FMODB ID: N1KQQ
Calculation Name: 3K8P-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3K8P
Chain ID: D
UniProt ID: Q12745
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 | OptH |
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 | 597 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10910355.84324 |
---|---|
FMO2-HF: Nuclear repulsion | 10665291.774458 |
FMO2-HF: Total energy | -245064.068783 |
FMO2-MP2: Total energy | -245780.94949 |
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:30:GLY)
Summations of interaction energy for
fragment #1(D:30:GLY)
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. |
10.573 | 1.245 | 12.658 | -0.109 | -3.222 | -0.029 |
Interaction energy analysis for fragmet #1(D:30:GLY)
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 | 32 | GLN | 0 | 0.095 | 0.046 | 2.067 | 11.180 | 1.234 | 12.481 | 0.204 | -2.740 | -0.028 |
4 | D | 33 | SER | 0 | 0.049 | 0.026 | 4.769 | 0.141 | 0.179 | -0.001 | -0.012 | -0.025 | 0.000 |
5 | D | 34 | LYS | 1 | 0.901 | 0.933 | 2.763 | -1.540 | -0.980 | 0.179 | -0.281 | -0.458 | -0.001 |
6 | D | 35 | TYR | 0 | 0.010 | 0.017 | 4.207 | -0.034 | -0.014 | -0.001 | -0.020 | 0.001 | 0.000 |
7 | D | 36 | LEU | 0 | 0.055 | 0.021 | 5.751 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 37 | GLU | -1 | -0.794 | -0.915 | 8.019 | 0.783 | 0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 38 | ILE | 0 | -0.044 | -0.021 | 7.322 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 39 | LEU | 0 | -0.011 | 0.003 | 10.131 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 40 | CYS | 0 | -0.069 | -0.006 | 12.086 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 41 | VAL | 0 | -0.021 | -0.002 | 13.498 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 42 | LEU | 0 | -0.035 | -0.033 | 12.602 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 43 | TRP | 0 | -0.071 | -0.026 | 15.364 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 44 | PRO | 0 | 0.056 | 0.016 | 17.444 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 45 | GLU | -1 | -0.894 | -0.953 | 21.184 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 46 | LEU | 0 | -0.024 | -0.022 | 22.661 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 47 | ASP | -1 | -0.885 | -0.910 | 21.968 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 48 | ASP | -1 | -0.877 | -0.928 | 24.215 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 49 | PRO | 0 | 0.032 | 0.007 | 22.462 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 50 | LYS | 1 | 0.959 | 0.967 | 21.871 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 51 | ASN | 0 | -0.070 | -0.022 | 21.263 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 52 | LEU | 0 | -0.007 | -0.021 | 16.164 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 53 | LEU | 0 | -0.067 | -0.012 | 17.913 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 54 | PHE | 0 | 0.033 | 0.012 | 13.416 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 55 | LEU | 0 | -0.034 | -0.027 | 11.573 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 56 | ARG | 1 | 0.864 | 0.975 | 14.888 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 57 | GLU | -1 | -0.868 | -0.935 | 17.599 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 58 | LEU | 0 | -0.089 | -0.037 | 11.218 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 59 | GLU | -1 | -0.931 | -0.975 | 13.980 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 60 | GLU | -1 | -0.906 | -0.977 | 15.954 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 61 | GLU | -1 | -0.950 | -0.973 | 18.535 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 62 | VAL | 0 | -0.079 | -0.013 | 16.213 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 101 | TYR | 0 | 0.014 | -0.010 | 14.919 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 102 | HIS | 0 | 0.024 | 0.002 | 8.088 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 103 | GLU | -1 | -0.933 | -0.959 | 11.444 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 104 | LEU | 0 | -0.011 | -0.002 | 12.430 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 105 | GLN | 0 | 0.018 | -0.017 | 9.252 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 106 | GLU | -1 | -0.854 | -0.930 | 11.645 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 107 | PHE | 0 | -0.043 | -0.009 | 14.827 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 108 | ILE | 0 | 0.002 | 0.016 | 9.370 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 109 | SER | 0 | 0.025 | 0.008 | 12.449 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 110 | LYS | 1 | 0.957 | 0.988 | 14.018 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 111 | LYS | 1 | 0.876 | 0.940 | 16.568 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 112 | LEU | 0 | 0.027 | 0.015 | 11.751 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 113 | ASN | 0 | -0.024 | -0.007 | 15.936 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 114 | ASN | 0 | -0.101 | -0.070 | 14.499 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 115 | LYS | 1 | 0.876 | 0.955 | 14.484 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 116 | THR | 0 | -0.042 | 0.004 | 9.445 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 117 | LEU | 0 | 0.012 | 0.017 | 9.683 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 118 | GLU | -1 | -0.922 | -0.978 | 9.521 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 119 | ASN | 0 | 0.011 | 0.020 | 10.777 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 120 | PHE | 0 | 0.076 | 0.040 | 12.540 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 121 | GLU | -1 | -0.744 | -0.834 | 14.876 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 122 | GLU | -1 | -0.939 | -0.982 | 13.925 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 123 | TRP | 0 | 0.009 | -0.040 | 12.232 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 124 | LEU | 0 | -0.003 | -0.001 | 14.676 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 125 | ARG | 1 | 0.953 | 0.978 | 18.284 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 126 | GLU | -1 | -0.890 | -0.957 | 15.709 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 127 | ARG | 1 | 0.824 | 0.887 | 16.983 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 128 | ILE | 0 | -0.015 | -0.004 | 18.565 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 129 | LEU | 0 | -0.042 | -0.022 | 21.150 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 130 | ILE | 0 | -0.003 | -0.007 | 16.993 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 131 | CYS | 0 | -0.013 | 0.007 | 20.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 132 | ASN | 0 | 0.012 | 0.022 | 23.407 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 133 | GLU | -1 | -0.929 | -0.978 | 22.971 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 134 | MET | 0 | -0.050 | -0.024 | 24.868 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 135 | ILE | 0 | -0.035 | -0.004 | 27.088 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 136 | PRO | 0 | 0.000 | 0.001 | 29.333 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 137 | GLU | -1 | -0.909 | -0.950 | 31.154 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 138 | THR | 0 | -0.070 | -0.041 | 30.163 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 139 | PRO | 0 | 0.028 | 0.014 | 28.955 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 140 | LEU | 0 | 0.015 | -0.001 | 28.263 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 141 | LEU | 0 | -0.004 | 0.019 | 25.164 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 142 | TYR | 0 | 0.045 | 0.008 | 20.384 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 143 | SER | 0 | 0.034 | 0.001 | 24.878 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 144 | VAL | 0 | -0.008 | -0.001 | 24.846 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 145 | LEU | 0 | -0.007 | -0.013 | 19.120 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 146 | TRP | 0 | 0.038 | 0.022 | 22.806 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 147 | GLU | -1 | -0.964 | -0.968 | 24.711 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 148 | THR | 0 | -0.099 | -0.049 | 26.793 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 149 | ALA | 0 | -0.004 | -0.002 | 23.375 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 150 | LYS | 1 | 0.916 | 0.952 | 23.437 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 151 | SER | 0 | -0.030 | -0.041 | 23.867 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 152 | LYS | 1 | 0.916 | 0.953 | 23.575 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 153 | VAL | 0 | 0.060 | 0.061 | 19.218 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 154 | LEU | 0 | -0.015 | 0.008 | 19.630 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 155 | SER | 0 | -0.089 | -0.090 | 22.149 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 156 | THR | 0 | 0.000 | -0.027 | 24.034 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 157 | LYS | 1 | 0.948 | 0.972 | 24.169 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 158 | PHE | 0 | 0.049 | 0.037 | 21.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 159 | ILE | 0 | 0.042 | 0.011 | 24.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 160 | GLY | 0 | 0.000 | 0.007 | 27.852 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 161 | TRP | 0 | 0.004 | -0.008 | 23.821 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 162 | VAL | 0 | -0.005 | 0.006 | 26.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 163 | GLU | -1 | -0.855 | -0.952 | 29.358 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 164 | GLY | 0 | -0.051 | -0.021 | 31.588 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 165 | VAL | 0 | -0.046 | -0.030 | 29.484 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 166 | LEU | 0 | -0.018 | 0.001 | 26.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 167 | LYS | 1 | 0.877 | 0.945 | 30.911 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 168 | PRO | 0 | 0.026 | 0.027 | 34.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 169 | LEU | 0 | -0.030 | 0.001 | 31.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 170 | ASP | -1 | -0.887 | -0.963 | 33.770 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 171 | HIS | 1 | 0.858 | 0.923 | 35.444 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 172 | LEU | 0 | 0.017 | 0.020 | 38.439 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 173 | ASN | 0 | 0.023 | 0.005 | 34.603 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 174 | LYS | 1 | 0.856 | 0.921 | 35.487 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 175 | ARG | 1 | 0.807 | 0.914 | 40.496 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 176 | LEU | 0 | -0.070 | -0.049 | 42.640 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 177 | HIS | 0 | -0.043 | -0.010 | 42.200 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 178 | LEU | 0 | -0.029 | -0.005 | 39.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 179 | ILE | 0 | -0.034 | -0.034 | 35.116 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 180 | PHE | 0 | 0.018 | 0.016 | 34.808 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 181 | LYS | 1 | 0.950 | 0.975 | 29.543 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 182 | ILE | 0 | 0.015 | -0.011 | 26.711 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 183 | ASN | 0 | -0.045 | -0.027 | 24.198 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 184 | GLU | -1 | -0.904 | -0.957 | 28.385 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 185 | TRP | 0 | 0.027 | 0.012 | 31.881 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 186 | GLU | -1 | -0.888 | -0.946 | 27.323 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 187 | LYS | 1 | 0.863 | 0.925 | 27.262 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 188 | MET | 0 | 0.007 | 0.038 | 32.093 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 189 | PRO | 0 | -0.039 | -0.012 | 35.730 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 190 | ASP | -1 | -0.822 | -0.930 | 38.336 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 191 | SER | 0 | -0.049 | -0.042 | 39.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 192 | GLU | -1 | -0.951 | -1.006 | 40.258 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 193 | LEU | 0 | 0.031 | 0.014 | 36.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 194 | PHE | 0 | 0.006 | -0.025 | 40.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 195 | LYS | 1 | 0.909 | 0.959 | 43.402 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 196 | ILE | 0 | 0.005 | 0.031 | 40.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 197 | ILE | 0 | -0.068 | -0.024 | 40.201 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 198 | PHE | 0 | -0.094 | -0.058 | 44.135 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 199 | ASP | -1 | -0.955 | -0.958 | 47.903 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 211 | ALA | 0 | -0.022 | -0.039 | 49.541 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 212 | ASP | -1 | -0.798 | -0.880 | 45.335 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 213 | VAL | 0 | 0.014 | 0.007 | 44.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 214 | ILE | 0 | -0.041 | -0.024 | 44.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 215 | GLU | -1 | -0.976 | -0.997 | 44.030 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 216 | ASP | -1 | -0.894 | -0.966 | 39.996 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 217 | GLU | -1 | -0.726 | -0.835 | 39.459 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 218 | LEU | 0 | -0.036 | -0.011 | 39.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 219 | ALA | 0 | 0.023 | 0.016 | 40.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 220 | PRO | 0 | -0.013 | 0.017 | 36.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 221 | THR | 0 | 0.044 | 0.019 | 36.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 222 | LEU | 0 | -0.077 | -0.033 | 36.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 223 | SER | 0 | 0.004 | -0.021 | 37.361 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 224 | TYR | 0 | -0.023 | 0.011 | 28.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 225 | GLY | 0 | -0.069 | -0.039 | 33.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 226 | LYS | 1 | 0.923 | 0.960 | 33.924 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 227 | LYS | 1 | 0.944 | 0.981 | 34.937 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 228 | TRP | 0 | 0.078 | 0.036 | 39.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 229 | GLU | -1 | -0.886 | -0.951 | 43.165 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 230 | THR | 0 | -0.008 | 0.004 | 41.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 231 | PHE | 0 | 0.032 | 0.016 | 43.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 232 | ILE | 0 | -0.005 | -0.007 | 45.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 233 | THR | 0 | -0.020 | -0.007 | 47.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 234 | GLU | -1 | -0.884 | -0.926 | 45.757 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 235 | PHE | 0 | -0.033 | -0.031 | 46.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 236 | PHE | 0 | -0.014 | 0.005 | 49.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 237 | ASN | 0 | 0.017 | 0.018 | 52.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 238 | LYS | 1 | 0.990 | 0.983 | 54.920 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 239 | GLN | 0 | -0.066 | -0.036 | 54.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 240 | GLN | 0 | -0.022 | 0.000 | 52.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 241 | PHE | 0 | -0.018 | -0.005 | 52.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 242 | SER | 0 | 0.034 | 0.014 | 58.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 243 | LEU | 0 | 0.039 | 0.011 | 60.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 244 | LYS | 1 | 0.974 | 0.994 | 62.815 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 245 | SER | 0 | 0.005 | 0.003 | 61.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 246 | ASP | -1 | -0.757 | -0.876 | 63.182 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 247 | THR | 0 | -0.006 | -0.011 | 59.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 248 | ASN | 0 | -0.001 | 0.010 | 57.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 249 | TYR | 0 | 0.044 | -0.009 | 58.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 250 | GLN | 0 | 0.012 | -0.014 | 59.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 251 | LEU | 0 | -0.044 | -0.018 | 52.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 252 | PHE | 0 | 0.016 | 0.006 | 54.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 253 | ILE | 0 | 0.029 | 0.015 | 55.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 254 | LYS | 1 | 0.908 | 0.962 | 52.778 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 255 | LEU | 0 | 0.016 | 0.001 | 48.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 256 | TYR | 0 | 0.052 | 0.039 | 50.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 257 | TYR | 0 | 0.034 | 0.011 | 51.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 258 | SER | 0 | -0.117 | -0.059 | 47.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 259 | LEU | 0 | 0.012 | -0.001 | 46.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 260 | GLU | -1 | -0.917 | -0.963 | 47.818 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 261 | LYS | 1 | 0.897 | 0.953 | 45.816 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 262 | GLY | 0 | -0.068 | -0.026 | 44.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 263 | VAL | 0 | -0.001 | 0.013 | 43.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 264 | LYS | 1 | 0.936 | 0.964 | 45.241 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 265 | ASP | -1 | -0.888 | -0.941 | 42.404 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 266 | ASN | 0 | -0.102 | -0.036 | 45.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 267 | SER | 0 | 0.012 | -0.008 | 45.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 268 | GLU | -1 | -0.969 | -1.015 | 46.200 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 269 | ALA | 0 | 0.083 | 0.072 | 45.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 270 | SER | 0 | -0.008 | -0.010 | 47.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 271 | ARG | 1 | 1.018 | 0.992 | 50.057 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 272 | LYS | 1 | 0.935 | 0.985 | 49.362 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 273 | LEU | 0 | -0.014 | 0.005 | 50.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 274 | GLN | 0 | 0.014 | -0.008 | 52.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 275 | SER | 0 | -0.028 | -0.026 | 54.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 276 | ASN | 0 | 0.037 | -0.014 | 52.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 277 | VAL | 0 | -0.026 | 0.009 | 55.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 278 | VAL | 0 | 0.025 | 0.003 | 57.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 279 | ASP | -1 | -0.826 | -0.923 | 58.152 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 280 | ILE | 0 | -0.047 | -0.023 | 55.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 281 | LEU | 0 | -0.016 | -0.013 | 60.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 282 | PHE | 0 | -0.005 | 0.008 | 63.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 283 | HIS | 0 | -0.064 | -0.036 | 61.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 284 | ASN | 0 | -0.057 | -0.024 | 61.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 285 | SER | 0 | 0.031 | 0.025 | 65.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 286 | GLU | -1 | -0.872 | -0.936 | 67.857 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 287 | ASN | 0 | -0.087 | -0.045 | 64.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 288 | LEU | 0 | 0.003 | 0.004 | 65.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 289 | PHE | 0 | 0.008 | -0.014 | 67.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 290 | ASN | 0 | -0.064 | -0.026 | 70.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 291 | LEU | 0 | -0.094 | -0.015 | 64.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 292 | SER | 0 | -0.006 | -0.018 | 68.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 293 | SER | 0 | -0.023 | -0.019 | 69.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 294 | LEU | 0 | 0.039 | 0.047 | 69.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 295 | THR | 0 | 0.046 | 0.016 | 70.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 296 | HIS | 0 | 0.066 | 0.033 | 65.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 297 | LYS | 1 | 0.832 | 0.897 | 64.798 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 298 | LEU | 0 | -0.016 | -0.002 | 66.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 299 | ASP | -1 | -0.867 | -0.929 | 67.563 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 300 | GLU | -1 | -0.943 | -0.948 | 61.500 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 301 | LEU | 0 | 0.002 | -0.024 | 61.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 302 | TRP | 0 | 0.023 | 0.020 | 63.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 303 | SER | 0 | 0.005 | -0.010 | 62.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 304 | ILE | 0 | -0.058 | -0.008 | 57.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 305 | LEU | 0 | 0.007 | -0.010 | 60.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 306 | SER | 0 | -0.104 | -0.028 | 62.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 307 | GLY | 0 | 0.002 | -0.003 | 59.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 308 | PHE | 0 | -0.100 | -0.055 | 57.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 309 | PRO | 0 | -0.034 | -0.027 | 56.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 310 | ASP | -1 | -0.890 | -0.941 | 59.594 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 311 | GLU | -1 | -0.979 | -0.986 | 60.697 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 312 | ILE | 0 | -0.024 | -0.005 | 57.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 313 | THR | 0 | 0.009 | 0.006 | 58.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 314 | ILE | 0 | -0.036 | 0.003 | 58.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 315 | GLU | -1 | -0.983 | -1.008 | 59.070 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 316 | GLU | -1 | -0.912 | -0.954 | 59.776 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 317 | GLN | 0 | -0.016 | -0.025 | 61.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 318 | LYS | 1 | 0.884 | 0.981 | 63.075 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 319 | THR | 0 | 0.006 | -0.002 | 62.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 320 | ILE | 0 | -0.028 | 0.004 | 63.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 321 | THR | 0 | 0.016 | 0.004 | 64.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 322 | ALA | 0 | 0.056 | 0.014 | 64.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 323 | LEU | 0 | -0.032 | -0.022 | 66.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 324 | GLU | -1 | -0.850 | -0.928 | 68.946 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 325 | MET | 0 | 0.025 | 0.025 | 63.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 326 | LYS | 1 | 0.929 | 0.964 | 68.064 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 327 | GLN | 0 | 0.048 | 0.022 | 69.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 328 | PHE | 0 | -0.004 | 0.003 | 69.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 329 | MET | 0 | -0.001 | -0.006 | 66.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 330 | GLU | -1 | -0.929 | -0.957 | 70.836 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 331 | PHE | 0 | 0.005 | -0.010 | 73.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 332 | PHE | 0 | -0.019 | -0.014 | 69.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 333 | ILE | 0 | -0.052 | -0.020 | 70.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 334 | LYS | 1 | 0.811 | 0.904 | 74.470 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 335 | CYS | 0 | -0.081 | -0.020 | 77.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 336 | SER | 0 | 0.032 | 0.013 | 78.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 337 | THR | 0 | -0.026 | -0.009 | 74.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 338 | LYS | 1 | 0.812 | 0.912 | 76.558 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 339 | PHE | 0 | -0.020 | -0.005 | 76.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 340 | SER | 0 | 0.035 | 0.006 | 71.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 341 | PHE | 0 | 0.047 | -0.008 | 65.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 342 | LYS | 1 | 0.899 | 0.966 | 66.267 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 343 | GLU | -1 | -0.862 | -0.937 | 70.232 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 344 | ILE | 0 | -0.008 | 0.007 | 72.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 345 | PHE | 0 | 0.009 | -0.007 | 68.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 346 | ALA | 0 | 0.004 | -0.007 | 71.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 347 | ILE | 0 | -0.004 | 0.009 | 74.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 348 | THR | 0 | 0.004 | 0.010 | 72.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 349 | GLN | 0 | -0.086 | -0.059 | 70.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 350 | GLU | -1 | -0.836 | -0.898 | 75.669 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 351 | GLU | -1 | -0.942 | -0.984 | 79.018 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 352 | GLU | -1 | -0.877 | -0.954 | 82.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 353 | SER | 0 | -0.033 | 0.000 | 84.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 354 | ALA | 0 | 0.006 | 0.003 | 82.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 355 | GLN | 0 | 0.022 | 0.013 | 79.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 356 | LEU | 0 | 0.057 | 0.032 | 83.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 357 | ALA | 0 | -0.016 | -0.002 | 86.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 358 | HIS | 1 | 0.809 | 0.880 | 80.351 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 359 | PHE | 0 | 0.023 | 0.019 | 83.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 360 | SER | 0 | 0.003 | 0.002 | 85.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 361 | SER | 0 | -0.025 | -0.019 | 85.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 362 | LEU | 0 | -0.032 | -0.003 | 81.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 363 | CYS | 0 | -0.001 | 0.002 | 84.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 364 | HIS | 0 | -0.018 | -0.006 | 87.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 365 | GLU | -1 | -0.861 | -0.926 | 83.266 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 366 | GLU | -1 | -0.867 | -0.952 | 82.828 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 367 | PHE | 0 | -0.031 | -0.023 | 86.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 368 | ASN | 0 | -0.081 | -0.054 | 89.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 369 | LYS | 1 | 0.902 | 0.969 | 82.234 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 370 | ALA | 0 | -0.023 | -0.002 | 87.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 371 | ASN | 0 | -0.035 | -0.020 | 88.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 372 | GLU | -1 | -0.913 | -0.958 | 90.364 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 373 | ILE | 0 | 0.055 | 0.035 | 90.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 374 | SER | 0 | 0.006 | -0.003 | 90.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 375 | SER | 0 | -0.058 | -0.023 | 86.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 376 | PHE | 0 | 0.090 | 0.023 | 83.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 377 | LEU | 0 | -0.010 | -0.004 | 86.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 378 | GLN | 0 | -0.001 | -0.002 | 85.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 379 | ALA | 0 | 0.030 | 0.014 | 82.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 380 | MET | 0 | 0.003 | 0.003 | 82.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 381 | TYR | 0 | -0.067 | -0.037 | 83.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 382 | GLU | -1 | -0.898 | -0.935 | 80.204 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 383 | THR | 0 | -0.044 | -0.022 | 78.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 384 | VAL | 0 | 0.026 | 0.007 | 79.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 385 | LEU | 0 | -0.041 | -0.031 | 81.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 386 | ASP | -1 | -0.808 | -0.872 | 81.337 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 387 | ILE | 0 | -0.015 | -0.023 | 83.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 388 | SER | 0 | -0.130 | -0.076 | 81.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 389 | LYS | 1 | 0.879 | 0.951 | 77.017 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 390 | ASP | -1 | -0.870 | -0.910 | 77.788 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 391 | ASP | -1 | -0.737 | -0.886 | 78.354 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 392 | LYS | 1 | 0.832 | 0.891 | 73.095 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 393 | ILE | 0 | -0.014 | 0.003 | 74.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 394 | PHE | 0 | -0.018 | -0.028 | 76.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 395 | THR | 0 | -0.029 | -0.001 | 76.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 396 | ARG | 1 | 0.878 | 0.938 | 77.075 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 397 | ILE | 0 | 0.017 | 0.032 | 82.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 398 | SER | 0 | -0.025 | -0.007 | 85.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 399 | MET | 0 | 0.014 | -0.014 | 86.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 400 | ASP | -1 | -0.818 | -0.877 | 88.508 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 401 | GLU | -1 | -0.877 | -0.940 | 89.114 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 402 | LYS | 1 | 0.821 | 0.926 | 82.747 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 403 | LEU | 0 | 0.037 | 0.004 | 89.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 404 | TYR | 0 | -0.021 | -0.007 | 92.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 405 | SER | 0 | 0.000 | -0.002 | 90.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 406 | ILE | 0 | 0.006 | 0.001 | 88.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 407 | LEU | 0 | -0.013 | -0.005 | 93.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 408 | GLU | -1 | -0.854 | -0.936 | 96.011 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 409 | ILE | 0 | -0.053 | -0.017 | 91.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 410 | LEU | 0 | 0.016 | -0.006 | 94.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 411 | LEU | 0 | -0.029 | -0.005 | 97.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 412 | GLN | 0 | -0.039 | -0.013 | 98.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 413 | MET | 0 | -0.038 | -0.012 | 93.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 414 | ASN | 0 | -0.089 | -0.040 | 98.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 415 | GLU | -1 | -0.863 | -0.927 | 97.019 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 416 | PHE | 0 | -0.016 | -0.033 | 99.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 417 | ALA | 0 | 0.041 | 0.021 | 100.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 418 | TYR | 0 | 0.051 | 0.020 | 94.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 419 | ILE | 0 | 0.003 | 0.013 | 97.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 420 | GLU | -1 | -0.927 | -0.970 | 99.462 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 421 | ALA | 0 | -0.010 | 0.002 | 96.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 422 | ILE | 0 | 0.005 | -0.002 | 93.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 423 | ILE | 0 | -0.020 | -0.019 | 96.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 424 | GLU | -1 | -0.947 | -0.985 | 98.999 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 425 | ARG | 1 | 0.890 | 0.979 | 88.340 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 426 | PHE | 0 | -0.062 | -0.047 | 89.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 427 | ASP | -1 | -0.914 | -0.939 | 94.881 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 428 | TYR | 0 | -0.041 | -0.050 | 93.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 429 | SER | 0 | 0.023 | -0.004 | 99.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 430 | ASN | 0 | -0.038 | -0.041 | 103.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 431 | ASN | 0 | 0.087 | 0.061 | 99.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 432 | THR | 0 | -0.020 | -0.022 | 102.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 433 | GLN | 0 | 0.072 | 0.034 | 97.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 434 | ILE | 0 | 0.042 | 0.016 | 98.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 435 | TYR | 0 | -0.020 | 0.002 | 101.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 436 | GLU | -1 | -0.903 | -0.973 | 104.262 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 437 | LEU | 0 | -0.014 | 0.025 | 99.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 438 | LEU | 0 | 0.037 | -0.001 | 103.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 439 | VAL | 0 | -0.007 | -0.011 | 105.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 440 | LYS | 1 | 0.864 | 0.935 | 100.848 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 441 | PHE | 0 | 0.013 | -0.007 | 100.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 442 | PHE | 0 | 0.004 | 0.010 | 106.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 443 | TRP | 0 | 0.026 | 0.001 | 109.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 444 | HIS | 0 | -0.012 | 0.022 | 105.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 445 | PHE | 0 | 0.021 | -0.008 | 104.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 446 | PHE | 0 | -0.015 | -0.011 | 109.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 447 | ASN | 0 | -0.054 | -0.056 | 111.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 448 | ASN | 0 | -0.068 | -0.034 | 108.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 449 | ALA | 0 | -0.006 | 0.017 | 111.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 450 | SER | 0 | -0.071 | -0.033 | 114.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 451 | ASN | 0 | -0.007 | -0.018 | 116.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 452 | GLY | 0 | 0.054 | 0.004 | 118.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 453 | LEU | 0 | -0.050 | -0.017 | 119.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 454 | ARG | 1 | 0.960 | 0.969 | 117.224 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 455 | LYS | 1 | 0.888 | 0.950 | 116.004 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 456 | GLU | -1 | -0.843 | -0.919 | 114.050 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 457 | PRO | 0 | -0.001 | -0.006 | 109.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 458 | GLU | -1 | -0.788 | -0.892 | 108.721 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 459 | MET | 0 | 0.021 | 0.023 | 111.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 460 | LYS | 1 | 0.880 | 0.944 | 110.711 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 461 | LYS | 1 | 0.893 | 0.962 | 105.965 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 462 | ALA | 0 | 0.022 | 0.037 | 109.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 463 | SER | 0 | -0.017 | -0.018 | 111.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 464 | GLN | 0 | -0.031 | -0.029 | 107.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 465 | THR | 0 | 0.027 | -0.003 | 106.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 466 | LEU | 0 | 0.023 | 0.025 | 108.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 467 | GLN | 0 | -0.035 | -0.018 | 109.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 468 | ILE | 0 | 0.025 | 0.023 | 104.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 469 | ILE | 0 | -0.008 | -0.011 | 107.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 470 | GLN | 0 | -0.071 | -0.034 | 109.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 471 | LYS | 1 | 0.864 | 0.936 | 107.077 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 472 | HIS | 1 | 0.873 | 0.946 | 104.082 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 473 | MET | 0 | -0.016 | 0.011 | 103.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 474 | SER | 0 | 0.042 | 0.024 | 108.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 475 | GLN | 0 | -0.058 | -0.030 | 109.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 476 | ARG | 1 | 0.936 | 0.980 | 107.266 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 477 | ALA | 0 | -0.006 | 0.012 | 110.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 478 | GLY | 0 | 0.034 | 0.016 | 112.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 479 | THR | 0 | -0.028 | -0.036 | 115.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 480 | ASN | 0 | 0.004 | -0.008 | 113.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 481 | LEU | 0 | 0.022 | 0.024 | 113.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 482 | THR | 0 | 0.021 | 0.014 | 116.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 483 | LYS | 1 | 0.919 | 0.964 | 119.073 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 484 | LEU | 0 | 0.007 | 0.029 | 113.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 485 | GLU | -1 | -0.899 | -0.976 | 116.295 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 486 | VAL | 0 | -0.046 | -0.018 | 118.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 487 | LEU | 0 | 0.020 | 0.001 | 117.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 488 | LEU | 0 | -0.015 | -0.009 | 114.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 489 | GLU | -1 | -0.922 | -0.960 | 119.433 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 490 | ILE | 0 | -0.014 | -0.009 | 122.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 491 | SER | 0 | 0.011 | 0.007 | 120.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 492 | ASP | -1 | -0.836 | -0.912 | 121.454 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 493 | LYS | 1 | 0.953 | 0.981 | 122.959 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 494 | LEU | 0 | 0.055 | 0.019 | 125.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 495 | SER | 0 | 0.003 | 0.010 | 123.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 496 | HIS | 1 | 0.719 | 0.849 | 124.597 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 497 | TYR | 0 | -0.019 | 0.003 | 127.958 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 498 | SER | 0 | -0.040 | -0.018 | 128.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 499 | ILE | 0 | 0.022 | 0.022 | 126.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 500 | ASN | 0 | -0.024 | -0.009 | 128.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 501 | LEU | 0 | 0.005 | 0.021 | 128.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 502 | ASN | 0 | -0.054 | -0.031 | 124.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 512 | ALA | 0 | 0.013 | 0.000 | 121.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 513 | PHE | 0 | 0.004 | 0.002 | 122.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 514 | LYS | 1 | 0.958 | 0.988 | 115.213 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 515 | PRO | 0 | 0.043 | 0.023 | 117.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 516 | SER | 0 | 0.014 | 0.002 | 116.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 517 | ASN | 0 | -0.025 | -0.012 | 118.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 518 | ILE | 0 | 0.022 | 0.020 | 121.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 519 | LEU | 0 | -0.044 | -0.030 | 117.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 520 | GLU | -1 | -0.927 | -0.966 | 120.853 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 521 | TYR | 0 | 0.035 | 0.014 | 123.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 522 | ARG | 1 | 0.826 | 0.912 | 122.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 523 | ASP | -1 | -0.894 | -0.942 | 126.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 524 | CYS | 0 | -0.083 | -0.031 | 129.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 525 | PRO | 0 | 0.041 | 0.019 | 129.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 526 | LEU | 0 | 0.040 | 0.001 | 130.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 527 | ASP | -1 | -0.858 | -0.918 | 131.746 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 528 | ILE | 0 | -0.046 | -0.029 | 126.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 529 | ILE | 0 | -0.043 | -0.028 | 131.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 530 | SER | 0 | 0.014 | 0.007 | 134.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 531 | ASN | 0 | 0.086 | 0.020 | 131.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 532 | LEU | 0 | -0.023 | -0.004 | 130.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 533 | LEU | 0 | -0.030 | -0.011 | 134.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 534 | GLU | -1 | -0.951 | -0.956 | 137.142 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 535 | LEU | 0 | -0.072 | -0.025 | 132.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 536 | ASN | 0 | -0.081 | -0.048 | 133.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 537 | PRO | 0 | 0.082 | 0.038 | 136.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 538 | ARG | 1 | 0.923 | 0.946 | 138.533 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | D | 539 | LEU | 0 | 0.003 | 0.008 | 134.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | D | 540 | TYR | 0 | -0.011 | -0.032 | 138.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | D | 541 | LYS | 1 | 0.926 | 0.981 | 141.894 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | D | 542 | ASP | -1 | -0.888 | -0.948 | 136.680 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | D | 543 | LEU | 0 | 0.037 | 0.015 | 138.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | D | 544 | PRO | 0 | 0.006 | -0.021 | 137.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | D | 545 | THR | 0 | -0.061 | -0.024 | 133.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | D | 546 | THR | 0 | 0.046 | 0.038 | 133.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | D | 547 | LYS | 1 | 0.964 | 0.988 | 134.344 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | D | 548 | SER | 0 | -0.072 | -0.035 | 131.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | D | 549 | LEU | 0 | -0.025 | -0.007 | 128.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | D | 550 | LEU | 0 | 0.051 | 0.039 | 129.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | D | 551 | PHE | 0 | -0.006 | -0.017 | 130.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | D | 552 | GLY | 0 | 0.036 | 0.027 | 127.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | D | 553 | ILE | 0 | 0.000 | -0.013 | 126.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | D | 554 | TYR | 0 | 0.008 | -0.007 | 126.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | D | 555 | ASP | -1 | -0.861 | -0.919 | 125.789 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | D | 556 | SER | 0 | -0.052 | -0.035 | 121.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | D | 557 | LEU | 0 | -0.012 | 0.002 | 121.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | D | 558 | SER | 0 | -0.067 | -0.033 | 121.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | D | 559 | ILE | 0 | -0.044 | -0.003 | 123.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | D | 560 | ASN | 0 | -0.010 | -0.010 | 127.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | D | 561 | ARG | 1 | 0.936 | 0.964 | 129.434 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | D | 562 | GLU | -1 | -0.858 | -0.926 | 132.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | D | 563 | GLY | 0 | -0.036 | -0.020 | 134.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | D | 564 | GLN | 0 | 0.003 | 0.001 | 135.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | D | 565 | THR | 0 | -0.039 | -0.028 | 135.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | D | 566 | GLY | 0 | 0.045 | 0.032 | 137.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | D | 567 | LYS | 1 | 0.857 | 0.899 | 140.114 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | D | 568 | VAL | 0 | 0.009 | 0.015 | 135.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | D | 569 | GLU | -1 | -0.952 | -0.981 | 138.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | D | 570 | VAL | 0 | 0.027 | 0.013 | 140.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | D | 571 | ASP | -1 | -0.789 | -0.883 | 139.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | D | 572 | LEU | 0 | -0.075 | -0.021 | 137.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | D | 573 | MET | 0 | -0.036 | -0.033 | 140.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | D | 574 | VAL | 0 | 0.036 | 0.017 | 143.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | D | 575 | LEU | 0 | 0.043 | 0.029 | 138.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | D | 576 | HIS | 0 | -0.046 | -0.056 | 139.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | D | 577 | ILE | 0 | -0.030 | -0.001 | 143.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | D | 578 | ASP | -1 | -0.823 | -0.892 | 144.263 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | D | 579 | TYR | 0 | 0.007 | -0.026 | 139.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | D | 580 | ALA | 0 | -0.004 | 0.007 | 144.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | D | 581 | LEU | 0 | -0.021 | -0.001 | 147.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | D | 582 | VAL | 0 | -0.008 | 0.022 | 143.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | D | 583 | ASN | 0 | -0.116 | -0.056 | 142.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | D | 584 | LEU | 0 | -0.064 | -0.034 | 147.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | D | 585 | ASP | -1 | -0.779 | -0.828 | 148.767 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | D | 586 | PHE | 0 | 0.030 | 0.000 | 150.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | D | 587 | GLY | 0 | 0.009 | 0.013 | 153.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | D | 588 | THR | 0 | -0.014 | -0.046 | 146.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | D | 589 | ALA | 0 | 0.002 | 0.006 | 149.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | D | 590 | TYR | 0 | 0.022 | 0.000 | 150.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | D | 591 | GLU | -1 | -0.975 | -0.987 | 150.703 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | D | 592 | LEU | 0 | -0.014 | -0.009 | 145.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | D | 593 | GLY | 0 | 0.040 | 0.006 | 149.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | D | 594 | LYS | 1 | 0.918 | 0.962 | 151.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | D | 595 | GLN | 0 | -0.028 | -0.021 | 146.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | D | 596 | VAL | 0 | 0.018 | 0.011 | 146.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | D | 597 | PHE | 0 | 0.016 | -0.003 | 149.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | D | 598 | GLU | -1 | -0.974 | -0.981 | 151.796 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | D | 599 | ILE | 0 | 0.024 | 0.012 | 145.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | D | 600 | CYS | 0 | -0.043 | -0.020 | 148.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | D | 601 | GLN | 0 | 0.060 | 0.017 | 149.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | D | 602 | GLU | -1 | -1.007 | -0.992 | 149.670 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | D | 603 | ALA | 0 | -0.068 | -0.027 | 147.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | D | 604 | GLY | 0 | 0.013 | 0.025 | 148.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | D | 605 | GLN | 0 | 0.002 | -0.033 | 151.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | D | 606 | HIS | 0 | -0.062 | -0.013 | 144.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | D | 607 | MET | 0 | 0.066 | 0.013 | 144.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | D | 608 | MET | 0 | 0.014 | 0.043 | 148.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | D | 609 | LYS | 1 | 0.899 | 0.953 | 150.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | D | 610 | ALA | 0 | -0.030 | 0.000 | 146.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | D | 611 | LEU | 0 | 0.012 | -0.010 | 148.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | D | 612 | GLY | 0 | 0.031 | 0.004 | 149.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | D | 613 | ASP | -1 | -0.891 | -0.979 | 149.403 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | D | 614 | GLU | -1 | -0.934 | -0.950 | 143.606 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | D | 615 | HIS | 0 | 0.011 | -0.016 | 143.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | D | 616 | TRP | 0 | 0.018 | 0.017 | 148.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | D | 617 | LEU | 0 | -0.013 | 0.007 | 149.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | D | 618 | THR | 0 | 0.006 | -0.018 | 147.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | D | 619 | PHE | 0 | -0.020 | -0.013 | 149.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | D | 620 | TYR | 0 | 0.005 | 0.003 | 153.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | D | 621 | GLN | 0 | -0.022 | -0.019 | 149.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | D | 622 | MET | 0 | -0.017 | 0.001 | 152.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | D | 623 | GLY | 0 | -0.008 | -0.012 | 154.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | D | 624 | LYS | 1 | 0.933 | 0.964 | 156.840 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | D | 625 | PHE | 0 | -0.040 | -0.010 | 152.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | D | 626 | VAL | 0 | 0.021 | -0.002 | 156.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | D | 627 | ASP | -1 | -0.832 | -0.917 | 155.350 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | D | 628 | PRO | 0 | -0.034 | -0.018 | 153.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | D | 629 | ASN | 0 | -0.060 | -0.038 | 152.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | D | 630 | TRP | 0 | 0.001 | 0.020 | 157.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | D | 631 | VAL | 0 | -0.001 | -0.014 | 160.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | D | 632 | ASP | -1 | -0.920 | -0.967 | 163.095 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | D | 633 | ASN | 0 | -0.083 | -0.035 | 161.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | D | 634 | GLU | -1 | -0.915 | -0.945 | 163.483 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | D | 635 | ILE | 0 | -0.006 | -0.002 | 162.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | D | 636 | PRO | 0 | 0.037 | 0.022 | 161.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | D | 637 | THR | 0 | 0.070 | 0.018 | 164.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | D | 638 | GLU | -1 | -0.927 | -0.965 | 161.467 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | D | 639 | ILE | 0 | -0.012 | -0.014 | 158.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | D | 640 | ILE | 0 | 0.037 | 0.034 | 161.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | D | 641 | VAL | 0 | -0.021 | -0.006 | 164.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | D | 642 | LEU | 0 | -0.042 | -0.017 | 158.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | D | 643 | GLN | 0 | -0.043 | -0.024 | 158.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | D | 644 | MET | 0 | -0.013 | 0.009 | 160.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | D | 645 | SER | 0 | -0.052 | -0.018 | 161.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | D | 646 | ILE | 0 | 0.033 | 0.003 | 155.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | D | 647 | LEU | 0 | 0.002 | 0.003 | 158.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | D | 648 | GLY | 0 | 0.006 | 0.004 | 160.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | D | 649 | ARG | 1 | 0.880 | 0.936 | 156.100 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | D | 650 | LEU | 0 | -0.026 | -0.005 | 154.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | D | 651 | LEU | 0 | -0.042 | -0.025 | 158.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | D | 652 | GLU | -1 | -1.016 | -0.989 | 158.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | D | 653 | VAL | 0 | -0.046 | -0.023 | 154.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | D | 654 | CYS | 0 | -0.042 | 0.001 | 154.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | D | 655 | PRO | 0 | 0.054 | 0.041 | 153.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | D | 656 | LEU | 0 | -0.017 | -0.034 | 155.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | D | 657 | GLU | -1 | -0.959 | -0.988 | 154.375 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | D | 658 | GLU | -1 | -0.859 | -0.926 | 155.526 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | D | 659 | VAL | 0 | -0.032 | -0.022 | 158.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | D | 660 | GLU | -1 | -0.932 | -0.957 | 161.961 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | D | 661 | ILE | 0 | 0.012 | -0.004 | 157.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | D | 662 | VAL | 0 | 0.028 | 0.019 | 158.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | D | 663 | THR | 0 | -0.006 | -0.005 | 161.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | D | 664 | SER | 0 | -0.051 | -0.029 | 164.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | D | 665 | GLN | 0 | -0.020 | 0.004 | 161.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | D | 666 | TRP | 0 | 0.013 | 0.006 | 164.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | D | 667 | SER | 0 | -0.028 | -0.023 | 165.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | D | 668 | THR | 0 | -0.022 | -0.013 | 166.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | D | 669 | LEU | 0 | -0.047 | -0.026 | 162.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | D | 670 | GLU | -1 | -0.941 | -0.980 | 167.165 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | D | 671 | LEU | 0 | 0.013 | 0.001 | 170.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | D | 672 | GLU | -1 | -0.858 | -0.909 | 168.477 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | D | 673 | LEU | 0 | -0.019 | -0.013 | 168.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | D | 674 | SER | 0 | -0.141 | -0.070 | 171.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | D | 675 | ALA | 0 | -0.016 | -0.010 | 173.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | D | 676 | ARG | 1 | 0.801 | 0.896 | 167.132 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | D | 677 | ASP | -1 | -0.912 | -0.946 | 174.295 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | D | 678 | LEU | 0 | 0.041 | -0.004 | 171.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | D | 679 | VAL | 0 | -0.105 | -0.033 | 173.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | D | 680 | LYS | 1 | 0.842 | 0.898 | 175.168 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | D | 681 | ASP | -1 | -0.757 | -0.867 | 170.182 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | D | 682 | LYS | 1 | 0.847 | 0.943 | 170.356 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | D | 683 | TYR | 0 | -0.003 | -0.014 | 166.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | D | 684 | ALA | 0 | -0.008 | 0.016 | 163.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |