FMODB ID: JQ1K9
Calculation Name: 2QSF-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2QSF
Chain ID: A
UniProt ID: P32628
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
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 | 495 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9581123.293198 |
---|---|
FMO2-HF: Nuclear repulsion | 9375981.47353 |
FMO2-HF: Total energy | -205141.819667 |
FMO2-MP2: Total energy | -205732.814751 |
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(A:126:ARG)
Summations of interaction energy for
fragment #1(A:126:ARG)
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. |
383.156 | 385.205 | -0.02 | -1.132 | -0.897 | 0.001 |
Interaction energy analysis for fragmet #1(A:126:ARG)
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 | A | 128 | SER | 0 | 0.036 | 0.026 | 3.886 | 1.626 | 3.608 | -0.019 | -1.131 | -0.832 | 0.001 |
4 | A | 129 | ARG | 1 | 1.007 | 0.987 | 6.631 | 19.565 | 19.565 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 130 | ASN | 0 | 0.040 | 0.031 | 8.426 | 0.575 | 0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 131 | VAL | 0 | -0.088 | -0.027 | 7.586 | 1.197 | 1.197 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 132 | CYS | 0 | -0.026 | -0.005 | 10.992 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 133 | SER | 0 | 0.058 | 0.009 | 9.609 | -1.828 | -1.828 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 134 | ASN | 0 | 0.051 | 0.010 | 4.794 | 4.041 | 4.108 | -0.001 | -0.001 | -0.065 | 0.000 |
10 | A | 135 | GLU | -1 | -0.783 | -0.864 | 8.517 | -25.747 | -25.747 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 136 | GLU | -1 | -0.710 | -0.803 | 11.900 | -15.910 | -15.910 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 137 | ARG | 1 | 0.921 | 0.944 | 8.245 | 32.498 | 32.498 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 138 | LYS | 1 | 0.842 | 0.917 | 8.647 | 29.968 | 29.968 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 139 | ARG | 1 | 0.931 | 0.939 | 14.238 | 16.876 | 16.876 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 140 | ARG | 1 | 0.775 | 0.868 | 15.424 | 18.585 | 18.585 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 141 | LYS | 1 | 0.821 | 0.897 | 15.475 | 19.146 | 19.146 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 142 | TYR | 0 | 0.040 | 0.012 | 17.837 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 143 | PHE | 0 | 0.052 | 0.020 | 20.264 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 144 | HIS | 0 | -0.028 | -0.001 | 20.588 | 0.799 | 0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 145 | MET | 0 | -0.030 | -0.011 | 21.170 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 146 | LEU | 0 | 0.031 | 0.020 | 23.904 | 0.568 | 0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 147 | TYR | 0 | 0.070 | 0.028 | 25.951 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 148 | LEU | 0 | -0.029 | -0.015 | 24.890 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 149 | VAL | 0 | 0.029 | 0.013 | 27.867 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 150 | CYS | 0 | -0.016 | -0.003 | 30.159 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 151 | LEU | 0 | -0.028 | -0.008 | 29.267 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 152 | MET | 0 | 0.013 | 0.003 | 30.959 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 153 | VAL | 0 | 0.058 | 0.039 | 33.636 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 154 | HIS | 0 | -0.004 | 0.005 | 35.745 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 155 | GLY | 0 | 0.018 | -0.004 | 36.494 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 156 | PHE | 0 | -0.021 | 0.000 | 37.925 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 157 | ILE | 0 | 0.060 | 0.028 | 39.777 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 158 | ARG | 1 | 0.834 | 0.917 | 41.209 | 7.739 | 7.739 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 159 | ASN | 0 | 0.023 | 0.005 | 42.126 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 160 | GLU | -1 | -0.851 | -0.935 | 43.928 | -7.037 | -7.037 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 161 | TRP | 0 | -0.108 | -0.061 | 44.983 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 162 | ILE | 0 | -0.003 | 0.001 | 44.562 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 163 | ASN | 0 | -0.015 | 0.005 | 48.308 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 164 | SER | 0 | -0.027 | -0.004 | 50.294 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 165 | LYS | 1 | 1.031 | 1.011 | 52.860 | 5.823 | 5.823 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 166 | ARG | 1 | 0.903 | 0.953 | 55.775 | 5.809 | 5.809 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 167 | LEU | 0 | -0.009 | -0.011 | 51.692 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 168 | SER | 0 | 0.035 | 0.008 | 55.202 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 169 | ARG | 1 | 0.957 | 0.984 | 56.573 | 5.328 | 5.328 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 170 | LYS | 1 | 0.974 | 0.991 | 58.713 | 5.336 | 5.336 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 171 | LEU | 0 | -0.002 | -0.023 | 53.402 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 172 | SER | 0 | 0.021 | -0.008 | 57.779 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 173 | ASN | 0 | -0.026 | -0.008 | 59.898 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 174 | LEU | 0 | -0.033 | -0.001 | 57.424 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 175 | VAL | 0 | -0.025 | -0.025 | 57.427 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 176 | PRO | 0 | 0.022 | 0.012 | 60.692 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 177 | GLU | -1 | -0.809 | -0.900 | 63.072 | -4.997 | -4.997 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 178 | LYS | 1 | 1.008 | 0.998 | 64.216 | 4.653 | 4.653 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 179 | VAL | 0 | -0.055 | -0.031 | 58.529 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 180 | PHE | 0 | 0.054 | 0.018 | 59.711 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 181 | GLU | -1 | -0.866 | -0.932 | 60.669 | -4.893 | -4.893 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 182 | LEU | 0 | -0.071 | -0.014 | 58.893 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 183 | LEU | 0 | -0.038 | -0.032 | 54.488 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 184 | HIS | 1 | 0.671 | 0.829 | 56.565 | 5.373 | 5.373 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 185 | PRO | 0 | -0.013 | 0.010 | 57.286 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 186 | GLN | 0 | 0.115 | 0.056 | 60.211 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 187 | LYS | 1 | 0.770 | 0.855 | 58.665 | 5.210 | 5.210 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 188 | ASP | -1 | -0.770 | -0.848 | 60.799 | -4.988 | -4.988 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 189 | GLU | -1 | -0.802 | -0.906 | 61.165 | -5.218 | -5.218 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 190 | GLU | -1 | -0.911 | -0.918 | 62.963 | -4.882 | -4.882 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 191 | LEU | 0 | 0.025 | -0.007 | 57.838 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 192 | PRO | 0 | 0.025 | 0.014 | 56.287 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 193 | LEU | 0 | 0.005 | 0.012 | 53.119 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 194 | ARG | 1 | 0.910 | 0.920 | 56.107 | 4.985 | 4.985 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 195 | SER | 0 | -0.010 | -0.004 | 57.926 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 196 | THR | 0 | -0.053 | -0.058 | 51.794 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 197 | ARG | 1 | 0.856 | 0.909 | 54.472 | 5.430 | 5.430 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 198 | LYS | 1 | 0.962 | 0.976 | 56.221 | 5.048 | 5.048 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 199 | LEU | 0 | 0.030 | 0.024 | 52.213 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 200 | LEU | 0 | -0.044 | -0.022 | 49.879 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 201 | ASP | -1 | -0.817 | -0.891 | 53.536 | -5.496 | -5.496 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 202 | GLY | 0 | 0.037 | 0.018 | 56.739 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 203 | LEU | 0 | -0.004 | -0.008 | 49.731 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 204 | LYS | 1 | 0.898 | 0.940 | 52.904 | 5.574 | 5.574 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 205 | LYS | 1 | 0.868 | 0.918 | 54.006 | 5.326 | 5.326 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 206 | CYS | 0 | -0.010 | -0.001 | 53.605 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 207 | MET | 0 | -0.018 | 0.002 | 49.989 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 208 | GLU | -1 | -0.810 | -0.884 | 52.665 | -5.453 | -5.453 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 209 | LEU | 0 | -0.035 | 0.004 | 55.765 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 210 | TRP | 0 | 0.029 | 0.003 | 49.576 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 211 | GLN | 0 | 0.006 | 0.006 | 51.307 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 212 | LYS | 1 | 0.913 | 0.962 | 53.925 | 5.403 | 5.403 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 213 | HIS | 0 | -0.012 | 0.004 | 54.101 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 214 | TRP | 0 | -0.042 | -0.018 | 49.014 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 215 | LYS | 1 | 0.877 | 0.937 | 53.638 | 5.358 | 5.358 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 216 | ILE | 0 | 0.016 | 0.017 | 51.858 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 217 | THR | 0 | 0.037 | 0.011 | 47.239 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 218 | LYS | 1 | 0.808 | 0.894 | 45.537 | 6.911 | 6.911 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 219 | LYS | 1 | 0.998 | 0.988 | 43.430 | 6.862 | 6.862 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 220 | TYR | 0 | -0.029 | -0.059 | 39.538 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 221 | ASP | -1 | -0.820 | -0.888 | 41.619 | -7.170 | -7.170 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 222 | ASN | 0 | -0.010 | -0.008 | 36.941 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 223 | GLU | -1 | -0.693 | -0.808 | 33.215 | -9.109 | -9.109 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 224 | GLY | 0 | 0.017 | 0.013 | 35.115 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 225 | LEU | 0 | -0.026 | -0.016 | 34.019 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 226 | TYR | 0 | -0.019 | -0.029 | 32.040 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 227 | MET | 0 | -0.099 | -0.027 | 24.558 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 228 | ARG | 1 | 0.809 | 0.876 | 27.345 | 10.178 | 10.178 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 229 | THR | 0 | -0.001 | -0.011 | 23.688 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 230 | TRP | 0 | 0.000 | -0.033 | 18.875 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 231 | LYS | 1 | 0.846 | 0.922 | 22.476 | 12.811 | 12.811 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 232 | GLU | -1 | -0.710 | -0.842 | 24.426 | -10.249 | -10.249 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 233 | ILE | 0 | -0.035 | -0.022 | 24.516 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 234 | GLU | -1 | -0.844 | -0.878 | 22.674 | -12.891 | -12.891 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 235 | MET | 0 | 0.039 | 0.027 | 25.453 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 236 | SER | 0 | -0.088 | -0.046 | 28.699 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 237 | ALA | 0 | 0.027 | 0.020 | 29.751 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 238 | ASN | 0 | 0.009 | 0.004 | 28.726 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 239 | ASN | 0 | -0.008 | -0.007 | 32.617 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 240 | LYS | 1 | 0.907 | 0.941 | 34.632 | 8.843 | 8.843 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 241 | ARG | 1 | 0.833 | 0.896 | 34.134 | 9.182 | 9.182 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 242 | LYS | 1 | 0.990 | 0.993 | 38.325 | 7.044 | 7.044 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 243 | PHE | 0 | 0.024 | 0.006 | 36.343 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 244 | LYS | 1 | 0.954 | 0.987 | 42.405 | 6.545 | 6.545 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 245 | THR | 0 | 0.039 | 0.010 | 44.977 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 246 | LEU | 0 | -0.035 | -0.010 | 45.127 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 247 | LYS | 1 | 0.919 | 0.935 | 45.752 | 6.131 | 6.131 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 248 | ARG | 1 | 0.971 | 0.981 | 48.214 | 6.572 | 6.572 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 249 | SER | 0 | 0.028 | -0.022 | 49.094 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 250 | ASP | -1 | -0.824 | -0.869 | 49.664 | -6.192 | -6.192 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 251 | PHE | 0 | 0.081 | 0.039 | 46.330 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 252 | LEU | 0 | -0.009 | 0.000 | 49.441 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 253 | ARG | 1 | 0.945 | 0.978 | 52.559 | 5.799 | 5.799 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 254 | ALA | 0 | 0.033 | 0.034 | 50.475 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 255 | VAL | 0 | 0.058 | 0.031 | 49.605 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 256 | SER | 0 | -0.094 | -0.055 | 52.318 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 257 | LYS | 1 | 0.881 | 0.939 | 55.269 | 5.620 | 5.620 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 258 | GLY | 0 | 0.031 | 0.048 | 53.602 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 259 | HIS | 0 | -0.027 | -0.026 | 52.516 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 260 | GLY | 0 | 0.032 | 0.001 | 48.486 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 261 | ASP | -1 | -0.813 | -0.885 | 43.190 | -7.215 | -7.215 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 262 | PRO | 0 | 0.040 | 0.004 | 42.267 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 263 | ASP | -1 | -0.835 | -0.890 | 38.766 | -8.041 | -8.041 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 264 | ILE | 0 | -0.045 | -0.035 | 42.133 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 265 | SER | 0 | 0.020 | 0.024 | 45.250 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 266 | VAL | 0 | -0.011 | -0.012 | 42.283 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 267 | GLN | 0 | 0.005 | 0.013 | 40.966 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 268 | GLY | 0 | 0.007 | -0.012 | 45.487 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 269 | PHE | 0 | 0.021 | 0.013 | 47.686 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 270 | VAL | 0 | 0.002 | -0.010 | 44.627 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 271 | ALA | 0 | -0.018 | -0.007 | 48.116 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 272 | MET | 0 | 0.008 | 0.018 | 50.716 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 273 | LEU | 0 | 0.034 | 0.012 | 49.290 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 274 | ARG | 1 | 0.748 | 0.855 | 44.617 | 6.948 | 6.948 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 275 | ALA | 0 | -0.049 | -0.011 | 52.311 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 276 | CYS | 0 | -0.016 | 0.012 | 55.531 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 277 | ASN | 0 | 0.028 | 0.014 | 55.106 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 278 | VAL | 0 | 0.059 | 0.053 | 51.485 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 279 | ASN | 0 | -0.029 | -0.021 | 47.370 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 280 | ALA | 0 | 0.037 | 0.015 | 47.353 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 281 | ARG | 1 | 0.777 | 0.847 | 40.427 | 7.706 | 7.706 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 282 | LEU | 0 | 0.002 | 0.009 | 40.447 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 283 | ILE | 0 | -0.045 | -0.021 | 36.951 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 284 | MET | 0 | 0.028 | 0.010 | 33.717 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 285 | SER | 0 | -0.011 | 0.009 | 31.688 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 286 | CYS | 0 | -0.005 | 0.000 | 30.024 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 287 | GLN | 0 | 0.023 | 0.006 | 27.896 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 288 | PRO | 0 | 0.020 | 0.021 | 24.453 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 289 | PRO | 0 | 0.076 | 0.055 | 22.303 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 290 | ASP | -1 | -0.776 | -0.884 | 18.957 | -15.993 | -15.993 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 291 | PHE | 0 | 0.000 | 0.000 | 15.542 | -0.736 | -0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 292 | THR | 0 | -0.131 | -0.083 | 14.603 | -1.401 | -1.401 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 293 | ASN | 0 | 0.006 | 0.006 | 14.726 | -1.222 | -1.222 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 294 | MET | 0 | 0.009 | -0.001 | 10.435 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 295 | LYS | 1 | 0.912 | 0.967 | 13.313 | 13.775 | 13.775 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 296 | ILE | 0 | 0.047 | 0.036 | 15.130 | 0.569 | 0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 297 | ASP | -1 | -0.684 | -0.829 | 16.683 | -12.668 | -12.668 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 298 | THR | 0 | -0.115 | -0.070 | 19.559 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 299 | SER | 0 | 0.053 | 0.008 | 21.962 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 300 | LEU | 0 | -0.090 | -0.033 | 25.534 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 301 | ASN | 0 | -0.044 | -0.022 | 25.370 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 302 | GLY | 0 | 0.020 | 0.014 | 27.805 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 303 | ASN | 0 | -0.094 | -0.064 | 28.781 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 304 | ASN | 0 | 0.006 | 0.010 | 31.270 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 305 | ALA | 0 | 0.056 | 0.029 | 32.893 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 306 | TYR | 0 | 0.045 | 0.006 | 36.072 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 307 | LYS | 1 | 0.961 | 0.970 | 38.211 | 7.181 | 7.181 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 308 | ASP | -1 | -0.838 | -0.906 | 34.391 | -8.328 | -8.328 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 309 | MET | 0 | -0.011 | 0.021 | 33.644 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 310 | VAL | 0 | -0.002 | -0.011 | 34.737 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 311 | LYS | 1 | 0.872 | 0.943 | 36.433 | 8.377 | 8.377 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 312 | TYR | 0 | 0.061 | 0.028 | 34.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 313 | PRO | 0 | -0.009 | 0.025 | 36.209 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 314 | ILE | 0 | 0.032 | 0.025 | 32.832 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 315 | PHE | 0 | 0.004 | -0.014 | 35.978 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 316 | TRP | 0 | -0.016 | -0.017 | 34.603 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 317 | CYS | 0 | -0.043 | 0.006 | 41.395 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 318 | GLU | -1 | -0.748 | -0.842 | 40.071 | -7.929 | -7.929 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 319 | VAL | 0 | 0.013 | -0.001 | 43.952 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 320 | TRP | 0 | -0.008 | 0.009 | 45.399 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 321 | ASP | -1 | -0.711 | -0.807 | 47.972 | -5.942 | -5.942 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 322 | LYS | 1 | 0.928 | 0.966 | 50.290 | 5.502 | 5.502 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 323 | PHE | 0 | -0.004 | -0.005 | 52.722 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 324 | SER | 0 | -0.024 | -0.043 | 49.712 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 325 | LYS | 1 | 0.873 | 0.950 | 48.222 | 5.932 | 5.932 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 326 | LYS | 1 | 0.875 | 0.930 | 43.383 | 6.878 | 6.878 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 327 | TRP | 0 | 0.014 | 0.006 | 42.525 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 328 | ILE | 0 | -0.029 | -0.004 | 44.207 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 329 | THR | 0 | -0.004 | 0.000 | 40.687 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 330 | VAL | 0 | 0.005 | -0.016 | 43.380 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 331 | ASP | -1 | -0.707 | -0.845 | 42.176 | -7.410 | -7.410 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 332 | PRO | 0 | -0.029 | -0.023 | 44.474 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 333 | VAL | 0 | -0.059 | -0.026 | 45.124 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 334 | ASN | 0 | -0.060 | -0.046 | 39.733 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 335 | LEU | 0 | 0.013 | -0.005 | 39.235 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 336 | LYS | 1 | 0.847 | 0.944 | 43.677 | 6.414 | 6.414 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 337 | THR | 0 | 0.004 | -0.016 | 45.275 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 338 | ILE | 0 | 0.001 | 0.001 | 46.123 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 339 | GLU | -1 | -0.770 | -0.852 | 40.443 | -7.606 | -7.606 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 340 | GLN | 0 | 0.024 | 0.004 | 44.438 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 341 | VAL | 0 | -0.007 | 0.004 | 38.019 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 342 | ARG | 1 | 0.957 | 1.005 | 40.964 | 6.849 | 6.849 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 343 | LEU | 0 | 0.111 | 0.041 | 37.054 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 344 | HIS | 0 | 0.037 | 0.013 | 35.386 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 345 | SER | 0 | -0.044 | -0.036 | 36.429 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 346 | LYS | 1 | 0.874 | 0.903 | 37.166 | 6.953 | 6.953 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 347 | LEU | 0 | 0.009 | 0.001 | 37.670 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 348 | ALA | 0 | -0.032 | -0.006 | 32.749 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 349 | PRO | 0 | -0.001 | 0.005 | 30.498 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 350 | LYS | 1 | 0.860 | 0.936 | 31.487 | 8.523 | 8.523 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 351 | GLY | 0 | 0.050 | 0.027 | 30.866 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 352 | VAL | 0 | 0.028 | 0.004 | 26.198 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 353 | ALA | 0 | 0.080 | 0.049 | 28.519 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 354 | CYS | 0 | -0.038 | -0.012 | 30.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 355 | CYS | 0 | -0.054 | -0.033 | 26.650 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 356 | GLU | -1 | -0.799 | -0.884 | 26.351 | -10.987 | -10.987 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 357 | ARG | 1 | 0.822 | 0.879 | 27.238 | 9.969 | 9.969 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 358 | ASN | 0 | -0.011 | 0.000 | 29.485 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 359 | MET | 0 | 0.069 | 0.071 | 21.505 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 360 | LEU | 0 | 0.005 | 0.017 | 26.816 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 361 | ARG | 1 | 0.800 | 0.869 | 22.490 | 12.044 | 12.044 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 362 | TYR | 0 | 0.025 | -0.013 | 22.605 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 363 | VAL | 0 | 0.017 | 0.023 | 28.816 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 364 | ILE | 0 | -0.006 | 0.003 | 30.593 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 365 | ALA | 0 | 0.012 | 0.001 | 34.259 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 366 | TYR | 0 | 0.013 | -0.006 | 35.669 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 367 | ASP | -1 | -0.775 | -0.881 | 40.705 | -7.123 | -7.123 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 368 | ARG | 1 | 0.894 | 0.925 | 44.301 | 6.203 | 6.203 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 369 | LYS | 1 | 0.902 | 0.957 | 46.644 | 6.389 | 6.389 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 370 | TYR | 0 | 0.037 | 0.026 | 43.885 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 371 | GLY | 0 | 0.040 | 0.040 | 41.687 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 372 | CYS | 0 | -0.039 | -0.026 | 36.227 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 373 | ARG | 1 | 0.803 | 0.866 | 35.787 | 8.170 | 8.170 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 374 | ASP | -1 | -0.758 | -0.846 | 29.584 | -10.524 | -10.524 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 375 | VAL | 0 | 0.008 | 0.005 | 32.996 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 376 | THR | 0 | -0.010 | -0.029 | 28.321 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 377 | ARG | 1 | 0.757 | 0.868 | 30.075 | 9.857 | 9.857 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 378 | ARG | 1 | 0.816 | 0.910 | 32.330 | 8.019 | 8.019 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 379 | TYR | 0 | -0.026 | -0.032 | 33.428 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 380 | ALA | 0 | -0.005 | -0.008 | 28.826 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 381 | GLN | 0 | 0.025 | 0.014 | 30.860 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 382 | TRP | 0 | 0.055 | 0.030 | 26.534 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 383 | MET | 0 | -0.042 | -0.015 | 25.952 | -0.639 | -0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 384 | ASN | 0 | -0.051 | -0.074 | 24.727 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 385 | SER | 0 | -0.033 | -0.030 | 22.461 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 386 | LYS | 1 | 0.797 | 0.886 | 21.573 | 11.886 | 11.886 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 387 | VAL | 0 | -0.038 | -0.016 | 21.973 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 388 | ARG | 1 | 0.957 | 0.996 | 19.107 | 14.146 | 14.146 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 389 | LYS | 1 | 0.937 | 0.962 | 15.515 | 16.762 | 16.762 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 390 | ARG | 1 | 0.869 | 0.902 | 17.096 | 12.360 | 12.360 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 391 | ARG | 1 | 0.776 | 0.872 | 19.678 | 11.641 | 11.641 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 392 | ILE | 0 | 0.010 | -0.003 | 18.847 | -0.981 | -0.981 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 393 | THR | 0 | 0.002 | -0.036 | 19.836 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 394 | LYS | 1 | 0.834 | 0.943 | 14.380 | 19.054 | 19.054 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 395 | ASP | -1 | -0.814 | -0.904 | 15.781 | -18.347 | -18.347 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 396 | ASP | -1 | -0.771 | -0.878 | 17.823 | -13.743 | -13.743 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 397 | PHE | 0 | 0.020 | 0.017 | 18.589 | 0.709 | 0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 398 | GLY | 0 | 0.029 | 0.006 | 19.499 | 0.697 | 0.697 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 399 | GLU | -1 | -0.780 | -0.842 | 21.106 | -11.148 | -11.148 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 400 | LYS | 1 | 0.858 | 0.905 | 22.507 | 14.087 | 14.087 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 401 | TRP | 0 | -0.030 | -0.003 | 23.595 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 402 | PHE | 0 | 0.000 | -0.011 | 25.105 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 403 | ARG | 1 | 0.874 | 0.909 | 26.925 | 11.216 | 11.216 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 404 | LYS | 1 | 0.985 | 1.006 | 26.740 | 11.886 | 11.886 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 405 | VAL | 0 | 0.023 | 0.015 | 28.410 | 0.374 | 0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 406 | ILE | 0 | -0.022 | -0.017 | 30.530 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 407 | THR | 0 | -0.046 | -0.035 | 33.145 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 408 | ALA | 0 | 0.003 | 0.006 | 34.301 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 409 | LEU | 0 | -0.011 | 0.000 | 34.500 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 410 | HIS | 0 | -0.018 | 0.008 | 37.677 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 411 | HIS | 0 | -0.018 | -0.015 | 39.323 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 412 | ARG | 1 | 0.743 | 0.838 | 42.480 | 7.577 | 7.577 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 413 | LYS | 1 | 0.928 | 0.953 | 41.046 | 7.448 | 7.448 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 414 | ARG | 1 | 0.834 | 0.905 | 38.269 | 7.960 | 7.960 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 415 | THR | 0 | 0.001 | -0.004 | 43.496 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 416 | LYS | 1 | 0.995 | 0.979 | 45.129 | 6.676 | 6.676 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 417 | ILE | 0 | -0.025 | -0.011 | 45.022 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 418 | ASP | -1 | -0.753 | -0.857 | 40.971 | -7.605 | -7.605 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 419 | ASP | -1 | -0.790 | -0.874 | 41.092 | -7.401 | -7.401 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 420 | TYR | 0 | 0.033 | 0.009 | 42.417 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 421 | GLU | -1 | -0.772 | -0.816 | 38.861 | -7.964 | -7.964 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 422 | ASP | -1 | -0.743 | -0.847 | 37.743 | -8.528 | -8.528 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 423 | GLN | 0 | 0.012 | 0.005 | 37.997 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 424 | TYR | 0 | -0.013 | -0.025 | 37.971 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 425 | PHE | 0 | -0.041 | -0.044 | 34.524 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 426 | PHE | 0 | 0.032 | 0.026 | 34.645 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 427 | GLN | 0 | 0.077 | 0.033 | 35.343 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 428 | ARG | 1 | 0.771 | 0.887 | 33.525 | 8.722 | 8.722 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 429 | ASP | -1 | -0.783 | -0.852 | 30.544 | -10.418 | -10.418 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 430 | GLU | -1 | -0.928 | -0.968 | 31.738 | -8.482 | -8.482 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 431 | SER | 0 | -0.048 | -0.043 | 34.122 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 432 | GLU | -1 | -0.803 | -0.854 | 26.985 | -11.115 | -11.115 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 433 | GLY | 0 | 0.056 | 0.033 | 30.711 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 434 | ILE | 0 | -0.031 | -0.017 | 26.122 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 435 | PRO | 0 | -0.057 | -0.025 | 23.576 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 436 | ASP | -1 | -0.812 | -0.896 | 25.237 | -11.635 | -11.635 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 437 | SER | 0 | -0.052 | -0.053 | 20.506 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 438 | VAL | 0 | 0.049 | 0.010 | 16.617 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 439 | GLN | 0 | 0.009 | -0.004 | 15.580 | -0.635 | -0.635 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 440 | ASP | -1 | -0.826 | -0.869 | 17.031 | -13.762 | -13.762 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 441 | LEU | 0 | 0.047 | 0.007 | 19.539 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 442 | LYS | 1 | 0.797 | 0.886 | 13.604 | 17.191 | 17.191 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 443 | ASN | 0 | -0.076 | -0.037 | 13.731 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 444 | HIS | 0 | 0.062 | 0.053 | 17.623 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 445 | PRO | 0 | -0.041 | -0.019 | 21.094 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 446 | TYR | 0 | -0.015 | -0.028 | 23.565 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 447 | TYR | 0 | 0.027 | 0.021 | 24.192 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 448 | VAL | 0 | -0.026 | -0.012 | 20.389 | -0.735 | -0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 449 | LEU | 0 | 0.021 | 0.027 | 18.986 | 0.546 | 0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 450 | GLU | -1 | -0.790 | -0.895 | 21.112 | -11.658 | -11.658 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 451 | GLN | 0 | 0.025 | 0.000 | 18.312 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 452 | ASP | -1 | -0.828 | -0.889 | 16.124 | -17.717 | -17.717 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 453 | ILE | 0 | -0.009 | 0.011 | 17.946 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 454 | LYS | 1 | 0.841 | 0.916 | 15.610 | 17.179 | 17.179 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 455 | GLN | 0 | 0.062 | 0.030 | 19.434 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 456 | THR | 0 | 0.050 | 0.014 | 21.247 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 457 | GLN | 0 | -0.051 | -0.019 | 21.623 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 458 | ILE | 0 | -0.001 | 0.004 | 24.655 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 459 | VAL | 0 | 0.029 | 0.009 | 27.752 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 460 | LYS | 1 | 0.837 | 0.897 | 29.687 | 10.136 | 10.136 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 461 | PRO | 0 | 0.033 | 0.013 | 32.883 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 462 | GLY | 0 | 0.052 | 0.027 | 36.102 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 463 | CYS | 0 | -0.094 | -0.034 | 33.220 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 464 | LYS | 1 | 0.893 | 0.924 | 32.585 | 8.774 | 8.774 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 465 | GLU | -1 | -0.845 | -0.878 | 29.688 | -9.504 | -9.504 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 466 | CYS | 0 | -0.014 | -0.011 | 29.763 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 467 | GLY | 0 | 0.021 | 0.012 | 30.144 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 468 | TYR | 0 | -0.014 | -0.032 | 28.238 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 469 | LEU | 0 | 0.002 | 0.011 | 22.330 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 470 | LYS | 1 | 0.865 | 0.920 | 25.191 | 10.038 | 10.038 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 471 | VAL | 0 | 0.014 | 0.023 | 20.640 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 472 | HIS | 0 | 0.058 | 0.026 | 23.518 | 0.465 | 0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 473 | GLY | 0 | 0.071 | 0.032 | 23.575 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 474 | LYS | 1 | 0.992 | 0.995 | 25.556 | 9.016 | 9.016 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 475 | VAL | 0 | 0.051 | 0.031 | 22.880 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 476 | GLY | 0 | -0.024 | 0.003 | 23.948 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 477 | LYS | 1 | 0.924 | 0.940 | 21.509 | 12.444 | 12.444 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 478 | VAL | 0 | 0.023 | 0.008 | 24.888 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 479 | LEU | 0 | -0.024 | 0.005 | 20.648 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 480 | LYS | 1 | 0.876 | 0.922 | 25.016 | 10.714 | 10.714 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 481 | VAL | 0 | -0.020 | -0.007 | 24.695 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 482 | TYR | 0 | 0.049 | 0.011 | 25.632 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 483 | ALA | 0 | 0.040 | 0.012 | 26.125 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 484 | LYS | 1 | 0.849 | 0.891 | 20.387 | 13.907 | 13.907 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 485 | ARG | 1 | 0.870 | 0.934 | 26.543 | 9.252 | 9.252 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 486 | ASP | -1 | -0.756 | -0.863 | 29.522 | -9.248 | -9.248 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 487 | ILE | 0 | -0.030 | 0.003 | 24.382 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 488 | ALA | 0 | 0.006 | 0.004 | 27.759 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 489 | ASP | -1 | -0.882 | -0.933 | 23.455 | -12.895 | -12.895 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 490 | LEU | 0 | -0.025 | -0.001 | 26.076 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 491 | LYS | 1 | 0.844 | 0.916 | 25.373 | 10.897 | 10.897 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 492 | SER | 0 | -0.005 | -0.022 | 26.357 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 493 | ALA | 0 | 0.032 | 0.015 | 28.256 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 494 | ARG | 1 | 0.873 | 0.903 | 27.227 | 10.696 | 10.696 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 495 | GLN | 0 | 0.000 | -0.004 | 23.612 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 496 | TRP | 0 | 0.007 | -0.027 | 26.631 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 497 | TYR | 0 | 0.020 | 0.014 | 29.828 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 498 | MET | 0 | -0.090 | -0.013 | 24.462 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 499 | ASN | 0 | -0.068 | -0.032 | 26.085 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 500 | GLY | 0 | 0.054 | 0.035 | 29.677 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 501 | ARG | 1 | 0.837 | 0.913 | 32.789 | 9.134 | 9.134 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 502 | ILE | 0 | 0.043 | 0.023 | 33.813 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 503 | LEU | 0 | -0.051 | -0.036 | 33.591 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 504 | LYS | 1 | 0.929 | 0.972 | 37.137 | 7.952 | 7.952 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 505 | THR | 0 | 0.038 | 0.008 | 40.491 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 506 | GLY | 0 | 0.036 | 0.032 | 42.961 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 507 | SER | 0 | -0.058 | -0.038 | 37.670 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 508 | ARG | 1 | 0.890 | 0.936 | 37.388 | 7.766 | 7.766 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 509 | CYS | 0 | -0.047 | -0.011 | 32.152 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 510 | LYS | 1 | 0.881 | 0.925 | 31.915 | 8.921 | 8.921 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 511 | LYS | 1 | 0.833 | 0.919 | 24.875 | 11.845 | 11.845 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 512 | VAL | 0 | 0.030 | 0.010 | 28.783 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 513 | ILE | 0 | -0.042 | -0.011 | 21.972 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 514 | LYS | 1 | 0.874 | 0.917 | 23.986 | 11.555 | 11.555 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 515 | ARG | 1 | 0.964 | 0.973 | 18.720 | 14.378 | 14.378 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 528 | ASP | -1 | -0.787 | -0.871 | 26.212 | -11.563 | -11.563 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 529 | GLU | -1 | -0.850 | -0.893 | 23.503 | -12.286 | -12.286 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 530 | ARG | 1 | 0.976 | 0.983 | 27.162 | 9.039 | 9.039 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 531 | LEU | 0 | -0.038 | -0.027 | 24.849 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 532 | TYR | 0 | 0.049 | 0.014 | 29.215 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 533 | SER | 0 | -0.003 | -0.032 | 30.486 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 534 | PHE | 0 | 0.024 | 0.010 | 32.515 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 535 | GLU | -1 | -0.815 | -0.876 | 34.210 | -8.774 | -8.774 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 536 | ASP | -1 | -0.801 | -0.868 | 34.964 | -8.608 | -8.608 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 537 | THR | 0 | -0.023 | -0.005 | 33.298 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 538 | GLU | -1 | -0.904 | -0.962 | 36.652 | -7.337 | -7.337 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 539 | LEU | 0 | -0.019 | -0.008 | 37.137 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 540 | TYR | 0 | 0.019 | 0.001 | 36.267 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 541 | ILE | 0 | 0.024 | 0.003 | 38.209 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 542 | PRO | 0 | -0.037 | 0.006 | 39.334 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 543 | PRO | 0 | 0.037 | 0.008 | 41.286 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 544 | LEU | 0 | -0.046 | -0.025 | 43.976 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 545 | ALA | 0 | -0.004 | 0.001 | 45.398 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 546 | SER | 0 | 0.036 | 0.017 | 46.996 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 547 | ALA | 0 | 0.048 | 0.012 | 50.438 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 548 | SER | 0 | 0.000 | 0.008 | 51.300 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 549 | GLY | 0 | -0.019 | -0.016 | 48.353 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 550 | GLU | -1 | -0.973 | -0.983 | 46.356 | -6.692 | -6.692 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 551 | ILE | 0 | -0.019 | 0.001 | 40.703 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 552 | THR | 0 | 0.032 | 0.001 | 41.971 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 553 | LYS | 1 | 0.778 | 0.888 | 39.156 | 7.201 | 7.201 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 554 | ASN | 0 | 0.030 | 0.002 | 33.655 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 555 | THR | 0 | 0.040 | -0.001 | 35.953 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 556 | PHE | 0 | -0.066 | -0.024 | 32.372 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 557 | GLY | 0 | 0.031 | 0.027 | 35.868 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 558 | ASN | 0 | -0.052 | -0.031 | 33.890 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 559 | ILE | 0 | 0.065 | 0.038 | 35.369 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 560 | GLU | -1 | -0.812 | -0.879 | 30.731 | -10.229 | -10.229 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 561 | VAL | 0 | 0.007 | -0.011 | 31.585 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 562 | PHE | 0 | 0.017 | -0.011 | 27.615 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 563 | ALA | 0 | 0.003 | -0.001 | 29.533 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 564 | PRO | 0 | 0.035 | 0.010 | 32.336 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 565 | THR | 0 | -0.016 | -0.015 | 35.658 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 566 | MET | 0 | -0.069 | 0.002 | 32.580 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 567 | ILE | 0 | -0.011 | 0.018 | 36.503 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 568 | PRO | 0 | 0.028 | 0.016 | 38.906 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 569 | GLY | 0 | 0.061 | 0.035 | 42.491 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 570 | ASN | 0 | 0.012 | 0.007 | 45.063 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 571 | CYS | 0 | -0.051 | -0.001 | 42.496 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 572 | CYS | 0 | -0.074 | -0.039 | 40.969 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 573 | LEU | 0 | 0.023 | 0.007 | 33.033 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 574 | VAL | 0 | 0.004 | -0.001 | 37.196 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 575 | GLU | -1 | -0.891 | -0.909 | 29.673 | -10.538 | -10.538 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 576 | ASN | 0 | 0.082 | 0.023 | 33.079 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 577 | PRO | 0 | -0.010 | -0.002 | 30.225 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 578 | VAL | 0 | 0.016 | 0.018 | 32.259 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 579 | ALA | 0 | 0.035 | 0.017 | 35.779 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 580 | ILE | 0 | -0.022 | -0.012 | 33.050 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 581 | LYS | 1 | 0.933 | 0.972 | 36.967 | 8.280 | 8.280 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 582 | ALA | 0 | 0.048 | 0.027 | 38.911 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 583 | ALA | 0 | 0.026 | 0.006 | 40.818 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 584 | ARG | 1 | 0.923 | 0.953 | 37.244 | 8.142 | 8.142 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 585 | PHE | 0 | 0.015 | 0.013 | 42.779 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 586 | LEU | 0 | -0.016 | -0.007 | 44.934 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 587 | GLY | 0 | -0.013 | 0.010 | 46.312 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 588 | VAL | 0 | -0.039 | -0.005 | 45.228 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 589 | GLU | -1 | -0.748 | -0.871 | 45.034 | -7.254 | -7.254 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 590 | PHE | 0 | -0.046 | -0.036 | 37.928 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 591 | ALA | 0 | 0.017 | 0.022 | 38.413 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 592 | PRO | 0 | 0.009 | 0.009 | 34.430 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 593 | ALA | 0 | 0.008 | 0.007 | 33.329 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 594 | VAL | 0 | -0.038 | -0.024 | 28.145 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 595 | THR | 0 | 0.026 | 0.000 | 28.262 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 596 | SER | 0 | -0.053 | -0.030 | 22.932 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 597 | PHE | 0 | 0.002 | -0.012 | 22.108 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 598 | LYS | 1 | 0.938 | 0.990 | 18.610 | 14.624 | 14.624 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 599 | PHE | 0 | 0.001 | -0.011 | 12.814 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 600 | GLU | -1 | -0.832 | -0.895 | 12.814 | -19.422 | -19.422 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 601 | ARG | 1 | 0.874 | 0.913 | 13.086 | 20.255 | 20.255 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 602 | GLY | 0 | 0.048 | 0.025 | 17.238 | 0.628 | 0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 603 | SER | 0 | 0.035 | 0.026 | 18.498 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 604 | THR | 0 | -0.042 | -0.017 | 21.413 | 0.787 | 0.787 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 605 | VAL | 0 | -0.001 | 0.006 | 22.933 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 606 | LYS | 1 | 0.880 | 0.919 | 20.465 | 13.277 | 13.277 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 607 | PRO | 0 | 0.066 | 0.023 | 23.616 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 608 | VAL | 0 | -0.045 | -0.015 | 22.773 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 609 | LEU | 0 | 0.030 | 0.015 | 26.079 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 610 | SER | 0 | -0.056 | -0.045 | 27.965 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 611 | GLY | 0 | 0.051 | 0.014 | 29.673 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 612 | ILE | 0 | -0.044 | 0.007 | 33.508 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 613 | VAL | 0 | -0.013 | -0.009 | 36.639 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 614 | VAL | 0 | 0.063 | 0.019 | 39.036 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 615 | ALA | 0 | 0.112 | 0.038 | 42.812 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 616 | LYS | 1 | 0.838 | 0.906 | 44.919 | 6.976 | 6.976 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 617 | TRP | 0 | 0.017 | 0.012 | 47.037 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 618 | LEU | 0 | 0.007 | 0.004 | 46.569 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 619 | ARG | 1 | 0.785 | 0.885 | 39.781 | 7.505 | 7.505 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 620 | GLU | -1 | -0.850 | -0.934 | 45.122 | -6.816 | -6.816 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 621 | ALA | 0 | 0.015 | 0.027 | 47.360 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 622 | ILE | 0 | 0.025 | 0.005 | 41.716 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 623 | GLU | -1 | -0.821 | -0.901 | 40.797 | -7.892 | -7.892 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 624 | THR | 0 | -0.009 | -0.015 | 43.595 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 625 | ALA | 0 | -0.011 | -0.003 | 44.352 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 626 | ILE | 0 | -0.076 | -0.054 | 38.664 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 627 | ASP | -1 | -0.972 | -0.979 | 40.813 | -7.268 | -7.268 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 628 | GLY | 0 | 0.056 | 0.038 | 42.968 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 629 | ILE | 0 | -0.039 | -0.037 | 38.870 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 630 | GLU | -1 | -0.974 | -0.970 | 42.318 | -7.250 | -7.250 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 631 | PHE | 0 | -0.026 | -0.008 | 43.474 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 632 | ILE | 0 | -0.133 | -0.057 | 42.156 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |