FMODB ID: VQQR1
Calculation Name: 4A2Q-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4A2Q
Chain ID: D
UniProt ID: D3TI84
Base Structure: X-ray
Registration Date: 2023-09-21
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 | 676 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14713635.247102 |
---|---|
FMO2-HF: Nuclear repulsion | 14438231.023917 |
FMO2-HF: Total energy | -275404.223185 |
FMO2-MP2: Total energy | -276197.337375 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(D:2:THR)
Summations of interaction energy for
fragment #1(D:2:THR)
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. |
-55.803 | -57.548 | 31.236 | -16.784 | -12.707 | -0.091 |
Interaction energy analysis for fragmet #1(D:2:THR)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | D | 4 | ASP | -1 | -0.847 | -0.909 | 2.817 | -1.949 | 1.749 | 0.341 | -1.807 | -2.232 | 0.009 |
4 | D | 5 | GLU | -1 | -0.811 | -0.877 | 1.658 | -49.482 | -57.085 | 30.724 | -14.068 | -9.053 | -0.109 |
5 | D | 6 | LYS | 1 | 0.820 | 0.912 | 4.230 | -1.978 | -1.564 | 0.001 | -0.087 | -0.328 | 0.000 |
6 | D | 7 | ARG | 1 | 0.808 | 0.887 | 5.956 | -1.640 | -1.640 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 8 | SER | 0 | -0.004 | 0.003 | 7.454 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 9 | LEU | 0 | 0.015 | 0.003 | 8.229 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 10 | GLN | 0 | 0.015 | 0.004 | 10.018 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 11 | CYS | 0 | -0.046 | -0.023 | 11.906 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 12 | TYR | 0 | -0.044 | -0.019 | 12.434 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 13 | ARG | 1 | 0.787 | 0.874 | 15.190 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 14 | ARG | 1 | 0.881 | 0.907 | 16.486 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 15 | TYR | 0 | -0.067 | -0.039 | 17.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 16 | ILE | 0 | 0.045 | 0.042 | 13.562 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 17 | GLU | -1 | -0.821 | -0.905 | 17.961 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 18 | ARG | 1 | 0.763 | 0.845 | 20.139 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 19 | SER | 0 | 0.003 | -0.001 | 20.784 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 20 | LEU | 0 | 0.004 | 0.006 | 16.376 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 21 | ASN | 0 | 0.055 | 0.020 | 20.519 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 22 | PRO | 0 | 0.028 | 0.001 | 19.539 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 23 | VAL | 0 | 0.002 | 0.011 | 20.602 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 24 | TYR | 0 | -0.046 | -0.034 | 22.414 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 25 | VAL | 0 | 0.036 | 0.024 | 16.364 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 26 | LEU | 0 | -0.026 | -0.027 | 17.707 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 27 | GLY | 0 | -0.044 | -0.012 | 19.389 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 28 | ASN | 0 | -0.044 | -0.018 | 17.569 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 29 | MET | 0 | 0.053 | 0.022 | 13.292 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 30 | THR | 0 | -0.019 | -0.021 | 16.218 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 31 | ASP | -1 | -0.930 | -0.954 | 14.807 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 32 | TRP | 0 | -0.068 | -0.028 | 10.114 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 33 | LEU | 0 | 0.015 | 0.009 | 13.272 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 34 | PRO | 0 | 0.039 | 0.030 | 15.930 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 35 | ASP | -1 | -0.814 | -0.914 | 19.133 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 36 | GLU | -1 | -0.858 | -0.915 | 22.540 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 37 | LEU | 0 | 0.032 | 0.027 | 16.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 38 | ARG | 1 | 0.808 | 0.891 | 18.556 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 39 | GLU | -1 | -0.812 | -0.891 | 21.104 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 40 | ARG | 1 | 0.813 | 0.880 | 20.732 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 41 | ILE | 0 | 0.007 | 0.001 | 18.132 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 42 | ARG | 1 | 0.908 | 0.942 | 22.546 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 43 | LYS | 1 | 0.893 | 0.947 | 25.420 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 44 | GLU | -1 | -0.876 | -0.924 | 23.972 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 45 | GLU | -1 | -0.910 | -0.953 | 25.206 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 46 | GLU | -1 | -0.922 | -0.968 | 26.823 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 47 | ARG | 1 | 0.763 | 0.891 | 27.813 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 48 | GLY | 0 | 0.053 | 0.016 | 28.519 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 49 | VAL | 0 | 0.012 | 0.020 | 24.344 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 50 | SER | 0 | 0.023 | 0.003 | 23.576 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 51 | GLY | 0 | 0.008 | 0.030 | 22.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 52 | ALA | 0 | 0.038 | 0.021 | 22.298 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 53 | ALA | 0 | -0.011 | -0.006 | 19.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 54 | ALA | 0 | 0.004 | 0.008 | 17.924 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 55 | LEU | 0 | -0.019 | -0.007 | 17.772 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 56 | PHE | 0 | 0.003 | -0.012 | 14.489 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 57 | LEU | 0 | 0.013 | 0.007 | 12.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 58 | ASP | -1 | -0.820 | -0.908 | 12.960 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 59 | ALA | 0 | -0.052 | -0.016 | 13.918 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 60 | VAL | 0 | 0.007 | -0.013 | 9.416 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 61 | LEU | 0 | -0.030 | -0.004 | 8.593 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 62 | GLN | 0 | -0.079 | -0.029 | 9.150 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 63 | LEU | 0 | -0.011 | 0.021 | 9.032 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 64 | GLU | -1 | -0.930 | -0.969 | 4.963 | 3.681 | 3.681 | -0.001 | -0.005 | 0.006 | 0.000 |
64 | D | 65 | ALA | 0 | 0.014 | 0.013 | 7.106 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 66 | ARG | 1 | 0.938 | 0.942 | 6.565 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 67 | GLY | 0 | 0.045 | 0.029 | 6.180 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 68 | TRP | 0 | 0.033 | 0.020 | 3.089 | -4.966 | -3.292 | 0.172 | -0.813 | -1.033 | 0.009 |
68 | D | 69 | PHE | 0 | 0.027 | 0.022 | 4.610 | 0.050 | 0.122 | -0.001 | -0.004 | -0.067 | 0.000 |
69 | D | 70 | ARG | 1 | 0.754 | 0.829 | 6.498 | 1.599 | 1.599 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 71 | GLY | 0 | 0.057 | 0.016 | 8.890 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 72 | MET | 0 | -0.027 | -0.017 | 9.070 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 73 | LEU | 0 | 0.023 | 0.018 | 9.132 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 74 | ASP | -1 | -0.815 | -0.896 | 12.262 | -0.830 | -0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 75 | ALA | 0 | -0.027 | -0.009 | 14.246 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 76 | MET | 0 | -0.059 | -0.031 | 14.090 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 77 | LEU | 0 | -0.027 | -0.013 | 16.234 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 78 | ALA | 0 | -0.038 | -0.016 | 18.561 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 79 | ALA | 0 | -0.029 | -0.008 | 19.697 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 80 | GLY | 0 | 0.037 | 0.029 | 21.408 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 81 | TYR | 0 | -0.032 | -0.021 | 18.942 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 82 | THR | 0 | 0.017 | -0.009 | 18.736 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 83 | GLY | 0 | 0.024 | 0.032 | 19.239 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 84 | LEU | 0 | -0.011 | -0.020 | 16.783 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 85 | ALA | 0 | 0.020 | 0.013 | 14.648 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 86 | GLU | -1 | -0.861 | -0.900 | 14.280 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 87 | ALA | 0 | 0.042 | 0.023 | 15.191 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 88 | ILE | 0 | -0.051 | -0.035 | 10.485 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 89 | GLU | -1 | -0.822 | -0.878 | 10.143 | -1.434 | -1.434 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 90 | ASN | 0 | -0.108 | -0.072 | 11.144 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 91 | TRP | 0 | -0.007 | 0.007 | 6.843 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 92 | ASP | -1 | -0.765 | -0.834 | 13.079 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 93 | PHE | 0 | 0.017 | -0.015 | 13.911 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 94 | SER | 0 | -0.114 | -0.082 | 19.048 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 95 | LYS | 1 | 0.812 | 0.872 | 21.496 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 96 | LEU | 0 | 0.012 | 0.014 | 19.794 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 97 | GLU | -1 | -0.795 | -0.850 | 23.404 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 98 | LYS | 1 | 0.782 | 0.879 | 25.154 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 99 | LEU | 0 | 0.033 | 0.026 | 26.325 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 100 | GLU | -1 | -0.781 | -0.857 | 26.732 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 101 | LEU | 0 | -0.005 | 0.009 | 29.247 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 102 | HIS | 0 | 0.048 | 0.013 | 32.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 103 | ARG | 1 | 0.862 | 0.911 | 26.854 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 104 | GLN | 0 | 0.008 | 0.007 | 32.485 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 105 | LEU | 0 | -0.026 | -0.009 | 34.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 106 | LEU | 0 | 0.001 | -0.006 | 34.410 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 107 | LYS | 1 | 0.911 | 0.931 | 33.538 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 108 | ARG | 1 | 0.752 | 0.869 | 37.204 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 109 | ILE | 0 | 0.010 | -0.005 | 40.296 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 110 | GLU | -1 | -0.815 | -0.879 | 37.986 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 111 | ALA | 0 | 0.035 | 0.019 | 41.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 112 | THR | 0 | -0.054 | -0.052 | 45.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 113 | MET | 0 | -0.026 | -0.021 | 40.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 114 | LEU | 0 | -0.022 | 0.012 | 43.982 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 115 | GLU | -1 | -0.786 | -0.886 | 45.714 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 116 | VAL | 0 | -0.043 | -0.015 | 43.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 117 | ASP | -1 | -0.787 | -0.890 | 44.386 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 118 | PRO | 0 | 0.024 | 0.011 | 40.350 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 119 | VAL | 0 | -0.006 | 0.000 | 40.936 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 120 | ALA | 0 | -0.039 | -0.019 | 42.814 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 121 | LEU | 0 | 0.002 | -0.002 | 39.425 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 122 | ILE | 0 | 0.038 | 0.017 | 36.230 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 123 | PRO | 0 | -0.033 | -0.017 | 37.577 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 124 | TYR | 0 | -0.044 | -0.021 | 38.816 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 125 | ILE | 0 | -0.007 | -0.014 | 34.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 126 | SER | 0 | 0.001 | 0.011 | 33.556 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 127 | THR | 0 | -0.010 | -0.013 | 30.293 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 128 | CYS | 0 | -0.067 | -0.022 | 29.471 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 129 | LEU | 0 | 0.009 | 0.039 | 28.906 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 130 | ILE | 0 | 0.026 | 0.013 | 23.808 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 131 | ASP | -1 | -0.862 | -0.933 | 27.531 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 132 | ARG | 1 | 0.926 | 0.949 | 25.277 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 133 | GLU | -1 | -0.778 | -0.875 | 28.155 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 134 | CYS | 0 | -0.073 | -0.032 | 31.129 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 135 | GLU | -1 | -0.909 | -0.957 | 32.201 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 136 | GLU | -1 | -0.809 | -0.896 | 32.060 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 137 | ILE | 0 | -0.019 | -0.011 | 33.902 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 138 | GLN | 0 | -0.042 | -0.033 | 37.103 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 139 | GLN | 0 | 0.019 | 0.008 | 37.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 140 | ILE | 0 | -0.026 | -0.010 | 36.484 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 141 | SER | 0 | 0.003 | -0.030 | 40.452 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 142 | GLU | -1 | -0.978 | -0.956 | 42.871 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 143 | ASN | 0 | -0.067 | -0.044 | 42.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 144 | ARG | 1 | 0.917 | 0.979 | 41.902 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 145 | SER | 0 | 0.001 | -0.036 | 44.292 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 146 | LYS | 1 | 0.865 | 0.931 | 44.039 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 147 | ALA | 0 | 0.060 | 0.032 | 43.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 148 | ALA | 0 | 0.037 | 0.033 | 41.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 149 | GLY | 0 | 0.036 | 0.018 | 39.834 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 150 | ILE | 0 | -0.025 | -0.012 | 38.934 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 151 | THR | 0 | 0.011 | -0.019 | 38.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 152 | LYS | 1 | 0.810 | 0.904 | 31.166 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 153 | LEU | 0 | -0.020 | -0.003 | 34.401 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 154 | ILE | 0 | 0.007 | -0.015 | 34.321 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 155 | GLU | -1 | -0.911 | -0.936 | 31.489 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 156 | CYS | 0 | -0.014 | -0.008 | 29.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 157 | LEU | 0 | 0.008 | 0.007 | 29.444 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 158 | CYS | 0 | -0.114 | -0.051 | 30.464 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 159 | ARG | 1 | 0.789 | 0.882 | 22.917 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 160 | SER | 0 | -0.034 | -0.018 | 25.185 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 161 | ASP | -1 | -0.832 | -0.933 | 21.640 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 162 | LYS | 1 | 0.870 | 0.936 | 23.703 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 163 | GLU | -1 | -0.771 | -0.896 | 26.322 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 164 | HIS | 0 | 0.021 | 0.007 | 28.197 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 165 | TRP | 0 | 0.094 | 0.032 | 29.393 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 166 | PRO | 0 | -0.006 | 0.004 | 31.998 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 167 | LYS | 1 | 0.872 | 0.943 | 34.909 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 168 | SER | 0 | 0.040 | 0.016 | 34.056 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 169 | LEU | 0 | 0.039 | 0.025 | 36.638 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 170 | GLN | 0 | -0.021 | -0.004 | 38.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 171 | LEU | 0 | 0.053 | 0.032 | 40.228 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 172 | ALA | 0 | 0.029 | 0.028 | 39.902 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 173 | LEU | 0 | 0.005 | 0.005 | 41.780 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 174 | ASP | -1 | -0.861 | -0.913 | 44.374 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 175 | THR | 0 | -0.078 | -0.046 | 44.576 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 176 | THR | 0 | -0.044 | -0.033 | 44.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 177 | GLY | 0 | 0.010 | 0.016 | 47.470 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 178 | TYR | 0 | -0.023 | -0.024 | 46.872 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 179 | TYR | 0 | -0.042 | -0.027 | 48.210 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 180 | ARG | 1 | 0.791 | 0.884 | 49.627 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 181 | ALA | 0 | 0.062 | 0.030 | 45.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 182 | SER | 0 | -0.043 | -0.057 | 44.799 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 183 | GLU | -1 | -0.890 | -0.930 | 45.212 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 184 | LEU | 0 | -0.005 | -0.001 | 45.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 185 | TRP | 0 | -0.010 | 0.008 | 36.122 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 186 | ASP | -1 | -0.870 | -0.907 | 40.037 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 245 | LYS | 1 | 0.859 | 0.885 | 79.857 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 246 | ALA | 0 | -0.030 | -0.004 | 81.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 247 | ARG | 1 | 0.860 | 0.938 | 77.979 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 248 | SER | 0 | 0.041 | 0.002 | 84.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 249 | TYR | 0 | -0.015 | -0.039 | 81.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 250 | GLN | 0 | -0.053 | -0.029 | 80.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 251 | ILE | 0 | 0.048 | 0.020 | 86.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 252 | GLU | -1 | -0.749 | -0.850 | 88.705 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 253 | LEU | 0 | -0.035 | -0.021 | 85.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 254 | ALA | 0 | 0.045 | 0.026 | 87.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 255 | GLN | 0 | -0.013 | -0.001 | 89.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 256 | PRO | 0 | 0.003 | 0.005 | 92.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 257 | ALA | 0 | 0.029 | 0.010 | 90.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 258 | ILE | 0 | 0.006 | 0.006 | 89.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 259 | ASN | 0 | -0.103 | -0.055 | 92.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 260 | GLY | 0 | 0.012 | 0.009 | 94.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 261 | LYS | 1 | 0.810 | 0.894 | 95.055 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 262 | ASN | 0 | 0.036 | 0.026 | 93.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 263 | ALA | 0 | -0.019 | -0.010 | 91.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 264 | LEU | 0 | 0.012 | 0.002 | 88.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 265 | ILE | 0 | 0.007 | 0.001 | 85.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 266 | CYS | 0 | -0.012 | 0.008 | 86.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 267 | ALA | 0 | 0.028 | 0.015 | 84.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 268 | PRO | 0 | 0.041 | 0.030 | 82.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 269 | THR | 0 | 0.011 | -0.017 | 76.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 270 | GLY | 0 | 0.035 | 0.025 | 77.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 271 | SER | 0 | -0.009 | -0.014 | 78.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 272 | GLY | 0 | 0.049 | 0.034 | 78.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 273 | LYS | 1 | 0.830 | 0.911 | 79.683 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 274 | THR | 0 | 0.051 | 0.003 | 75.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 275 | PHE | 0 | -0.009 | 0.018 | 78.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 276 | VAL | 0 | 0.040 | 0.014 | 79.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 277 | SER | 0 | -0.037 | -0.029 | 80.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 278 | ILE | 0 | 0.021 | 0.011 | 77.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 279 | LEU | 0 | 0.018 | 0.015 | 81.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 280 | ILE | 0 | -0.008 | -0.001 | 83.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 281 | CYS | 0 | -0.055 | -0.005 | 82.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 282 | GLU | -1 | -0.764 | -0.853 | 81.306 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 283 | HIS | 0 | 0.015 | 0.002 | 84.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 284 | HIS | 0 | 0.006 | 0.023 | 87.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 285 | PHE | 0 | -0.007 | -0.024 | 82.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 286 | GLN | 0 | -0.064 | -0.034 | 87.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 287 | ASN | 0 | -0.059 | -0.028 | 89.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 288 | MET | 0 | -0.026 | 0.029 | 89.731 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 289 | PRO | 0 | -0.005 | 0.012 | 92.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 290 | ALA | 0 | -0.012 | -0.027 | 94.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 291 | GLY | 0 | 0.016 | 0.010 | 93.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 292 | ARG | 1 | 0.861 | 0.918 | 92.161 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 293 | LYS | 1 | 1.010 | 0.994 | 84.345 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 294 | ALA | 0 | -0.001 | 0.009 | 86.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 295 | LYS | 1 | 0.817 | 0.914 | 83.265 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 296 | VAL | 0 | -0.004 | 0.000 | 82.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 297 | VAL | 0 | 0.023 | 0.016 | 80.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 298 | PHE | 0 | -0.014 | -0.012 | 77.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 299 | LEU | 0 | 0.008 | 0.013 | 78.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 300 | ALA | 0 | 0.024 | 0.001 | 75.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 301 | THR | 0 | -0.011 | -0.005 | 76.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 302 | LYS | 1 | 0.897 | 0.954 | 72.892 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 303 | VAL | 0 | 0.115 | 0.053 | 68.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 304 | PRO | 0 | 0.035 | 0.017 | 67.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 305 | VAL | 0 | -0.011 | -0.002 | 69.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 306 | TYR | 0 | 0.006 | -0.019 | 69.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 307 | GLU | -1 | -0.757 | -0.861 | 66.251 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 308 | GLN | 0 | -0.032 | -0.015 | 67.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 309 | GLN | 0 | 0.012 | 0.020 | 69.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 310 | LYS | 1 | 0.866 | 0.928 | 67.977 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 311 | ASN | 0 | -0.051 | -0.038 | 66.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 312 | VAL | 0 | -0.045 | -0.016 | 69.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 313 | PHE | 0 | 0.010 | -0.017 | 71.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 314 | LYS | 1 | 0.806 | 0.898 | 69.165 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 315 | HIS | 0 | 0.041 | 0.038 | 66.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 316 | HIS | 0 | -0.048 | -0.025 | 70.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 317 | PHE | 0 | 0.021 | 0.002 | 74.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 318 | GLU | -1 | -0.781 | -0.874 | 70.009 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 319 | ARG | 1 | 0.784 | 0.880 | 69.594 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 320 | GLN | 0 | -0.084 | -0.052 | 73.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 321 | GLY | 0 | -0.010 | 0.004 | 76.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 322 | TYR | 0 | -0.046 | -0.007 | 77.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 323 | SER | 0 | -0.030 | -0.024 | 75.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 324 | VAL | 0 | 0.026 | 0.007 | 73.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 325 | GLN | 0 | 0.006 | -0.001 | 72.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 326 | GLY | 0 | 0.032 | -0.004 | 71.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 327 | ILE | 0 | 0.039 | 0.045 | 71.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 328 | SER | 0 | -0.017 | -0.027 | 69.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 329 | GLY | 0 | -0.014 | -0.008 | 71.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 330 | GLU | -1 | -0.940 | -0.956 | 64.135 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 331 | ASN | 0 | -0.038 | -0.038 | 65.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 332 | PHE | 0 | 0.035 | 0.022 | 65.494 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 333 | SER | 0 | 0.011 | 0.012 | 67.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 334 | ASN | 0 | -0.046 | -0.042 | 68.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 335 | VAL | 0 | 0.011 | -0.007 | 70.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 336 | SER | 0 | -0.009 | -0.018 | 73.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 337 | VAL | 0 | 0.041 | 0.015 | 76.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 338 | GLU | -1 | -0.756 | -0.845 | 78.721 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 339 | LYS | 1 | 0.855 | 0.918 | 77.500 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 340 | VAL | 0 | -0.016 | 0.018 | 74.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 341 | ILE | 0 | 0.002 | 0.016 | 77.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 342 | GLU | -1 | -0.909 | -0.951 | 80.754 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 343 | ASP | -1 | -0.917 | -0.955 | 76.976 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 344 | SER | 0 | -0.060 | -0.047 | 77.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 345 | ASP | -1 | -0.855 | -0.914 | 78.991 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 346 | ILE | 0 | -0.037 | -0.023 | 77.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 347 | ILE | 0 | 0.001 | 0.007 | 76.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 348 | VAL | 0 | -0.016 | 0.000 | 74.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 349 | VAL | 0 | 0.005 | -0.009 | 75.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 350 | THR | 0 | 0.024 | 0.008 | 74.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 351 | PRO | 0 | 0.004 | 0.002 | 76.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 352 | GLN | 0 | 0.030 | -0.005 | 78.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 353 | ILE | 0 | -0.008 | 0.021 | 74.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 354 | LEU | 0 | 0.019 | 0.028 | 78.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 355 | VAL | 0 | -0.007 | -0.004 | 82.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 356 | ASN | 0 | 0.042 | 0.023 | 78.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 357 | SER | 0 | 0.026 | 0.008 | 80.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 358 | PHE | 0 | -0.048 | -0.036 | 82.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 359 | GLU | -1 | -1.011 | -1.000 | 85.066 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 360 | ASP | -1 | -0.869 | -0.919 | 80.990 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 361 | GLY | 0 | 0.023 | 0.014 | 84.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 362 | THR | 0 | -0.120 | -0.076 | 80.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 363 | LEU | 0 | 0.006 | 0.001 | 83.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 364 | THR | 0 | -0.001 | -0.017 | 86.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 365 | SER | 0 | -0.031 | -0.019 | 89.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 366 | LEU | 0 | 0.006 | 0.005 | 87.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 367 | SER | 0 | -0.053 | -0.051 | 89.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 368 | ILE | 0 | -0.010 | 0.017 | 85.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 369 | PHE | 0 | -0.017 | -0.009 | 83.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 370 | THR | 0 | -0.005 | -0.023 | 87.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 371 | LEU | 0 | -0.034 | -0.009 | 85.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 372 | MET | 0 | -0.011 | 0.007 | 85.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 373 | ILE | 0 | -0.009 | -0.008 | 82.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 374 | PHE | 0 | 0.049 | 0.017 | 82.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 375 | ASP | -1 | -0.741 | -0.872 | 78.126 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 376 | GLU | -1 | -0.929 | -0.961 | 78.756 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 377 | CYS | 0 | -0.006 | 0.019 | 82.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 378 | HIS | 0 | 0.076 | 0.064 | 82.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 379 | ASN | 0 | -0.102 | -0.050 | 81.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 380 | THR | 0 | -0.024 | -0.030 | 85.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 381 | THR | 0 | 0.011 | -0.001 | 88.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 382 | GLY | 0 | 0.023 | 0.017 | 88.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 383 | ASN | 0 | 0.038 | 0.008 | 86.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 384 | HIS | 0 | -0.001 | 0.026 | 81.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 385 | PRO | 0 | 0.051 | 0.012 | 81.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 386 | TYR | 0 | -0.048 | -0.050 | 80.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 387 | ASN | 0 | 0.017 | 0.000 | 85.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 388 | VAL | 0 | 0.021 | 0.034 | 86.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 389 | LEU | 0 | -0.022 | -0.017 | 83.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 390 | MET | 0 | -0.028 | -0.011 | 88.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 391 | THR | 0 | -0.023 | -0.010 | 91.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 392 | ARG | 1 | 0.942 | 0.977 | 89.461 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 393 | TYR | 0 | -0.046 | -0.044 | 91.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 394 | LEU | 0 | -0.035 | -0.022 | 93.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 395 | GLU | -1 | -0.877 | -0.934 | 95.225 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 396 | GLN | 0 | 0.022 | 0.020 | 93.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 397 | LYS | 1 | 0.827 | 0.905 | 97.376 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 398 | PHE | 0 | -0.059 | -0.032 | 99.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 399 | ASN | 0 | -0.007 | -0.020 | 100.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 400 | SER | 0 | -0.068 | -0.041 | 99.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 401 | ALA | 0 | -0.010 | 0.004 | 101.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 402 | SER | 0 | -0.004 | 0.006 | 98.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 403 | GLN | 0 | 0.015 | -0.006 | 95.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 404 | LEU | 0 | -0.018 | 0.014 | 94.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 405 | PRO | 0 | -0.006 | 0.007 | 89.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 406 | GLN | 0 | -0.026 | -0.013 | 90.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 407 | ILE | 0 | -0.021 | -0.010 | 89.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 408 | LEU | 0 | 0.026 | 0.002 | 85.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 409 | GLY | 0 | 0.033 | 0.016 | 86.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 410 | LEU | 0 | -0.004 | -0.012 | 81.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 411 | THR | 0 | -0.021 | -0.037 | 83.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 412 | ALA | 0 | -0.002 | 0.008 | 81.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 413 | SER | 0 | -0.009 | -0.035 | 83.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 414 | VAL | 0 | 0.054 | 0.022 | 86.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 415 | GLY | 0 | 0.013 | 0.019 | 89.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 416 | VAL | 0 | -0.004 | -0.017 | 89.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 417 | GLY | 0 | 0.046 | 0.032 | 91.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 418 | ASN | 0 | -0.038 | -0.031 | 92.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 419 | ALA | 0 | -0.038 | 0.008 | 94.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 420 | LYS | 1 | 0.951 | 0.969 | 96.244 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 421 | ASN | 0 | -0.039 | -0.029 | 98.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 422 | ILE | 0 | 0.091 | 0.034 | 99.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 423 | GLU | -1 | -0.785 | -0.880 | 100.661 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 424 | GLU | -1 | -0.788 | -0.881 | 100.063 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 425 | THR | 0 | 0.022 | -0.005 | 95.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 426 | ILE | 0 | -0.027 | -0.010 | 97.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 427 | GLU | -1 | -0.780 | -0.865 | 99.357 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 428 | HIS | 0 | -0.031 | -0.017 | 91.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 429 | ILE | 0 | -0.002 | -0.005 | 93.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 430 | CYS | 0 | -0.020 | -0.013 | 95.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 431 | SER | 0 | 0.025 | 0.023 | 96.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 432 | LEU | 0 | 0.001 | 0.020 | 89.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 433 | CYS | 0 | -0.062 | -0.043 | 93.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 434 | SER | 0 | -0.072 | -0.036 | 95.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 435 | TYR | 0 | -0.006 | -0.034 | 92.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 436 | LEU | 0 | -0.025 | -0.018 | 88.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 437 | ASP | -1 | -0.717 | -0.807 | 92.821 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 438 | ILE | 0 | -0.052 | -0.020 | 91.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 439 | GLN | 0 | 0.008 | -0.006 | 95.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 440 | ALA | 0 | 0.017 | 0.007 | 95.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 441 | ILE | 0 | 0.014 | 0.008 | 92.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 442 | SER | 0 | -0.045 | -0.018 | 90.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 443 | THR | 0 | 0.011 | 0.002 | 90.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 444 | VAL | 0 | -0.019 | -0.002 | 87.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 445 | ARG | 1 | 0.817 | 0.897 | 90.992 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 446 | GLU | -1 | -0.878 | -0.935 | 94.397 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 447 | ASN | 0 | -0.050 | -0.041 | 89.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 448 | ILE | 0 | -0.001 | 0.005 | 89.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 449 | GLN | 0 | 0.056 | 0.028 | 89.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 450 | GLU | -1 | -0.828 | -0.896 | 85.677 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 451 | LEU | 0 | -0.012 | -0.015 | 84.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 452 | GLN | 0 | 0.003 | -0.020 | 83.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 453 | ARG | 1 | 0.871 | 0.950 | 83.434 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 454 | PHE | 0 | 0.011 | 0.011 | 76.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 455 | MET | 0 | -0.043 | -0.015 | 78.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 456 | ASN | 0 | 0.030 | 0.026 | 78.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 457 | LYS | 1 | 0.802 | 0.867 | 81.088 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 458 | PRO | 0 | 0.007 | 0.017 | 79.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 459 | GLU | -1 | -0.829 | -0.916 | 82.458 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 460 | ILE | 0 | -0.036 | -0.012 | 80.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 461 | ASP | -1 | -0.751 | -0.856 | 82.619 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 462 | VAL | 0 | -0.021 | -0.007 | 82.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 463 | ARG | 1 | 0.842 | 0.903 | 81.646 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 464 | LEU | 0 | 0.017 | 0.013 | 81.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 465 | VAL | 0 | -0.003 | 0.007 | 79.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 466 | LYS | 1 | 0.873 | 0.928 | 81.354 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 467 | ARG | 1 | 0.991 | 0.999 | 76.350 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 468 | ARG | 1 | 0.915 | 0.949 | 78.229 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 469 | ILE | 0 | -0.039 | -0.032 | 78.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 470 | HIS | 0 | 0.018 | 0.006 | 78.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 471 | ASN | 0 | -0.004 | -0.021 | 71.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 472 | PRO | 0 | 0.036 | 0.012 | 73.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 473 | PHE | 0 | 0.061 | 0.038 | 64.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 474 | ALA | 0 | 0.036 | 0.012 | 68.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 475 | ALA | 0 | -0.026 | 0.004 | 68.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 476 | ILE | 0 | 0.032 | 0.012 | 65.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 477 | ILE | 0 | 0.007 | 0.005 | 62.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 478 | SER | 0 | 0.013 | -0.010 | 63.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 479 | ASN | 0 | -0.085 | -0.027 | 65.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 480 | LEU | 0 | 0.054 | 0.029 | 61.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 481 | MET | 0 | -0.056 | -0.001 | 60.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 482 | SER | 0 | -0.004 | -0.012 | 60.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 483 | GLU | -1 | -0.851 | -0.928 | 60.948 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 484 | THR | 0 | -0.007 | -0.012 | 55.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 485 | GLU | -1 | -0.757 | -0.844 | 56.754 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 486 | ALA | 0 | -0.031 | -0.001 | 58.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 487 | LEU | 0 | 0.012 | 0.014 | 53.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 488 | MET | 0 | 0.017 | -0.004 | 52.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 489 | ARG | 1 | 0.740 | 0.843 | 53.600 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 490 | THR | 0 | -0.054 | -0.012 | 54.112 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 491 | ILE | 0 | -0.072 | -0.038 | 48.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 504 | ASP | -1 | -0.844 | -0.908 | 65.786 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 505 | PHE | 0 | -0.007 | 0.002 | 62.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 506 | GLY | 0 | 0.045 | 0.019 | 64.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 507 | THR | 0 | -0.070 | -0.047 | 65.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 508 | GLN | 0 | -0.005 | -0.023 | 62.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 509 | ASN | 0 | -0.041 | -0.044 | 62.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 510 | TYR | 0 | 0.004 | -0.025 | 59.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 511 | GLU | -1 | -0.736 | -0.824 | 55.676 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 512 | HIS | 0 | 0.004 | 0.002 | 57.029 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 513 | TRP | 0 | -0.009 | -0.001 | 57.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 514 | ILE | 0 | 0.013 | 0.027 | 53.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 515 | VAL | 0 | 0.025 | 0.013 | 52.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 516 | VAL | 0 | -0.030 | -0.019 | 52.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 517 | THR | 0 | -0.047 | -0.037 | 52.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 518 | GLN | 0 | 0.003 | -0.005 | 49.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 519 | ARG | 1 | 0.845 | 0.893 | 47.432 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 520 | LYS | 1 | 0.903 | 0.960 | 47.713 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 521 | CYS | 0 | -0.022 | -0.009 | 46.773 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 522 | ARG | 1 | 0.759 | 0.854 | 42.887 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | D | 523 | LEU | 0 | -0.086 | -0.023 | 42.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | D | 524 | LEU | 0 | -0.010 | -0.017 | 43.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | D | 525 | GLN | 0 | 0.019 | 0.012 | 37.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | D | 526 | LEU | 0 | -0.033 | -0.009 | 40.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | D | 527 | GLU | -1 | -0.931 | -0.974 | 40.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | D | 528 | ASP | -1 | -0.870 | -0.914 | 38.616 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | D | 529 | LYS | 1 | 0.878 | 0.914 | 34.927 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | D | 530 | GLU | -1 | -0.873 | -0.905 | 34.826 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | D | 531 | GLU | -1 | -0.800 | -0.900 | 37.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | D | 532 | GLU | -1 | -0.742 | -0.847 | 40.335 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | D | 533 | SER | 0 | 0.005 | -0.003 | 38.199 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | D | 534 | ARG | 1 | 0.738 | 0.856 | 37.753 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | D | 535 | ILE | 0 | 0.036 | 0.017 | 41.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | D | 536 | CYS | 0 | -0.033 | -0.021 | 42.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | D | 537 | ARG | 1 | 0.816 | 0.898 | 39.285 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | D | 538 | ALA | 0 | 0.004 | 0.011 | 43.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | D | 539 | LEU | 0 | 0.017 | 0.004 | 46.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | D | 540 | PHE | 0 | 0.028 | 0.003 | 44.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | D | 541 | ILE | 0 | 0.015 | 0.015 | 44.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | D | 542 | CYS | 0 | -0.040 | -0.010 | 48.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | D | 543 | THR | 0 | -0.035 | -0.032 | 50.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | D | 544 | GLU | -1 | -0.707 | -0.817 | 48.761 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | D | 545 | HIS | 0 | 0.020 | 0.011 | 50.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | D | 546 | LEU | 0 | -0.033 | -0.011 | 54.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | D | 547 | ARG | 1 | 0.756 | 0.832 | 51.395 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | D | 548 | LYS | 1 | 0.817 | 0.900 | 53.310 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | D | 549 | TYR | 0 | 0.045 | 0.015 | 56.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | D | 550 | ASN | 0 | 0.024 | 0.005 | 59.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | D | 551 | ASP | -1 | -0.808 | -0.904 | 57.501 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | D | 552 | ALA | 0 | -0.003 | -0.004 | 60.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | D | 553 | LEU | 0 | -0.012 | 0.006 | 62.631 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | D | 554 | ILE | 0 | -0.033 | -0.011 | 62.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | D | 555 | ILE | 0 | -0.026 | -0.019 | 61.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | D | 556 | SER | 0 | -0.046 | -0.033 | 65.986 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | D | 557 | GLU | -1 | -0.802 | -0.875 | 68.541 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | D | 558 | ASP | -1 | -0.817 | -0.880 | 69.117 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | D | 559 | ALA | 0 | 0.023 | 0.025 | 68.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | D | 560 | ARG | 1 | 0.787 | 0.850 | 67.990 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | D | 561 | ILE | 0 | 0.059 | 0.016 | 68.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | D | 562 | ILE | 0 | 0.051 | 0.031 | 66.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | D | 563 | ASP | -1 | -0.795 | -0.884 | 64.883 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | D | 564 | ALA | 0 | 0.005 | 0.008 | 63.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | D | 565 | LEU | 0 | 0.028 | 0.014 | 62.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | D | 566 | SER | 0 | -0.032 | -0.003 | 60.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | D | 567 | TYR | 0 | -0.069 | -0.049 | 56.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | D | 568 | LEU | 0 | 0.011 | 0.010 | 57.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | D | 569 | THR | 0 | -0.013 | -0.021 | 57.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | D | 570 | GLU | -1 | -0.960 | -0.959 | 54.285 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | D | 571 | PHE | 0 | 0.010 | 0.008 | 50.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | D | 572 | PHE | 0 | 0.026 | -0.007 | 52.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | D | 573 | THR | 0 | -0.045 | -0.030 | 52.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | D | 574 | ASN | 0 | 0.006 | -0.001 | 49.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | D | 575 | VAL | 0 | 0.014 | 0.005 | 47.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | D | 576 | LYS | 1 | 0.821 | 0.906 | 47.518 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | D | 577 | ASN | 0 | -0.083 | -0.029 | 45.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | D | 578 | GLY | 0 | 0.029 | 0.028 | 43.374 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | D | 579 | PRO | 0 | -0.030 | -0.023 | 40.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | D | 580 | TYR | 0 | -0.006 | 0.018 | 42.149 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | D | 581 | THR | 0 | 0.024 | -0.017 | 42.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | D | 582 | GLU | -1 | -0.906 | -0.948 | 44.663 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | D | 583 | LEU | 0 | -0.008 | -0.001 | 47.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | D | 584 | GLU | -1 | -0.810 | -0.896 | 45.197 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | D | 585 | GLN | 0 | -0.042 | -0.005 | 45.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | D | 586 | HIS | 0 | 0.015 | 0.011 | 50.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | D | 587 | LEU | 0 | -0.022 | -0.017 | 51.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | D | 588 | THR | 0 | -0.005 | -0.021 | 51.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | D | 589 | ALA | 0 | -0.026 | -0.013 | 54.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | D | 590 | LYS | 1 | 0.813 | 0.911 | 56.384 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | D | 591 | PHE | 0 | 0.017 | 0.016 | 57.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | D | 592 | GLN | 0 | -0.020 | -0.039 | 56.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | D | 593 | GLU | -1 | -0.861 | -0.903 | 60.086 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | D | 594 | LYS | 1 | 0.853 | 0.907 | 62.604 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | D | 595 | GLU | -1 | -0.873 | -0.908 | 59.802 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | D | 596 | PRO | 0 | 0.010 | -0.001 | 63.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | D | 597 | GLU | -1 | -0.893 | -0.955 | 66.669 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | D | 598 | LEU | 0 | -0.009 | -0.002 | 63.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | D | 599 | ILE | 0 | 0.007 | 0.009 | 63.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | D | 600 | ALA | 0 | -0.045 | -0.018 | 67.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | D | 601 | LEU | 0 | 0.001 | -0.010 | 70.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | D | 602 | SER | 0 | -0.076 | -0.046 | 68.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | D | 603 | LYS | 1 | 0.917 | 0.952 | 69.883 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | D | 604 | ASP | -1 | -0.818 | -0.868 | 73.320 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | D | 605 | GLU | -1 | -0.890 | -0.945 | 76.271 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | D | 606 | THR | 0 | -0.058 | -0.041 | 78.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | D | 607 | ASN | 0 | -0.129 | -0.087 | 76.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | D | 608 | GLU | -1 | -0.909 | -0.936 | 75.990 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | D | 609 | ASN | 0 | -0.024 | -0.031 | 72.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | D | 610 | PRO | 0 | -0.031 | -0.016 | 76.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | D | 611 | LYS | 1 | 0.727 | 0.843 | 72.865 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | D | 612 | LEU | 0 | 0.048 | 0.025 | 72.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | D | 613 | GLU | -1 | -0.806 | -0.916 | 75.774 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | D | 614 | GLU | -1 | -0.865 | -0.919 | 79.052 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | D | 615 | LEU | 0 | -0.054 | -0.017 | 73.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | D | 616 | VAL | 0 | 0.005 | -0.001 | 76.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | D | 617 | CYS | 0 | -0.004 | 0.003 | 78.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | D | 618 | ILE | 0 | -0.021 | -0.013 | 79.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | D | 619 | LEU | 0 | -0.035 | -0.022 | 74.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | D | 620 | ASP | -1 | -0.746 | -0.832 | 79.401 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | D | 621 | ASP | -1 | -0.847 | -0.905 | 81.910 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | D | 622 | ALA | 0 | -0.023 | -0.007 | 80.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | D | 623 | TYR | 0 | -0.066 | -0.058 | 75.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | D | 624 | ARG | 1 | 0.832 | 0.896 | 82.229 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | D | 625 | TYR | 0 | -0.100 | -0.077 | 85.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | D | 626 | ASN | 0 | -0.019 | -0.013 | 83.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | D | 627 | PRO | 0 | 0.053 | 0.036 | 82.330 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | D | 628 | GLN | 0 | -0.104 | -0.042 | 79.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | D | 629 | THR | 0 | -0.029 | -0.014 | 77.925 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | D | 630 | ARG | 1 | 0.849 | 0.890 | 72.032 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | D | 631 | THR | 0 | 0.052 | 0.015 | 74.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | D | 632 | LEU | 0 | -0.044 | -0.013 | 67.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | D | 633 | LEU | 0 | 0.014 | 0.009 | 70.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | D | 634 | PHE | 0 | -0.006 | -0.006 | 67.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | D | 635 | ALA | 0 | 0.052 | 0.021 | 66.798 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | D | 636 | LYS | 1 | 0.889 | 0.929 | 66.215 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | D | 637 | THR | 0 | 0.048 | 0.026 | 61.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | D | 638 | ARG | 1 | 0.960 | 0.973 | 53.050 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | D | 639 | ALA | 0 | 0.049 | 0.039 | 59.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | D | 640 | LEU | 0 | 0.011 | 0.009 | 60.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | D | 641 | VAL | 0 | -0.037 | -0.010 | 62.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | D | 642 | SER | 0 | -0.011 | -0.010 | 60.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | D | 643 | ALA | 0 | 0.008 | 0.007 | 62.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | D | 644 | LEU | 0 | 0.008 | -0.009 | 65.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | D | 645 | LYS | 1 | 0.815 | 0.904 | 63.543 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | D | 646 | LYS | 1 | 0.909 | 0.950 | 62.702 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | D | 647 | CYS | 0 | -0.071 | -0.032 | 67.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | D | 648 | MET | 0 | -0.033 | -0.010 | 70.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | D | 649 | GLU | -1 | -0.898 | -0.946 | 66.643 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | D | 650 | GLU | -1 | -0.841 | -0.888 | 68.309 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | D | 651 | ASN | 0 | 0.018 | 0.012 | 72.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | D | 652 | PRO | 0 | 0.016 | -0.006 | 75.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | D | 653 | ILE | 0 | -0.024 | 0.000 | 78.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | D | 654 | LEU | 0 | -0.016 | -0.010 | 76.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | D | 655 | ASN | 0 | 0.014 | 0.013 | 76.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | D | 656 | TYR | 0 | -0.088 | -0.055 | 76.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | D | 657 | ILE | 0 | -0.039 | -0.024 | 72.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | D | 658 | LYS | 1 | 0.990 | 0.998 | 69.191 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | D | 659 | PRO | 0 | 0.004 | 0.020 | 68.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | D | 660 | GLY | 0 | 0.029 | 0.027 | 65.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | D | 661 | VAL | 0 | -0.017 | -0.022 | 60.858 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | D | 662 | LEU | 0 | -0.018 | 0.010 | 58.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | D | 691 | ASP | -1 | -0.840 | -0.890 | 67.927 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | D | 692 | ASN | 0 | -0.027 | -0.039 | 66.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | D | 693 | ARG | 1 | 0.880 | 0.938 | 70.272 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | D | 694 | LEU | 0 | 0.041 | 0.040 | 71.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | D | 695 | LEU | 0 | -0.007 | 0.015 | 66.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | D | 696 | ILE | 0 | 0.018 | 0.011 | 66.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | D | 697 | ALA | 0 | 0.034 | 0.009 | 64.409 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | D | 698 | THR | 0 | -0.038 | -0.035 | 60.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | D | 708 | VAL | 0 | 0.046 | 0.021 | 65.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | D | 709 | GLN | 0 | -0.049 | -0.033 | 67.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | D | 710 | CYS | 0 | -0.076 | -0.002 | 71.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | D | 711 | ASN | 0 | 0.007 | -0.003 | 74.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | D | 712 | LEU | 0 | 0.011 | -0.005 | 76.465 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | D | 713 | VAL | 0 | 0.059 | 0.029 | 73.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | D | 714 | VAL | 0 | 0.007 | -0.003 | 74.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | D | 715 | LEU | 0 | 0.003 | 0.001 | 72.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | D | 716 | TYR | 0 | -0.019 | -0.036 | 71.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | D | 717 | GLU | -1 | -0.749 | -0.837 | 71.565 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | D | 718 | TYR | 0 | 0.006 | 0.006 | 68.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | D | 719 | SER | 0 | -0.006 | -0.002 | 71.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | D | 720 | GLY | 0 | 0.024 | 0.008 | 72.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | D | 721 | ASN | 0 | -0.049 | -0.028 | 73.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | D | 722 | VAL | 0 | 0.061 | 0.019 | 75.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | D | 723 | THR | 0 | 0.020 | 0.008 | 75.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | D | 724 | LYS | 1 | 0.951 | 0.966 | 72.162 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | D | 725 | MET | 0 | -0.018 | 0.023 | 67.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | D | 726 | ILE | 0 | -0.011 | -0.023 | 71.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | D | 727 | GLN | 0 | -0.066 | -0.022 | 72.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | D | 728 | VAL | 0 | 0.003 | 0.019 | 66.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | D | 736 | GLY | 0 | 0.081 | 0.046 | 79.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | D | 737 | SER | 0 | -0.095 | -0.076 | 80.188 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | D | 738 | LYS | 1 | 0.866 | 0.935 | 80.499 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | D | 739 | CYS | 0 | -0.054 | -0.017 | 77.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | D | 740 | ILE | 0 | 0.010 | 0.020 | 78.316 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | D | 741 | LEU | 0 | -0.028 | -0.013 | 75.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | D | 742 | VAL | 0 | 0.023 | 0.019 | 76.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | D | 743 | THR | 0 | -0.032 | -0.021 | 76.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | D | 744 | SER | 0 | -0.027 | -0.048 | 75.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | D | 745 | LYS | 1 | 0.827 | 0.913 | 75.662 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | D | 746 | THR | 0 | 0.077 | 0.034 | 80.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | D | 747 | GLU | -1 | -0.866 | -0.926 | 79.473 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | D | 748 | VAL | 0 | 0.024 | -0.005 | 79.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | D | 749 | VAL | 0 | 0.010 | -0.001 | 82.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | D | 750 | GLU | -1 | -0.794 | -0.881 | 85.684 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | D | 751 | ASN | 0 | -0.042 | -0.002 | 83.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | D | 752 | GLU | -1 | -0.810 | -0.895 | 83.360 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | D | 753 | LYS | 1 | 0.917 | 0.954 | 85.335 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | D | 754 | CYS | 0 | -0.032 | -0.008 | 88.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | D | 755 | ASN | 0 | 0.009 | -0.009 | 84.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | D | 756 | ARG | 1 | 0.818 | 0.878 | 85.129 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | D | 757 | TYR | 0 | -0.030 | -0.010 | 89.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | D | 758 | LYS | 1 | 0.907 | 0.946 | 88.492 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | D | 759 | GLU | -1 | -0.802 | -0.878 | 87.054 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | D | 760 | GLU | -1 | -0.820 | -0.888 | 90.401 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | D | 761 | MET | 0 | 0.003 | 0.013 | 93.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | D | 762 | MET | 0 | -0.027 | 0.004 | 89.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | D | 763 | ASN | 0 | -0.067 | -0.041 | 90.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | D | 764 | LYS | 1 | 0.860 | 0.917 | 94.219 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | D | 765 | ALA | 0 | -0.013 | -0.005 | 96.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | D | 766 | VAL | 0 | 0.009 | 0.000 | 93.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | D | 767 | GLU | -1 | -0.881 | -0.928 | 96.577 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | D | 768 | LYS | 1 | 0.800 | 0.871 | 98.448 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | D | 769 | ILE | 0 | 0.024 | 0.016 | 98.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | D | 770 | GLN | 0 | -0.074 | -0.064 | 94.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | D | 771 | LYS | 1 | 0.833 | 0.908 | 100.079 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | D | 772 | TRP | 0 | -0.022 | -0.003 | 103.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | D | 773 | ASP | -1 | -0.791 | -0.859 | 104.537 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | D | 774 | GLU | -1 | -0.782 | -0.899 | 101.442 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | D | 775 | GLU | -1 | -0.820 | -0.893 | 104.653 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | D | 776 | THR | 0 | -0.073 | -0.062 | 106.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | D | 777 | PHE | 0 | -0.026 | -0.018 | 97.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | D | 778 | ALA | 0 | 0.008 | 0.007 | 102.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | D | 779 | LYS | 1 | 0.837 | 0.911 | 103.961 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | D | 780 | LYS | 1 | 0.804 | 0.888 | 103.541 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | D | 781 | ILE | 0 | 0.028 | 0.014 | 99.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | D | 782 | HIS | 0 | 0.008 | 0.009 | 101.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | D | 783 | ASN | 0 | 0.000 | -0.017 | 104.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | D | 784 | LEU | 0 | -0.039 | -0.009 | 100.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | D | 785 | GLN | 0 | -0.011 | -0.020 | 98.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | D | 786 | MET | 0 | -0.044 | -0.014 | 101.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | D | 787 | LYS | 1 | 0.854 | 0.910 | 101.148 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | D | 788 | GLU | -1 | -0.787 | -0.856 | 98.195 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | D | 789 | ARG | 1 | 0.863 | 0.939 | 101.438 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | D | 790 | VAL | 0 | -0.055 | -0.015 | 102.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | D | 791 | LEU | 0 | -0.079 | -0.040 | 100.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |