FMODB ID: 2JG5R
Calculation Name: 2RFO-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2RFO
Chain ID: A
UniProt ID: P34077
Base Structure: X-ray
Registration Date: 2023-06-26
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 | OptHSide |
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 | 612 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12081051.990559 |
---|---|
FMO2-HF: Nuclear repulsion | 11835393.311702 |
FMO2-HF: Total energy | -245658.678858 |
FMO2-MP2: Total energy | -246380.979038 |
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:204:GLU)
Summations of interaction energy for
fragment #1(A:204:GLU)
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. |
27.193 | 30.091 | 5.243 | -3.904 | -4.236 | 0.045 |
Interaction energy analysis for fragmet #1(A:204:GLU)
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 | 206 | ASN | 0 | 0.098 | 0.059 | 1.969 | -22.380 | -19.641 | 5.244 | -3.895 | -4.088 | 0.045 |
4 | A | 207 | ILE | 0 | 0.011 | 0.017 | 4.988 | -5.467 | -5.308 | -0.001 | -0.009 | -0.148 | 0.000 |
5 | A | 208 | LEU | 0 | -0.056 | -0.035 | 7.003 | -3.945 | -3.945 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 209 | ARG | 1 | 0.881 | 0.917 | 6.241 | -26.393 | -26.393 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 210 | GLU | -1 | -0.870 | -0.927 | 7.951 | 23.531 | 23.531 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 211 | LYS | 1 | 0.858 | 0.919 | 9.932 | -20.782 | -20.782 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 212 | PHE | 0 | -0.055 | -0.021 | 10.638 | -1.353 | -1.353 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 213 | GLU | -1 | -0.834 | -0.917 | 10.196 | 26.215 | 26.215 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 214 | ASN | 0 | -0.036 | -0.012 | 13.406 | -1.978 | -1.978 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 215 | TYR | 0 | -0.038 | -0.047 | 15.523 | -1.095 | -1.095 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 216 | ALA | 0 | 0.048 | 0.031 | 15.965 | -0.963 | -0.963 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 217 | ARG | 1 | 0.912 | 0.945 | 14.109 | -20.203 | -20.203 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 218 | ILE | 0 | 0.019 | 0.022 | 19.291 | -0.850 | -0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 219 | VAL | 0 | 0.005 | 0.000 | 20.978 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 220 | PHE | 0 | 0.019 | 0.024 | 21.513 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 221 | GLN | 0 | -0.044 | -0.027 | 22.614 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 222 | PHE | 0 | -0.003 | -0.002 | 25.371 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 223 | ASN | 0 | 0.001 | -0.034 | 24.907 | -0.954 | -0.954 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 224 | ASN | 0 | 0.028 | 0.020 | 25.886 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 225 | SER | 0 | -0.003 | 0.017 | 29.270 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 226 | ARG | 1 | 0.818 | 0.895 | 28.938 | -10.593 | -10.593 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 227 | GLN | 0 | 0.009 | 0.008 | 31.013 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 228 | ALA | 0 | -0.050 | -0.012 | 33.465 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 229 | ASN | 0 | -0.063 | -0.028 | 35.199 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 230 | GLY | 0 | -0.001 | 0.000 | 34.740 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 231 | ASN | 0 | -0.040 | -0.047 | 35.056 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 232 | PHE | 0 | -0.009 | 0.006 | 25.285 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 233 | ASP | -1 | -0.759 | -0.862 | 30.748 | 9.641 | 9.641 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 234 | ILE | 0 | 0.039 | 0.014 | 24.630 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 235 | ALA | 0 | 0.023 | 0.004 | 26.544 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 236 | ASN | 0 | -0.094 | -0.070 | 27.761 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 237 | GLU | -1 | -0.863 | -0.915 | 23.795 | 12.385 | 12.385 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 238 | PHE | 0 | 0.000 | -0.010 | 19.827 | 0.560 | 0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 239 | ILE | 0 | -0.051 | -0.024 | 23.692 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 240 | SER | 0 | -0.032 | -0.004 | 25.062 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 241 | ILE | 0 | 0.048 | 0.021 | 18.468 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 242 | LEU | 0 | -0.050 | -0.040 | 20.136 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 243 | SER | 0 | -0.127 | -0.062 | 22.239 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 244 | SER | 0 | 0.011 | 0.017 | 20.887 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 245 | ALA | 0 | -0.030 | 0.006 | 18.358 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 246 | ASN | 0 | 0.013 | -0.001 | 17.839 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 247 | GLY | 0 | 0.051 | 0.025 | 18.830 | 0.667 | 0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 248 | THR | 0 | -0.010 | -0.019 | 20.463 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 249 | ARG | 1 | 0.929 | 0.968 | 19.596 | -13.003 | -13.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 250 | ASN | 0 | 0.080 | 0.032 | 17.054 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 251 | ALA | 0 | 0.022 | 0.028 | 21.370 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 252 | GLN | 0 | -0.045 | -0.032 | 24.679 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 253 | LEU | 0 | -0.011 | 0.011 | 20.314 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 254 | LEU | 0 | -0.013 | 0.002 | 24.545 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 255 | GLU | -1 | -0.805 | -0.874 | 26.219 | 9.147 | 9.147 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 256 | SER | 0 | 0.016 | -0.014 | 27.366 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 257 | TRP | 0 | 0.072 | 0.031 | 23.557 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 258 | LYS | 1 | 0.965 | 0.992 | 28.603 | -10.323 | -10.323 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 259 | ILE | 0 | -0.044 | -0.016 | 31.685 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 260 | LEU | 0 | 0.004 | -0.001 | 28.789 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 261 | GLU | -1 | -0.832 | -0.911 | 31.643 | 8.918 | 8.918 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 262 | SER | 0 | -0.044 | -0.007 | 33.490 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 263 | MET | 0 | -0.058 | -0.045 | 36.071 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 264 | LYS | 1 | 0.842 | 0.914 | 33.998 | -9.220 | -9.220 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 265 | SER | 0 | -0.055 | -0.025 | 37.333 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 266 | LYS | 1 | 0.845 | 0.941 | 40.509 | -7.844 | -7.844 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 267 | ASP | -1 | -0.918 | -0.972 | 42.060 | 6.845 | 6.845 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 268 | ILE | 0 | -0.062 | -0.031 | 38.463 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 269 | ASN | 0 | 0.042 | 0.043 | 42.692 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 270 | ILE | 0 | 0.024 | -0.005 | 40.022 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 271 | VAL | 0 | 0.074 | 0.046 | 42.272 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 272 | GLU | -1 | -0.825 | -0.925 | 44.648 | 6.478 | 6.478 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 273 | VAL | 0 | -0.036 | -0.016 | 40.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 274 | GLY | 0 | 0.047 | 0.029 | 40.025 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 275 | LYS | 1 | 0.871 | 0.918 | 41.041 | -6.391 | -6.391 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 276 | GLN | 0 | 0.049 | 0.039 | 43.126 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 277 | TYR | 0 | -0.052 | -0.031 | 34.482 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 278 | LEU | 0 | 0.016 | 0.000 | 38.331 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 279 | GLU | -1 | -0.867 | -0.913 | 41.153 | 6.727 | 6.727 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 280 | GLN | 0 | -0.013 | -0.026 | 41.421 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 281 | GLN | 0 | -0.045 | -0.012 | 35.823 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 282 | PHE | 0 | 0.021 | 0.001 | 39.988 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 283 | LEU | 0 | 0.034 | 0.027 | 42.544 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 284 | GLN | 0 | 0.032 | 0.018 | 37.464 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 285 | TYR | 0 | 0.008 | 0.018 | 39.139 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 286 | THR | 0 | -0.023 | -0.023 | 41.074 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 287 | ASP | -1 | -0.831 | -0.916 | 44.317 | 6.658 | 6.658 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 288 | ASN | 0 | -0.098 | -0.068 | 39.943 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 289 | LEU | 0 | -0.058 | -0.020 | 42.171 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 290 | TYR | 0 | 0.072 | 0.039 | 44.043 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 291 | LYS | 1 | 0.916 | 0.983 | 41.227 | -7.682 | -7.682 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 292 | LYS | 1 | 0.908 | 0.917 | 38.209 | -7.742 | -7.742 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 293 | ASN | 0 | -0.001 | 0.003 | 45.052 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 294 | MET | 0 | -0.034 | -0.021 | 47.012 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 295 | ASN | 0 | -0.030 | -0.008 | 50.547 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 296 | GLU | -1 | -0.874 | -0.915 | 53.826 | 5.341 | 5.341 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 297 | GLY | 0 | -0.009 | 0.002 | 57.449 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 298 | LEU | 0 | 0.014 | 0.002 | 56.561 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 299 | ALA | 0 | 0.043 | 0.022 | 52.037 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 300 | THR | 0 | 0.009 | 0.001 | 53.319 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 301 | ASN | 0 | 0.028 | -0.009 | 51.597 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 302 | VAL | 0 | 0.046 | 0.016 | 52.626 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 303 | ASN | 0 | -0.030 | -0.018 | 54.330 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 304 | LYS | 1 | 0.854 | 0.929 | 48.777 | -6.461 | -6.461 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 305 | ILE | 0 | 0.005 | 0.013 | 48.922 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 306 | LYS | 1 | 0.923 | 0.961 | 51.351 | -5.373 | -5.373 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 307 | SER | 0 | 0.000 | 0.026 | 50.593 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 308 | PHE | 0 | 0.037 | 0.011 | 44.877 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 309 | ILE | 0 | -0.057 | -0.031 | 48.888 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 310 | ASP | -1 | -0.853 | -0.920 | 51.376 | 5.663 | 5.663 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 311 | THR | 0 | 0.001 | 0.001 | 48.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 312 | LYS | 1 | 0.901 | 0.963 | 40.864 | -7.303 | -7.303 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 313 | LEU | 0 | 0.021 | 0.009 | 43.400 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 314 | LYS | 1 | 0.884 | 0.947 | 47.392 | -6.441 | -6.441 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 315 | LYS | 1 | 0.801 | 0.914 | 50.564 | -5.750 | -5.750 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 316 | ALA | 0 | -0.015 | -0.027 | 49.798 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 317 | ASP | -1 | -0.797 | -0.867 | 50.886 | 5.759 | 5.759 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 318 | LYS | 1 | 0.937 | 0.960 | 53.843 | -5.345 | -5.345 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 319 | SER | 0 | -0.092 | -0.046 | 55.534 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 320 | TRP | 0 | 0.043 | -0.009 | 54.298 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 321 | LYS | 1 | 0.894 | 0.963 | 46.307 | -6.574 | -6.574 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 322 | ILE | 0 | -0.026 | -0.023 | 49.732 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 323 | SER | 0 | 0.045 | 0.019 | 53.425 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 324 | ASN | 0 | -0.033 | -0.023 | 56.936 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 325 | LEU | 0 | -0.062 | -0.004 | 54.954 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 326 | THR | 0 | 0.004 | -0.006 | 59.204 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 327 | VAL | 0 | -0.047 | -0.025 | 60.011 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 328 | ILE | 0 | 0.016 | 0.009 | 62.564 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 329 | ASN | 0 | -0.006 | -0.011 | 63.645 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 330 | GLY | 0 | 0.021 | 0.010 | 61.795 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 331 | VAL | 0 | 0.013 | 0.003 | 58.082 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 332 | PRO | 0 | 0.041 | 0.033 | 55.959 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 333 | ILE | 0 | 0.015 | 0.006 | 57.422 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 334 | TRP | 0 | 0.064 | 0.021 | 58.097 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 335 | ALA | 0 | 0.024 | 0.016 | 53.569 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 336 | LEU | 0 | -0.039 | -0.024 | 53.561 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 337 | ILE | 0 | -0.011 | -0.004 | 54.566 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 338 | PHE | 0 | 0.014 | -0.005 | 48.549 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 339 | TYR | 0 | 0.030 | -0.023 | 47.034 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 340 | LEU | 0 | -0.021 | 0.002 | 49.858 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 341 | LEU | 0 | 0.010 | 0.004 | 51.269 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 342 | ARG | 1 | 0.780 | 0.890 | 41.654 | -7.120 | -7.120 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 343 | ALA | 0 | -0.038 | -0.018 | 46.496 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 344 | GLY | 0 | 0.091 | 0.051 | 47.679 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 345 | LEU | 0 | -0.084 | -0.023 | 49.451 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 346 | ILE | 0 | 0.066 | 0.014 | 52.656 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 347 | LYS | 1 | 0.955 | 0.981 | 55.190 | -5.750 | -5.750 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 348 | GLU | -1 | -0.775 | -0.902 | 54.909 | 5.729 | 5.729 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 349 | ALA | 0 | 0.000 | 0.010 | 55.414 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 350 | LEU | 0 | -0.023 | -0.019 | 57.457 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 351 | GLN | 0 | -0.026 | -0.018 | 60.552 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 352 | VAL | 0 | 0.038 | 0.031 | 58.559 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 353 | LEU | 0 | -0.018 | -0.003 | 61.540 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 354 | VAL | 0 | -0.057 | -0.033 | 63.158 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 355 | GLU | -1 | -0.916 | -0.972 | 63.620 | 4.961 | 4.961 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 356 | ASN | 0 | -0.046 | -0.022 | 63.551 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 357 | LYS | 1 | 1.021 | 1.006 | 66.733 | -4.443 | -4.443 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 358 | ALA | 0 | -0.074 | -0.032 | 69.296 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 359 | ASN | 0 | -0.011 | -0.005 | 67.274 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 360 | ILE | 0 | -0.029 | 0.015 | 64.174 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 361 | LYS | 1 | 0.906 | 0.920 | 68.305 | -4.421 | -4.421 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 362 | LYS | 1 | 1.003 | 1.003 | 68.781 | -4.278 | -4.278 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 363 | VAL | 0 | 0.022 | 0.002 | 70.417 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 364 | GLU | -1 | -0.790 | -0.845 | 66.410 | 4.736 | 4.736 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 365 | GLN | 0 | -0.079 | -0.052 | 67.673 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 366 | SER | 0 | 0.041 | 0.026 | 68.949 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 367 | PHE | 0 | 0.082 | 0.040 | 59.467 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 368 | LEU | 0 | -0.024 | -0.017 | 64.566 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 369 | THR | 0 | -0.072 | -0.044 | 65.653 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 370 | TYR | 0 | -0.023 | -0.009 | 60.594 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 371 | PHE | 0 | 0.019 | 0.017 | 57.179 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 372 | LYS | 1 | 0.957 | 0.968 | 61.351 | -4.665 | -4.665 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 373 | ALA | 0 | 0.047 | 0.030 | 62.710 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 374 | TYR | 0 | 0.021 | 0.012 | 53.564 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 375 | ALA | 0 | -0.020 | -0.016 | 58.199 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 376 | SER | 0 | -0.066 | -0.030 | 58.983 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 377 | SER | 0 | 0.025 | 0.031 | 60.041 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 378 | LYS | 1 | 0.888 | 0.916 | 54.478 | -5.673 | -5.673 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 379 | ASP | -1 | -0.855 | -0.928 | 53.841 | 5.957 | 5.957 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 380 | HIS | 0 | -0.027 | -0.008 | 51.564 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 381 | GLY | 0 | 0.008 | -0.007 | 56.708 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 382 | LEU | 0 | -0.013 | 0.013 | 60.186 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 383 | PRO | 0 | -0.047 | -0.018 | 62.300 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 384 | VAL | 0 | 0.051 | 0.020 | 65.987 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 385 | GLU | -1 | -0.931 | -0.960 | 67.690 | 4.460 | 4.460 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 386 | TYR | 0 | -0.076 | -0.036 | 67.680 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 387 | SER | 0 | 0.087 | 0.030 | 62.334 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 388 | THR | 0 | 0.049 | 0.022 | 64.568 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 389 | LYS | 1 | 0.871 | 0.919 | 67.026 | -4.428 | -4.428 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 390 | LEU | 0 | 0.049 | 0.036 | 61.936 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 391 | HIS | 1 | 0.925 | 0.961 | 59.584 | -5.164 | -5.164 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 392 | THR | 0 | -0.011 | 0.000 | 64.379 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 393 | GLU | -1 | -0.831 | -0.916 | 67.090 | 4.563 | 4.563 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 394 | TYR | 0 | 0.070 | 0.016 | 57.449 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 395 | ASN | 0 | -0.017 | -0.027 | 62.548 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 396 | GLN | 0 | -0.032 | 0.001 | 64.495 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 397 | HIS | 0 | -0.016 | 0.007 | 66.511 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 398 | ILE | 0 | -0.130 | -0.044 | 60.870 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 399 | LYS | 1 | 0.851 | 0.928 | 59.327 | -5.104 | -5.104 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 400 | SER | 0 | -0.021 | -0.007 | 60.350 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 401 | SER | 0 | -0.002 | 0.003 | 61.802 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 402 | LEU | 0 | 0.004 | 0.006 | 60.630 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 403 | ASP | -1 | -0.867 | -0.942 | 61.129 | 4.913 | 4.913 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 404 | GLY | 0 | -0.053 | -0.021 | 61.590 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 405 | ASP | -1 | -0.767 | -0.904 | 57.726 | 5.509 | 5.509 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 406 | PRO | 0 | 0.029 | 0.011 | 53.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 407 | TYR | 0 | 0.057 | 0.025 | 50.479 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 408 | ARG | 1 | 0.935 | 0.998 | 55.410 | -4.967 | -4.967 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 409 | LEU | 0 | -0.010 | 0.009 | 55.199 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 410 | ALA | 0 | 0.004 | -0.003 | 52.429 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 411 | VAL | 0 | -0.008 | -0.002 | 54.373 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 412 | TYR | 0 | -0.064 | -0.081 | 56.240 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 413 | LYS | 1 | 0.748 | 0.863 | 53.540 | -5.728 | -5.728 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 414 | LEU | 0 | 0.006 | -0.001 | 50.371 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 415 | ILE | 0 | -0.023 | -0.006 | 54.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 416 | GLY | 0 | 0.014 | -0.014 | 57.023 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 417 | ARG | 1 | 0.852 | 0.934 | 52.263 | -5.954 | -5.954 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 418 | CYS | 0 | -0.099 | -0.020 | 56.325 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 419 | ASP | -1 | -0.774 | -0.924 | 56.533 | 5.372 | 5.372 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 420 | LEU | 0 | 0.054 | 0.057 | 52.609 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 421 | SER | 0 | 0.033 | 0.027 | 52.660 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 422 | ARG | 1 | 0.945 | 0.963 | 52.568 | -5.670 | -5.670 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 423 | LYS | 1 | 0.912 | 0.995 | 48.504 | -6.209 | -6.209 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 424 | ASN | 0 | -0.033 | -0.023 | 47.869 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 425 | ILE | 0 | 0.046 | 0.014 | 48.974 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 426 | PRO | 0 | -0.043 | -0.020 | 49.630 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 427 | ALA | 0 | 0.021 | 0.003 | 49.894 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 428 | VAL | 0 | -0.035 | -0.027 | 48.926 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 429 | THR | 0 | 0.023 | 0.015 | 43.810 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 430 | LEU | 0 | -0.043 | -0.015 | 43.558 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 431 | SER | 0 | -0.004 | -0.012 | 39.138 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 432 | ILE | 0 | 0.044 | 0.036 | 35.058 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 433 | GLU | -1 | -0.787 | -0.903 | 36.814 | 8.256 | 8.256 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 434 | ASP | -1 | -0.827 | -0.888 | 39.465 | 7.001 | 7.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 435 | TRP | 0 | -0.016 | -0.032 | 40.080 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 436 | LEU | 0 | -0.013 | 0.002 | 37.515 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 437 | TRP | 0 | -0.017 | -0.030 | 41.619 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 438 | MET | 0 | -0.067 | -0.015 | 44.084 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 439 | HIS | 0 | 0.036 | 0.026 | 43.776 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 440 | LEU | 0 | -0.006 | -0.010 | 41.510 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 441 | MET | 0 | -0.058 | -0.019 | 45.893 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 442 | LEU | 0 | -0.060 | -0.035 | 48.949 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 443 | ILE | 0 | -0.024 | 0.017 | 45.401 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 444 | LYS | 1 | 0.828 | 0.930 | 49.998 | -5.476 | -5.476 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 445 | GLU | -1 | -0.837 | -0.927 | 47.441 | 6.544 | 6.544 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 446 | LYS | 1 | 0.895 | 0.939 | 51.748 | -6.003 | -6.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 447 | ASP | -1 | -0.849 | -0.937 | 54.686 | 5.388 | 5.388 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 448 | ALA | 0 | -0.049 | -0.012 | 54.644 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 449 | GLU | -1 | -0.848 | -0.912 | 55.744 | 5.473 | 5.473 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 450 | ASN | 0 | -0.066 | -0.031 | 57.558 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 451 | ASP | -1 | -0.802 | -0.909 | 60.400 | 5.103 | 5.103 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 452 | PRO | 0 | -0.031 | 0.001 | 61.390 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 453 | VAL | 0 | -0.010 | -0.022 | 61.339 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 454 | TYR | 0 | 0.012 | 0.005 | 57.403 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 455 | GLU | -1 | -0.897 | -0.954 | 57.274 | 5.442 | 5.442 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 456 | ARG | 1 | 0.798 | 0.896 | 54.550 | -5.416 | -5.416 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 457 | TYR | 0 | -0.030 | -0.046 | 46.224 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 458 | SER | 0 | 0.036 | -0.009 | 48.508 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 459 | LEU | 0 | 0.060 | 0.013 | 42.107 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 460 | GLU | -1 | -0.886 | -0.925 | 43.886 | 6.905 | 6.905 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 461 | ASP | -1 | -0.828 | -0.877 | 43.978 | 6.453 | 6.453 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 462 | PHE | 0 | -0.029 | -0.022 | 41.156 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 463 | GLN | 0 | -0.039 | -0.049 | 39.726 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 464 | ASN | 0 | -0.017 | -0.032 | 39.772 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 465 | ILE | 0 | -0.043 | 0.000 | 41.254 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 466 | ILE | 0 | -0.021 | 0.001 | 36.192 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 467 | ILE | 0 | -0.005 | -0.005 | 36.175 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 468 | SER | 0 | -0.079 | -0.044 | 37.042 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 469 | TYR | 0 | -0.050 | -0.023 | 37.558 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 470 | GLY | 0 | 0.053 | 0.036 | 33.993 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 471 | PRO | 0 | 0.027 | -0.009 | 29.105 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 472 | SER | 0 | -0.035 | -0.015 | 30.997 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 473 | ARG | 1 | 0.928 | 0.979 | 31.920 | -7.709 | -7.709 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 474 | PHE | 0 | -0.011 | -0.008 | 32.880 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 475 | SER | 0 | 0.015 | 0.021 | 29.646 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 476 | ASN | 0 | -0.028 | -0.035 | 27.070 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 477 | TYR | 0 | 0.024 | -0.016 | 28.668 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 478 | TYR | 0 | 0.013 | 0.025 | 29.389 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 479 | LEU | 0 | 0.025 | 0.015 | 25.530 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 480 | GLN | 0 | 0.078 | 0.035 | 29.426 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 481 | THR | 0 | -0.007 | -0.012 | 32.057 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 482 | LEU | 0 | -0.038 | 0.006 | 30.244 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 483 | LEU | 0 | -0.010 | -0.002 | 29.648 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 484 | LEU | 0 | -0.047 | -0.021 | 33.793 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 485 | SER | 0 | -0.058 | -0.042 | 36.751 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 486 | GLY | 0 | 0.059 | 0.032 | 37.294 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 487 | LEU | 0 | -0.029 | -0.003 | 34.872 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 488 | TYR | 0 | 0.053 | 0.012 | 32.770 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 489 | GLY | 0 | 0.060 | 0.031 | 30.998 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 490 | LEU | 0 | 0.047 | 0.009 | 30.099 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 491 | ALA | 0 | -0.005 | 0.007 | 29.405 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 492 | ILE | 0 | 0.008 | -0.007 | 25.727 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 493 | ASP | -1 | -0.836 | -0.912 | 25.210 | 11.006 | 11.006 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 494 | TYR | 0 | 0.018 | -0.005 | 25.214 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 495 | THR | 0 | -0.007 | 0.011 | 21.913 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 496 | TYR | 0 | 0.047 | 0.012 | 20.307 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 497 | THR | 0 | -0.169 | -0.083 | 20.057 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 498 | PHE | 0 | -0.043 | -0.033 | 18.637 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 499 | SER | 0 | -0.013 | -0.034 | 16.507 | 1.167 | 1.167 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 500 | GLU | -1 | -0.800 | -0.898 | 16.457 | 15.112 | 15.112 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 501 | MET | 0 | 0.013 | 0.022 | 13.530 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 502 | ASP | -1 | -0.794 | -0.851 | 17.183 | 15.923 | 15.923 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 503 | ALA | 0 | 0.025 | 0.021 | 19.930 | -0.650 | -0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 504 | VAL | 0 | 0.010 | 0.003 | 19.601 | -0.626 | -0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 505 | HIS | 0 | 0.020 | 0.024 | 18.197 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 506 | LEU | 0 | -0.021 | 0.010 | 22.679 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 507 | ALA | 0 | -0.001 | -0.006 | 25.163 | -0.551 | -0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 508 | ILE | 0 | 0.032 | 0.019 | 22.782 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 509 | GLY | 0 | 0.028 | 0.007 | 26.689 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 510 | LEU | 0 | -0.029 | -0.021 | 28.615 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 511 | ALA | 0 | 0.021 | 0.020 | 29.861 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 512 | SER | 0 | -0.070 | -0.043 | 30.465 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 513 | LEU | 0 | -0.028 | -0.012 | 32.354 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 514 | LYS | 1 | 0.765 | 0.879 | 34.256 | -9.153 | -9.153 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 515 | LEU | 0 | 0.025 | 0.023 | 34.197 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 516 | PHE | 0 | -0.063 | -0.034 | 29.184 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 517 | LYS | 1 | 0.966 | 1.000 | 35.138 | -7.956 | -7.956 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 529 | LYS | 1 | 0.908 | 0.937 | 18.904 | -13.940 | -13.940 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 530 | ARG | 1 | 0.854 | 0.910 | 23.293 | -10.236 | -10.236 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 531 | ASP | -1 | -0.860 | -0.917 | 26.667 | 9.835 | 9.835 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 532 | ILE | 0 | 0.001 | -0.003 | 27.025 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 533 | ARG | 1 | 0.908 | 0.946 | 29.371 | -9.694 | -9.694 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 534 | PHE | 0 | 0.039 | 0.016 | 26.725 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 535 | ALA | 0 | 0.111 | 0.054 | 27.364 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 536 | ASN | 0 | 0.005 | -0.006 | 26.741 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 537 | ILE | 0 | -0.036 | -0.002 | 23.675 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 538 | LEU | 0 | -0.003 | -0.001 | 22.744 | 0.724 | 0.724 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 539 | ALA | 0 | 0.036 | 0.017 | 22.005 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 540 | ASN | 0 | -0.047 | -0.043 | 21.625 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 541 | TYR | 0 | 0.011 | 0.017 | 15.566 | 0.995 | 0.995 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 542 | THR | 0 | 0.020 | -0.007 | 17.302 | 0.978 | 0.978 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 543 | LYS | 1 | 0.838 | 0.921 | 17.874 | -12.337 | -12.337 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 544 | SER | 0 | -0.038 | -0.016 | 13.462 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 545 | PHE | 0 | -0.005 | -0.002 | 12.979 | 1.277 | 1.277 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 546 | ARG | 1 | 0.790 | 0.884 | 14.387 | -13.423 | -13.423 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 547 | TYR | 0 | 0.024 | -0.001 | 15.439 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 548 | SER | 0 | -0.014 | -0.019 | 11.905 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 549 | ASP | -1 | -0.843 | -0.901 | 12.497 | 24.146 | 24.146 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 550 | PRO | 0 | 0.083 | 0.052 | 15.650 | -0.711 | -0.711 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 551 | ARG | 1 | 1.000 | 0.983 | 19.226 | -14.991 | -14.991 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 552 | VAL | 0 | -0.004 | 0.003 | 15.662 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 553 | ALA | 0 | 0.017 | 0.007 | 18.756 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 554 | VAL | 0 | 0.024 | 0.016 | 20.233 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 555 | GLU | -1 | -0.775 | -0.856 | 21.298 | 12.067 | 12.067 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 556 | TYR | 0 | -0.022 | -0.044 | 17.986 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 557 | LEU | 0 | 0.021 | 0.011 | 22.922 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 558 | VAL | 0 | 0.058 | 0.036 | 25.565 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 559 | LEU | 0 | -0.032 | -0.013 | 24.312 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 560 | ILE | 0 | -0.007 | 0.005 | 27.382 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 561 | THR | 0 | -0.009 | -0.014 | 29.939 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 562 | LEU | 0 | -0.036 | -0.009 | 29.161 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 563 | ASN | 0 | -0.093 | -0.034 | 32.728 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 564 | GLU | -1 | -0.841 | -0.904 | 35.024 | 7.994 | 7.994 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 565 | GLY | 0 | 0.007 | 0.004 | 37.780 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 566 | PRO | 0 | 0.027 | -0.005 | 38.350 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 567 | THR | 0 | -0.008 | 0.007 | 37.229 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 568 | ASP | -1 | -0.891 | -0.947 | 33.692 | 9.234 | 9.234 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 569 | VAL | 0 | -0.002 | 0.002 | 33.954 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 570 | GLU | -1 | -0.789 | -0.874 | 34.611 | 8.727 | 8.727 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 571 | LEU | 0 | -0.001 | -0.003 | 31.999 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 572 | CYS | 0 | -0.088 | -0.030 | 29.444 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 573 | HIS | 0 | -0.010 | -0.017 | 30.266 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 574 | GLU | -1 | -0.871 | -0.932 | 31.729 | 9.453 | 9.453 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 575 | ALA | 0 | -0.016 | 0.004 | 26.853 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 576 | LEU | 0 | -0.017 | -0.025 | 26.465 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 577 | ARG | 1 | 0.791 | 0.859 | 27.910 | -8.669 | -8.669 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 578 | GLU | -1 | -0.848 | -0.912 | 25.397 | 12.000 | 12.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 579 | LEU | 0 | -0.062 | -0.021 | 21.567 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 580 | VAL | 0 | -0.008 | 0.015 | 24.495 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 581 | LEU | 0 | -0.007 | 0.001 | 26.474 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 582 | GLU | -1 | -0.869 | -0.919 | 23.495 | 12.454 | 12.454 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 583 | THR | 0 | -0.076 | -0.061 | 20.324 | 0.572 | 0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 584 | LYS | 1 | 0.853 | 0.933 | 22.264 | -10.920 | -10.920 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 585 | GLU | -1 | -0.846 | -0.907 | 20.185 | 14.972 | 14.972 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 586 | PHE | 0 | 0.009 | -0.013 | 23.740 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 587 | THR | 0 | -0.013 | -0.004 | 25.240 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 588 | VAL | 0 | -0.011 | 0.005 | 21.438 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 589 | LEU | 0 | -0.048 | -0.030 | 23.226 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 590 | LEU | 0 | -0.026 | -0.023 | 26.374 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 591 | GLY | 0 | 0.041 | 0.046 | 28.965 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 592 | LYS | 1 | 0.855 | 0.907 | 28.636 | -10.559 | -10.559 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 593 | ILE | 0 | -0.065 | -0.050 | 31.651 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 594 | GLY | 0 | 0.163 | 0.083 | 34.461 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 595 | ARG | 1 | 0.873 | 0.938 | 33.285 | -9.202 | -9.202 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 596 | ASP | -1 | -0.875 | -0.924 | 39.742 | 7.281 | 7.281 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 597 | GLY | 0 | -0.013 | -0.008 | 39.261 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 598 | ALA | 0 | 0.016 | 0.003 | 37.884 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 599 | ARG | 1 | 0.881 | 0.961 | 34.293 | -8.558 | -8.558 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 600 | ILE | 0 | -0.044 | -0.019 | 29.215 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 601 | PRO | 0 | -0.020 | -0.020 | 31.322 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 602 | GLY | 0 | 0.068 | 0.046 | 28.180 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 603 | VAL | 0 | -0.023 | -0.026 | 23.672 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 604 | ILE | 0 | -0.002 | -0.003 | 26.787 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 605 | GLU | -1 | -0.834 | -0.907 | 28.886 | 8.970 | 8.970 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 606 | GLU | -1 | -0.924 | -0.953 | 27.270 | 11.276 | 11.276 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 607 | ARG | 1 | 0.750 | 0.834 | 25.417 | -11.810 | -11.810 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 608 | GLN | 0 | 0.017 | -0.006 | 30.503 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 609 | PRO | 0 | -0.027 | -0.011 | 33.645 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 610 | LEU | 0 | -0.065 | -0.018 | 29.622 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 611 | LEU | 0 | 0.019 | 0.022 | 30.701 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 612 | HIS | 0 | -0.060 | -0.040 | 34.077 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 613 | VAL | 0 | 0.046 | 0.022 | 36.790 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 614 | ARG | 1 | 0.853 | 0.924 | 38.779 | -7.248 | -7.248 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 615 | ASP | -1 | -0.743 | -0.858 | 39.964 | 7.574 | 7.574 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 616 | GLU | -1 | -0.988 | -0.994 | 40.875 | 7.259 | 7.259 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 617 | LYS | 1 | 0.787 | 0.877 | 37.480 | -8.287 | -8.287 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 618 | GLU | -1 | -0.795 | -0.883 | 39.520 | 7.444 | 7.444 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 619 | PHE | 0 | 0.005 | 0.009 | 32.249 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 620 | LEU | 0 | -0.055 | -0.053 | 32.793 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 621 | HIS | 0 | 0.070 | 0.050 | 35.561 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 622 | THR | 0 | 0.010 | -0.011 | 38.279 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 623 | ILE | 0 | -0.078 | -0.020 | 31.101 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 624 | THR | 0 | 0.013 | -0.009 | 34.180 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 625 | GLU | -1 | -0.868 | -0.928 | 35.210 | 7.821 | 7.821 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 626 | GLN | 0 | -0.098 | -0.050 | 34.700 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 627 | ALA | 0 | 0.007 | -0.013 | 31.610 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 628 | ALA | 0 | 0.017 | 0.020 | 33.251 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 629 | ARG | 1 | 0.985 | 0.991 | 35.647 | -8.028 | -8.028 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 630 | ARG | 1 | 0.908 | 0.954 | 32.238 | -9.154 | -9.154 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 631 | ALA | 0 | -0.060 | -0.037 | 32.811 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 632 | ASP | -1 | -0.791 | -0.862 | 33.782 | 8.326 | 8.326 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 633 | GLU | -1 | -0.953 | -0.965 | 36.059 | 8.397 | 8.397 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 634 | ASP | -1 | -0.863 | -0.916 | 30.635 | 10.161 | 10.161 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 635 | GLY | 0 | 0.009 | 0.015 | 33.657 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 636 | ARG | 1 | 0.667 | 0.811 | 28.552 | -10.245 | -10.245 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 637 | ILE | 0 | 0.062 | 0.023 | 32.510 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 638 | TYR | 0 | 0.017 | -0.002 | 31.456 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 639 | ASP | -1 | -0.765 | -0.865 | 29.024 | 11.111 | 11.111 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 640 | SER | 0 | -0.010 | -0.027 | 31.729 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 641 | ILE | 0 | -0.020 | -0.003 | 35.354 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 642 | LEU | 0 | -0.048 | -0.017 | 30.561 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 643 | LEU | 0 | -0.011 | -0.029 | 31.331 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 644 | TYR | 0 | 0.007 | -0.033 | 34.753 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 645 | GLN | 0 | -0.047 | -0.023 | 35.410 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 646 | LEU | 0 | -0.059 | -0.024 | 32.111 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 647 | ALA | 0 | -0.037 | -0.016 | 36.861 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 648 | GLU | -1 | -0.874 | -0.927 | 39.487 | 7.602 | 7.602 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 649 | GLU | -1 | -0.880 | -0.927 | 41.666 | 6.908 | 6.908 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 650 | TYR | 0 | -0.077 | -0.072 | 41.958 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 651 | ASP | -1 | -0.741 | -0.852 | 44.584 | 6.576 | 6.576 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 652 | ILE | 0 | 0.039 | 0.025 | 42.059 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 653 | VAL | 0 | -0.013 | 0.004 | 39.732 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 654 | ILE | 0 | -0.020 | -0.010 | 41.922 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 655 | THR | 0 | -0.014 | -0.002 | 44.431 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 656 | LEU | 0 | -0.036 | -0.009 | 39.038 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 657 | VAL | 0 | -0.030 | -0.030 | 39.634 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 658 | ASN | 0 | -0.004 | -0.013 | 41.534 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 659 | SER | 0 | 0.019 | 0.013 | 42.753 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 660 | LEU | 0 | -0.034 | -0.020 | 36.240 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 661 | LEU | 0 | 0.000 | -0.004 | 40.512 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 662 | SER | 0 | -0.027 | -0.012 | 42.049 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 663 | ASP | -1 | -0.832 | -0.912 | 41.839 | 7.259 | 7.259 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 664 | THR | 0 | -0.090 | -0.055 | 38.220 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 665 | LEU | 0 | -0.019 | 0.004 | 41.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 666 | SER | 0 | -0.017 | -0.006 | 44.473 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 667 | ALA | 0 | -0.065 | -0.047 | 43.020 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 668 | SER | 0 | -0.069 | -0.039 | 42.836 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 669 | ASP | -1 | -0.884 | -0.915 | 42.779 | 7.155 | 7.155 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 670 | LEU | 0 | -0.069 | -0.018 | 38.015 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 671 | ASP | -1 | -0.773 | -0.884 | 37.592 | 7.995 | 7.995 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 672 | GLN | 0 | -0.006 | -0.030 | 37.201 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 673 | PRO | 0 | 0.018 | 0.031 | 33.622 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 674 | LEU | 0 | -0.015 | 0.022 | 36.511 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 675 | VAL | 0 | -0.044 | -0.028 | 36.919 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 676 | GLY | 0 | -0.047 | -0.025 | 34.046 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 677 | PRO | 0 | -0.047 | -0.044 | 28.715 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 678 | ASP | -1 | -0.922 | -0.955 | 29.050 | 10.442 | 10.442 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 679 | ASP | -1 | -0.839 | -0.928 | 29.236 | 9.438 | 9.438 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 680 | ASN | 0 | 0.010 | 0.021 | 28.378 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 681 | SER | 0 | 0.037 | -0.007 | 30.888 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 682 | GLU | -1 | -0.889 | -0.926 | 30.876 | 10.024 | 10.024 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 683 | THR | 0 | -0.002 | 0.001 | 27.788 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 684 | ASN | 0 | 0.027 | 0.031 | 30.732 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 685 | PRO | 0 | 0.071 | 0.034 | 33.848 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 686 | VAL | 0 | 0.090 | 0.051 | 37.402 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 687 | LEU | 0 | -0.010 | -0.006 | 33.945 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 688 | LEU | 0 | -0.047 | -0.024 | 35.351 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 689 | ALA | 0 | 0.048 | 0.017 | 37.007 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 690 | ARG | 1 | 0.846 | 0.920 | 39.934 | -7.783 | -7.783 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 691 | ARG | 1 | 0.774 | 0.876 | 35.192 | -9.119 | -9.119 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 692 | MET | 0 | -0.013 | 0.002 | 38.695 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 693 | ALA | 0 | 0.051 | 0.031 | 41.177 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 694 | SER | 0 | -0.032 | -0.007 | 41.876 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 695 | ILE | 0 | -0.064 | -0.041 | 38.727 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 696 | TYR | 0 | 0.023 | 0.001 | 40.413 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 697 | PHE | 0 | -0.005 | -0.011 | 45.115 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 698 | ASP | -1 | -0.880 | -0.929 | 47.715 | 6.518 | 6.518 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 699 | ASN | 0 | -0.043 | -0.022 | 45.013 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 700 | ALA | 0 | 0.009 | -0.005 | 48.567 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 701 | GLY | 0 | -0.015 | -0.004 | 50.045 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 702 | ILE | 0 | 0.080 | 0.046 | 43.620 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 703 | SER | 0 | 0.007 | -0.001 | 47.837 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 704 | ARG | 1 | 0.842 | 0.926 | 50.056 | -6.261 | -6.261 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 705 | GLN | 0 | -0.068 | -0.042 | 48.013 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 706 | ILE | 0 | 0.000 | 0.023 | 46.504 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 707 | HIS | 0 | -0.061 | -0.053 | 50.259 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 708 | VAL | 0 | -0.026 | -0.021 | 52.435 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 709 | LYS | 1 | 0.999 | 0.998 | 52.064 | -6.079 | -6.079 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 710 | ASN | 0 | -0.043 | -0.057 | 47.534 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 711 | LYS | 1 | 0.905 | 0.957 | 49.288 | -6.168 | -6.168 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 712 | GLU | -1 | -0.923 | -0.964 | 50.659 | 5.787 | 5.787 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 713 | ILE | 0 | -0.043 | -0.023 | 48.841 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 714 | CYS | 0 | -0.002 | 0.012 | 45.421 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 715 | MET | 0 | 0.027 | 0.004 | 47.532 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 716 | LEU | 0 | -0.011 | 0.004 | 49.761 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 717 | LEU | 0 | -0.012 | -0.001 | 45.874 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 718 | LEU | 0 | -0.001 | 0.005 | 43.212 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 719 | ASN | 0 | -0.013 | -0.011 | 46.561 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 720 | ILE | 0 | 0.008 | 0.006 | 47.688 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 721 | SER | 0 | 0.031 | 0.003 | 43.551 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 722 | SER | 0 | -0.035 | -0.017 | 45.383 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 723 | ILE | 0 | -0.021 | -0.008 | 47.171 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 724 | ARG | 1 | 0.735 | 0.834 | 42.390 | -7.408 | -7.408 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 725 | GLU | -1 | -0.824 | -0.906 | 41.778 | 7.793 | 7.793 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 726 | LEU | 0 | -0.097 | -0.036 | 44.780 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 727 | TYR | 0 | 0.037 | 0.004 | 47.369 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 728 | PHE | 0 | -0.054 | -0.028 | 43.982 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 729 | ASN | 0 | 0.034 | 0.023 | 42.885 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 730 | LYS | 1 | 0.853 | 0.907 | 46.754 | -6.442 | -6.442 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 731 | GLN | 0 | 0.000 | 0.003 | 50.463 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 732 | TRP | 0 | 0.090 | 0.038 | 50.478 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 733 | GLN | 0 | 0.008 | -0.013 | 54.846 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 734 | GLU | -1 | -0.862 | -0.930 | 53.365 | 5.788 | 5.788 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 735 | THR | 0 | 0.043 | 0.023 | 51.712 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 736 | LEU | 0 | -0.038 | -0.026 | 53.949 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 737 | SER | 0 | 0.016 | 0.006 | 57.117 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 738 | GLN | 0 | -0.013 | -0.015 | 52.813 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 739 | MET | 0 | 0.004 | 0.010 | 52.998 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 740 | GLU | -1 | -0.976 | -0.985 | 56.030 | 5.100 | 5.100 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 741 | LEU | 0 | -0.033 | -0.023 | 56.922 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 742 | LEU | 0 | -0.058 | -0.019 | 52.853 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 743 | ASP | -1 | -0.907 | -0.940 | 56.873 | 5.176 | 5.176 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 744 | LEU | 0 | -0.022 | -0.014 | 55.198 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 745 | LEU | 0 | 0.003 | -0.008 | 57.209 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 746 | PRO | 0 | -0.063 | 0.000 | 60.655 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 747 | PHE | 0 | 0.066 | 0.010 | 59.295 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 748 | SER | 0 | -0.016 | -0.002 | 65.149 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 749 | ASP | -1 | -0.872 | -0.935 | 68.832 | 4.493 | 4.493 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 750 | GLU | -1 | -0.841 | -0.914 | 70.028 | 4.506 | 4.506 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 751 | LEU | 0 | -0.063 | -0.027 | 71.092 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 752 | SER | 0 | -0.047 | -0.050 | 67.650 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 753 | ALA | 0 | 0.060 | 0.013 | 66.217 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 754 | ARG | 1 | 0.883 | 0.933 | 66.517 | -4.684 | -4.684 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 755 | LYS | 1 | 0.951 | 0.978 | 67.738 | -4.666 | -4.666 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 756 | LYS | 1 | 0.852 | 0.952 | 62.360 | -5.132 | -5.132 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 757 | ALA | 0 | 0.024 | -0.011 | 64.109 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 758 | GLN | 0 | -0.069 | -0.034 | 64.955 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 759 | ASP | -1 | -0.907 | -0.940 | 63.014 | 5.019 | 5.019 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 760 | PHE | 0 | -0.002 | -0.032 | 57.564 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 761 | SER | 0 | -0.014 | -0.007 | 59.536 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 762 | ASN | 0 | -0.039 | -0.016 | 61.293 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 763 | LEU | 0 | -0.011 | 0.006 | 56.508 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 764 | ASP | -1 | -0.796 | -0.885 | 51.995 | 6.243 | 6.243 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 765 | ASP | -1 | -0.900 | -0.970 | 50.726 | 6.294 | 6.294 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 766 | ASN | 0 | 0.000 | 0.007 | 47.410 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 767 | ILE | 0 | 0.061 | 0.033 | 49.560 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 768 | VAL | 0 | -0.086 | -0.009 | 52.202 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 769 | LYS | 1 | 0.929 | 0.949 | 45.873 | -6.990 | -6.990 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 770 | ASN | 0 | -0.070 | -0.068 | 47.175 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 771 | ILE | 0 | -0.014 | 0.009 | 50.681 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 772 | PRO | 0 | 0.016 | 0.009 | 51.315 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 773 | ASN | 0 | 0.032 | 0.009 | 48.489 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 774 | LEU | 0 | 0.045 | 0.040 | 51.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 775 | LEU | 0 | 0.008 | -0.009 | 53.630 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 776 | ILE | 0 | -0.054 | -0.038 | 51.459 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 777 | ILE | 0 | 0.078 | 0.071 | 49.015 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 778 | THR | 0 | -0.018 | -0.017 | 53.402 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 779 | LEU | 0 | -0.031 | -0.031 | 56.958 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 780 | SER | 0 | 0.064 | 0.037 | 53.790 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 781 | CYS | 0 | 0.065 | 0.057 | 54.393 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 782 | ILE | 0 | -0.068 | -0.036 | 56.508 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 783 | SER | 0 | -0.057 | -0.030 | 58.394 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 784 | ASN | 0 | 0.018 | 0.007 | 53.496 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 785 | MET | 0 | -0.078 | -0.010 | 57.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 786 | ILE | 0 | -0.073 | -0.030 | 60.058 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 787 | HIS | 0 | 0.006 | -0.003 | 60.161 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 788 | ILE | 0 | -0.033 | -0.025 | 62.409 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 789 | LEU | 0 | 0.033 | 0.029 | 64.046 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 790 | ASN | 0 | -0.059 | -0.019 | 64.849 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 800 | GLY | 0 | -0.007 | -0.016 | 73.233 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 801 | GLN | 0 | -0.009 | -0.005 | 69.890 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 802 | GLN | 0 | 0.010 | 0.010 | 68.217 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 803 | ILE | 0 | 0.049 | 0.023 | 66.964 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 804 | ASP | -1 | -0.888 | -0.943 | 68.558 | 4.504 | 4.504 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 805 | SER | 0 | 0.024 | 0.011 | 68.060 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 806 | LEU | 0 | 0.036 | 0.007 | 62.592 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 807 | LYS | 1 | 0.889 | 0.945 | 64.425 | -4.677 | -4.677 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 808 | ASN | 0 | -0.001 | -0.007 | 66.998 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 809 | VAL | 0 | 0.002 | 0.015 | 62.487 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 810 | ALA | 0 | 0.079 | 0.029 | 63.107 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 811 | ARG | 1 | 0.891 | 0.946 | 64.106 | -4.535 | -4.535 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 812 | GLN | 0 | 0.025 | -0.004 | 66.321 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 813 | CYS | 0 | 0.009 | 0.006 | 61.358 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 814 | MET | 0 | -0.030 | -0.014 | 60.351 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 815 | ILE | 0 | -0.035 | -0.013 | 64.375 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 816 | TYR | 0 | 0.008 | -0.002 | 59.202 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 817 | ALA | 0 | -0.003 | -0.009 | 60.546 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 818 | GLY | 0 | 0.002 | 0.021 | 62.038 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 819 | MET | 0 | -0.060 | -0.020 | 65.118 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 820 | ILE | 0 | -0.053 | -0.003 | 59.624 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 821 | GLN | 0 | 0.067 | 0.034 | 59.713 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 822 | TYR | 0 | 0.018 | 0.003 | 59.295 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 823 | ARG | 1 | 0.890 | 0.942 | 56.122 | -5.622 | -5.622 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 824 | MET | 0 | -0.007 | 0.018 | 55.435 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 825 | PRO | 0 | 0.028 | 0.020 | 51.555 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 826 | ARG | 1 | 0.882 | 0.931 | 53.376 | -5.973 | -5.973 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 827 | GLU | -1 | -0.840 | -0.920 | 52.315 | 6.060 | 6.060 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 828 | THR | 0 | 0.090 | 0.045 | 55.848 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 829 | TYR | 0 | -0.075 | -0.024 | 50.917 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 830 | SER | 0 | 0.100 | 0.032 | 56.645 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 831 | THR | 0 | -0.020 | -0.037 | 58.455 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 832 | LEU | 0 | -0.050 | -0.039 | 57.398 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 833 | ILE | 0 | -0.009 | 0.016 | 55.210 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 834 | ASN | 0 | -0.055 | -0.012 | 58.718 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 835 | ILE | 0 | -0.049 | -0.005 | 62.207 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |