FMODB ID: 942Z2
Calculation Name: 5CWW-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5CWW
Chain ID: B
UniProt ID: G0SAK3
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 | 538 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10966975.623986 |
---|---|
FMO2-HF: Nuclear repulsion | 10760031.069528 |
FMO2-HF: Total energy | -206944.554459 |
FMO2-MP2: Total energy | -207553.761178 |
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(B:3:LYS)
Summations of interaction energy for
fragment #1(B:3: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. |
-160.262 | -158.914 | -0.016 | -0.542 | -0.791 | 0.002 |
Interaction energy analysis for fragmet #1(B:3: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 | B | 5 | LYS | 1 | 0.938 | 0.963 | 3.808 | 29.422 | 30.770 | -0.016 | -0.542 | -0.791 | 0.002 |
4 | B | 6 | SER | 0 | 0.019 | 0.027 | 6.213 | 2.559 | 2.559 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 7 | PHE | 0 | 0.027 | 0.006 | 7.937 | -1.301 | -1.301 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 8 | ALA | 0 | 0.085 | 0.048 | 9.870 | 1.928 | 1.928 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 9 | PRO | 0 | 0.048 | 0.040 | 9.312 | -2.787 | -2.787 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 10 | ALA | 0 | 0.011 | -0.009 | 7.815 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 11 | TRP | 0 | 0.026 | 0.013 | 8.827 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 12 | LEU | 0 | -0.012 | -0.006 | 11.288 | 1.597 | 1.597 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 13 | ASN | 0 | -0.045 | -0.021 | 7.552 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 14 | GLU | -1 | -0.891 | -0.925 | 9.366 | -17.794 | -17.794 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 15 | PRO | 0 | -0.106 | -0.060 | 7.887 | -2.029 | -2.029 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 16 | ALA | 0 | 0.016 | 0.002 | 10.820 | 1.174 | 1.174 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 17 | PRO | 0 | 0.011 | -0.010 | 12.662 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 18 | GLY | 0 | 0.072 | 0.029 | 15.390 | 0.708 | 0.708 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 19 | HIS | 0 | 0.027 | 0.014 | 12.049 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 20 | LYS | 1 | 0.912 | 0.961 | 14.402 | 13.883 | 13.883 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 21 | LEU | 0 | -0.024 | -0.009 | 17.616 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 22 | PHE | 0 | -0.001 | -0.003 | 15.874 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 23 | ALA | 0 | 0.050 | 0.051 | 15.188 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 24 | PRO | 0 | -0.032 | -0.002 | 17.038 | 0.791 | 0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 42 | LYS | 1 | 0.856 | 0.910 | 30.154 | 8.290 | 8.290 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 43 | PRO | 0 | 0.039 | 0.024 | 31.675 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 44 | GLY | 0 | 0.030 | 0.012 | 32.650 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 45 | PRO | 0 | 0.036 | 0.035 | 31.308 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 46 | ARG | 1 | 0.790 | 0.868 | 21.280 | 11.932 | 11.932 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 47 | ARG | 1 | 0.891 | 0.935 | 27.278 | 8.871 | 8.871 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 48 | THR | 0 | 0.007 | -0.009 | 24.291 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 49 | ILE | 0 | -0.011 | 0.000 | 21.193 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 50 | ALA | 0 | 0.028 | 0.031 | 25.612 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 51 | ARG | 1 | 0.862 | 0.923 | 25.933 | 10.612 | 10.612 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 52 | ARG | 1 | 0.859 | 0.922 | 28.063 | 9.516 | 9.516 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 53 | GLY | 0 | 0.040 | 0.035 | 29.028 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 54 | THR | 0 | 0.039 | 0.008 | 24.336 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 55 | GLU | -1 | -0.780 | -0.841 | 24.217 | -10.308 | -10.308 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 56 | ILE | 0 | -0.010 | -0.015 | 20.480 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 57 | PHE | 0 | -0.026 | -0.030 | 25.145 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 58 | VAL | 0 | 0.055 | 0.019 | 21.137 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 59 | ALA | 0 | -0.019 | -0.002 | 24.411 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 60 | CYS | 0 | -0.021 | -0.006 | 22.676 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 61 | GLY | 0 | 0.028 | 0.020 | 25.135 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 62 | LYS | 1 | 0.866 | 0.928 | 28.115 | 8.729 | 8.729 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 63 | GLN | 0 | -0.049 | -0.012 | 25.284 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 64 | ILE | 0 | 0.046 | 0.019 | 27.317 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 65 | ARG | 1 | 0.805 | 0.890 | 20.212 | 12.383 | 12.383 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 66 | TRP | 0 | -0.040 | -0.025 | 24.590 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 67 | GLY | 0 | 0.063 | 0.016 | 22.683 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 68 | ASP | -1 | -0.773 | -0.849 | 23.600 | -11.902 | -11.902 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 69 | LEU | 0 | -0.010 | -0.013 | 18.607 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 70 | ALA | 0 | 0.055 | 0.032 | 19.866 | -0.790 | -0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 71 | GLN | 0 | 0.011 | -0.011 | 21.319 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 72 | LEU | 0 | -0.043 | -0.009 | 17.787 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 73 | LYS | 1 | 0.912 | 0.971 | 16.552 | 15.856 | 15.856 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 74 | GLU | -1 | -0.884 | -0.942 | 17.126 | -13.929 | -13.929 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 75 | SER | 0 | -0.051 | -0.029 | 18.454 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 76 | TRP | 0 | -0.052 | -0.035 | 9.073 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 77 | GLU | -1 | -0.918 | -0.965 | 14.471 | -19.900 | -19.900 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 78 | SER | 0 | -0.084 | -0.043 | 16.326 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 79 | ARG | 1 | 0.897 | 0.975 | 9.957 | 24.658 | 24.658 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 80 | PRO | 0 | -0.007 | -0.004 | 17.555 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 81 | SER | 0 | -0.033 | -0.022 | 15.844 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 98 | ASP | -1 | -0.886 | -0.944 | 24.512 | -10.855 | -10.855 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 99 | ASP | -1 | -0.968 | -1.000 | 27.187 | -9.171 | -9.171 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 100 | GLY | 0 | 0.024 | -0.009 | 24.861 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 101 | ALA | 0 | -0.005 | 0.006 | 25.613 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 102 | ALA | 0 | -0.003 | -0.005 | 25.345 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 103 | THR | 0 | -0.098 | -0.053 | 20.444 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 104 | ALA | 0 | 0.051 | 0.027 | 23.131 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 105 | GLY | 0 | 0.048 | 0.024 | 22.315 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 106 | TYR | 0 | -0.013 | -0.023 | 21.185 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 107 | ARG | 1 | 0.925 | 0.972 | 23.606 | 9.835 | 9.835 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 108 | ILE | 0 | -0.051 | -0.001 | 24.690 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 109 | ILE | 0 | 0.018 | 0.005 | 27.406 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 110 | LYS | 1 | 0.932 | 0.965 | 30.087 | 8.933 | 8.933 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 111 | THR | 0 | 0.005 | -0.004 | 31.808 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 112 | PRO | 0 | -0.030 | -0.013 | 34.501 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 113 | VAL | 0 | -0.032 | 0.009 | 33.530 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 114 | ALA | 0 | 0.007 | -0.008 | 36.428 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 115 | ASP | -1 | -0.858 | -0.946 | 34.591 | -8.157 | -8.157 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 116 | ASP | -1 | -0.912 | -0.951 | 29.799 | -9.141 | -9.141 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 117 | ILE | 0 | -0.043 | -0.026 | 29.867 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 118 | ARG | 1 | 0.866 | 0.931 | 29.925 | 8.307 | 8.307 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 119 | GLN | 0 | -0.029 | -0.036 | 30.567 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 120 | LEU | 0 | -0.041 | -0.005 | 27.938 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 121 | VAL | 0 | 0.029 | 0.015 | 31.597 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 122 | MET | 0 | -0.012 | 0.008 | 31.103 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 123 | SER | 0 | -0.004 | 0.012 | 34.233 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 124 | PRO | 0 | 0.039 | 0.001 | 36.753 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 125 | ASN | 0 | -0.019 | -0.017 | 37.975 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 126 | GLN | 0 | -0.028 | -0.015 | 33.070 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 127 | ASP | -1 | -0.765 | -0.868 | 35.649 | -7.581 | -7.581 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 128 | PHE | 0 | -0.091 | -0.047 | 37.991 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 129 | LEU | 0 | 0.037 | 0.016 | 31.246 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 130 | ALA | 0 | -0.018 | 0.004 | 35.671 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 131 | VAL | 0 | -0.012 | -0.019 | 33.010 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 132 | LEU | 0 | 0.039 | 0.029 | 34.438 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 133 | THR | 0 | -0.019 | -0.018 | 34.069 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 134 | SER | 0 | 0.024 | -0.011 | 35.827 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 135 | HIS | 0 | 0.066 | 0.049 | 37.473 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 136 | THR | 0 | -0.052 | 0.000 | 39.315 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 137 | VAL | 0 | 0.066 | 0.028 | 38.972 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 138 | HIS | 0 | -0.012 | -0.009 | 37.757 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 139 | ILE | 0 | 0.017 | 0.012 | 38.222 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 140 | CYS | 0 | -0.058 | -0.019 | 35.342 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 141 | ILE | 0 | -0.009 | -0.013 | 37.413 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 142 | LEU | 0 | -0.017 | 0.002 | 32.852 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 143 | PRO | 0 | -0.066 | -0.022 | 32.922 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 144 | ASP | -1 | -0.811 | -0.915 | 34.601 | -8.436 | -8.436 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 145 | SER | 0 | 0.077 | -0.009 | 31.091 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 146 | SER | 0 | -0.025 | -0.002 | 31.109 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 147 | HIS | 1 | 0.775 | 0.890 | 32.254 | 8.325 | 8.325 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 148 | LEU | 0 | 0.002 | 0.013 | 26.075 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 149 | HIS | 0 | 0.021 | 0.018 | 27.195 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 150 | ILE | 0 | -0.011 | -0.010 | 24.929 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 151 | GLN | 0 | -0.037 | -0.022 | 29.297 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 152 | ASP | -1 | -0.798 | -0.864 | 32.354 | -8.085 | -8.085 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 153 | THR | 0 | -0.019 | -0.014 | 33.514 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 154 | THR | 0 | -0.108 | -0.067 | 36.144 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 155 | PRO | 0 | -0.025 | -0.020 | 36.572 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 156 | PHE | 0 | 0.020 | 0.008 | 30.796 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 157 | LYS | 1 | 0.925 | 0.956 | 35.424 | 7.141 | 7.141 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 158 | PRO | 0 | 0.049 | 0.031 | 33.608 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 159 | LYS | 1 | 0.882 | 0.957 | 36.949 | 6.846 | 6.846 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 160 | PHE | 0 | 0.065 | 0.021 | 33.621 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 161 | TRP | 0 | -0.040 | -0.023 | 39.790 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 162 | THR | 0 | -0.005 | -0.002 | 41.893 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 163 | LEU | 0 | 0.014 | 0.018 | 42.882 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 164 | GLY | 0 | 0.045 | 0.017 | 44.732 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 165 | PRO | 0 | -0.017 | -0.007 | 46.800 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 166 | THR | 0 | -0.050 | -0.025 | 47.842 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 167 | THR | 0 | -0.083 | -0.037 | 47.886 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 168 | HIS | 0 | 0.028 | 0.022 | 43.392 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 169 | VAL | 0 | 0.012 | 0.002 | 44.342 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 170 | THR | 0 | 0.030 | 0.004 | 41.563 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 171 | SER | 0 | -0.048 | -0.005 | 44.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 172 | ARG | 1 | 0.840 | 0.919 | 46.829 | 5.906 | 5.906 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 173 | SER | 0 | -0.015 | -0.033 | 46.064 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 174 | ALA | 0 | 0.020 | 0.022 | 40.685 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 175 | VAL | 0 | -0.027 | -0.021 | 38.912 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 176 | VAL | 0 | 0.006 | 0.022 | 38.981 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 177 | SER | 0 | 0.011 | 0.008 | 37.920 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 178 | ALA | 0 | -0.022 | -0.018 | 38.061 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 179 | VAL | 0 | 0.044 | 0.026 | 38.109 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 180 | TRP | 0 | 0.003 | -0.013 | 37.306 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 181 | HIS | 0 | 0.014 | 0.005 | 41.601 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 182 | PRO | 0 | 0.056 | 0.036 | 43.088 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 183 | LEU | 0 | 0.010 | 0.011 | 44.402 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 184 | GLY | 0 | 0.003 | 0.006 | 46.413 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 185 | VAL | 0 | 0.036 | 0.018 | 46.880 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 186 | ASN | 0 | 0.000 | -0.003 | 45.864 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 187 | GLY | 0 | 0.061 | 0.049 | 42.865 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 188 | HIS | 1 | 0.796 | 0.863 | 42.268 | 6.861 | 6.861 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 189 | ALA | 0 | 0.002 | 0.010 | 44.788 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 190 | LEU | 0 | -0.023 | -0.008 | 40.565 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 191 | VAL | 0 | 0.024 | 0.017 | 43.493 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 192 | THR | 0 | -0.044 | -0.006 | 42.252 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 193 | VAL | 0 | 0.046 | 0.012 | 42.900 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 194 | THR | 0 | -0.037 | -0.047 | 42.843 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 195 | GLU | -1 | -0.810 | -0.910 | 41.499 | -6.981 | -6.981 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 196 | ASP | -1 | -0.851 | -0.870 | 44.679 | -6.098 | -6.098 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 197 | ALA | 0 | 0.084 | 0.044 | 47.212 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 198 | ILE | 0 | -0.087 | -0.039 | 48.361 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 199 | VAL | 0 | 0.029 | 0.017 | 47.770 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 200 | ARG | 1 | 0.880 | 0.945 | 47.708 | 6.332 | 6.332 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 201 | VAL | 0 | 0.040 | 0.024 | 47.373 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 202 | TRP | 0 | 0.012 | -0.021 | 46.084 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 203 | GLU | -1 | -0.765 | -0.857 | 47.351 | -5.934 | -5.934 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 204 | LEU | 0 | -0.013 | -0.002 | 43.548 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 205 | SER | 0 | 0.062 | 0.020 | 47.586 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 206 | THR | 0 | 0.005 | -0.002 | 44.476 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 207 | ALA | 0 | -0.075 | -0.031 | 47.669 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 208 | ASP | -1 | -0.842 | -0.931 | 50.786 | -5.492 | -5.492 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 209 | ARG | 1 | 0.938 | 0.963 | 49.916 | 5.795 | 5.795 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 210 | TRP | 0 | 0.030 | 0.026 | 50.525 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 211 | THR | 0 | -0.033 | -0.016 | 49.739 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 212 | PHE | 0 | -0.011 | -0.015 | 43.733 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 213 | ASP | -1 | -0.902 | -0.950 | 47.910 | -6.003 | -6.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 214 | ALA | 0 | -0.034 | -0.027 | 50.470 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 215 | PRO | 0 | -0.030 | 0.009 | 50.055 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 216 | THR | 0 | -0.089 | -0.070 | 51.589 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 217 | LEU | 0 | -0.019 | -0.008 | 52.713 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 218 | ALA | 0 | -0.014 | -0.021 | 52.137 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 219 | ILE | 0 | 0.016 | 0.007 | 52.470 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 220 | ASP | -1 | -0.802 | -0.878 | 52.391 | -5.709 | -5.709 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 221 | LEU | 0 | 0.029 | 0.005 | 49.581 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 222 | LYS | 1 | 0.916 | 0.933 | 51.892 | 5.842 | 5.842 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 223 | LYS | 1 | 0.743 | 0.881 | 55.166 | 5.378 | 5.378 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 224 | LEU | 0 | -0.062 | -0.041 | 54.993 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 225 | ALA | 0 | 0.013 | 0.012 | 55.438 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 226 | ASP | -1 | -0.874 | -0.916 | 57.460 | -5.147 | -5.147 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 227 | ALA | 0 | -0.140 | -0.052 | 60.796 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 228 | THR | 0 | -0.044 | -0.042 | 62.806 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 229 | TYR | 0 | -0.053 | -0.045 | 65.757 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 230 | LEU | 0 | 0.007 | 0.004 | 63.408 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 231 | ASP | -1 | -0.821 | -0.884 | 63.636 | -4.603 | -4.603 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 232 | GLN | 0 | -0.015 | -0.005 | 64.186 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 233 | ASP | -1 | -0.884 | -0.940 | 61.565 | -5.072 | -5.072 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 234 | PHE | 0 | 0.055 | 0.020 | 57.816 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 235 | GLY | 0 | 0.025 | 0.040 | 57.057 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 236 | VAL | 0 | 0.008 | -0.004 | 53.369 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 237 | SER | 0 | -0.006 | 0.002 | 56.689 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 238 | THR | 0 | 0.053 | 0.003 | 55.534 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 239 | SER | 0 | -0.004 | -0.015 | 56.643 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 240 | ALA | 0 | -0.010 | 0.014 | 57.365 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 241 | THR | 0 | -0.005 | -0.003 | 54.387 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 242 | ASN | 0 | -0.026 | -0.018 | 54.064 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 243 | LYS | 1 | 0.888 | 0.947 | 50.009 | 5.902 | 5.902 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 244 | GLY | 0 | 0.009 | 0.011 | 54.934 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 245 | PHE | 0 | -0.057 | -0.045 | 55.667 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 246 | SER | 0 | -0.060 | -0.076 | 55.283 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 247 | PRO | 0 | 0.069 | 0.048 | 54.343 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 248 | ASP | -1 | -0.755 | -0.853 | 52.690 | -5.623 | -5.623 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 249 | ALA | 0 | -0.118 | -0.058 | 50.687 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 250 | PHE | 0 | 0.009 | 0.000 | 47.865 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 251 | ASP | -1 | -0.849 | -0.927 | 47.862 | -6.057 | -6.057 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 252 | MET | 0 | -0.096 | -0.045 | 49.157 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 253 | GLU | -1 | -0.883 | -0.896 | 43.521 | -6.864 | -6.864 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 254 | VAL | 0 | -0.047 | -0.037 | 42.543 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 255 | ALA | 0 | -0.004 | 0.002 | 39.412 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 256 | ALA | 0 | -0.013 | -0.024 | 37.923 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 257 | ALA | 0 | -0.017 | -0.007 | 40.003 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 258 | CYS | 0 | -0.074 | -0.012 | 39.281 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 259 | PHE | 0 | 0.023 | -0.006 | 41.205 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 260 | PRO | 0 | 0.002 | 0.010 | 41.161 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 261 | THR | 0 | 0.077 | 0.053 | 37.557 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 262 | ARG | 1 | 0.832 | 0.929 | 40.107 | 7.295 | 7.295 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 263 | ASP | -1 | -0.901 | -0.963 | 40.827 | -7.685 | -7.685 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 264 | SER | 0 | -0.040 | -0.017 | 43.231 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 265 | GLY | 0 | -0.045 | -0.031 | 45.478 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 266 | GLY | 0 | 0.070 | 0.033 | 49.172 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 267 | TRP | 0 | 0.081 | 0.015 | 51.769 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 268 | ALA | 0 | 0.055 | 0.064 | 46.496 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 269 | PRO | 0 | -0.026 | -0.019 | 46.520 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 270 | MET | 0 | -0.074 | -0.035 | 47.558 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 271 | THR | 0 | 0.032 | 0.009 | 48.227 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 272 | LEU | 0 | -0.095 | -0.038 | 44.502 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 273 | TRP | 0 | 0.104 | 0.040 | 43.996 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 274 | LEU | 0 | -0.058 | -0.049 | 44.085 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 275 | ALA | 0 | 0.072 | 0.043 | 41.450 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 276 | MET | 0 | -0.029 | 0.010 | 42.960 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 277 | THR | 0 | -0.023 | -0.053 | 40.734 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 278 | SER | 0 | -0.017 | -0.012 | 42.990 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 279 | GLY | 0 | 0.047 | 0.023 | 44.193 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 280 | ASP | -1 | -0.858 | -0.895 | 45.238 | -6.146 | -6.146 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 281 | VAL | 0 | -0.020 | -0.028 | 44.551 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 282 | TYR | 0 | -0.045 | -0.047 | 47.236 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 283 | ALA | 0 | 0.011 | 0.011 | 47.919 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 284 | LEU | 0 | -0.053 | -0.021 | 49.869 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 285 | CYS | 0 | 0.007 | 0.025 | 50.986 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 286 | PRO | 0 | 0.010 | 0.007 | 53.357 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 287 | LEU | 0 | -0.003 | -0.015 | 48.806 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 288 | LEU | 0 | 0.037 | 0.020 | 50.860 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 289 | PRO | 0 | 0.011 | 0.011 | 49.434 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 290 | GLN | 0 | -0.025 | -0.021 | 52.406 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 291 | ARG | 1 | 0.845 | 0.918 | 53.832 | 5.688 | 5.688 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 292 | TRP | 0 | -0.026 | -0.026 | 51.473 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 293 | THR | 0 | 0.033 | 0.001 | 49.497 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 294 | PRO | 0 | -0.028 | 0.009 | 49.713 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 295 | PRO | 0 | 0.035 | 0.014 | 48.098 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 296 | PRO | 0 | 0.060 | 0.004 | 50.272 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 297 | THR | 0 | -0.004 | -0.004 | 50.455 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 298 | LEU | 0 | -0.030 | 0.001 | 50.431 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 299 | ILE | 0 | 0.086 | 0.044 | 53.172 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 300 | PRO | 0 | 0.019 | 0.017 | 55.972 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 301 | SER | 0 | -0.059 | -0.028 | 54.283 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 302 | LEU | 0 | 0.038 | 0.008 | 54.277 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 303 | SER | 0 | 0.036 | 0.017 | 57.502 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 304 | ALA | 0 | -0.013 | 0.001 | 59.587 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 305 | SER | 0 | 0.020 | 0.009 | 57.695 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 306 | ILE | 0 | -0.038 | -0.013 | 59.699 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 307 | VAL | 0 | -0.013 | -0.017 | 62.251 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 308 | ALA | 0 | -0.010 | -0.003 | 62.318 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 309 | LYS | 1 | 0.919 | 0.979 | 61.006 | 5.183 | 5.183 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 310 | VAL | 0 | -0.024 | -0.025 | 64.194 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 311 | ALA | 0 | 0.006 | 0.016 | 67.487 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 312 | ALA | 0 | 0.034 | 0.028 | 65.856 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 313 | ALA | 0 | -0.021 | -0.017 | 67.369 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 314 | GLU | -1 | -1.024 | -1.012 | 69.044 | -4.352 | -4.352 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 315 | ASP | -1 | -0.948 | -0.973 | 71.112 | -4.401 | -4.401 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 316 | ASN | 0 | -0.020 | -0.002 | 69.105 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 317 | PRO | 0 | -0.033 | -0.019 | 72.255 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 318 | GLU | -1 | -1.011 | -1.011 | 71.887 | -4.372 | -4.372 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 319 | SER | 0 | -0.003 | 0.017 | 70.110 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 320 | THR | 0 | 0.021 | 0.006 | 68.376 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 321 | PRO | 0 | -0.086 | -0.068 | 70.377 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 322 | GLU | -1 | -0.809 | -0.898 | 66.915 | -4.588 | -4.588 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 323 | GLU | -1 | -0.854 | -0.926 | 65.370 | -4.840 | -4.840 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 324 | ARG | 1 | 0.944 | 0.967 | 66.486 | 4.334 | 4.334 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 325 | LEU | 0 | -0.055 | -0.018 | 66.934 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 326 | VAL | 0 | 0.028 | 0.023 | 61.466 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 327 | ALA | 0 | 0.035 | 0.023 | 63.922 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 328 | GLN | 0 | -0.009 | -0.014 | 65.555 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 329 | GLN | 0 | -0.030 | -0.018 | 63.410 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 330 | GLN | 0 | -0.037 | -0.048 | 59.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 331 | LEU | 0 | 0.018 | 0.015 | 62.896 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 332 | GLU | -1 | -0.913 | -0.970 | 65.735 | -4.637 | -4.637 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 333 | TRP | 0 | 0.007 | -0.001 | 56.354 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 334 | MET | 0 | 0.012 | 0.008 | 58.968 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 335 | SER | 0 | -0.022 | 0.001 | 62.943 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 336 | GLU | -1 | -0.801 | -0.899 | 63.338 | -4.743 | -4.743 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 337 | ILE | 0 | -0.070 | -0.032 | 58.647 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 338 | ASP | -1 | -0.868 | -0.934 | 62.488 | -4.950 | -4.950 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 339 | ASN | 0 | -0.153 | -0.073 | 65.079 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 340 | GLN | 0 | -0.017 | -0.002 | 60.800 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 341 | GLU | -1 | -0.917 | -0.951 | 63.532 | -4.898 | -4.898 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 342 | PRO | 0 | -0.033 | 0.009 | 58.249 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 343 | LYS | 1 | 0.897 | 0.937 | 58.206 | 5.180 | 5.180 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 344 | LEU | 0 | 0.039 | 0.018 | 56.113 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 345 | VAL | 0 | -0.095 | -0.057 | 52.549 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 346 | GLU | -1 | -0.895 | -0.954 | 49.584 | -6.184 | -6.184 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 347 | GLU | -1 | -0.865 | -0.907 | 44.414 | -7.024 | -7.024 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 348 | ALA | 0 | -0.077 | -0.046 | 44.660 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 349 | THR | 0 | -0.042 | -0.030 | 40.125 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 350 | GLY | 0 | 0.023 | 0.007 | 42.232 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 351 | GLU | -1 | -0.957 | -0.967 | 43.503 | -7.113 | -7.113 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 352 | ALA | 0 | -0.023 | -0.016 | 47.466 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 353 | THR | 0 | -0.015 | 0.010 | 49.460 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 354 | ILE | 0 | -0.014 | -0.017 | 49.620 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 355 | GLU | -1 | -0.855 | -0.909 | 52.635 | -5.526 | -5.526 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 356 | VAL | 0 | -0.063 | -0.032 | 52.971 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 357 | TYR | 0 | 0.008 | -0.018 | 55.310 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 358 | THR | 0 | -0.073 | -0.065 | 56.222 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 359 | ARG | 1 | 0.868 | 0.919 | 54.364 | 5.553 | 5.553 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 360 | PRO | 0 | 0.008 | 0.017 | 58.129 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 361 | SER | 0 | -0.064 | -0.043 | 60.735 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 362 | ARG | 1 | 0.765 | 0.906 | 63.253 | 4.618 | 4.618 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 363 | PRO | 0 | 0.060 | 0.012 | 62.475 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 364 | GLY | 0 | -0.010 | -0.013 | 62.642 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 365 | LEU | 0 | -0.051 | -0.016 | 58.558 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 366 | VAL | 0 | -0.027 | -0.010 | 56.367 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 367 | PRO | 0 | -0.010 | 0.021 | 54.468 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 368 | LYS | 1 | 0.915 | 0.920 | 57.005 | 5.267 | 5.267 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 369 | LEU | 0 | -0.012 | -0.004 | 51.680 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 370 | GLN | 0 | -0.067 | -0.034 | 53.309 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 371 | GLY | 0 | 0.072 | 0.038 | 52.424 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 372 | PRO | 0 | -0.029 | -0.013 | 51.575 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 373 | PHE | 0 | -0.075 | -0.058 | 49.660 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 374 | ASP | -1 | -0.902 | -0.940 | 50.810 | -5.939 | -5.939 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 375 | PHE | 0 | -0.048 | -0.024 | 46.042 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 376 | ASP | -1 | -0.780 | -0.906 | 49.701 | -5.953 | -5.953 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 377 | LEU | 0 | -0.061 | -0.039 | 49.168 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 378 | ASN | 0 | -0.016 | -0.001 | 46.514 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 379 | PRO | 0 | -0.036 | -0.020 | 43.274 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 380 | GLU | -1 | -0.949 | -0.968 | 46.378 | -6.129 | -6.129 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 381 | ASP | -1 | -0.986 | -0.999 | 46.996 | -6.375 | -6.375 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 382 | GLU | -1 | -0.773 | -0.844 | 43.093 | -7.247 | -7.247 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 383 | GLN | 0 | -0.088 | -0.052 | 41.407 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 384 | ASP | -1 | -0.873 | -0.947 | 42.820 | -6.802 | -6.802 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 385 | ASP | -1 | -0.945 | -0.986 | 37.323 | -8.042 | -8.042 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 386 | GLU | -1 | -0.884 | -0.942 | 38.483 | -7.865 | -7.865 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 387 | VAL | 0 | 0.022 | 0.034 | 40.476 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 388 | GLU | -1 | -0.777 | -0.828 | 39.478 | -7.662 | -7.662 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 389 | LEU | 0 | -0.012 | -0.002 | 39.523 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 390 | LYS | 1 | 0.740 | 0.826 | 35.254 | 8.001 | 8.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 391 | ASP | -1 | -0.822 | -0.913 | 33.910 | -8.792 | -8.792 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 392 | ILE | 0 | -0.021 | -0.011 | 36.880 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 393 | TYR | 0 | -0.041 | -0.032 | 35.469 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 394 | VAL | 0 | 0.024 | 0.006 | 38.088 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 395 | ILE | 0 | -0.017 | -0.002 | 37.069 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 396 | GLY | 0 | 0.015 | 0.007 | 40.721 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 397 | GLU | -1 | -0.918 | -0.947 | 43.751 | -6.378 | -6.378 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 398 | LYS | 1 | 0.887 | 0.929 | 41.608 | 7.483 | 7.483 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 399 | PRO | 0 | -0.020 | -0.020 | 46.280 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 400 | ARG | 1 | 0.936 | 0.976 | 48.721 | 6.017 | 6.017 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 421 | ASN | 0 | -0.029 | -0.032 | 41.935 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 422 | GLY | 0 | 0.016 | -0.012 | 41.455 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 423 | LEU | 0 | -0.007 | 0.018 | 42.938 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 424 | SER | 0 | -0.085 | -0.049 | 44.937 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 425 | LEU | 0 | 0.020 | -0.011 | 46.615 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 426 | ASN | 0 | -0.028 | -0.009 | 45.226 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 427 | ILE | 0 | -0.009 | -0.007 | 40.474 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 428 | ILE | 0 | -0.008 | 0.003 | 41.754 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 429 | CYS | 0 | -0.044 | -0.008 | 37.248 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 430 | LEU | 0 | 0.013 | 0.001 | 39.223 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 431 | LEU | 0 | -0.019 | -0.004 | 31.959 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 432 | SER | 0 | 0.054 | 0.005 | 36.493 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 433 | THR | 0 | -0.055 | -0.054 | 35.118 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 434 | SER | 0 | -0.002 | 0.004 | 33.833 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 435 | GLY | 0 | -0.043 | -0.031 | 32.022 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 436 | GLN | 0 | -0.024 | 0.000 | 32.940 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 437 | VAL | 0 | -0.022 | -0.010 | 33.082 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 438 | LYS | 1 | 0.818 | 0.880 | 36.197 | 7.198 | 7.198 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 439 | ILE | 0 | -0.032 | -0.022 | 36.506 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 440 | CYS | 0 | 0.035 | 0.018 | 40.580 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 441 | LEU | 0 | -0.035 | -0.024 | 44.013 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 442 | ASP | -1 | -0.780 | -0.895 | 46.394 | -6.151 | -6.151 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 443 | ILE | 0 | -0.051 | -0.030 | 49.138 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 444 | ASP | -1 | -0.898 | -0.942 | 51.903 | -5.645 | -5.645 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 445 | GLY | 0 | -0.026 | 0.002 | 52.218 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 446 | VAL | 0 | -0.058 | -0.031 | 50.698 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 447 | GLU | -1 | -0.838 | -0.929 | 52.977 | -5.386 | -5.386 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 448 | ALA | 0 | -0.029 | -0.016 | 55.432 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 449 | GLN | 0 | 0.051 | 0.031 | 57.217 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 450 | TRP | 0 | 0.043 | 0.025 | 58.552 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 451 | LEU | 0 | 0.017 | 0.020 | 61.131 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 452 | PRO | 0 | 0.014 | -0.004 | 63.353 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 453 | PRO | 0 | 0.074 | 0.048 | 67.087 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 454 | ARG | 1 | 0.845 | 0.870 | 68.560 | 4.516 | 4.516 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 455 | SER | 0 | -0.044 | -0.019 | 72.082 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 456 | LYS | 1 | 0.798 | 0.906 | 69.102 | 4.617 | 4.617 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 457 | ASN | 0 | 0.006 | 0.003 | 73.693 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 458 | LYS | 1 | 0.932 | 0.962 | 69.538 | 4.472 | 4.472 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 459 | ARG | 1 | 0.970 | 0.982 | 73.868 | 4.229 | 4.229 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 460 | LEU | 0 | 0.033 | 0.011 | 74.197 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 461 | PHE | 0 | -0.048 | -0.025 | 74.995 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 462 | ALA | 0 | -0.020 | -0.003 | 71.498 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 463 | PRO | 0 | 0.032 | 0.013 | 68.652 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 464 | PRO | 0 | -0.012 | 0.001 | 65.856 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 465 | PRO | 0 | -0.044 | -0.029 | 62.729 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 466 | GLU | -1 | -0.919 | -0.954 | 60.923 | -5.083 | -5.083 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 467 | PRO | 0 | -0.015 | 0.004 | 56.356 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 468 | PRO | 0 | -0.015 | -0.002 | 54.044 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 469 | SER | 0 | 0.045 | 0.031 | 52.973 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 470 | LEU | 0 | -0.049 | -0.017 | 46.442 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 471 | LEU | 0 | 0.020 | 0.021 | 48.404 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 472 | THR | 0 | -0.006 | -0.011 | 44.246 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 473 | PHE | 0 | -0.067 | -0.024 | 40.361 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 474 | GLN | 0 | -0.010 | -0.013 | 38.182 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 475 | THR | 0 | 0.058 | 0.025 | 39.323 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 476 | PHE | 0 | -0.077 | -0.033 | 32.672 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 477 | ASP | -1 | -0.833 | -0.896 | 32.911 | -8.804 | -8.804 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 478 | THR | 0 | -0.071 | -0.064 | 29.090 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 479 | LEU | 0 | -0.038 | -0.012 | 27.402 | -0.633 | -0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 480 | LYS | 1 | 0.881 | 0.919 | 24.343 | 12.248 | 12.248 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 481 | PRO | 0 | 0.135 | 0.048 | 30.130 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 482 | ALA | 0 | -0.077 | -0.037 | 28.717 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 483 | GLU | -1 | -0.852 | -0.887 | 25.137 | -11.988 | -11.988 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 484 | VAL | 0 | 0.038 | 0.047 | 28.366 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 485 | THR | 0 | -0.055 | -0.031 | 28.745 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 486 | PRO | 0 | -0.003 | -0.006 | 31.790 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 487 | ASP | -1 | -0.886 | -0.942 | 33.223 | -8.577 | -8.577 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 488 | GLY | 0 | -0.068 | -0.024 | 31.349 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 489 | TRP | 0 | 0.042 | 0.002 | 30.922 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 490 | PRO | 0 | -0.023 | -0.004 | 29.678 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 491 | MET | 0 | -0.038 | 0.016 | 27.401 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 492 | PHE | 0 | 0.046 | 0.027 | 29.901 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 493 | SER | 0 | -0.064 | -0.050 | 27.774 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 494 | GLU | -1 | -0.875 | -0.926 | 30.276 | -8.831 | -8.831 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 495 | ASP | -1 | -0.757 | -0.841 | 27.610 | -11.508 | -11.508 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 496 | ALA | 0 | -0.067 | -0.036 | 28.405 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 497 | THR | 0 | -0.022 | -0.011 | 28.409 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 498 | SER | 0 | -0.012 | -0.013 | 31.263 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 499 | PRO | 0 | 0.079 | 0.038 | 33.311 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 500 | TYR | 0 | 0.006 | 0.008 | 35.813 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 501 | SER | 0 | -0.012 | -0.002 | 30.368 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 502 | PHE | 0 | -0.012 | -0.004 | 30.513 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 503 | TYR | 0 | -0.075 | -0.075 | 24.845 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 504 | VAL | 0 | 0.044 | 0.027 | 27.567 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 505 | THR | 0 | -0.042 | -0.017 | 23.916 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 506 | HIS | 0 | 0.136 | 0.063 | 25.056 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 507 | PRO | 0 | -0.016 | -0.012 | 23.614 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 508 | ALA | 0 | 0.024 | 0.034 | 22.552 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 509 | GLY | 0 | -0.026 | -0.028 | 21.503 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 510 | ILE | 0 | -0.027 | -0.005 | 20.321 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 511 | THR | 0 | -0.015 | -0.015 | 22.983 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 512 | TYR | 0 | 0.051 | 0.034 | 24.909 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 513 | ILE | 0 | 0.020 | 0.005 | 26.599 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 514 | SER | 0 | -0.014 | -0.004 | 30.320 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 515 | LEU | 0 | 0.056 | 0.023 | 32.643 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 516 | THR | 0 | -0.046 | 0.013 | 34.209 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 517 | PRO | 0 | 0.016 | -0.017 | 35.148 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 518 | TRP | 0 | 0.007 | -0.005 | 38.207 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 519 | VAL | 0 | 0.071 | 0.027 | 39.141 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 520 | PHE | 0 | 0.012 | -0.005 | 37.492 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 521 | ARG | 1 | 0.904 | 0.958 | 39.177 | 8.036 | 8.036 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 522 | LEU | 0 | 0.063 | 0.038 | 44.529 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 523 | GLU | -1 | -0.707 | -0.819 | 45.743 | -6.397 | -6.397 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 524 | SER | 0 | -0.098 | -0.049 | 46.892 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 525 | GLU | -1 | -0.744 | -0.855 | 48.672 | -5.964 | -5.964 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 526 | LEU | 0 | -0.026 | -0.010 | 49.239 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 527 | GLN | 0 | -0.127 | -0.075 | 49.505 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 528 | SER | 0 | -0.051 | -0.009 | 53.075 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 529 | ASP | -1 | -0.937 | -0.967 | 54.326 | -5.485 | -5.485 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 530 | SER | 0 | -0.102 | -0.045 | 56.360 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 531 | GLU | -1 | -0.926 | -0.960 | 58.163 | -5.011 | -5.011 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 532 | ALA | 0 | 0.002 | 0.000 | 60.234 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 533 | GLY | 0 | -0.001 | -0.009 | 57.023 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 534 | THR | 0 | 0.048 | 0.031 | 54.956 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 535 | GLU | -1 | -0.916 | -0.959 | 54.358 | -5.610 | -5.610 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 536 | PHE | 0 | -0.055 | -0.029 | 52.680 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 537 | ARG | 1 | 0.787 | 0.834 | 50.968 | 5.873 | 5.873 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 538 | ILE | 0 | 0.040 | 0.019 | 49.721 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 539 | ASP | -1 | -0.808 | -0.872 | 49.483 | -6.438 | -6.438 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 540 | LEU | 0 | -0.046 | -0.029 | 47.270 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 541 | LEU | 0 | -0.042 | -0.009 | 44.819 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 542 | ALA | 0 | -0.004 | -0.002 | 44.622 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 543 | LYS | 1 | 0.783 | 0.880 | 45.226 | 6.327 | 6.327 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 544 | GLY | 0 | -0.044 | -0.007 | 41.990 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 545 | GLN | 0 | -0.027 | -0.030 | 35.965 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 546 | GLY | 0 | 0.000 | 0.010 | 38.265 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 547 | SER | 0 | -0.030 | -0.018 | 35.018 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 548 | GLU | -1 | -0.906 | -0.928 | 30.486 | -10.244 | -10.244 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 549 | ARG | 1 | 0.892 | 0.928 | 29.389 | 9.302 | 9.302 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 550 | ASP | -1 | -0.915 | -0.952 | 23.348 | -13.227 | -13.227 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 551 | ARG | 1 | 0.720 | 0.840 | 21.762 | 12.112 | 12.112 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 552 | ILE | 0 | 0.044 | 0.032 | 19.745 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 553 | PHE | 0 | -0.030 | -0.027 | 14.745 | -1.073 | -1.073 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 554 | THR | 0 | -0.005 | -0.008 | 17.735 | 1.096 | 1.096 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 555 | GLN | 0 | -0.064 | -0.035 | 17.525 | -1.461 | -1.461 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 556 | THR | 0 | 0.008 | -0.002 | 16.123 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 557 | ARG | 1 | 0.860 | 0.917 | 15.110 | 15.800 | 15.800 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 558 | THR | 0 | 0.012 | 0.002 | 17.944 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 559 | GLN | 0 | 0.018 | 0.008 | 20.347 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 560 | SER | 0 | 0.020 | 0.020 | 20.017 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 561 | PRO | 0 | 0.064 | 0.040 | 22.107 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 562 | LEU | 0 | -0.003 | 0.004 | 19.267 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 563 | ALA | 0 | -0.046 | -0.017 | 21.966 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 564 | ALA | 0 | 0.037 | 0.019 | 23.433 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 565 | ALA | 0 | 0.000 | 0.004 | 23.484 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 566 | THR | 0 | -0.031 | -0.006 | 23.540 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 567 | SER | 0 | -0.006 | 0.002 | 23.781 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 568 | ILE | 0 | -0.047 | -0.043 | 22.411 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 569 | ASP | -1 | -0.846 | -0.935 | 24.352 | -11.767 | -11.767 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 570 | ASP | -1 | -0.859 | -0.926 | 24.449 | -11.638 | -11.638 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 571 | PRO | 0 | 0.009 | 0.010 | 25.262 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 572 | ASP | -1 | -0.926 | -0.955 | 24.245 | -12.320 | -12.320 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 573 | LEU | 0 | -0.168 | -0.109 | 19.719 | -0.918 | -0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 574 | GLY | 0 | -0.008 | -0.003 | 20.279 | -0.947 | -0.947 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 575 | TYR | 0 | 0.015 | 0.010 | 22.230 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 576 | PHE | 0 | -0.052 | -0.040 | 18.956 | -0.819 | -0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 577 | ILE | 0 | 0.024 | 0.028 | 19.981 | 0.654 | 0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 578 | LEU | 0 | -0.023 | -0.014 | 18.260 | -0.884 | -0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 579 | SER | 0 | 0.004 | -0.023 | 18.788 | 0.626 | 0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 580 | ALA | 0 | 0.012 | -0.011 | 17.552 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 581 | THR | 0 | 0.028 | 0.021 | 15.650 | 0.884 | 0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 582 | GLN | 0 | -0.033 | -0.028 | 18.462 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 583 | THR | 0 | -0.086 | -0.062 | 14.740 | 0.632 | 0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 584 | ASP | -1 | -0.833 | -0.900 | 12.119 | -17.666 | -17.666 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 585 | PRO | 0 | -0.015 | 0.012 | 12.332 | 0.756 | 0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 586 | ILE | 0 | -0.055 | -0.027 | 13.595 | -1.024 | -1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 587 | ALA | 0 | 0.000 | -0.004 | 14.374 | 0.927 | 0.927 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 588 | LEU | 0 | -0.020 | -0.005 | 14.026 | -1.505 | -1.505 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 589 | PHE | 0 | -0.023 | -0.024 | 15.189 | 0.595 | 0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 590 | PHE | 0 | -0.021 | -0.013 | 17.823 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 591 | GLU | -1 | -0.928 | -0.956 | 20.663 | -12.266 | -12.266 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 592 | THR | 0 | -0.044 | -0.005 | 17.087 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 593 | PRO | 0 | -0.010 | 0.001 | 20.527 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |