 1014 | HIS | 0 | -0.032 | -0.006 | 93.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | E | 1015 | PRO | 0 | 0.031 | 0.006 | 91.968 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | E | 1016 | GLU | -1 | -0.908 | -0.956 | 91.608 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | E | 1017 | VAL | 0 | 0.052 | 0.018 | 89.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | E | 1018 | LEU | 0 | -0.042 | -0.034 | 85.768 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | E | 1019 | LYS | 1 | 0.943 | 0.973 | 86.667 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | E | 1020 | PHE | 0 | 0.015 | 0.012 | 83.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | E | 1021 | PRO | 0 | -0.058 | -0.038 | 81.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | E | 1022 | ASP | -1 | -0.922 | -0.965 | 82.913 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | E | 1023 | GLU | -1 | -0.847 | -0.870 | 84.978 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | E | 1024 | LEU | 0 | -0.037 | -0.005 | 83.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | E | 1025 | ALA | 0 | 0.008 | 0.006 | 82.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | E | 1026 | HIS | 0 | -0.092 | -0.077 | 80.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | E | 1027 | VAL | 0 | 0.003 | 0.006 | 78.968 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | E | 1028 | GLU | -1 | -0.916 | -0.951 | 73.023 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | E | 1029 | LYS | 1 | 0.910 | 0.954 | 75.061 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | E | 1030 | ALA | 0 | 0.038 | 0.025 | 75.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | E | 1031 | SER | 0 | -0.056 | -0.031 | 73.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | E | 1032 | ARG | 1 | 0.913 | 0.936 | 69.046 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | E | 1033 | VAL | 0 | -0.021 | 0.025 | 71.634 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | E | 1034 | SER | 0 | 0.002 | 0.008 | 71.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | E | 1035 | ALA | 0 | 0.008 | -0.035 | 73.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | E | 1036 | GLU | -1 | -0.952 | -0.983 | 71.924 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | E | 1037 | ASN | 0 | 0.023 | -0.014 | 68.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | E | 1038 | LEU | 0 | 0.030 | 0.039 | 73.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | E | 1039 | GLN | 0 | -0.017 | 0.005 | 76.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | E | 1040 | LYS | 1 | 0.956 | 0.969 | 70.284 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | E | 1041 | SER | 0 | 0.003 | -0.002 | 73.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | E | 1042 | LEU | 0 | -0.001 | 0.002 | 75.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | E | 1043 | ASP | -1 | -0.909 | -0.956 | 77.284 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | E | 1044 | GLN | 0 | -0.063 | -0.028 | 70.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | E | 1045 | MET | 0 | 0.036 | 0.030 | 76.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | E | 1046 | LYS | 1 | 0.956 | 0.975 | 78.050 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | E | 1047 | LYS | 1 | 0.802 | 0.902 | 74.545 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | E | 1048 | GLN | 0 | 0.016 | -0.009 | 72.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | E | 1049 | ILE | 0 | -0.010 | 0.006 | 77.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | E | 1050 | ALA | 0 | 0.032 | 0.014 | 81.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | E | 1051 | ASP | -1 | -0.888 | -0.923 | 76.221 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | E | 1052 | VAL | 0 | 0.010 | 0.000 | 78.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | E | 1053 | GLU | -1 | -0.926 | -0.970 | 80.493 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | E | 1054 | ARG | 1 | 0.942 | 0.970 | 79.670 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | E | 1055 | ASP | -1 | -0.953 | -0.984 | 78.224 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | E | 1056 | VAL | 0 | -0.036 | -0.024 | 81.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | E | 1057 | GLN | 0 | -0.025 | -0.010 | 84.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | E | 1058 | ASN | 0 | -0.077 | -0.025 | 82.511 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | E | 1059 | PHE | 0 | -0.034 | -0.019 | 78.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | E | 1060 | PRO | 0 | -0.031 | -0.014 | 81.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | E | 1061 | ALA | 0 | 0.011 | 0.005 | 85.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | E | 1062 | ALA | 0 | 0.032 | 0.010 | 84.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | E | 1063 | THR | 0 | -0.059 | -0.024 | 84.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | E | 1064 | ASP | -1 | -0.896 | -0.949 | 81.551 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | E | 1065 | GLU | -1 | -0.918 | -0.976 | 84.846 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | E | 1066 | LYS | 1 | 0.873 | 0.947 | 79.029 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | E | 1067 | ASP | -1 | -0.864 | -0.918 | 81.234 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | E | 1068 | LYS | 1 | 0.985 | 0.997 | 81.782 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | E | 1069 | PHE | 0 | 0.006 | 0.001 | 78.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | E | 1070 | VAL | 0 | 0.062 | 0.015 | 82.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | E | 1071 | GLU | -1 | -0.952 | -0.943 | 85.347 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | E | 1072 | LYS | 1 | 0.910 | 0.945 | 80.620 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | E | 1073 | MET | 0 | -0.016 | 0.010 | 79.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | E | 1074 | THR | 0 | -0.011 | -0.028 | 83.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | E | 1075 | SER | 0 | -0.061 | -0.041 | 86.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | E | 1076 | PHE | 0 | 0.011 | 0.022 | 78.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | E | 1077 | VAL | 0 | 0.048 | 0.033 | 83.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | E | 1078 | LYS | 1 | 0.900 | 0.945 | 85.211 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | E | 1079 | ASP | -1 | -0.853 | -0.932 | 84.175 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | E | 1080 | ALA | 0 | 0.013 | 0.007 | 81.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | E | 1081 | GLN | 0 | -0.011 | -0.010 | 83.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | E | 1082 | GLU | -1 | -0.973 | -0.982 | 86.237 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | E | 1083 | GLN | 0 | -0.035 | -0.034 | 82.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | E | 1084 | TYR | 0 | 0.044 | 0.030 | 81.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | E | 1085 | ASN | 0 | -0.012 | -0.007 | 84.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | E | 1086 | LYS | 1 | 0.918 | 0.969 | 87.005 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | E | 1087 | LEU | 0 | 0.040 | 0.015 | 80.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | E | 1088 | ARG | 1 | 0.962 | 0.979 | 84.540 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | E | 1089 | MET | 0 | -0.014 | -0.004 | 85.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | E | 1090 | MET | 0 | -0.021 | -0.009 | 85.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | E | 1091 | HIS | 0 | 0.086 | 0.055 | 80.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | E | 1092 | SER | 0 | -0.011 | -0.006 | 84.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | E | 1093 | ASN | 0 | -0.025 | 0.000 | 87.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | E | 1094 | MET | 0 | -0.033 | -0.007 | 81.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | E | 1095 | GLU | -1 | -0.929 | -0.989 | 83.169 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | E | 1096 | THR | 0 | -0.065 | -0.034 | 86.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | E | 1097 | LEU | 0 | 0.034 | 0.013 | 88.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | E | 1098 | TYR | 0 | -0.038 | -0.041 | 81.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | E | 1099 | LYS | 1 | 0.809 | 0.872 | 86.719 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | E | 1100 | GLU | -1 | -0.949 | -0.986 | 88.966 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | E | 1101 | LEU | 0 | -0.018 | -0.014 | 86.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | E | 1102 | GLY | 0 | -0.026 | 0.003 | 88.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | E | 1103 | ASP | -1 | -0.828 | -0.894 | 89.100 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | E | 1104 | TYR | 0 | -0.081 | -0.028 | 92.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | E | 1105 | PHE | 0 | -0.009 | -0.030 | 89.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | E | 1106 | VAL | 0 | -0.041 | -0.006 | 90.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | E | 1107 | PHE | 0 | -0.061 | -0.025 | 84.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | E | 1108 | ASP | -1 | -0.862 | -0.946 | 84.938 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | E | 1109 | PRO | 0 | 0.038 | 0.014 | 84.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | E | 1110 | LYS | 1 | 0.910 | 0.951 | 83.108 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | E | 1111 | LYS | 1 | 0.872 | 0.947 | 78.975 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | E | 1112 | LEU | 0 | 0.048 | 0.039 | 77.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | E | 1113 | SER | 0 | 0.013 | 0.023 | 75.329 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | E | 1114 | VAL | 0 | 0.043 | 0.007 | 78.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | E | 1115 | GLU | -1 | -0.757 | -0.835 | 73.697 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | E | 1116 | GLU | -1 | -0.936 | -0.975 | 73.241 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | E | 1117 | PHE | 0 | -0.013 | 0.010 | 75.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | E | 1118 | PHE | 0 | 0.007 | -0.030 | 78.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | E | 1119 | MET | 0 | -0.003 | 0.014 | 70.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | E | 1120 | ASP | -1 | -0.925 | -0.950 | 75.618 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | E | 1121 | LEU | 0 | -0.017 | -0.013 | 77.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | E | 1122 | HIS | 0 | 0.049 | 0.030 | 72.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | E | 1123 | ASN | 0 | -0.019 | -0.030 | 72.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | E | 1124 | PHE | 0 | 0.036 | 0.002 | 75.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | E | 1125 | ARG | 1 | 0.881 | 0.962 | 77.313 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | E | 1126 | ASN | 0 | 0.008 | -0.014 | 73.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | E | 1127 | MET | 0 | -0.104 | 0.011 | 75.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | E | 1128 | PHE | 0 | 0.038 | 0.023 | 77.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | E | 1129 | LEU | 0 | 0.029 | 0.003 | 78.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | E | 1130 | GLN | 0 | -0.046 | -0.010 | 73.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | E | 1131 | ALA | 0 | -0.018 | -0.024 | 77.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | E | 1132 | VAL | 0 | 0.069 | 0.031 | 79.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | E | 1133 | LYS | 1 | 0.963 | 0.980 | 76.287 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | E | 1134 | GLU | -1 | -0.931 | -0.958 | 75.837 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | E | 1135 | ASN | 0 | -0.024 | -0.015 | 78.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | E | 1136 | GLN | 0 | -0.019 | 0.005 | 81.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | E | 1137 | LYS | 1 | 1.006 | 1.013 | 73.592 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | E | 1138 | ARG | 1 | 0.883 | 0.945 | 79.643 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | E | 1139 | ARG | 1 | 0.949 | 0.979 | 80.802 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | E | 1140 | GLU | -1 | -0.969 | -0.998 | 80.771 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | E | 1141 | THR | 0 | -0.123 | -0.070 | 79.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | E | 1142 | GLU | -1 | -0.917 | -0.955 | 81.449 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | E | 1143 | GLU | -1 | -0.902 | -0.946 | 84.870 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | E | 1144 | LYS | 1 | 0.922 | 0.954 | 79.450 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | E | 1145 | MET | 0 | 0.017 | 0.017 | 82.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | E | 1146 | ARG | 1 | 0.956 | 0.975 | 84.375 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | E | 1147 | ARG | 1 | 0.972 | 0.980 | 87.060 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | E | 1148 | ALA | 0 | -0.008 | 0.000 | 84.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | E | 1149 | LYS | 1 | 0.950 | 0.970 | 86.299 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | E | 1150 | LEU | 0 | 0.039 | 0.029 | 88.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | E | 1151 | ALA | 0 | -0.005 | -0.005 | 88.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | E | 1152 | LYS | 1 | 0.969 | 0.982 | 85.510 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | E | 1153 | GLU | -1 | -0.950 | -0.971 | 89.140 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | E | 1154 | LYS | 1 | 0.917 | 0.957 | 92.308 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | E | 1155 | ALA | 0 | 0.027 | 0.019 | 90.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | E | 1156 | GLU | -1 | -0.854 | -0.923 | 90.835 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | E | 1157 | LYS | 1 | 0.962 | 0.981 | 92.605 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | E | 1158 | GLU | -1 | -0.963 | -0.989 | 95.114 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | E | 1159 | ARG | 1 | 0.851 | 0.934 | 91.490 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | E | 1160 | LEU | 0 | 0.010 | -0.001 | 94.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | E | 1161 | GLU | -1 | -0.916 | -0.957 | 96.850 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | E | 1162 | LYS | 1 | 0.883 | 0.941 | 95.970 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | E | 1163 | GLN | 0 | 0.005 | -0.007 | 95.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | E | 1164 | GLN | 0 | 0.072 | 0.033 | 98.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | E | 1165 | LYS | 1 | 0.876 | 0.938 | 101.449 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | E | 1166 | ARG | 1 | 0.879 | 0.947 | 95.367 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | E | 1167 | GLU | -1 | -0.902 | -0.964 | 98.534 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | E | 1168 | GLN | 0 | -0.065 | -0.015 | 102.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | E | 1169 | LEU | 0 | -0.074 | -0.024 | 103.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | E | 1170 | ILE | 0 | 0.004 | -0.015 | 102.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | E | 1171 | ASP | -1 | -0.822 | -0.886 | 103.919 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | E | 1172 | MET | 0 | -0.141 | -0.066 | 100.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | E | 1173 | ASN | 0 | -0.067 | -0.041 | 101.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | E | 1174 | ALA | 0 | -0.038 | -0.029 | 102.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | E | 1175 | GLU | -1 | -0.866 | -0.932 | 105.652 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | E | 1176 | GLY | 0 | -0.036 | -0.012 | 109.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | E | 1177 | ASP | -1 | -0.906 | -0.945 | 108.340 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | E | 1178 | GLU | -1 | -0.964 | -0.984 | 111.093 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | E | 1179 | THR | 0 | -0.043 | -0.039 | 111.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | E | 1180 | GLY | 0 | 0.011 | 0.025 | 112.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | E | 1181 | VAL | 0 | 0.045 | -0.003 | 106.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | E | 1182 | MET | 0 | 0.043 | 0.030 | 103.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | E | 1183 | ASP | -1 | -0.870 | -0.934 | 107.885 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | E | 1184 | SER | 0 | -0.060 | -0.037 | 109.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | E | 1185 | LEU | 0 | -0.027 | -0.011 | 103.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | E | 1186 | LEU | 0 | -0.016 | -0.025 | 105.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | E | 1187 | GLU | -1 | -0.889 | -0.937 | 107.753 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | E | 1188 | ALA | 0 | 0.012 | 0.009 | 107.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | E | 1189 | LEU | 0 | -0.051 | -0.036 | 102.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | E | 1190 | GLN | 0 | -0.051 | -0.009 | 105.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | E | 1191 | SER | 0 | -0.004 | 0.000 | 108.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | E | 1192 | GLY | 0 | 0.013 | 0.008 | 105.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | E | 1193 | ALA | 0 | -0.089 | -0.043 | 105.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | E | 1194 | ALA | 0 | 0.055 | 0.022 | 102.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | E | 1195 | PHE | 0 | -0.067 | -0.015 | 99.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | E | 1196 | ARG | 1 | 0.951 | 0.989 | 102.048 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | E | 1197 | ARG | 1 | 0.981 | 0.978 | 100.858 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | E | 1198 | LYS | 1 | 0.981 | 0.995 | 97.468 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |