FMODB ID: YYGQ2
Calculation Name: 3O4X-E-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
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.
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 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 433 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5983089.975242 |
---|---|
FMO2-HF: Nuclear repulsion | 5804980.75471 |
FMO2-HF: Total energy | -178109.220532 |
FMO2-MP2: Total energy | -178621.473604 |
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. |
-2.922 | -1.208 | -0.008 | -0.89 | -0.815 | 0.004 |
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 | 0.003 | 0.001 | 3.901 | -1.991 | -0.277 | -0.008 | -0.890 | -0.815 | 0.004 |
4 | E | 748 | PHE | 0 | 0.048 | 0.029 | 6.286 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | E | 749 | GLY | 0 | 0.009 | 0.015 | 9.356 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | E | 750 | LEU | 0 | -0.035 | -0.015 | 9.863 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | E | 751 | THR | 0 | 0.015 | -0.008 | 8.832 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | E | 752 | PRO | 0 | 0.038 | 0.009 | 6.252 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | E | 753 | LYS | 1 | 0.819 | 0.908 | 9.037 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | E | 754 | LYS | 1 | 0.866 | 0.917 | 11.929 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | E | 755 | VAL | 0 | 0.019 | 0.008 | 11.888 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | E | 756 | TYR | 0 | 0.022 | 0.000 | 14.847 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | E | 757 | LYS | 1 | 0.911 | 0.946 | 15.918 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | E | 758 | PRO | 0 | -0.001 | 0.006 | 21.082 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | E | 759 | GLU | -1 | -0.878 | -0.923 | 24.504 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | E | 760 | VAL | 0 | -0.029 | -0.012 | 27.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | E | 761 | GLN | 0 | -0.006 | -0.002 | 23.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | E | 762 | LEU | 0 | 0.004 | -0.003 | 25.538 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | E | 763 | ARG | 1 | 0.901 | 0.958 | 27.028 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | E | 764 | ARG | 1 | 0.944 | 0.966 | 22.530 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | E | 765 | PRO | 0 | 0.023 | 0.021 | 22.976 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | E | 766 | ASN | 0 | -0.010 | -0.002 | 22.536 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | E | 767 | TRP | 0 | 0.023 | 0.006 | 19.604 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | E | 768 | SER | 0 | 0.028 | 0.000 | 19.043 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | E | 769 | LYS | 1 | 0.856 | 0.940 | 11.233 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | E | 770 | PHE | 0 | 0.061 | 0.034 | 13.676 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | E | 771 | VAL | 0 | -0.106 | -0.070 | 7.491 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | E | 772 | ALA | 0 | -0.022 | -0.010 | 5.924 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | E | 773 | GLU | -1 | -0.882 | -0.959 | 5.870 | -0.753 | -0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | E | 774 | ASP | -1 | -0.827 | -0.896 | 8.554 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | E | 775 | LEU | 0 | -0.079 | -0.031 | 11.405 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | E | 776 | SER | 0 | 0.037 | 0.006 | 12.609 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | E | 777 | GLN | 0 | 0.025 | 0.004 | 15.192 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | E | 778 | ASP | -1 | -0.889 | -0.939 | 16.854 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | E | 779 | CYS | 0 | -0.103 | -0.005 | 16.457 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | E | 780 | PHE | 0 | 0.046 | 0.000 | 18.955 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | E | 781 | TRP | 0 | 0.018 | -0.016 | 15.976 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | E | 782 | THR | 0 | 0.021 | -0.001 | 14.547 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | E | 783 | LYS | 1 | 0.858 | 0.931 | 16.143 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | E | 784 | VAL | 0 | -0.013 | 0.011 | 18.040 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | E | 785 | LYS | 1 | 0.873 | 0.939 | 13.548 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | E | 786 | GLU | -1 | -0.791 | -0.878 | 16.507 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | E | 787 | ASP | -1 | -0.790 | -0.872 | 16.482 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | E | 788 | ARG | 1 | 0.868 | 0.908 | 19.999 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | E | 789 | PHE | 0 | -0.001 | 0.022 | 23.046 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | E | 790 | GLU | -1 | -0.803 | -0.897 | 25.022 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | E | 791 | ASN | 0 | -0.098 | -0.053 | 23.567 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | E | 792 | ASN | 0 | -0.007 | -0.002 | 26.043 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | E | 793 | GLU | -1 | -0.817 | -0.905 | 27.974 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | E | 794 | LEU | 0 | -0.009 | -0.019 | 27.013 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | E | 795 | PHE | 0 | 0.028 | 0.022 | 23.384 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | E | 796 | ALA | 0 | 0.046 | 0.038 | 28.121 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | E | 797 | LYS | 1 | 0.886 | 0.929 | 31.424 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | E | 798 | LEU | 0 | 0.017 | 0.013 | 26.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | E | 799 | THR | 0 | 0.010 | -0.024 | 29.121 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | E | 800 | LEU | 0 | -0.045 | -0.028 | 30.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | E | 801 | ALA | 0 | -0.019 | 0.009 | 33.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | E | 802 | PHE | 0 | -0.013 | -0.010 | 30.352 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | E | 803 | SER | 0 | -0.002 | 0.023 | 31.125 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | E | 804 | ALA | 0 | -0.040 | -0.033 | 30.840 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | E | 805 | GLN | 0 | -0.010 | -0.006 | 32.780 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | E | 806 | THR | 0 | 0.018 | 0.021 | 34.891 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | E | 828 | LYS | 1 | 0.855 | 0.915 | 52.258 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | E | 829 | VAL | 0 | -0.021 | -0.008 | 52.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | E | 830 | LYS | 1 | 0.841 | 0.903 | 55.411 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | E | 831 | GLU | -1 | -0.901 | -0.938 | 56.291 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | E | 832 | LEU | 0 | -0.043 | -0.016 | 55.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | E | 833 | LYS | 1 | 0.843 | 0.902 | 58.855 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | E | 834 | VAL | 0 | -0.049 | -0.017 | 61.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | E | 835 | LEU | 0 | -0.045 | -0.019 | 59.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | E | 836 | ASP | -1 | -0.743 | -0.850 | 55.162 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | E | 837 | SER | 0 | 0.006 | -0.006 | 51.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | E | 838 | LYS | 1 | 0.883 | 0.938 | 51.931 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | E | 839 | THR | 0 | 0.015 | -0.020 | 53.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | E | 840 | ALA | 0 | 0.040 | 0.017 | 55.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | E | 841 | GLN | 0 | -0.045 | -0.011 | 48.420 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | E | 842 | ASN | 0 | -0.004 | -0.011 | 52.502 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | E | 843 | LEU | 0 | 0.031 | 0.017 | 54.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | E | 844 | SER | 0 | -0.009 | -0.006 | 53.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | E | 845 | ILE | 0 | -0.026 | -0.004 | 50.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | E | 846 | PHE | 0 | 0.001 | 0.007 | 53.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | E | 847 | LEU | 0 | 0.017 | 0.000 | 57.218 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | E | 848 | GLY | 0 | -0.013 | 0.001 | 55.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | E | 849 | SER | 0 | -0.061 | -0.042 | 55.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | E | 850 | PHE | 0 | -0.017 | -0.016 | 57.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | E | 851 | ARG | 1 | 0.900 | 0.960 | 58.257 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | E | 852 | MET | 0 | -0.016 | 0.013 | 61.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | E | 853 | PRO | 0 | 0.042 | 0.018 | 65.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | E | 854 | TYR | 0 | 0.027 | -0.010 | 62.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | E | 855 | GLN | 0 | 0.037 | 0.001 | 68.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | E | 856 | GLU | -1 | -0.908 | -0.944 | 70.164 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | E | 857 | ILE | 0 | 0.011 | -0.003 | 65.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | E | 858 | LYS | 1 | 0.874 | 0.933 | 70.115 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | E | 859 | ASN | 0 | -0.008 | -0.007 | 72.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | E | 860 | VAL | 0 | 0.061 | 0.034 | 71.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | E | 861 | ILE | 0 | -0.021 | -0.014 | 70.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | E | 862 | LEU | 0 | -0.069 | -0.035 | 74.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | E | 863 | GLU | -1 | -0.837 | -0.924 | 77.639 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | E | 864 | VAL | 0 | -0.044 | -0.028 | 76.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | E | 865 | ASN | 0 | -0.018 | -0.021 | 75.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | E | 866 | GLU | -1 | -0.750 | -0.874 | 75.029 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | E | 867 | ALA | 0 | -0.049 | -0.002 | 75.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | E | 868 | VAL | 0 | -0.035 | -0.017 | 70.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | E | 869 | LEU | 0 | -0.029 | -0.012 | 70.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | E | 870 | THR | 0 | 0.028 | 0.008 | 67.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | E | 871 | GLU | -1 | -0.793 | -0.897 | 65.586 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | E | 872 | SER | 0 | 0.029 | 0.022 | 62.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | E | 873 | MET | 0 | -0.029 | 0.002 | 63.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | E | 874 | ILE | 0 | 0.014 | 0.004 | 65.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | E | 875 | GLN | 0 | -0.023 | -0.017 | 63.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | E | 876 | ASN | 0 | -0.077 | -0.052 | 59.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | E | 877 | LEU | 0 | 0.018 | 0.012 | 62.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | E | 878 | ILE | 0 | -0.028 | -0.016 | 64.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | E | 879 | LYS | 1 | 0.931 | 0.974 | 55.414 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | E | 880 | GLN | 0 | -0.048 | -0.030 | 56.876 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | E | 881 | MET | 0 | -0.009 | 0.018 | 60.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | E | 882 | PRO | 0 | 0.047 | 0.023 | 61.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | E | 883 | GLU | -1 | -0.925 | -0.955 | 62.470 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | E | 884 | PRO | 0 | -0.008 | -0.034 | 65.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | E | 885 | GLU | -1 | -0.912 | -0.945 | 66.445 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | E | 886 | GLN | 0 | 0.056 | 0.020 | 60.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | E | 887 | LEU | 0 | 0.000 | 0.004 | 65.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | E | 888 | LYS | 1 | 0.801 | 0.904 | 68.467 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | E | 889 | MET | 0 | 0.007 | 0.000 | 65.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | E | 890 | LEU | 0 | 0.003 | 0.010 | 63.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | E | 891 | SER | 0 | -0.038 | -0.026 | 68.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | E | 892 | GLU | -1 | -0.832 | -0.904 | 71.437 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | E | 893 | LEU | 0 | -0.007 | 0.006 | 66.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | E | 894 | LYS | 1 | 0.845 | 0.898 | 70.261 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | E | 895 | GLU | -1 | -0.954 | -0.958 | 72.494 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | E | 896 | GLU | -1 | -0.797 | -0.895 | 66.934 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | E | 897 | TYR | 0 | -0.002 | -0.010 | 66.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | E | 898 | ASP | -1 | -0.878 | -0.945 | 66.442 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | E | 899 | ASP | -1 | -0.924 | -0.947 | 64.198 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | E | 900 | LEU | 0 | -0.044 | -0.006 | 62.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | E | 901 | ALA | 0 | 0.029 | 0.003 | 58.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | E | 902 | GLU | -1 | -0.900 | -0.947 | 58.017 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | E | 903 | SER | 0 | -0.023 | -0.003 | 57.352 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | E | 904 | GLU | -1 | -0.717 | -0.861 | 60.224 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | E | 905 | GLN | 0 | -0.006 | -0.003 | 62.682 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | E | 906 | PHE | 0 | 0.026 | 0.006 | 63.199 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | E | 907 | GLY | 0 | 0.019 | 0.004 | 64.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | E | 908 | VAL | 0 | -0.004 | -0.001 | 66.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | E | 909 | VAL | 0 | -0.032 | -0.003 | 68.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | E | 910 | MET | 0 | 0.017 | 0.005 | 67.543 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | E | 911 | GLY | 0 | 0.008 | 0.007 | 69.898 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | E | 912 | THR | 0 | -0.071 | -0.033 | 71.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | E | 913 | VAL | 0 | -0.003 | 0.001 | 72.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | E | 914 | PRO | 0 | 0.022 | 0.009 | 75.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | E | 915 | ARG | 1 | 0.875 | 0.912 | 76.085 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | E | 916 | LEU | 0 | 0.050 | 0.045 | 69.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | E | 917 | ARG | 1 | 0.888 | 0.934 | 63.840 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | E | 918 | PRO | 0 | 0.005 | -0.001 | 71.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | E | 919 | ARG | 1 | 0.780 | 0.867 | 74.812 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | E | 920 | LEU | 0 | 0.016 | 0.005 | 67.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | E | 921 | ASN | 0 | 0.002 | -0.005 | 70.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | E | 922 | ALA | 0 | -0.003 | 0.000 | 72.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | E | 923 | ILE | 0 | -0.007 | -0.007 | 72.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | E | 924 | LEU | 0 | -0.010 | 0.000 | 67.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | E | 925 | PHE | 0 | -0.005 | -0.008 | 71.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | E | 926 | LYS | 1 | 0.876 | 0.933 | 74.037 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | E | 927 | LEU | 0 | -0.058 | -0.035 | 71.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | E | 928 | GLN | 0 | 0.000 | -0.011 | 67.796 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | E | 929 | PHE | 0 | -0.034 | 0.008 | 72.610 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | E | 930 | SER | 0 | -0.009 | -0.021 | 76.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | E | 931 | GLU | -1 | -0.785 | -0.877 | 69.976 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | E | 932 | GLN | 0 | 0.022 | -0.005 | 72.523 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | E | 933 | VAL | 0 | -0.029 | -0.025 | 73.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | E | 934 | GLU | -1 | -0.937 | -0.974 | 74.632 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | E | 935 | ASN | 0 | -0.042 | -0.014 | 70.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | E | 936 | ILE | 0 | -0.019 | -0.008 | 73.407 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | E | 937 | LYS | 1 | 0.968 | 0.980 | 76.314 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | E | 938 | PRO | 0 | 0.022 | 0.002 | 75.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | E | 939 | GLU | -1 | -0.822 | -0.906 | 72.341 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | E | 940 | ILE | 0 | 0.047 | 0.015 | 76.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | E | 941 | VAL | 0 | -0.026 | -0.006 | 80.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | E | 942 | SER | 0 | -0.032 | -0.025 | 77.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | E | 943 | VAL | 0 | 0.051 | 0.015 | 78.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | E | 944 | THR | 0 | -0.027 | -0.016 | 80.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | E | 945 | ALA | 0 | 0.004 | 0.001 | 82.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | E | 946 | ALA | 0 | -0.001 | 0.007 | 80.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | E | 947 | CYS | 0 | -0.038 | -0.024 | 82.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | E | 948 | GLU | -1 | -0.877 | -0.939 | 85.405 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | E | 949 | GLU | -1 | -0.818 | -0.897 | 82.999 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | E | 950 | LEU | 0 | -0.008 | -0.007 | 84.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | E | 951 | ARG | 1 | 0.875 | 0.949 | 86.614 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | E | 952 | LYS | 1 | 0.823 | 0.906 | 89.822 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | E | 953 | SER | 0 | -0.002 | -0.019 | 88.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | E | 954 | GLU | -1 | -0.836 | -0.924 | 90.292 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | E | 955 | ASN | 0 | -0.043 | -0.023 | 89.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | E | 956 | PHE | 0 | 0.021 | -0.006 | 84.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | E | 957 | SER | 0 | -0.059 | -0.043 | 88.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | E | 958 | SER | 0 | 0.031 | -0.002 | 91.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | E | 959 | LEU | 0 | -0.013 | 0.003 | 85.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | E | 960 | LEU | 0 | -0.020 | 0.006 | 86.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | E | 961 | GLU | -1 | -0.868 | -0.919 | 89.857 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | E | 962 | LEU | 0 | 0.004 | 0.001 | 90.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | E | 963 | THR | 0 | -0.045 | -0.048 | 86.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | E | 964 | LEU | 0 | -0.046 | -0.006 | 89.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | E | 965 | LEU | 0 | -0.021 | 0.002 | 92.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | E | 966 | VAL | 0 | 0.004 | -0.003 | 89.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | E | 967 | GLY | 0 | 0.027 | 0.008 | 89.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | E | 968 | ASN | 0 | -0.049 | -0.048 | 90.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | E | 969 | TYR | 0 | -0.032 | 0.003 | 93.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | E | 970 | MET | 0 | -0.028 | -0.024 | 86.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | E | 971 | ASN | 0 | -0.029 | -0.019 | 89.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | E | 972 | ALA | 0 | -0.034 | -0.005 | 91.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | E | 973 | GLY | 0 | 0.021 | 0.008 | 94.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | E | 974 | SER | 0 | -0.050 | -0.028 | 91.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | E | 975 | ARG | 1 | 0.874 | 0.930 | 86.503 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | E | 976 | ASN | 0 | -0.005 | 0.011 | 88.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | E | 977 | ALA | 0 | 0.063 | 0.027 | 92.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | E | 978 | GLY | 0 | 0.003 | 0.014 | 94.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | E | 979 | ALA | 0 | -0.008 | 0.008 | 93.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | E | 980 | PHE | 0 | 0.042 | 0.004 | 95.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | E | 981 | GLY | 0 | 0.037 | 0.018 | 92.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | E | 982 | PHE | 0 | -0.070 | -0.031 | 85.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | E | 983 | ASN | 0 | 0.019 | 0.022 | 83.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | E | 984 | ILE | 0 | 0.078 | 0.035 | 82.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | E | 985 | SER | 0 | 0.055 | 0.029 | 79.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | E | 986 | PHE | 0 | -0.066 | -0.044 | 79.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | E | 987 | LEU | 0 | 0.012 | 0.008 | 81.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | E | 988 | CYS | 0 | -0.016 | -0.001 | 76.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | E | 989 | LYS | 1 | 0.911 | 0.959 | 75.817 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | E | 990 | LEU | 0 | 0.011 | 0.015 | 78.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | E | 991 | ARG | 1 | 0.863 | 0.920 | 71.652 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | E | 992 | ASP | -1 | -0.824 | -0.914 | 74.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | E | 993 | THR | 0 | -0.033 | 0.002 | 77.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | E | 994 | LYS | 1 | 0.869 | 0.930 | 75.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | E | 995 | SER | 0 | -0.005 | -0.012 | 80.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | E | 996 | ALA | 0 | 0.051 | 0.023 | 80.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | E | 997 | ASP | -1 | -0.838 | -0.911 | 80.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | E | 998 | GLN | 0 | -0.019 | -0.018 | 75.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | E | 999 | LYS | 1 | 0.853 | 0.931 | 76.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | E | 1000 | MET | 0 | -0.014 | 0.017 | 78.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | E | 1001 | THR | 0 | 0.011 | -0.014 | 77.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | E | 1002 | LEU | 0 | 0.050 | 0.012 | 80.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | E | 1003 | LEU | 0 | 0.029 | 0.017 | 78.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | E | 1004 | HIS | 0 | -0.029 | 0.001 | 76.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | E | 1005 | PHE | 0 | 0.021 | 0.013 | 82.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | E | 1006 | LEU | 0 | 0.026 | 0.014 | 85.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | E | 1007 | ALA | 0 | 0.033 | 0.026 | 83.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | E | 1008 | GLU | -1 | -0.812 | -0.886 | 85.071 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | E | 1009 | LEU | 0 | -0.009 | 0.009 | 86.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | E | 1010 | CYS | 0 | -0.024 | -0.024 | 87.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | E | 1011 | GLU | -1 | -0.815 | -0.879 | 85.094 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | E | 1012 | ASN | 0 | -0.125 | -0.062 | 88.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | E | 1013 | ASP | -1 | -0.913 | -0.957 | 91.962 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | E | 1014 | HIS | 0 | -0.048 | -0.013 | 92.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | E | 1015 | PRO | 0 | 0.040 | 0.014 | 90.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | E | 1016 | GLU | -1 | -0.941 | -0.967 | 90.423 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | E | 1017 | VAL | 0 | 0.050 | 0.012 | 88.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | E | 1018 | LEU | 0 | -0.078 | -0.047 | 85.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | E | 1019 | LYS | 1 | 0.963 | 0.987 | 85.407 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | E | 1020 | PHE | 0 | 0.031 | 0.020 | 82.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | E | 1021 | PRO | 0 | -0.052 | -0.046 | 80.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | E | 1022 | ASP | -1 | -0.920 | -0.957 | 81.727 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | E | 1023 | GLU | -1 | -0.841 | -0.880 | 83.700 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | E | 1024 | LEU | 0 | -0.021 | 0.005 | 81.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | E | 1025 | ALA | 0 | 0.031 | 0.021 | 80.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | E | 1026 | HIS | 0 | -0.066 | -0.064 | 79.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | E | 1027 | VAL | 0 | 0.020 | 0.014 | 78.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | E | 1028 | GLU | -1 | -0.811 | -0.878 | 72.248 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | E | 1029 | LYS | 1 | 0.883 | 0.948 | 74.273 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | E | 1030 | ALA | 0 | 0.022 | 0.006 | 74.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | E | 1031 | SER | 0 | -0.069 | -0.035 | 73.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | E | 1032 | ARG | 1 | 0.781 | 0.868 | 67.641 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | E | 1033 | VAL | 0 | -0.024 | 0.014 | 70.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | E | 1034 | SER | 0 | -0.006 | 0.011 | 70.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | E | 1035 | ALA | 0 | 0.027 | 0.003 | 72.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | E | 1036 | GLU | -1 | -0.821 | -0.897 | 71.038 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | E | 1037 | ASN | 0 | 0.008 | -0.021 | 68.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | E | 1038 | LEU | 0 | 0.030 | 0.038 | 72.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | E | 1039 | GLN | 0 | -0.025 | -0.014 | 75.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | E | 1040 | LYS | 1 | 0.809 | 0.887 | 69.121 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | E | 1041 | SER | 0 | -0.004 | -0.013 | 72.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | E | 1042 | LEU | 0 | 0.004 | 0.005 | 74.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | E | 1043 | ASP | -1 | -0.844 | -0.905 | 76.718 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | E | 1044 | GLN | 0 | -0.032 | -0.016 | 69.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | E | 1045 | MET | 0 | 0.019 | 0.022 | 75.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | E | 1046 | LYS | 1 | 0.869 | 0.937 | 77.381 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | E | 1047 | LYS | 1 | 0.806 | 0.887 | 74.695 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | E | 1048 | GLN | 0 | 0.027 | 0.015 | 72.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | E | 1049 | ILE | 0 | 0.007 | 0.008 | 77.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | E | 1050 | ALA | 0 | 0.022 | 0.013 | 80.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | E | 1051 | ASP | -1 | -0.836 | -0.898 | 76.101 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | E | 1052 | VAL | 0 | 0.007 | 0.001 | 77.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | E | 1053 | GLU | -1 | -0.933 | -0.965 | 80.213 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | E | 1054 | ARG | 1 | 0.856 | 0.921 | 79.734 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | E | 1055 | ASP | -1 | -0.854 | -0.940 | 77.698 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | E | 1056 | VAL | 0 | -0.049 | -0.028 | 81.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | E | 1057 | GLN | 0 | -0.014 | -0.007 | 84.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | E | 1058 | ASN | 0 | -0.045 | -0.009 | 82.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | E | 1059 | PHE | 0 | -0.020 | 0.004 | 78.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | E | 1060 | PRO | 0 | -0.027 | -0.015 | 81.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | E | 1061 | ALA | 0 | 0.024 | 0.013 | 84.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | E | 1062 | ALA | 0 | 0.017 | 0.007 | 84.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | E | 1063 | THR | 0 | -0.024 | -0.011 | 83.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | E | 1064 | ASP | -1 | -0.818 | -0.890 | 80.904 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | E | 1065 | GLU | -1 | -0.897 | -0.948 | 84.206 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | E | 1066 | LYS | 1 | 0.795 | 0.879 | 78.654 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | E | 1067 | ASP | -1 | -0.836 | -0.876 | 80.892 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | E | 1068 | LYS | 1 | 0.854 | 0.904 | 81.720 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | E | 1069 | PHE | 0 | 0.020 | 0.024 | 77.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | E | 1070 | VAL | 0 | 0.046 | 0.017 | 81.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | E | 1071 | GLU | -1 | -0.815 | -0.872 | 84.734 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | E | 1072 | LYS | 1 | 0.849 | 0.901 | 80.050 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | E | 1073 | MET | 0 | -0.020 | -0.001 | 78.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | E | 1074 | THR | 0 | -0.021 | -0.022 | 82.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | E | 1075 | SER | 0 | -0.037 | -0.029 | 85.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | E | 1076 | PHE | 0 | -0.003 | 0.003 | 78.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | E | 1077 | VAL | 0 | 0.037 | 0.016 | 83.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | E | 1078 | LYS | 1 | 0.884 | 0.947 | 84.596 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | E | 1079 | ASP | -1 | -0.839 | -0.902 | 83.040 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | E | 1080 | ALA | 0 | 0.038 | 0.015 | 81.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | E | 1081 | GLN | 0 | 0.003 | -0.001 | 83.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | E | 1082 | GLU | -1 | -0.837 | -0.887 | 85.686 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | E | 1083 | GLN | 0 | -0.013 | -0.042 | 82.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | E | 1084 | TYR | 0 | -0.011 | -0.009 | 80.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | E | 1085 | ASN | 0 | -0.060 | -0.042 | 83.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | E | 1086 | LYS | 1 | 0.797 | 0.893 | 86.127 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | E | 1087 | LEU | 0 | 0.017 | 0.006 | 79.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | E | 1088 | ARG | 1 | 0.947 | 0.977 | 83.639 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | E | 1089 | MET | 0 | -0.022 | -0.008 | 84.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | E | 1090 | MET | 0 | -0.033 | -0.018 | 83.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | E | 1091 | HIS | 0 | 0.023 | 0.017 | 79.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | E | 1092 | SER | 0 | 0.018 | 0.008 | 83.750 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | E | 1093 | ASN | 0 | -0.047 | -0.004 | 86.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | E | 1094 | MET | 0 | -0.001 | 0.015 | 80.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | E | 1095 | GLU | -1 | -0.885 | -0.954 | 82.675 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | E | 1096 | THR | 0 | -0.047 | -0.038 | 85.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | E | 1097 | LEU | 0 | 0.019 | 0.005 | 86.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | E | 1098 | TYR | 0 | -0.023 | -0.033 | 80.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | E | 1099 | LYS | 1 | 0.743 | 0.842 | 85.629 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | E | 1100 | GLU | -1 | -0.928 | -0.965 | 88.175 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | E | 1101 | LEU | 0 | -0.039 | -0.017 | 85.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | E | 1102 | GLY | 0 | -0.004 | 0.006 | 87.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | E | 1103 | ASP | -1 | -0.805 | -0.886 | 87.895 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | E | 1104 | TYR | 0 | -0.062 | -0.030 | 91.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | E | 1105 | PHE | 0 | 0.018 | -0.006 | 88.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | E | 1106 | VAL | 0 | -0.039 | -0.004 | 88.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | E | 1107 | PHE | 0 | -0.029 | -0.013 | 83.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | E | 1108 | ASP | -1 | -0.759 | -0.863 | 84.179 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | E | 1109 | PRO | 0 | 0.036 | 0.023 | 83.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | E | 1110 | LYS | 1 | 0.837 | 0.900 | 81.799 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | E | 1111 | LYS | 1 | 0.791 | 0.880 | 79.090 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | E | 1112 | LEU | 0 | 0.056 | 0.048 | 76.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | E | 1113 | SER | 0 | -0.006 | 0.001 | 74.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | E | 1114 | VAL | 0 | 0.039 | 0.006 | 77.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | E | 1115 | GLU | -1 | -0.761 | -0.862 | 72.537 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | E | 1116 | GLU | -1 | -0.910 | -0.954 | 71.938 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | E | 1117 | PHE | 0 | -0.008 | 0.000 | 74.888 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | E | 1118 | PHE | 0 | 0.013 | -0.016 | 77.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | E | 1119 | MET | 0 | 0.006 | 0.008 | 69.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | E | 1120 | ASP | -1 | -0.904 | -0.955 | 74.510 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | E | 1121 | LEU | 0 | -0.042 | -0.023 | 76.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | E | 1122 | HIS | 0 | 0.019 | 0.031 | 71.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | E | 1123 | ASN | 0 | -0.006 | -0.011 | 71.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | E | 1124 | PHE | 0 | 0.037 | 0.004 | 74.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | E | 1125 | ARG | 1 | 0.831 | 0.923 | 76.124 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | E | 1126 | ASN | 0 | 0.005 | -0.008 | 72.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | E | 1127 | MET | 0 | -0.040 | -0.022 | 74.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | E | 1128 | PHE | 0 | 0.024 | 0.024 | 76.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | E | 1129 | LEU | 0 | 0.025 | 0.009 | 77.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | E | 1130 | GLN | 0 | -0.088 | -0.048 | 72.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | E | 1131 | ALA | 0 | 0.002 | -0.005 | 76.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | E | 1132 | VAL | 0 | 0.049 | 0.021 | 78.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | E | 1133 | LYS | 1 | 0.976 | 0.993 | 74.808 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | E | 1134 | GLU | -1 | -0.864 | -0.910 | 73.548 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | E | 1135 | ASN | 0 | -0.002 | -0.002 | 77.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | E | 1136 | GLN | 0 | -0.037 | -0.013 | 80.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | E | 1137 | LYS | 1 | 0.934 | 0.976 | 73.979 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | E | 1138 | ARG | 1 | 0.783 | 0.868 | 78.347 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | E | 1139 | ARG | 1 | 0.790 | 0.843 | 79.666 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | E | 1140 | GLU | -1 | -0.871 | -0.928 | 79.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | E | 1141 | THR | 0 | -0.087 | -0.057 | 77.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | E | 1142 | GLU | -1 | -0.848 | -0.922 | 80.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | E | 1143 | GLU | -1 | -0.805 | -0.876 | 83.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | E | 1144 | LYS | 1 | 0.840 | 0.906 | 79.285 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | E | 1145 | MET | 0 | 0.015 | 0.016 | 81.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | E | 1146 | ARG | 1 | 0.901 | 0.952 | 83.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | E | 1147 | ARG | 1 | 0.869 | 0.901 | 86.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | E | 1148 | ALA | 0 | 0.025 | 0.014 | 83.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | E | 1149 | LYS | 1 | 0.789 | 0.877 | 85.166 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | E | 1150 | LEU | 0 | 0.028 | 0.012 | 86.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | E | 1151 | ALA | 0 | 0.006 | 0.010 | 87.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | E | 1152 | LYS | 1 | 0.978 | 0.988 | 84.596 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | E | 1153 | GLU | -1 | -0.829 | -0.901 | 87.764 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | E | 1154 | LYS | 1 | 0.819 | 0.898 | 90.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | E | 1155 | ALA | 0 | 0.032 | 0.015 | 89.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | E | 1156 | GLU | -1 | -0.752 | -0.849 | 89.598 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | E | 1157 | LYS | 1 | 0.867 | 0.932 | 91.462 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | E | 1158 | GLU | -1 | -0.852 | -0.923 | 94.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | E | 1159 | ARG | 1 | 0.831 | 0.887 | 90.120 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | E | 1160 | LEU | 0 | 0.020 | 0.006 | 93.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | E | 1161 | GLU | -1 | -0.794 | -0.871 | 95.488 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | E | 1162 | LYS | 1 | 0.843 | 0.908 | 94.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | E | 1163 | GLN | 0 | -0.040 | -0.008 | 94.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | E | 1164 | GLN | 0 | 0.106 | 0.051 | 97.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | E | 1165 | LYS | 1 | 0.854 | 0.929 | 100.424 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | E | 1166 | ARG | 1 | 0.849 | 0.919 | 94.431 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | E | 1167 | GLU | -1 | -0.812 | -0.908 | 96.692 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | E | 1168 | GLN | 0 | -0.037 | -0.028 | 100.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | E | 1169 | LEU | 0 | -0.079 | -0.018 | 101.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | E | 1170 | ILE | 0 | -0.025 | -0.019 | 101.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | E | 1171 | ASP | -1 | -0.855 | -0.902 | 102.774 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | E | 1172 | MET | 0 | -0.073 | -0.036 | 99.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | E | 1173 | ASN | 0 | -0.135 | -0.077 | 100.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | E | 1174 | ALA | 0 | -0.046 | -0.049 | 101.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | E | 1175 | GLU | -1 | -0.828 | -0.890 | 104.454 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | E | 1176 | GLY | 0 | -0.024 | -0.005 | 107.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | E | 1177 | ASP | -1 | -0.930 | -0.963 | 107.153 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | E | 1178 | GLU | -1 | -0.929 | -0.965 | 109.866 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | E | 1179 | THR | 0 | -0.037 | -0.038 | 110.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | E | 1180 | GLY | 0 | 0.028 | 0.026 | 110.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | E | 1181 | VAL | 0 | 0.039 | 0.034 | 105.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | E | 1182 | MET | 0 | 0.002 | -0.001 | 102.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | E | 1183 | ASP | -1 | -0.863 | -0.940 | 107.103 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | E | 1184 | SER | 0 | -0.027 | -0.028 | 108.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | E | 1185 | LEU | 0 | -0.032 | -0.013 | 102.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | E | 1186 | LEU | 0 | -0.021 | -0.015 | 104.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | E | 1187 | GLU | -1 | -0.794 | -0.867 | 107.023 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | E | 1188 | ALA | 0 | 0.005 | 0.008 | 105.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | E | 1189 | LEU | 0 | -0.060 | -0.036 | 101.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | E | 1190 | GLN | 0 | -0.080 | -0.037 | 104.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | E | 1191 | SER | 0 | -0.051 | -0.053 | 107.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | E | 1192 | GLY | 0 | -0.021 | -0.011 | 104.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | E | 1193 | ALA | 0 | -0.057 | -0.023 | 104.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | E | 1194 | ALA | 0 | 0.061 | 0.023 | 101.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | E | 1195 | PHE | 0 | -0.059 | -0.026 | 99.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | E | 1196 | ARG | 1 | 0.933 | 0.983 | 101.154 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | E | 1197 | ARG | 1 | 0.984 | 0.989 | 99.689 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | E | 1198 | LYS | 1 | 0.848 | 0.918 | 96.675 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |