FMODB ID: 49JNN
Calculation Name: 5N9J-W-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5N9J
Chain ID: W
UniProt ID: P87310
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 472 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -6829822.692104 |
---|---|
FMO2-HF: Nuclear repulsion | 6637706.631334 |
FMO2-HF: Total energy | -192116.06077 |
FMO2-MP2: Total energy | -192672.987983 |
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(W:17:SER)
Summations of interaction energy for
fragment #1(W:17:SER)
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. |
-22.224 | -16.905 | 1.245 | -3.404 | -3.161 | -0.034 |
Interaction energy analysis for fragmet #1(W:17:SER)
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 | W | 19 | ASP | -1 | -0.878 | -0.936 | 2.253 | -21.697 | -16.411 | 1.246 | -3.398 | -3.134 | -0.034 |
4 | W | 20 | PRO | 0 | -0.065 | -0.046 | 4.759 | 0.939 | 0.972 | -0.001 | -0.006 | -0.027 | 0.000 |
5 | W | 21 | GLU | -1 | -0.853 | -0.906 | 8.546 | -1.659 | -1.659 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | W | 22 | ILE | 0 | -0.078 | -0.043 | 10.667 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | W | 23 | ILE | 0 | 0.014 | -0.002 | 14.354 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | W | 24 | GLY | 0 | 0.026 | 0.011 | 17.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | W | 25 | GLY | 0 | -0.028 | -0.017 | 20.514 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | W | 26 | GLN | 0 | -0.001 | -0.013 | 22.026 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | W | 27 | ASN | 0 | -0.046 | -0.015 | 21.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | W | 28 | ASN | 0 | -0.048 | -0.014 | 24.975 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | W | 29 | PHE | 0 | 0.031 | 0.020 | 27.496 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | W | 30 | LEU | 0 | 0.019 | 0.008 | 27.044 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | W | 31 | GLU | -1 | -0.926 | -0.954 | 31.143 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | W | 32 | ASN | 0 | -0.028 | -0.032 | 34.046 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | W | 33 | ASN | 0 | 0.054 | 0.014 | 36.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | W | 34 | LEU | 0 | 0.085 | 0.022 | 40.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | W | 35 | GLN | 0 | -0.015 | 0.014 | 42.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | W | 36 | GLN | 0 | 0.028 | 0.011 | 37.568 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | W | 37 | ILE | 0 | -0.016 | 0.009 | 39.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | W | 38 | PHE | 0 | -0.003 | -0.006 | 41.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | W | 39 | GLN | 0 | 0.013 | 0.005 | 44.156 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | W | 40 | LYS | 1 | 0.962 | 0.985 | 36.300 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | W | 41 | ILE | 0 | 0.028 | -0.004 | 42.563 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | W | 42 | ILE | 0 | -0.038 | -0.009 | 44.431 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | W | 43 | GLN | 0 | -0.065 | -0.031 | 44.219 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | W | 44 | GLU | -1 | -0.978 | -0.981 | 40.081 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | W | 45 | ARG | 1 | 0.819 | 0.886 | 42.043 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | W | 46 | GLY | 0 | 0.008 | 0.028 | 47.540 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | W | 47 | PRO | 0 | -0.032 | -0.011 | 50.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | W | 48 | PHE | 0 | 0.046 | 0.007 | 48.107 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | W | 49 | ARG | 1 | 0.902 | 0.927 | 51.693 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | W | 50 | ASP | -1 | -0.850 | -0.916 | 52.559 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | W | 51 | LEU | 0 | -0.056 | -0.010 | 47.404 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | W | 52 | LYS | 1 | 0.960 | 0.986 | 50.538 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | W | 53 | GLU | -1 | -0.915 | -0.961 | 47.628 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | W | 54 | GLU | -1 | -0.921 | -0.963 | 48.447 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | W | 55 | ASP | -1 | -0.887 | -0.954 | 49.564 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | W | 56 | LEU | 0 | 0.025 | 0.017 | 43.517 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | W | 57 | GLN | 0 | 0.028 | 0.010 | 44.281 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | W | 58 | LYS | 1 | 0.928 | 0.970 | 45.375 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | W | 59 | GLU | -1 | -0.917 | -0.950 | 43.651 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | W | 60 | LEU | 0 | 0.054 | 0.007 | 39.837 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | W | 61 | GLN | 0 | -0.004 | 0.013 | 40.720 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | W | 62 | LYS | 1 | 0.888 | 0.923 | 42.215 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | W | 63 | GLU | -1 | -0.975 | -1.007 | 38.264 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | W | 64 | SER | 0 | -0.027 | -0.003 | 37.365 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | W | 65 | ILE | 0 | -0.077 | -0.018 | 37.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | W | 66 | LYS | 1 | 0.904 | 0.982 | 35.469 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | W | 84 | THR | 0 | -0.028 | -0.028 | 31.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | W | 85 | LEU | 0 | 0.051 | 0.020 | 25.450 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | W | 86 | ASP | -1 | -0.848 | -0.886 | 29.207 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | W | 87 | SER | 0 | -0.011 | -0.006 | 31.810 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | W | 88 | LYS | 1 | 0.887 | 0.922 | 33.577 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | W | 89 | ARG | 1 | 0.908 | 0.948 | 34.544 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | W | 90 | ASN | 0 | 0.042 | 0.029 | 40.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | W | 99 | MET | 0 | 0.008 | -0.015 | 55.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | W | 100 | ASP | -1 | -0.888 | -0.932 | 58.134 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | W | 101 | SER | 0 | 0.007 | -0.004 | 60.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | W | 102 | GLN | 0 | 0.027 | -0.006 | 61.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | W | 103 | ALA | 0 | 0.047 | 0.032 | 57.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | W | 104 | TYR | 0 | 0.054 | 0.022 | 59.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | W | 105 | LYS | 1 | 0.908 | 0.968 | 61.098 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | W | 106 | LYS | 1 | 0.961 | 0.967 | 54.079 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | W | 107 | GLU | -1 | -0.862 | -0.932 | 55.838 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | W | 108 | LEU | 0 | -0.044 | -0.015 | 59.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | W | 109 | ILE | 0 | -0.049 | -0.032 | 62.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | W | 110 | GLU | -1 | -0.905 | -0.954 | 55.528 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | W | 111 | GLN | 0 | 0.028 | 0.001 | 57.382 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | W | 112 | ILE | 0 | -0.053 | -0.012 | 61.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | W | 113 | MET | 0 | -0.005 | -0.009 | 62.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | W | 114 | ILE | 0 | 0.003 | 0.024 | 57.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | W | 115 | ALA | 0 | 0.011 | 0.004 | 61.503 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | W | 116 | GLN | 0 | -0.017 | -0.008 | 64.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | W | 117 | THR | 0 | 0.007 | -0.009 | 61.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | W | 118 | GLU | -1 | -0.926 | -0.948 | 60.998 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | W | 119 | CYS | 0 | -0.074 | -0.058 | 64.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | W | 120 | SER | 0 | 0.001 | 0.003 | 67.308 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | W | 121 | LEU | 0 | 0.022 | 0.018 | 62.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | W | 122 | ALA | 0 | -0.023 | -0.004 | 66.725 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | W | 123 | LEU | 0 | 0.037 | 0.017 | 68.618 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | W | 124 | ASP | -1 | -0.753 | -0.818 | 68.983 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | W | 125 | MET | 0 | -0.039 | -0.008 | 68.140 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | W | 126 | THR | 0 | -0.047 | -0.047 | 70.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | W | 127 | SER | 0 | -0.061 | -0.094 | 73.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | W | 128 | LEU | 0 | 0.025 | 0.021 | 70.684 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | W | 129 | LEU | 0 | -0.018 | 0.021 | 73.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | W | 130 | LEU | 0 | 0.019 | -0.002 | 75.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | W | 131 | SER | 0 | -0.094 | -0.058 | 76.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | W | 132 | LYS | 1 | 0.922 | 0.968 | 77.059 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | W | 133 | PHE | 0 | -0.104 | -0.052 | 77.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | W | 134 | LYS | 1 | 0.919 | 0.954 | 82.089 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | W | 135 | GLU | -1 | -0.819 | -0.918 | 82.696 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | W | 136 | ASN | 0 | -0.028 | -0.020 | 82.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | W | 137 | SER | 0 | -0.001 | 0.008 | 78.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | W | 138 | ILE | 0 | -0.016 | -0.015 | 78.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | W | 139 | GLU | -1 | -0.978 | -0.985 | 78.918 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | W | 140 | THR | 0 | -0.052 | -0.019 | 75.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | W | 141 | ILE | 0 | -0.014 | 0.009 | 72.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | W | 142 | SER | 0 | 0.028 | 0.025 | 70.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | W | 143 | PRO | 0 | -0.014 | -0.030 | 72.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | W | 144 | PHE | 0 | 0.083 | 0.031 | 64.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | W | 145 | LEU | 0 | 0.025 | 0.047 | 66.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | W | 146 | LYS | 1 | 0.945 | 0.984 | 70.117 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | W | 147 | SER | 0 | -0.127 | -0.066 | 71.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | W | 148 | THR | 0 | -0.047 | -0.043 | 66.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | W | 149 | VAL | 0 | -0.018 | -0.006 | 68.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | W | 150 | PRO | 0 | 0.008 | 0.029 | 70.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | W | 151 | PRO | 0 | 0.103 | 0.064 | 73.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | W | 152 | SER | 0 | -0.002 | -0.030 | 76.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | W | 153 | SER | 0 | -0.090 | -0.053 | 71.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | W | 154 | LEU | 0 | 0.002 | 0.002 | 68.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | W | 155 | GLN | 0 | -0.002 | -0.027 | 71.818 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | W | 156 | PHE | 0 | -0.012 | 0.003 | 72.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | W | 157 | SER | 0 | -0.001 | 0.000 | 73.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | W | 158 | ARG | 1 | 0.939 | 0.979 | 73.703 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | W | 159 | SER | 0 | 0.022 | -0.001 | 69.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | W | 160 | GLN | 0 | 0.009 | 0.006 | 69.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | W | 161 | PRO | 0 | -0.031 | -0.006 | 69.510 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | W | 162 | PRO | 0 | 0.018 | 0.012 | 64.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | W | 163 | GLU | -1 | -0.929 | -0.957 | 61.878 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | W | 164 | SER | 0 | -0.014 | -0.015 | 64.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | W | 165 | LYS | 1 | 0.992 | 0.992 | 57.808 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | W | 166 | GLU | -1 | -0.851 | -0.920 | 61.093 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | W | 167 | SER | 0 | -0.033 | -0.031 | 57.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | W | 168 | ASP | -1 | -0.910 | -0.960 | 59.513 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | W | 169 | ALA | 0 | 0.083 | 0.046 | 61.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | W | 170 | THR | 0 | -0.109 | -0.061 | 60.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | W | 171 | LEU | 0 | 0.022 | 0.018 | 58.070 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | W | 172 | ALA | 0 | 0.028 | 0.025 | 60.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | W | 173 | LYS | 1 | 0.968 | 0.974 | 64.438 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | W | 174 | CYS | 0 | -0.034 | -0.026 | 59.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | W | 175 | TRP | 0 | 0.017 | 0.007 | 58.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | W | 176 | LYS | 1 | 0.980 | 0.995 | 63.040 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | W | 177 | GLU | -1 | -0.929 | -0.965 | 64.480 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | W | 178 | LYS | 1 | 0.953 | 0.967 | 56.431 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | W | 179 | SER | 0 | -0.011 | 0.003 | 63.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | W | 180 | LEU | 0 | -0.002 | -0.001 | 65.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | W | 181 | THR | 0 | 0.003 | 0.005 | 63.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | W | 182 | SER | 0 | -0.026 | -0.009 | 63.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | W | 183 | SER | 0 | 0.019 | 0.013 | 65.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | W | 184 | CYS | 0 | 0.005 | -0.005 | 67.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | W | 185 | LYS | 1 | 0.988 | 0.992 | 60.383 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | W | 186 | PHE | 0 | -0.009 | 0.001 | 66.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | W | 187 | LEU | 0 | 0.004 | -0.012 | 67.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | W | 188 | PHE | 0 | -0.046 | -0.011 | 68.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | W | 189 | GLU | -1 | -0.866 | -0.931 | 64.184 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | W | 190 | ALA | 0 | -0.061 | -0.032 | 68.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | W | 191 | LYS | 1 | 0.987 | 0.993 | 70.761 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | W | 192 | GLU | -1 | -0.936 | -0.927 | 67.605 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | W | 193 | ARG | 1 | 0.988 | 0.985 | 68.911 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | W | 194 | LEU | 0 | -0.020 | -0.022 | 70.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | W | 195 | THR | 0 | -0.055 | -0.058 | 73.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | W | 196 | SER | 0 | 0.036 | 0.019 | 71.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | W | 197 | VAL | 0 | -0.048 | -0.017 | 73.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | W | 198 | VAL | 0 | 0.013 | -0.005 | 75.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | W | 199 | GLU | -1 | -0.973 | -0.966 | 75.485 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | W | 200 | THR | 0 | 0.033 | 0.010 | 74.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | W | 201 | GLU | -1 | -0.928 | -0.970 | 77.409 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | W | 202 | HIS | 0 | -0.029 | -0.020 | 80.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | W | 203 | GLU | -1 | -0.891 | -0.937 | 78.471 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | W | 204 | TYR | 0 | -0.002 | -0.003 | 80.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | W | 205 | TYR | 0 | -0.024 | -0.016 | 82.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | W | 206 | THR | 0 | -0.085 | -0.052 | 84.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | W | 207 | GLU | -1 | -0.889 | -0.960 | 83.846 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | W | 208 | LEU | 0 | -0.008 | -0.008 | 85.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | W | 209 | VAL | 0 | -0.056 | -0.020 | 88.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | W | 210 | LYS | 1 | 0.959 | 0.977 | 86.790 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | W | 211 | VAL | 0 | -0.020 | 0.002 | 89.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | W | 212 | LYS | 1 | 0.935 | 0.965 | 91.770 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | W | 213 | GLU | -1 | -0.955 | -0.969 | 94.195 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | W | 214 | ALA | 0 | -0.067 | -0.023 | 95.041 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | W | 215 | SER | 0 | -0.094 | -0.054 | 96.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | W | 216 | TRP | 0 | 0.012 | 0.018 | 94.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | W | 217 | PRO | 0 | -0.036 | -0.007 | 95.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | W | 218 | LEU | 0 | 0.014 | -0.023 | 90.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | W | 219 | PHE | 0 | -0.015 | -0.003 | 92.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | W | 220 | ASN | 0 | 0.025 | 0.003 | 88.784 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | W | 221 | SER | 0 | 0.016 | 0.009 | 84.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | W | 222 | GLN | 0 | 0.048 | 0.016 | 84.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | W | 223 | GLY | 0 | -0.015 | 0.006 | 83.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | W | 224 | SER | 0 | -0.045 | -0.027 | 83.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | W | 225 | ASN | 0 | -0.071 | -0.047 | 80.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | W | 226 | HIS | 0 | 0.025 | 0.035 | 78.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | W | 227 | LEU | 0 | 0.017 | 0.012 | 83.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | W | 228 | SER | 0 | -0.016 | -0.004 | 86.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | W | 229 | VAL | 0 | 0.004 | 0.017 | 88.798 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | W | 230 | GLN | 0 | 0.038 | 0.004 | 91.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | W | 231 | TYR | 0 | 0.061 | 0.034 | 90.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | W | 232 | SER | 0 | 0.017 | -0.039 | 94.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | W | 233 | CYS | 0 | -0.017 | 0.032 | 96.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | W | 234 | LEU | 0 | -0.067 | -0.009 | 99.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | W | 235 | GLY | 0 | -0.014 | -0.019 | 100.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | W | 236 | GLY | 0 | -0.004 | 0.003 | 100.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | W | 237 | ILE | 0 | -0.053 | -0.025 | 101.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | W | 238 | SER | 0 | -0.097 | -0.125 | 96.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | W | 239 | LEU | 0 | 0.023 | 0.007 | 95.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | W | 240 | GLY | 0 | -0.020 | -0.018 | 93.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | W | 241 | LEU | 0 | -0.039 | -0.042 | 90.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | W | 242 | GLY | 0 | 0.016 | 0.001 | 87.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | W | 243 | LEU | 0 | -0.026 | -0.005 | 82.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | W | 244 | ILE | 0 | 0.006 | 0.007 | 83.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | W | 245 | ARG | 1 | 0.880 | 0.940 | 76.314 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | W | 246 | MET | 0 | 0.051 | 0.023 | 76.236 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | W | 247 | LYS | 1 | 0.968 | 0.981 | 73.066 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | W | 248 | PRO | 0 | -0.007 | -0.007 | 71.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | W | 249 | GLU | -1 | -0.938 | -0.967 | 66.596 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | W | 250 | SER | 0 | -0.038 | -0.026 | 70.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | W | 251 | LYS | 1 | 0.920 | 0.979 | 73.325 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | W | 252 | SER | 0 | 0.001 | -0.001 | 75.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | W | 253 | PHE | 0 | -0.009 | -0.004 | 78.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | W | 254 | GLU | -1 | -0.883 | -0.941 | 78.275 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | W | 255 | VAL | 0 | 0.014 | 0.007 | 81.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | W | 256 | GLN | 0 | -0.028 | -0.016 | 78.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | W | 257 | SER | 0 | 0.042 | 0.014 | 83.508 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | W | 258 | SER | 0 | -0.015 | -0.014 | 84.827 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | W | 259 | LEU | 0 | 0.016 | 0.020 | 86.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | W | 260 | LEU | 0 | -0.001 | -0.012 | 84.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | W | 261 | TYR | 0 | -0.010 | -0.004 | 85.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | W | 262 | SER | 0 | -0.084 | -0.045 | 83.172 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | W | 263 | GLN | 0 | 0.040 | 0.000 | 85.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | W | 264 | ALA | 0 | 0.041 | 0.027 | 88.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | W | 265 | ALA | 0 | 0.000 | 0.010 | 91.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | W | 266 | LEU | 0 | 0.023 | 0.032 | 95.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | W | 267 | LYS | 1 | 0.900 | 0.952 | 95.139 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | W | 268 | ILE | 0 | -0.043 | -0.006 | 98.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | W | 269 | SER | 0 | 0.018 | -0.016 | 100.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | W | 270 | ILE | 0 | -0.015 | 0.006 | 102.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | W | 271 | LEU | 0 | -0.025 | 0.002 | 100.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | W | 272 | ASN | 0 | 0.115 | 0.056 | 103.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | W | 273 | LYS | 1 | 1.000 | 0.990 | 105.087 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | W | 274 | ASP | -1 | -0.944 | -0.977 | 101.815 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | W | 275 | ARG | 1 | 0.778 | 0.902 | 99.845 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | W | 276 | ASP | -1 | -0.899 | -0.931 | 99.127 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | W | 277 | GLU | -1 | -0.851 | -0.916 | 97.246 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | W | 278 | ILE | 0 | -0.071 | -0.039 | 100.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | W | 279 | GLY | 0 | -0.044 | -0.045 | 101.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | W | 280 | SER | 0 | -0.028 | -0.072 | 98.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | W | 281 | SER | 0 | -0.106 | -0.108 | 100.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | W | 282 | THR | 0 | -0.023 | -0.014 | 96.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | W | 283 | TRP | 0 | -0.027 | 0.018 | 97.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | W | 284 | SER | 0 | -0.019 | -0.015 | 96.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | W | 285 | TRP | 0 | 0.015 | 0.013 | 95.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | W | 286 | PRO | 0 | -0.017 | -0.027 | 97.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | W | 287 | SER | 0 | -0.043 | -0.008 | 94.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | W | 288 | GLN | 0 | 0.041 | 0.043 | 96.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | W | 289 | ASN | 0 | 0.005 | -0.010 | 93.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | W | 290 | CYS | 0 | -0.014 | -0.006 | 91.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | W | 291 | ASN | 0 | 0.018 | 0.011 | 90.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | W | 292 | SER | 0 | -0.001 | -0.008 | 87.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | W | 293 | VAL | 0 | 0.048 | 0.008 | 82.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | W | 294 | LEU | 0 | 0.067 | 0.041 | 84.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | W | 295 | LEU | 0 | 0.026 | 0.003 | 86.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | W | 296 | LYS | 1 | 0.908 | 0.967 | 87.272 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | W | 297 | ASP | -1 | -0.881 | -0.940 | 83.943 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | W | 298 | ILE | 0 | -0.047 | -0.020 | 87.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | W | 299 | TYR | 0 | 0.009 | -0.011 | 90.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | W | 300 | LYS | 1 | 0.972 | 1.005 | 87.455 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | W | 301 | LEU | 0 | -0.014 | -0.012 | 86.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | W | 302 | GLN | 0 | -0.024 | -0.019 | 90.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | W | 303 | GLU | -1 | -0.925 | -0.960 | 93.478 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | W | 304 | ILE | 0 | -0.038 | -0.003 | 88.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | W | 305 | LEU | 0 | 0.001 | -0.016 | 92.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | W | 306 | PHE | 0 | -0.016 | 0.012 | 94.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | W | 307 | GLU | -1 | -0.744 | -0.913 | 95.199 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | W | 308 | MET | 0 | -0.061 | -0.029 | 91.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | W | 309 | ASP | -1 | -0.708 | -0.768 | 96.052 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | W | 310 | ILE | 0 | -0.020 | -0.027 | 99.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | W | 311 | TRP | 0 | 0.028 | 0.009 | 96.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | W | 312 | ASN | 0 | -0.027 | -0.022 | 96.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | W | 313 | SER | 0 | -0.008 | -0.006 | 100.007 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | W | 314 | LEU | 0 | -0.018 | -0.029 | 102.550 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | W | 315 | LEU | 0 | 0.026 | 0.026 | 98.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | W | 316 | GLN | 0 | -0.025 | -0.011 | 102.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | W | 317 | GLU | -1 | -0.760 | -0.887 | 104.976 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | W | 318 | ALA | 0 | 0.020 | -0.004 | 104.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | W | 319 | GLN | 0 | -0.056 | -0.019 | 102.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | W | 320 | SER | 0 | -0.035 | -0.009 | 107.004 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | W | 321 | CYS | 0 | -0.110 | -0.032 | 109.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | W | 322 | GLY | 0 | 0.137 | 0.059 | 109.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | W | 323 | ASN | 0 | -0.061 | -0.027 | 110.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | W | 324 | GLN | 0 | -0.031 | -0.023 | 113.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | W | 325 | GLY | 0 | -0.018 | -0.013 | 111.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | W | 326 | VAL | 0 | -0.089 | -0.028 | 107.362 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | W | 327 | ASN | 0 | 0.032 | 0.006 | 103.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | W | 328 | PHE | 0 | 0.004 | -0.002 | 97.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | W | 329 | THR | 0 | -0.044 | -0.032 | 97.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | W | 330 | GLY | 0 | -0.012 | -0.016 | 95.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | W | 331 | ASP | -1 | -0.951 | -0.956 | 92.590 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | W | 332 | GLU | -1 | -0.850 | -0.931 | 94.901 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | W | 333 | ILE | 0 | -0.021 | 0.009 | 98.002 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | W | 334 | LEU | 0 | -0.003 | -0.015 | 101.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | W | 335 | VAL | 0 | -0.029 | -0.015 | 103.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | W | 336 | PRO | 0 | -0.005 | 0.016 | 107.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | W | 337 | ILE | 0 | 0.042 | 0.008 | 109.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | W | 338 | SER | 0 | -0.029 | 0.023 | 112.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | W | 339 | ASP | -1 | -0.926 | -0.935 | 112.978 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | W | 340 | ASP | -1 | -0.874 | -0.920 | 109.166 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | W | 341 | HIS | 0 | -0.092 | -0.057 | 107.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | W | 342 | VAL | 0 | -0.024 | -0.019 | 104.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | W | 343 | VAL | 0 | -0.019 | -0.001 | 105.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | W | 344 | ARG | 1 | 0.926 | 0.964 | 94.224 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | W | 345 | ILE | 0 | -0.019 | -0.009 | 101.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | W | 346 | THR | 0 | 0.054 | 0.007 | 94.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | W | 347 | LEU | 0 | -0.010 | 0.005 | 93.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | W | 348 | GLU | -1 | -0.891 | -0.948 | 91.834 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | W | 349 | THR | 0 | 0.003 | -0.020 | 88.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | W | 350 | SER | 0 | -0.059 | -0.020 | 84.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | W | 351 | SER | 0 | 0.059 | 0.030 | 82.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | W | 352 | LYS | 1 | 0.942 | 0.980 | 78.257 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | W | 378 | GLU | -1 | -0.897 | -0.964 | 110.334 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | W | 379 | LYS | 1 | 0.948 | 0.960 | 102.849 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | W | 380 | GLU | -1 | -0.954 | -0.965 | 106.479 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | W | 381 | LEU | 0 | 0.097 | 0.046 | 107.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | W | 382 | LEU | 0 | 0.027 | 0.028 | 105.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | W | 383 | LYS | 1 | 0.972 | 0.974 | 99.402 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | W | 384 | CYS | 0 | 0.094 | 0.065 | 105.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | W | 385 | LEU | 0 | 0.011 | 0.093 | 108.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | W | 386 | CYS | 0 | -0.031 | -0.004 | 104.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | W | 387 | ASP | -1 | -0.724 | -0.799 | 103.650 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | W | 388 | THR | 0 | -0.156 | -0.167 | 105.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | W | 389 | LEU | 0 | -0.023 | -0.014 | 106.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | W | 390 | ASN | 0 | -0.022 | -0.021 | 100.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | W | 391 | ALA | 0 | 0.029 | 0.023 | 105.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | W | 392 | ILE | 0 | -0.031 | -0.020 | 107.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | W | 393 | ALA | 0 | 0.026 | 0.000 | 105.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | W | 394 | HIS | 0 | -0.002 | -0.003 | 103.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | W | 395 | ILE | 0 | -0.032 | -0.014 | 106.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | W | 396 | LEU | 0 | -0.073 | 0.009 | 109.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | W | 397 | PHE | 0 | 0.045 | 0.058 | 102.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | W | 398 | LEU | 0 | -0.009 | -0.007 | 107.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | W | 399 | LYS | 1 | 0.877 | 0.941 | 108.134 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | W | 400 | HIS | 0 | -0.047 | -0.043 | 106.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | W | 401 | CYS | 0 | -0.028 | 0.002 | 105.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | W | 402 | ARG | 1 | 0.807 | 0.889 | 108.349 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | W | 403 | LYS | 1 | 0.841 | 0.944 | 111.412 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | W | 404 | SER | 0 | 0.035 | 0.029 | 111.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | W | 405 | ASP | -1 | -0.854 | -0.920 | 109.977 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | W | 406 | ARG | 1 | 0.899 | 0.921 | 113.631 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | W | 407 | ARG | 1 | 0.941 | 0.978 | 116.623 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | W | 408 | SER | 0 | -0.045 | -0.032 | 118.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | W | 409 | GLN | 0 | 0.051 | 0.030 | 119.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | W | 410 | GLN | 0 | 0.001 | -0.001 | 122.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | W | 411 | PRO | 0 | 0.054 | 0.040 | 125.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | W | 412 | GLU | -1 | -0.921 | -0.989 | 126.516 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | W | 413 | LEU | 0 | -0.129 | -0.047 | 122.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | W | 414 | TYR | 0 | 0.011 | 0.003 | 118.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | W | 415 | MET | 0 | 0.017 | 0.002 | 121.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | W | 416 | ALA | 0 | -0.033 | -0.004 | 116.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | W | 417 | ILE | 0 | 0.014 | 0.005 | 113.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | W | 418 | ASP | -1 | -0.867 | -0.939 | 110.144 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | W | 419 | ALA | 0 | -0.065 | -0.033 | 113.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | W | 420 | ASN | 0 | -0.020 | -0.014 | 110.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | W | 421 | ALA | 0 | -0.002 | 0.024 | 109.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | W | 422 | PRO | 0 | -0.008 | 0.021 | 106.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | W | 423 | LEU | 0 | 0.008 | -0.029 | 110.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | W | 424 | ILE | 0 | 0.042 | -0.001 | 106.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | W | 425 | LEU | 0 | 0.022 | 0.017 | 106.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | W | 426 | ARG | 1 | 0.828 | 0.902 | 110.163 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | W | 427 | PRO | 0 | -0.016 | -0.017 | 113.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | W | 428 | LEU | 0 | 0.034 | 0.029 | 109.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | W | 429 | ILE | 0 | -0.006 | 0.000 | 112.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | W | 430 | PHE | 0 | -0.024 | 0.004 | 114.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | W | 431 | TYR | 0 | 0.010 | -0.010 | 117.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | W | 432 | TYR | 0 | -0.051 | -0.086 | 114.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | W | 433 | ASN | 0 | 0.033 | 0.000 | 116.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | W | 434 | LEU | 0 | -0.004 | 0.013 | 118.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | W | 435 | ASN | 0 | -0.046 | -0.025 | 119.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | W | 436 | GLN | 0 | 0.051 | 0.022 | 117.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | W | 437 | GLU | -1 | -0.888 | -0.945 | 120.569 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | W | 438 | SER | 0 | -0.020 | -0.019 | 123.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | W | 439 | LEU | 0 | -0.047 | -0.015 | 120.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | W | 440 | GLU | -1 | -0.882 | -0.943 | 123.685 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | W | 441 | PHE | 0 | -0.008 | -0.008 | 125.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | W | 442 | GLN | 0 | 0.005 | -0.015 | 127.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | W | 443 | ARG | 1 | 0.946 | 0.973 | 119.455 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | W | 444 | TRP | 0 | 0.030 | 0.030 | 127.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | W | 445 | LEU | 0 | -0.024 | -0.015 | 130.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | W | 446 | LYS | 1 | 0.918 | 0.959 | 129.170 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | W | 447 | GLN | 0 | -0.039 | -0.022 | 129.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | W | 448 | ARG | 1 | 0.893 | 0.957 | 131.557 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | W | 449 | ASP | -1 | -0.959 | -0.963 | 134.576 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | W | 450 | ILE | 0 | 0.038 | 0.034 | 135.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | W | 451 | SER | 0 | -0.029 | -0.020 | 136.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | W | 452 | PHE | 0 | 0.011 | -0.014 | 130.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | W | 453 | LYS | 1 | 0.869 | 0.935 | 134.540 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | W | 454 | PHE | 0 | 0.056 | 0.026 | 126.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | W | 455 | MET | 0 | -0.058 | -0.028 | 131.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | W | 456 | PRO | 0 | 0.016 | 0.027 | 127.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | W | 457 | ASN | 0 | -0.004 | -0.014 | 128.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | W | 458 | TYR | 0 | 0.013 | 0.015 | 123.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | W | 459 | PRO | 0 | 0.037 | 0.021 | 122.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | W | 460 | TRP | 0 | 0.028 | -0.013 | 119.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | W | 461 | GLU | -1 | -0.933 | -0.959 | 121.580 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | W | 462 | LYS | 1 | 0.882 | 0.953 | 123.918 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | W | 463 | ALA | 0 | -0.060 | -0.025 | 120.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | W | 464 | LYS | 1 | 0.958 | 0.970 | 122.400 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | W | 465 | ASP | -1 | -0.873 | -0.943 | 118.278 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | W | 466 | PHE | 0 | 0.066 | 0.013 | 112.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | W | 467 | LEU | 0 | 0.004 | 0.013 | 115.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | W | 468 | GLU | -1 | -0.887 | -0.931 | 116.770 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | W | 469 | LEU | 0 | 0.015 | 0.010 | 114.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | W | 470 | GLU | -1 | -0.793 | -0.890 | 112.434 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | W | 471 | ASN | 0 | -0.050 | -0.039 | 116.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | W | 472 | SER | 0 | -0.022 | 0.000 | 119.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | W | 473 | LEU | 0 | 0.027 | 0.009 | 114.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | W | 474 | SER | 0 | -0.092 | -0.051 | 116.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | W | 475 | ILE | 0 | -0.051 | 0.006 | 117.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | W | 476 | ASN | 0 | 0.035 | 0.008 | 121.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | W | 477 | ARG | 1 | 0.896 | 0.931 | 122.900 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | W | 478 | LEU | 0 | 0.011 | 0.021 | 123.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | W | 479 | SER | 0 | -0.033 | -0.018 | 127.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | W | 480 | ILE | 0 | 0.023 | 0.018 | 126.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | W | 481 | SER | 0 | -0.018 | -0.028 | 130.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | W | 482 | TRP | 0 | 0.039 | 0.039 | 128.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | W | 483 | ARG | 1 | 0.902 | 0.935 | 134.819 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | W | 484 | ILE | 0 | 0.028 | 0.013 | 135.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | W | 485 | MET | 0 | -0.052 | -0.026 | 138.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | W | 486 | VAL | 0 | 0.080 | 0.058 | 140.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | W | 487 | SER | 0 | 0.000 | -0.018 | 142.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | W | 488 | ASN | 0 | -0.027 | -0.011 | 145.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | W | 489 | PHE | 0 | 0.000 | -0.007 | 147.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | W | 490 | GLU | -1 | -0.928 | -0.945 | 146.865 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | W | 491 | PRO | 0 | -0.034 | -0.003 | 147.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | W | 492 | ALA | 0 | -0.053 | -0.038 | 142.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | W | 493 | ILE | 0 | 0.037 | 0.023 | 140.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | W | 494 | PHE | 0 | -0.032 | -0.034 | 139.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | W | 495 | ILE | 0 | 0.018 | 0.011 | 134.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | W | 496 | GLN | 0 | -0.056 | -0.019 | 134.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | W | 497 | HIS | 0 | -0.004 | 0.006 | 126.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | W | 498 | THR | 0 | -0.026 | -0.031 | 129.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | W | 499 | PRO | 0 | -0.003 | 0.003 | 124.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | W | 500 | THR | 0 | -0.062 | -0.018 | 124.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | W | 501 | LEU | 0 | 0.024 | 0.006 | 117.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | W | 502 | HIS | 0 | 0.019 | -0.002 | 118.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | W | 503 | GLY | 0 | 0.000 | 0.002 | 120.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | W | 504 | THR | 0 | 0.040 | 0.003 | 123.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | W | 505 | ASP | -1 | -0.834 | -0.907 | 125.877 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | W | 506 | LYS | 1 | 0.925 | 0.972 | 128.257 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | W | 507 | SER | 0 | -0.082 | -0.056 | 129.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | W | 508 | VAL | 0 | 0.021 | 0.034 | 127.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | W | 509 | TRP | 0 | 0.036 | 0.026 | 127.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | W | 510 | ARG | 1 | 0.924 | 0.968 | 132.910 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | W | 511 | CYS | 0 | 0.003 | 0.002 | 136.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | W | 512 | LYS | 1 | 0.940 | 0.976 | 139.046 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | W | 513 | ASP | -1 | -0.777 | -0.886 | 142.288 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | W | 514 | GLN | 0 | 0.001 | 0.005 | 145.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | W | 515 | TYR | 0 | -0.017 | -0.019 | 148.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | W | 516 | SER | 0 | 0.006 | 0.013 | 145.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | W | 517 | SER | 0 | -0.035 | -0.010 | 142.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | W | 518 | ASN | 0 | 0.015 | 0.002 | 140.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | W | 519 | GLN | 0 | 0.011 | 0.006 | 135.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | W | 520 | PHE | 0 | -0.003 | -0.007 | 133.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | W | 521 | SER | 0 | 0.002 | -0.005 | 129.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | W | 522 | SER | 0 | 0.049 | 0.024 | 128.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | W | 523 | LEU | 0 | 0.098 | 0.054 | 126.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | W | 524 | LYS | 1 | 1.010 | 0.990 | 127.310 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | W | 525 | ASN | 0 | -0.016 | 0.005 | 130.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | W | 526 | VAL | 0 | 0.037 | -0.003 | 132.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | W | 527 | CYS | 0 | -0.088 | -0.030 | 132.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | W | 528 | GLN | 0 | 0.042 | 0.007 | 134.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | W | 529 | TYR | 0 | -0.022 | -0.003 | 136.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | W | 530 | ILE | 0 | 0.007 | -0.006 | 135.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | W | 531 | GLU | -1 | -0.931 | -0.969 | 136.608 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | W | 532 | HIS | 0 | -0.047 | -0.024 | 139.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | W | 533 | HIS | 0 | -0.100 | -0.073 | 141.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | W | 534 | ILE | 0 | -0.043 | -0.008 | 141.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | W | 535 | ASN | 0 | 0.062 | 0.027 | 143.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | W | 536 | SER | 0 | -0.059 | -0.019 | 145.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | W | 537 | LEU | 0 | 0.000 | -0.014 | 142.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | W | 538 | SER | 0 | -0.061 | -0.005 | 140.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |