FMODB ID: 49KGN
Calculation Name: 4XVI-A-Xray372
Preferred Name: DNA polymerase nu
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 4XVI
Chain ID: A
ChEMBL ID: CHEMBL2010628
UniProt ID: Q7Z5Q5
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 | 650 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14667808.232063 |
---|---|
FMO2-HF: Nuclear repulsion | 14411282.113153 |
FMO2-HF: Total energy | -256526.118909 |
FMO2-MP2: Total energy | -257272.979052 |
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:194:LYS)
Summations of interaction energy for
fragment #1(A:194:LYS)
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. |
26.864 | 33.632 | 0.533 | -2.838 | -4.46 | 0.001 |
Interaction energy analysis for fragmet #1(A:194:LYS)
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 | 196 | HIS | 0 | 0.028 | 0.006 | 2.872 | -0.531 | 4.854 | 0.368 | -2.367 | -3.386 | 0.000 |
4 | A | 197 | PHE | 0 | 0.012 | -0.001 | 2.825 | 3.555 | 4.703 | 0.168 | -0.411 | -0.905 | 0.001 |
5 | A | 198 | CYS | 0 | -0.008 | 0.013 | 4.281 | -1.913 | -1.887 | -0.001 | -0.017 | -0.007 | 0.000 |
6 | A | 199 | ASP | -1 | -0.762 | -0.848 | 7.131 | -16.899 | -16.899 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 200 | ILE | 0 | 0.024 | -0.004 | 9.911 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 201 | ARG | 1 | 0.862 | 0.903 | 12.904 | 17.028 | 17.028 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 202 | HIS | 0 | -0.027 | -0.021 | 10.750 | 0.889 | 0.889 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 203 | LEU | 0 | -0.044 | 0.010 | 11.332 | -0.784 | -0.784 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 204 | ASP | -1 | -0.762 | -0.865 | 13.814 | -17.853 | -17.853 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 205 | ASP | -1 | -0.841 | -0.947 | 16.898 | -14.661 | -14.661 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 206 | TRP | 0 | -0.028 | -0.025 | 14.060 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 207 | ALA | 0 | 0.035 | 0.014 | 14.468 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 208 | LYS | 1 | 0.807 | 0.918 | 16.178 | 15.899 | 15.899 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 209 | SER | 0 | -0.025 | -0.016 | 17.600 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 210 | GLN | 0 | -0.043 | -0.029 | 16.715 | 1.140 | 1.140 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 211 | LEU | 0 | -0.007 | 0.007 | 13.333 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 212 | ILE | 0 | -0.005 | -0.008 | 16.559 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 213 | GLU | -1 | -0.809 | -0.881 | 19.823 | -12.462 | -12.462 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 214 | MET | 0 | -0.008 | -0.006 | 12.725 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 215 | LEU | 0 | -0.049 | -0.031 | 15.967 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 216 | LYS | 1 | 0.782 | 0.884 | 19.155 | 12.941 | 12.941 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 217 | GLN | 0 | -0.094 | -0.053 | 20.673 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 218 | ALA | 0 | -0.029 | 0.012 | 18.620 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 219 | ALA | 0 | -0.017 | -0.005 | 19.292 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 220 | ALA | 0 | -0.019 | -0.026 | 19.319 | 0.767 | 0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 221 | LEU | 0 | 0.009 | 0.016 | 16.903 | -1.062 | -1.062 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 222 | VAL | 0 | -0.040 | -0.018 | 15.342 | 0.733 | 0.733 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 223 | ILE | 0 | 0.008 | 0.015 | 14.983 | -0.993 | -0.993 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 224 | THR | 0 | 0.030 | 0.008 | 13.978 | 0.762 | 0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 225 | VAL | 0 | -0.019 | -0.006 | 15.684 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 226 | MET | 0 | -0.021 | -0.005 | 10.075 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 227 | TYR | 0 | 0.026 | -0.001 | 15.574 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 228 | THR | 0 | 0.013 | -0.012 | 16.291 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 229 | ASP | -1 | -0.841 | -0.867 | 17.562 | -12.475 | -12.475 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 230 | GLY | 0 | 0.023 | 0.030 | 14.333 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 231 | SER | 0 | 0.045 | 0.027 | 15.060 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 232 | THR | 0 | 0.008 | -0.014 | 14.079 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 233 | GLN | 0 | -0.022 | -0.013 | 17.263 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 234 | LEU | 0 | -0.033 | -0.017 | 15.362 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 235 | GLY | 0 | 0.004 | 0.044 | 19.309 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 236 | ALA | 0 | 0.058 | 0.010 | 19.719 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 237 | ASP | -1 | -0.912 | -0.970 | 21.624 | -11.447 | -11.447 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 238 | GLN | 0 | 0.000 | -0.003 | 24.116 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 239 | THR | 0 | -0.090 | -0.053 | 26.571 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 240 | PRO | 0 | 0.024 | 0.037 | 22.647 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 241 | VAL | 0 | 0.011 | -0.006 | 24.656 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 242 | SER | 0 | -0.060 | -0.047 | 21.284 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 243 | SER | 0 | 0.029 | 0.004 | 22.550 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 244 | VAL | 0 | -0.026 | -0.033 | 19.345 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 245 | ARG | 1 | 0.901 | 0.965 | 13.868 | 15.207 | 15.207 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 246 | GLY | 0 | 0.047 | 0.009 | 15.073 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 247 | ILE | 0 | -0.044 | -0.007 | 15.386 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 248 | VAL | 0 | -0.013 | -0.001 | 9.886 | -0.819 | -0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 249 | VAL | 0 | 0.019 | 0.001 | 12.073 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 250 | LEU | 0 | -0.033 | -0.030 | 10.665 | -1.570 | -1.570 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 251 | VAL | 0 | 0.024 | 0.013 | 12.304 | 1.410 | 1.410 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 252 | LYS | 1 | 0.831 | 0.919 | 13.757 | 18.504 | 18.504 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 253 | ARG | 1 | 0.998 | 0.998 | 14.759 | 17.600 | 17.600 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 254 | GLN | 0 | 0.007 | -0.006 | 15.634 | 1.636 | 1.636 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 255 | ALA | 0 | -0.020 | -0.016 | 18.006 | -0.631 | -0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 256 | GLU | -1 | -0.835 | -0.891 | 19.631 | -14.899 | -14.899 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 257 | GLY | 0 | 0.011 | 0.005 | 21.305 | 0.685 | 0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 267 | CYM | -1 | -0.891 | -0.943 | 20.086 | -13.770 | -13.770 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 268 | GLY | 0 | -0.043 | -0.023 | 19.205 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 269 | PRO | 0 | -0.024 | -0.024 | 14.403 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 270 | VAL | 0 | 0.030 | 0.012 | 13.467 | 0.966 | 0.966 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 271 | LEU | 0 | -0.046 | -0.015 | 10.517 | -2.207 | -2.207 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 272 | GLU | -1 | -0.796 | -0.898 | 11.472 | -18.902 | -18.902 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 273 | GLY | 0 | 0.018 | 0.010 | 10.077 | 1.019 | 1.019 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 274 | PHE | 0 | 0.031 | 0.013 | 9.638 | -3.026 | -3.026 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 275 | VAL | 0 | -0.046 | -0.030 | 7.686 | -2.583 | -2.583 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 276 | SER | 0 | -0.066 | -0.034 | 4.193 | -6.123 | -5.970 | -0.001 | -0.039 | -0.112 | 0.000 |
75 | A | 277 | ASP | -1 | -0.831 | -0.897 | 6.539 | -21.715 | -21.715 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 278 | ASP | -1 | -0.853 | -0.917 | 7.812 | -25.618 | -25.618 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 279 | PRO | 0 | -0.007 | 0.003 | 8.047 | -1.883 | -1.883 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 280 | CYS | 0 | -0.046 | -0.025 | 6.851 | 2.286 | 2.286 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 281 | ILE | 0 | 0.020 | 0.022 | 7.502 | -1.844 | -1.844 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 282 | TYR | 0 | -0.074 | -0.062 | 9.142 | 0.875 | 0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 283 | ILE | 0 | 0.041 | 0.012 | 10.893 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 284 | GLN | 0 | -0.010 | 0.001 | 14.278 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 285 | ILE | 0 | -0.018 | -0.012 | 16.201 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 286 | GLU | -1 | -0.889 | -0.933 | 18.020 | -12.955 | -12.955 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 287 | HIS | 0 | 0.006 | 0.006 | 20.415 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 288 | SER | 0 | -0.003 | 0.007 | 21.704 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 289 | ALA | 0 | -0.017 | -0.020 | 22.943 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 290 | ILE | 0 | 0.003 | -0.005 | 25.550 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 291 | TRP | 0 | -0.001 | 0.009 | 24.815 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 292 | ASP | -1 | -0.798 | -0.910 | 25.829 | -10.598 | -10.598 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 293 | GLN | 0 | 0.027 | -0.002 | 27.326 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 294 | GLU | -1 | -0.883 | -0.938 | 21.870 | -12.640 | -12.640 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 295 | GLN | 0 | -0.109 | -0.056 | 21.868 | -0.854 | -0.854 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 296 | GLU | -1 | -0.870 | -0.916 | 23.569 | -10.096 | -10.096 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 297 | ALA | 0 | 0.027 | 0.017 | 23.406 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 298 | HIS | 0 | -0.010 | -0.019 | 18.465 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 299 | GLN | 0 | -0.021 | -0.008 | 20.392 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 300 | GLN | 0 | -0.016 | -0.019 | 22.684 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 301 | PHE | 0 | -0.006 | -0.010 | 16.039 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 302 | ALA | 0 | 0.013 | 0.002 | 18.794 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 303 | ARG | 1 | 0.840 | 0.915 | 19.741 | 10.129 | 10.129 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 304 | ASN | 0 | -0.012 | 0.004 | 22.180 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 305 | VAL | 0 | 0.041 | 0.016 | 16.422 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 306 | LEU | 0 | 0.012 | 0.003 | 18.557 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 307 | PHE | 0 | 0.018 | 0.004 | 21.002 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 308 | GLN | 0 | -0.044 | -0.037 | 21.001 | 0.514 | 0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 309 | THR | 0 | -0.049 | -0.026 | 19.373 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 310 | MET | 0 | -0.087 | -0.030 | 21.538 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 311 | LYS | 1 | 0.936 | 0.977 | 25.063 | 11.063 | 11.063 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 312 | CYS | 0 | -0.071 | -0.011 | 22.998 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 313 | LYS | 1 | 0.999 | 0.983 | 25.078 | 10.734 | 10.734 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 314 | CYS | 0 | -0.010 | 0.024 | 22.292 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 315 | PRO | 0 | -0.017 | -0.018 | 23.441 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 316 | VAL | 0 | 0.056 | 0.035 | 20.609 | -0.701 | -0.701 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 317 | ILE | 0 | -0.023 | 0.004 | 20.050 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 318 | CYS | 0 | -0.059 | -0.027 | 19.692 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 319 | PHE | 0 | 0.021 | 0.014 | 20.589 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 320 | ASN | 0 | 0.030 | 0.026 | 22.372 | 0.778 | 0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 321 | ALA | 0 | 0.056 | 0.023 | 23.752 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 322 | LYS | 1 | 0.842 | 0.901 | 25.252 | 8.949 | 8.949 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 323 | ASP | -1 | -0.835 | -0.916 | 24.507 | -10.022 | -10.022 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 324 | PHE | 0 | 0.039 | 0.017 | 19.852 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 325 | VAL | 0 | 0.034 | 0.013 | 23.048 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 326 | ARG | 1 | 0.753 | 0.872 | 25.905 | 9.728 | 9.728 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 327 | ILE | 0 | -0.028 | -0.017 | 21.315 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 328 | VAL | 0 | 0.025 | 0.010 | 21.866 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 329 | LEU | 0 | -0.040 | -0.010 | 24.259 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 330 | GLN | 0 | -0.065 | -0.052 | 26.923 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 331 | PHE | 0 | 0.006 | 0.012 | 21.020 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 332 | PHE | 0 | -0.021 | -0.009 | 24.766 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 333 | GLY | 0 | 0.003 | 0.007 | 27.408 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 334 | ASN | 0 | -0.036 | -0.028 | 30.390 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 335 | ASP | -1 | -0.823 | -0.891 | 28.404 | -9.596 | -9.596 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 336 | GLY | 0 | -0.044 | -0.019 | 30.679 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 337 | SER | 0 | 0.024 | 0.007 | 31.596 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 338 | TRP | 0 | 0.012 | -0.024 | 32.481 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 339 | LYS | 1 | 0.829 | 0.914 | 33.724 | 7.189 | 7.189 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 340 | HIS | 0 | -0.039 | 0.007 | 29.962 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 341 | VAL | 0 | 0.019 | -0.007 | 28.056 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 342 | ALA | 0 | -0.044 | -0.016 | 30.296 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 343 | ASP | -1 | -0.869 | -0.935 | 31.885 | -8.582 | -8.582 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 344 | PHE | 0 | -0.034 | -0.013 | 23.716 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 345 | ILE | 0 | -0.022 | -0.022 | 28.029 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 346 | GLY | 0 | -0.018 | 0.009 | 25.205 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 347 | LEU | 0 | -0.051 | -0.052 | 24.603 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 348 | ASP | -1 | -0.777 | -0.909 | 24.496 | -10.841 | -10.841 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 349 | PRO | 0 | 0.021 | 0.002 | 23.370 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 350 | ARG | 1 | 0.889 | 0.922 | 26.661 | 10.407 | 10.407 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 351 | ILE | 0 | -0.001 | -0.007 | 28.446 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 352 | ALA | 0 | 0.001 | 0.010 | 29.696 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 353 | ALA | 0 | 0.028 | 0.000 | 29.854 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 354 | TRP | 0 | -0.046 | -0.004 | 31.805 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 355 | LEU | 0 | -0.042 | -0.025 | 34.323 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 356 | ILE | 0 | -0.049 | -0.017 | 32.882 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 357 | ASP | -1 | -0.864 | -0.924 | 35.503 | -7.749 | -7.749 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 358 | PRO | 0 | 0.008 | 0.009 | 36.502 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 359 | SER | 0 | -0.140 | -0.074 | 38.527 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 360 | ASP | -1 | -0.861 | -0.932 | 33.016 | -8.613 | -8.613 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 361 | ALA | 0 | -0.001 | 0.005 | 34.736 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 362 | THR | 0 | -0.088 | -0.050 | 30.729 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 363 | PRO | 0 | 0.105 | 0.083 | 28.882 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 364 | SER | 0 | -0.053 | -0.072 | 24.995 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 365 | PHE | 0 | 0.012 | -0.018 | 17.772 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 366 | GLU | -1 | -0.896 | -0.960 | 21.918 | -12.543 | -12.543 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 367 | ASP | -1 | -0.769 | -0.838 | 23.009 | -10.190 | -10.190 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 368 | LEU | 0 | -0.035 | -0.024 | 25.039 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 369 | VAL | 0 | -0.010 | -0.008 | 20.665 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 370 | GLU | -1 | -0.951 | -0.966 | 24.058 | -10.038 | -10.038 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 371 | LYS | 1 | 0.844 | 0.940 | 26.533 | 9.084 | 9.084 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 372 | TYR | 0 | -0.123 | -0.082 | 27.809 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 373 | CYS | 0 | -0.004 | 0.029 | 23.763 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 374 | GLU | -1 | -0.845 | -0.890 | 25.979 | -10.057 | -10.057 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 375 | LYS | 1 | 0.894 | 0.903 | 24.683 | 9.903 | 9.903 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 376 | SER | 0 | -0.106 | -0.046 | 23.770 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 377 | ILE | 0 | 0.027 | 0.023 | 19.049 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 378 | THR | 0 | -0.007 | 0.009 | 18.176 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 379 | VAL | 0 | 0.018 | 0.003 | 16.704 | -0.914 | -0.914 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 380 | LYS | 1 | 0.882 | 0.937 | 13.083 | 18.110 | 18.110 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 381 | VAL | 0 | 0.005 | -0.006 | 14.801 | -1.054 | -1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 382 | ASN | 0 | 0.030 | 0.020 | 16.965 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 383 | SER | 0 | -0.067 | -0.012 | 13.274 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 384 | THR | 0 | 0.022 | 0.020 | 15.001 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 385 | TYR | 0 | -0.054 | -0.066 | 11.014 | -0.643 | -0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 386 | GLY | 0 | 0.025 | 0.022 | 15.430 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 387 | ASN | 0 | 0.022 | 0.028 | 17.045 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 388 | SER | 0 | -0.067 | -0.042 | 13.149 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 389 | SER | 0 | 0.050 | 0.015 | 10.030 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 390 | ARG | 1 | 1.029 | 1.011 | 8.602 | 20.854 | 20.854 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 391 | ASN | 0 | 0.006 | -0.001 | 4.694 | 2.060 | 2.116 | -0.001 | -0.004 | -0.050 | 0.000 |
190 | A | 392 | ILE | 0 | 0.016 | 0.013 | 6.222 | -1.226 | -1.226 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 393 | VAL | 0 | 0.055 | 0.041 | 8.942 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 394 | ASN | 0 | -0.034 | -0.025 | 5.436 | 1.292 | 1.292 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 395 | GLN | 0 | -0.008 | 0.001 | 5.312 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 396 | ASN | 0 | 0.025 | -0.003 | 6.408 | 0.798 | 0.798 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 397 | VAL | 0 | 0.044 | 0.034 | 9.446 | 0.891 | 0.891 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 398 | ARG | 1 | 0.854 | 0.901 | 6.021 | 33.479 | 33.479 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 399 | GLU | -1 | -0.918 | -0.968 | 8.964 | -25.953 | -25.953 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 400 | ASN | 0 | 0.006 | -0.017 | 11.353 | 1.134 | 1.134 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 401 | LEU | 0 | 0.008 | 0.009 | 11.272 | 1.053 | 1.053 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 402 | LYS | 1 | 0.905 | 0.956 | 9.705 | 26.642 | 26.642 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 403 | THR | 0 | 0.001 | 0.001 | 14.913 | 0.966 | 0.966 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 404 | LEU | 0 | 0.012 | 0.014 | 16.969 | 0.884 | 0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 405 | TYR | 0 | -0.008 | 0.001 | 17.856 | 0.658 | 0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 406 | ARG | 1 | 0.833 | 0.901 | 17.599 | 15.860 | 15.860 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 407 | LEU | 0 | 0.081 | 0.027 | 21.178 | 0.593 | 0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 408 | THR | 0 | -0.052 | -0.035 | 22.143 | 0.736 | 0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 409 | MET | 0 | -0.048 | -0.011 | 23.064 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 410 | ASP | -1 | -0.786 | -0.891 | 25.164 | -11.639 | -11.639 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 411 | LEU | 0 | -0.025 | -0.014 | 26.566 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 412 | CYS | 0 | -0.085 | -0.040 | 27.554 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 413 | SER | 0 | -0.050 | -0.031 | 29.896 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 414 | LYS | 1 | 1.069 | 1.033 | 31.633 | 9.797 | 9.797 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 415 | LEU | 0 | -0.045 | -0.017 | 31.715 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 416 | LYS | 1 | 0.851 | 0.926 | 31.425 | 9.978 | 9.978 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 417 | ASP | -1 | -0.870 | -0.917 | 35.363 | -8.569 | -8.569 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 418 | TYR | 0 | -0.107 | -0.067 | 35.917 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 419 | GLY | 0 | 0.015 | 0.020 | 39.203 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 420 | LEU | 0 | -0.030 | -0.018 | 37.279 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 421 | TRP | 0 | 0.033 | 0.008 | 30.394 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 422 | GLN | 0 | 0.054 | 0.023 | 36.115 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 423 | LEU | 0 | 0.031 | 0.038 | 38.611 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 424 | PHE | 0 | 0.008 | -0.011 | 29.126 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 425 | ARG | 1 | 0.928 | 0.960 | 31.501 | 9.192 | 9.192 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 426 | THR | 0 | -0.008 | -0.022 | 34.664 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 427 | LEU | 0 | -0.040 | -0.016 | 37.770 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 428 | GLU | -1 | -0.774 | -0.852 | 34.495 | -7.878 | -7.878 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 429 | LEU | 0 | 0.006 | 0.019 | 29.606 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 430 | PRO | 0 | 0.053 | 0.030 | 32.038 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 431 | LEU | 0 | 0.013 | 0.001 | 34.237 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 432 | ILE | 0 | -0.009 | -0.001 | 28.287 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 433 | PRO | 0 | 0.055 | 0.029 | 30.356 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 434 | ILE | 0 | 0.010 | 0.023 | 31.517 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 435 | LEU | 0 | -0.020 | -0.022 | 33.051 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 436 | ALA | 0 | 0.001 | 0.002 | 29.633 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 437 | VAL | 0 | 0.013 | 0.016 | 31.589 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 438 | MET | 0 | -0.035 | -0.005 | 34.017 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 439 | GLU | -1 | -0.748 | -0.832 | 31.458 | -8.674 | -8.674 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 440 | SER | 0 | -0.052 | -0.031 | 31.481 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 441 | HIS | 0 | -0.063 | -0.031 | 33.500 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 442 | ALA | 0 | -0.026 | 0.000 | 37.217 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 443 | ILE | 0 | 0.039 | 0.020 | 39.620 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 444 | GLN | 0 | -0.005 | -0.016 | 43.346 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 445 | VAL | 0 | -0.019 | -0.026 | 45.585 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 446 | ASN | 0 | -0.044 | -0.021 | 47.961 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 447 | LYS | 1 | 0.992 | 0.992 | 46.657 | 6.130 | 6.130 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 448 | GLU | -1 | -0.774 | -0.901 | 50.311 | -5.505 | -5.505 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 449 | GLU | -1 | -0.858 | -0.919 | 53.839 | -5.045 | -5.045 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 450 | MET | 0 | -0.009 | 0.014 | 48.730 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 451 | GLU | -1 | -0.959 | -0.962 | 52.745 | -5.514 | -5.514 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 452 | LYS | 1 | 0.908 | 0.932 | 54.219 | 5.178 | 5.178 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 453 | THR | 0 | -0.050 | -0.019 | 56.657 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 454 | SER | 0 | -0.014 | -0.033 | 53.849 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 455 | ALA | 0 | 0.029 | 0.013 | 56.349 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 456 | LEU | 0 | -0.020 | -0.011 | 59.081 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 457 | LEU | 0 | -0.011 | -0.011 | 57.133 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 458 | GLY | 0 | 0.013 | 0.007 | 59.618 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 459 | ALA | 0 | -0.003 | 0.001 | 60.236 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 460 | ARG | 1 | 0.800 | 0.873 | 63.709 | 4.472 | 4.472 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 461 | LEU | 0 | -0.021 | -0.011 | 58.611 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 462 | LYS | 1 | 0.829 | 0.898 | 62.137 | 4.784 | 4.784 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 463 | GLU | -1 | -0.852 | -0.905 | 64.974 | -4.315 | -4.315 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 464 | LEU | 0 | 0.011 | 0.003 | 64.838 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 465 | GLU | -1 | -0.860 | -0.923 | 63.330 | -4.714 | -4.714 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 466 | GLN | 0 | -0.017 | -0.003 | 66.547 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 467 | GLU | -1 | -0.834 | -0.923 | 69.861 | -4.233 | -4.233 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 468 | ALA | 0 | -0.004 | -0.006 | 68.068 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 469 | HIS | 0 | -0.058 | -0.053 | 66.119 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 470 | PHE | 0 | -0.024 | 0.000 | 70.952 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 471 | VAL | 0 | 0.005 | 0.002 | 72.928 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 472 | ALA | 0 | -0.046 | -0.017 | 71.371 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 473 | GLY | 0 | 0.017 | 0.018 | 73.468 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 474 | GLU | -1 | -0.854 | -0.914 | 70.517 | -4.257 | -4.257 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 475 | ARG | 1 | 0.924 | 0.975 | 66.067 | 4.457 | 4.457 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 476 | PHE | 0 | 0.008 | 0.013 | 65.318 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 477 | LEU | 0 | -0.006 | -0.008 | 58.572 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 478 | ILE | 0 | 0.025 | 0.011 | 61.425 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 479 | THR | 0 | 0.012 | 0.006 | 57.342 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 480 | SER | 0 | -0.018 | 0.002 | 58.305 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 481 | ASN | 0 | 0.064 | 0.024 | 57.867 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 482 | ASN | 0 | 0.007 | -0.002 | 60.212 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 483 | GLN | 0 | 0.095 | 0.046 | 62.138 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 484 | LEU | 0 | 0.051 | 0.042 | 64.224 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 485 | ARG | 1 | 0.806 | 0.878 | 62.528 | 4.847 | 4.847 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 486 | GLU | -1 | -0.820 | -0.919 | 66.170 | -4.394 | -4.394 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 487 | ILE | 0 | 0.000 | 0.007 | 68.235 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 488 | LEU | 0 | 0.011 | 0.003 | 67.756 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 489 | PHE | 0 | -0.017 | -0.031 | 67.386 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 490 | GLY | 0 | 0.074 | 0.048 | 70.994 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 491 | LYS | 1 | 0.724 | 0.849 | 72.486 | 4.191 | 4.191 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 492 | LEU | 0 | -0.025 | -0.009 | 73.353 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 493 | LYS | 1 | 0.842 | 0.927 | 74.897 | 4.067 | 4.067 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 494 | LEU | 0 | 0.035 | 0.007 | 73.248 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 495 | HIS | 0 | -0.017 | -0.007 | 72.639 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 496 | LEU | 0 | -0.012 | -0.007 | 74.692 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 497 | LEU | 0 | 0.015 | 0.039 | 77.920 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 498 | SER | 0 | 0.049 | -0.005 | 79.278 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 499 | GLN | 0 | 0.004 | 0.021 | 75.657 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 500 | ARG | 1 | 0.956 | 0.992 | 76.031 | 3.774 | 3.774 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 501 | ASN | 0 | -0.086 | -0.067 | 73.825 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 502 | SER | 0 | 0.045 | 0.033 | 73.926 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 503 | LEU | 0 | -0.037 | -0.014 | 69.990 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 504 | PRO | 0 | 0.011 | 0.008 | 66.179 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 505 | ARG | 1 | 0.970 | 0.968 | 68.691 | 4.356 | 4.356 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 506 | THR | 0 | 0.020 | 0.013 | 70.820 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 507 | GLY | 0 | 0.039 | 0.013 | 68.947 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 508 | LEU | 0 | -0.033 | -0.006 | 62.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 509 | GLN | 0 | 0.017 | 0.012 | 61.312 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 510 | LYS | 1 | 0.976 | 1.006 | 65.979 | 4.543 | 4.543 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 511 | TYR | 0 | 0.002 | 0.009 | 67.216 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 512 | PRO | 0 | 0.019 | 0.016 | 66.554 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 513 | SER | 0 | 0.008 | 0.012 | 62.107 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 514 | THR | 0 | 0.029 | -0.008 | 61.603 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 515 | SER | 0 | -0.018 | -0.019 | 61.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 516 | GLU | -1 | -0.856 | -0.944 | 62.124 | -4.785 | -4.785 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 517 | ALA | 0 | 0.042 | 0.039 | 63.969 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 518 | VAL | 0 | -0.010 | -0.009 | 65.916 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 519 | LEU | 0 | -0.006 | -0.018 | 64.924 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 520 | ASN | 0 | -0.017 | -0.007 | 66.586 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 521 | ALA | 0 | -0.003 | 0.012 | 69.711 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 522 | LEU | 0 | -0.025 | -0.025 | 70.657 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 523 | ARG | 1 | 0.848 | 0.924 | 69.425 | 4.324 | 4.324 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 524 | ASP | -1 | -0.859 | -0.922 | 73.620 | -3.969 | -3.969 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 525 | LEU | 0 | -0.085 | -0.036 | 76.409 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 526 | HIS | 0 | 0.045 | 0.020 | 74.879 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 527 | PRO | 0 | 0.052 | 0.023 | 75.104 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 528 | LEU | 0 | -0.001 | 0.008 | 69.269 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 529 | PRO | 0 | 0.004 | 0.001 | 69.021 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 530 | LYS | 1 | 0.974 | 0.989 | 68.204 | 4.243 | 4.243 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 531 | ILE | 0 | 0.015 | 0.021 | 68.161 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 532 | ILE | 0 | 0.000 | -0.005 | 64.035 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 533 | LEU | 0 | -0.042 | -0.023 | 63.944 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 534 | GLU | -1 | -0.814 | -0.905 | 63.430 | -4.515 | -4.515 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 535 | TYR | 0 | 0.033 | 0.012 | 59.791 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 536 | ARG | 1 | 0.896 | 0.929 | 59.334 | 4.821 | 4.821 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 537 | GLN | 0 | -0.027 | -0.002 | 58.712 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 538 | VAL | 0 | 0.047 | 0.016 | 58.655 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 539 | HIS | 0 | 0.002 | 0.012 | 54.233 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 540 | LYS | 1 | 0.940 | 0.983 | 51.723 | 5.511 | 5.511 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 541 | ILE | 0 | -0.002 | -0.014 | 53.807 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 542 | LYS | 1 | 0.852 | 0.908 | 53.889 | 5.294 | 5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 543 | SER | 0 | 0.007 | 0.007 | 51.073 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 544 | THR | 0 | -0.098 | -0.060 | 48.449 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 545 | PHE | 0 | -0.043 | -0.042 | 49.071 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 546 | VAL | 0 | 0.004 | 0.009 | 50.972 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 547 | ASP | -1 | -0.743 | -0.829 | 49.823 | -5.647 | -5.647 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 548 | GLY | 0 | 0.012 | 0.008 | 46.422 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 549 | LEU | 0 | -0.016 | -0.010 | 45.036 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 550 | LEU | 0 | 0.030 | 0.004 | 45.454 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 551 | ALA | 0 | -0.023 | 0.000 | 43.419 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 552 | CYS | 0 | -0.128 | -0.054 | 40.751 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 553 | MET | 0 | -0.040 | -0.006 | 40.044 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 554 | LYS | 1 | 0.986 | 0.980 | 33.964 | 7.968 | 7.968 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 555 | LYS | 1 | 0.963 | 0.979 | 38.887 | 7.210 | 7.210 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 556 | GLY | 0 | 0.048 | 0.030 | 41.677 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 557 | SER | 0 | -0.017 | 0.011 | 41.020 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 558 | ILE | 0 | 0.002 | 0.009 | 40.599 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 559 | SER | 0 | 0.030 | -0.002 | 36.681 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 560 | SER | 0 | -0.040 | -0.015 | 37.737 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 561 | THR | 0 | -0.045 | -0.017 | 32.987 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 562 | TRP | 0 | 0.050 | 0.004 | 34.753 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 563 | ASN | 0 | -0.024 | -0.024 | 33.937 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 564 | GLN | 0 | -0.020 | -0.045 | 33.267 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 565 | THR | 0 | -0.004 | -0.007 | 32.046 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 566 | GLY | 0 | -0.031 | -0.004 | 35.056 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 567 | THR | 0 | -0.044 | -0.025 | 37.616 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 568 | VAL | 0 | 0.063 | 0.020 | 39.801 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 569 | THR | 0 | -0.042 | -0.043 | 42.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 570 | GLY | 0 | 0.063 | 0.037 | 40.649 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 571 | ARG | 1 | 0.868 | 0.940 | 41.433 | 6.221 | 6.221 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 572 | LEU | 0 | 0.056 | 0.046 | 37.638 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 573 | SER | 0 | -0.001 | 0.006 | 38.837 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 574 | ALA | 0 | 0.017 | 0.019 | 38.760 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 575 | LYS | 1 | 0.883 | 0.924 | 33.588 | 8.358 | 8.358 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 576 | HIS | 1 | 0.915 | 0.989 | 37.809 | 7.324 | 7.324 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 577 | PRO | 0 | 0.115 | 0.044 | 39.056 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 578 | ASN | 0 | 0.004 | -0.008 | 42.061 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 579 | ILE | 0 | 0.070 | 0.023 | 42.933 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 580 | GLN | 0 | -0.009 | -0.026 | 43.205 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 581 | GLY | 0 | -0.055 | -0.014 | 46.560 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 582 | ILE | 0 | -0.040 | -0.001 | 47.197 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 583 | SER | 0 | 0.012 | -0.013 | 50.449 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 584 | LYS | 1 | 0.884 | 0.946 | 53.853 | 5.535 | 5.535 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 585 | HIS | 0 | 0.026 | 0.017 | 55.820 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 586 | PRO | 0 | -0.023 | -0.003 | 59.317 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 587 | ILE | 0 | 0.000 | 0.002 | 59.951 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 588 | GLN | 0 | -0.006 | -0.012 | 62.247 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 589 | ILE | 0 | -0.002 | -0.001 | 62.811 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 590 | THR | 0 | 0.026 | 0.006 | 66.258 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 591 | THR | 0 | -0.061 | -0.036 | 67.468 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 592 | PRO | 0 | 0.050 | 0.059 | 66.365 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 593 | LYS | 1 | 0.975 | 0.975 | 69.262 | 4.239 | 4.239 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 601 | LYS | 1 | 0.978 | 0.995 | 69.449 | 4.344 | 4.344 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 602 | ILE | 0 | 0.017 | -0.004 | 68.894 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 603 | LEU | 0 | -0.003 | 0.002 | 63.462 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 604 | THR | 0 | -0.023 | -0.007 | 63.274 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 605 | ILE | 0 | 0.057 | 0.022 | 58.200 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 606 | SER | 0 | 0.035 | 0.010 | 57.287 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 607 | PRO | 0 | 0.005 | -0.006 | 52.955 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 608 | ARG | 1 | 0.901 | 0.955 | 51.092 | 5.681 | 5.681 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 609 | ALA | 0 | -0.023 | -0.003 | 52.732 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 610 | MET | 0 | -0.035 | -0.005 | 51.024 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 611 | PHE | 0 | 0.005 | -0.005 | 45.564 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 612 | VAL | 0 | -0.008 | 0.000 | 49.150 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 613 | SER | 0 | -0.009 | -0.031 | 48.012 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 614 | SER | 0 | -0.030 | -0.023 | 45.583 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 615 | LYS | 1 | 0.858 | 0.986 | 47.802 | 5.395 | 5.395 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 616 | GLY | 0 | 0.016 | -0.023 | 48.986 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 617 | HIS | 0 | 0.065 | 0.011 | 45.094 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 618 | THR | 0 | -0.023 | 0.017 | 49.733 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 619 | PHE | 0 | 0.000 | 0.001 | 46.398 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 620 | LEU | 0 | -0.007 | -0.003 | 49.558 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 621 | ALA | 0 | -0.023 | -0.009 | 49.624 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 622 | ALA | 0 | 0.027 | 0.006 | 49.976 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 623 | ASH | 0 | -0.070 | -0.075 | 50.830 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 624 | PHE | 0 | 0.082 | 0.036 | 48.472 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 625 | SER | 0 | -0.057 | -0.032 | 53.715 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 626 | GLN | 0 | 0.030 | 0.009 | 57.370 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 627 | ILE | 0 | 0.074 | 0.043 | 50.831 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 628 | GLU | -1 | -0.836 | -0.924 | 52.869 | -5.710 | -5.710 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 629 | LEU | 0 | 0.016 | 0.013 | 55.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 630 | ARG | 1 | 0.823 | 0.895 | 56.779 | 5.246 | 5.246 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 631 | ILE | 0 | 0.020 | 0.013 | 51.712 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 632 | LEU | 0 | -0.003 | -0.002 | 55.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 633 | THR | 0 | -0.009 | -0.002 | 58.129 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 634 | HIS | 0 | 0.022 | 0.025 | 54.089 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 635 | LEU | 0 | -0.042 | -0.014 | 53.350 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 636 | SER | 0 | -0.101 | -0.071 | 57.523 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 637 | GLY | 0 | 0.052 | 0.019 | 61.100 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 638 | ASP | -1 | -0.891 | -0.976 | 62.695 | -4.562 | -4.562 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 639 | PRO | 0 | 0.023 | 0.002 | 65.672 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 640 | GLU | -1 | -0.798 | -0.892 | 68.557 | -4.297 | -4.297 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 641 | LEU | 0 | -0.003 | 0.005 | 63.286 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 642 | LEU | 0 | -0.007 | -0.004 | 63.134 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 643 | LYS | 1 | 0.922 | 0.973 | 65.508 | 4.224 | 4.224 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 644 | LEU | 0 | -0.014 | 0.003 | 65.498 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 645 | PHE | 0 | 0.010 | -0.052 | 61.512 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 646 | GLN | 0 | -0.017 | -0.013 | 63.748 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 647 | GLU | -1 | -0.928 | -0.953 | 67.112 | -4.297 | -4.297 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 648 | SER | 0 | 0.012 | -0.025 | 68.422 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 649 | GLU | -1 | -0.810 | -0.845 | 61.142 | -5.092 | -5.092 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 650 | ARG | 1 | 0.874 | 0.954 | 64.182 | 4.586 | 4.586 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 651 | ASP | -1 | -0.857 | -0.916 | 65.374 | -4.494 | -4.494 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 652 | ASP | -1 | -0.792 | -0.848 | 65.917 | -4.570 | -4.570 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 653 | VAL | 0 | 0.048 | 0.031 | 62.993 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 654 | PHE | 0 | 0.005 | -0.011 | 61.094 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 655 | SER | 0 | -0.025 | -0.016 | 66.472 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 656 | THR | 0 | 0.084 | 0.040 | 69.188 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 657 | LEU | 0 | -0.010 | 0.013 | 65.578 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 658 | THR | 0 | -0.040 | -0.039 | 69.473 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 659 | SER | 0 | -0.031 | 0.001 | 71.577 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 660 | GLN | 0 | 0.030 | 0.017 | 70.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 661 | TRP | 0 | -0.058 | -0.044 | 70.124 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 662 | LYS | 1 | 0.835 | 0.916 | 73.284 | 4.234 | 4.234 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 663 | ASP | -1 | -0.902 | -0.933 | 76.266 | -3.881 | -3.881 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 664 | VAL | 0 | -0.037 | 0.004 | 77.515 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 665 | PRO | 0 | 0.003 | -0.014 | 77.729 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 666 | VAL | 0 | -0.054 | -0.028 | 78.245 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 667 | GLU | -1 | -0.879 | -0.935 | 76.546 | -4.008 | -4.008 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 668 | GLN | 0 | -0.021 | -0.021 | 71.053 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 669 | VAL | 0 | -0.001 | 0.015 | 74.012 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 670 | THR | 0 | -0.003 | -0.033 | 74.241 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 671 | HIS | 0 | 0.036 | 0.016 | 67.595 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 672 | ALA | 0 | 0.055 | 0.013 | 69.958 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 673 | ASP | -1 | -0.775 | -0.851 | 70.392 | -4.221 | -4.221 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 674 | ARG | 1 | 0.783 | 0.871 | 65.395 | 4.505 | 4.505 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 675 | GLU | -1 | -0.917 | -0.975 | 63.966 | -4.878 | -4.878 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 676 | GLN | 0 | -0.039 | -0.035 | 66.248 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 677 | THR | 0 | -0.009 | -0.028 | 66.824 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 678 | LYS | 1 | 0.913 | 0.969 | 59.774 | 4.979 | 4.979 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 679 | LYS | 1 | 0.834 | 0.917 | 62.771 | 4.630 | 4.630 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 680 | VAL | 0 | -0.004 | -0.002 | 63.340 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 681 | VAL | 0 | 0.015 | 0.019 | 61.022 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 682 | TYR | 0 | 0.000 | -0.014 | 56.952 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 683 | ALA | 0 | -0.042 | -0.005 | 59.182 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 684 | VAL | 0 | -0.054 | -0.032 | 60.880 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 685 | VAL | 0 | -0.039 | -0.007 | 55.932 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 686 | TYR | 0 | -0.104 | -0.050 | 53.125 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 687 | GLY | 0 | 0.020 | 0.040 | 56.268 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 688 | ALA | 0 | 0.013 | -0.038 | 56.929 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 689 | GLY | 0 | -0.094 | -0.052 | 60.500 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 690 | LYS | 1 | 0.958 | 0.974 | 63.475 | 4.537 | 4.537 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 691 | GLU | -1 | -0.807 | -0.905 | 64.604 | -4.581 | -4.581 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 692 | ARG | 1 | 0.929 | 0.957 | 55.818 | 5.310 | 5.310 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 693 | LEU | 0 | 0.030 | 0.044 | 63.016 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 694 | ALA | 0 | 0.015 | -0.002 | 64.832 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 695 | ALA | 0 | -0.061 | -0.021 | 63.600 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 696 | CYS | 0 | -0.064 | -0.026 | 62.252 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 697 | LEU | 0 | 0.030 | 0.025 | 64.354 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 698 | GLY | 0 | 0.014 | 0.014 | 67.762 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 699 | VAL | 0 | 0.009 | 0.003 | 70.636 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 700 | PRO | 0 | 0.042 | 0.016 | 71.504 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 701 | ILE | 0 | 0.028 | 0.000 | 69.530 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 702 | GLN | 0 | -0.020 | -0.011 | 71.744 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 703 | GLU | -1 | -0.837 | -0.913 | 74.328 | -4.088 | -4.088 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 704 | ALA | 0 | 0.003 | 0.003 | 68.921 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 705 | ALA | 0 | -0.051 | -0.041 | 70.140 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 706 | GLN | 0 | 0.023 | 0.009 | 71.175 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 707 | PHE | 0 | 0.046 | 0.018 | 70.568 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 708 | LEU | 0 | -0.050 | -0.030 | 65.445 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 709 | GLU | -1 | -0.918 | -0.959 | 69.145 | -4.288 | -4.288 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 710 | SER | 0 | 0.005 | 0.015 | 71.106 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 711 | PHE | 0 | 0.023 | 0.001 | 65.057 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 712 | LEU | 0 | -0.053 | -0.044 | 64.843 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 713 | GLN | 0 | -0.072 | -0.028 | 68.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 714 | LYS | 1 | 0.843 | 0.947 | 71.459 | 4.296 | 4.296 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 715 | TYR | 0 | -0.049 | -0.033 | 67.267 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 716 | LYS | 1 | 0.903 | 0.940 | 67.937 | 4.510 | 4.510 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 717 | LYS | 1 | 0.961 | 0.973 | 64.399 | 4.689 | 4.689 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 718 | ILE | 0 | 0.058 | 0.036 | 61.760 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 719 | LYS | 1 | 0.979 | 0.993 | 62.314 | 4.695 | 4.695 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 720 | ASP | -1 | -0.832 | -0.895 | 63.384 | -4.756 | -4.756 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 721 | PHE | 0 | 0.078 | 0.036 | 55.530 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 722 | ALA | 0 | 0.021 | 0.017 | 58.681 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 723 | ARG | 1 | 0.833 | 0.898 | 58.748 | 4.738 | 4.738 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 724 | ALA | 0 | 0.020 | 0.011 | 58.827 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 725 | ALA | 0 | 0.038 | 0.027 | 54.649 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 726 | ILE | 0 | 0.000 | -0.009 | 54.648 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 727 | ALA | 0 | -0.025 | 0.001 | 55.979 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 728 | GLN | 0 | 0.081 | 0.033 | 50.822 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 729 | CYS | 0 | -0.024 | -0.006 | 50.948 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 730 | HIS | 1 | 0.771 | 0.894 | 51.456 | 5.463 | 5.463 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 731 | GLN | 0 | -0.010 | 0.013 | 53.205 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 732 | THR | 0 | 0.025 | 0.015 | 48.345 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 733 | GLY | 0 | 0.037 | 0.022 | 48.108 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 734 | CYS | 0 | -0.132 | -0.066 | 45.599 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 735 | VAL | 0 | -0.009 | 0.005 | 47.327 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 736 | VAL | 0 | 0.008 | 0.003 | 45.528 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 737 | SER | 0 | -0.085 | -0.049 | 45.559 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 738 | ILE | 0 | 0.045 | 0.009 | 47.972 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 739 | MET | 0 | -0.025 | 0.005 | 43.875 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 740 | GLY | 0 | 0.064 | 0.035 | 43.508 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 741 | ARG | 1 | 0.810 | 0.897 | 39.887 | 7.150 | 7.150 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 742 | ARG | 1 | 0.924 | 0.951 | 39.418 | 7.723 | 7.723 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 743 | ARG | 1 | 0.894 | 0.954 | 42.431 | 6.492 | 6.492 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 744 | PRO | 0 | 0.034 | 0.001 | 41.343 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 745 | LEU | 0 | -0.065 | -0.034 | 44.697 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 746 | PRO | 0 | 0.137 | 0.056 | 44.735 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 747 | ARG | 1 | 0.921 | 0.966 | 47.805 | 6.301 | 6.301 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 748 | ILE | 0 | -0.016 | -0.011 | 50.637 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 749 | HIS | 0 | -0.026 | -0.035 | 49.968 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 750 | ALA | 0 | -0.056 | -0.006 | 52.576 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 751 | HIS | 0 | 0.084 | 0.028 | 54.060 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 752 | ASP | -1 | -0.846 | -0.906 | 55.960 | -5.249 | -5.249 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 753 | GLN | 0 | 0.056 | -0.009 | 57.295 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 754 | GLN | 0 | -0.023 | 0.001 | 57.992 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 755 | LEU | 0 | -0.039 | -0.031 | 52.216 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 756 | ARG | 1 | 0.911 | 0.976 | 54.309 | 5.219 | 5.219 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 757 | ALA | 0 | 0.053 | 0.024 | 55.925 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 758 | GLN | 0 | -0.087 | -0.045 | 52.055 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 759 | ALA | 0 | 0.010 | 0.001 | 51.837 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 760 | GLU | -1 | -0.795 | -0.911 | 52.841 | -5.352 | -5.352 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 761 | ARG | 1 | 0.883 | 0.947 | 55.310 | 5.339 | 5.339 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 762 | GLN | 0 | -0.003 | 0.000 | 48.964 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 763 | ALA | 0 | 0.032 | 0.017 | 51.111 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 764 | VAL | 0 | -0.014 | -0.011 | 52.160 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 765 | ASN | 0 | -0.032 | -0.021 | 50.401 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 766 | PHE | 0 | -0.038 | -0.029 | 44.444 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 767 | VAL | 0 | 0.047 | 0.043 | 49.025 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 768 | VAL | 0 | 0.050 | 0.038 | 50.667 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 769 | GLN | 0 | 0.008 | 0.003 | 48.148 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 770 | GLY | 0 | 0.040 | 0.017 | 46.214 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 771 | SER | 0 | 0.013 | -0.014 | 46.289 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 772 | ALA | 0 | -0.009 | 0.002 | 48.207 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 773 | ALA | 0 | -0.026 | -0.014 | 44.091 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 774 | ASP | -1 | -0.770 | -0.874 | 43.296 | -7.068 | -7.068 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 775 | LEU | 0 | 0.043 | 0.017 | 44.513 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 776 | CYS | 0 | -0.057 | -0.020 | 45.691 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 777 | LYS | 1 | 0.848 | 0.908 | 38.271 | 7.575 | 7.575 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 778 | LEU | 0 | 0.048 | 0.033 | 41.723 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 779 | ALA | 0 | 0.030 | 0.010 | 43.528 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 780 | MET | 0 | -0.066 | -0.024 | 38.755 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 781 | ILE | 0 | 0.012 | 0.004 | 38.012 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 782 | HIS | 0 | 0.008 | 0.009 | 40.500 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 783 | VAL | 0 | -0.004 | -0.003 | 43.321 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 784 | PHE | 0 | -0.018 | -0.003 | 35.071 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 785 | THR | 0 | -0.006 | -0.026 | 39.060 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 786 | ALA | 0 | -0.023 | -0.006 | 40.291 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 787 | VAL | 0 | -0.021 | -0.011 | 42.294 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 788 | ALA | 0 | -0.006 | -0.005 | 37.588 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 789 | ALA | 0 | -0.004 | 0.014 | 39.346 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 790 | SER | 0 | -0.022 | -0.015 | 41.312 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 791 | HIS | 0 | -0.034 | -0.015 | 42.834 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 792 | THR | 0 | 0.007 | -0.040 | 44.152 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 793 | LEU | 0 | -0.025 | 0.026 | 45.474 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 794 | THR | 0 | -0.018 | -0.038 | 42.880 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 795 | ALA | 0 | -0.048 | -0.010 | 43.115 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 796 | ARG | 1 | 0.934 | 0.965 | 35.071 | 7.631 | 7.631 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 797 | LEU | 0 | 0.000 | -0.013 | 40.048 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 798 | VAL | 0 | -0.026 | -0.009 | 40.266 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 799 | ALA | 0 | -0.019 | -0.017 | 41.204 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 800 | GLN | 0 | -0.003 | -0.019 | 42.017 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 801 | ILE | 0 | 0.007 | 0.013 | 44.171 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 802 | HIS | 0 | -0.009 | 0.016 | 44.500 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 803 | ASP | -1 | -0.850 | -0.932 | 47.114 | -5.901 | -5.901 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 804 | GLU | -1 | -0.842 | -0.877 | 48.970 | -5.649 | -5.649 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 805 | LEU | 0 | 0.042 | 0.014 | 44.497 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 806 | LEU | 0 | 0.002 | -0.001 | 45.938 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 807 | PHE | 0 | 0.048 | 0.010 | 43.812 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 808 | GLU | -1 | -0.795 | -0.883 | 44.089 | -6.388 | -6.388 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 809 | VAL | 0 | 0.002 | -0.016 | 45.268 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 810 | GLU | -1 | -0.811 | -0.903 | 47.376 | -6.072 | -6.072 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 811 | ASP | -1 | -0.801 | -0.892 | 48.928 | -5.562 | -5.562 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 812 | PRO | 0 | -0.009 | -0.005 | 51.382 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 813 | GLN | 0 | 0.077 | 0.053 | 46.916 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 814 | ILE | 0 | 0.021 | 0.022 | 51.701 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 815 | PRO | 0 | 0.008 | -0.009 | 53.467 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 816 | GLU | -1 | -0.853 | -0.904 | 50.377 | -6.036 | -6.036 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 817 | CYS | 0 | -0.043 | -0.009 | 48.936 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 818 | ALA | 0 | 0.028 | 0.013 | 50.618 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 819 | ALA | 0 | -0.027 | -0.009 | 53.214 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 820 | LEU | 0 | 0.014 | 0.012 | 46.573 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 821 | VAL | 0 | 0.003 | 0.001 | 47.968 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 822 | ARG | 1 | 0.929 | 0.980 | 50.131 | 5.275 | 5.275 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 823 | ARG | 1 | 0.973 | 0.990 | 52.295 | 5.625 | 5.625 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 824 | THR | 0 | -0.031 | -0.017 | 46.386 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 825 | MET | 0 | -0.034 | -0.023 | 48.549 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 826 | GLU | -1 | -0.849 | -0.937 | 50.381 | -5.386 | -5.386 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 827 | SER | 0 | -0.062 | -0.037 | 51.345 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 828 | LEU | 0 | -0.036 | -0.010 | 46.956 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 829 | GLU | -1 | -0.962 | -0.972 | 50.519 | -5.433 | -5.433 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 830 | GLN | 0 | -0.002 | 0.004 | 52.870 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 831 | VAL | 0 | -0.017 | -0.005 | 46.278 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 832 | GLN | 0 | -0.036 | 0.016 | 47.829 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 833 | ALA | 0 | -0.025 | -0.012 | 43.547 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 834 | LEU | 0 | -0.036 | -0.040 | 43.687 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 835 | GLU | -1 | -0.844 | -0.928 | 45.737 | -6.633 | -6.633 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 836 | LEU | 0 | -0.070 | -0.036 | 47.493 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 837 | GLN | 0 | 0.031 | -0.007 | 50.046 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 838 | LEU | 0 | -0.072 | -0.031 | 52.245 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 839 | GLN | 0 | -0.005 | -0.011 | 55.628 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 840 | VAL | 0 | -0.055 | -0.021 | 58.178 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 841 | PRO | 0 | 0.107 | 0.080 | 57.589 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 842 | LEU | 0 | -0.029 | -0.017 | 52.260 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 843 | LYS | 1 | 0.865 | 0.932 | 56.385 | 4.920 | 4.920 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 844 | VAL | 0 | -0.018 | -0.011 | 53.027 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 845 | SER | 0 | -0.045 | -0.018 | 55.841 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 846 | LEU | 0 | -0.007 | 0.002 | 53.179 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 847 | SER | 0 | -0.028 | -0.014 | 54.876 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 848 | ALA | 0 | 0.038 | 0.015 | 54.379 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 849 | GLY | 0 | 0.016 | 0.006 | 54.166 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 850 | ARG | 1 | 0.796 | 0.865 | 52.809 | 5.444 | 5.444 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 851 | SER | 0 | 0.025 | 0.010 | 52.645 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 852 | TRP | 0 | 0.021 | 0.006 | 48.582 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 853 | GLY | 0 | -0.061 | -0.022 | 52.542 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 854 | HIS | 0 | -0.038 | -0.031 | 55.632 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 855 | LEU | 0 | -0.003 | 0.013 | 53.140 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 856 | VAL | 0 | -0.005 | 0.003 | 57.496 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 857 | PRO | 0 | 0.008 | -0.007 | 59.201 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 858 | LEU | 0 | 0.006 | 0.008 | 56.367 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 859 | GLN | 0 | 0.008 | 0.005 | 60.032 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |