
FMODB ID: 5J18Z
Calculation Name: 1GSO-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1GSO
Chain ID: A
UniProt ID: P15640
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
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 | 428 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7161502.39178 |
---|---|
FMO2-HF: Nuclear repulsion | 6998904.570828 |
FMO2-HF: Total energy | -162597.820952 |
FMO2-MP2: Total energy | -163066.508517 |
3D Structure
Ligand structure

Ligand Interaction

Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:-2:GLU)
Summations of interaction energy for
fragment #1(A:-2:GLU)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
189.977 | 192.434 | 0.008 | -1.153 | -1.313 | 0 |
Interaction energy analysis for fragmet #1(A:-2:GLU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 1 | MET | 0 | -0.004 | -0.003 | 3.413 | 1.655 | 3.885 | 0.009 | -1.130 | -1.110 | 0.000 |
4 | A | 2 | LYS | 1 | 0.900 | 0.943 | 5.562 | -42.019 | -42.019 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 3 | VAL | 0 | -0.016 | -0.015 | 8.385 | -0.854 | -0.854 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 4 | LEU | 0 | -0.007 | 0.012 | 12.031 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 5 | VAL | 0 | -0.001 | -0.005 | 15.288 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 6 | ILE | 0 | 0.009 | 0.002 | 18.623 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 7 | GLY | 0 | -0.003 | -0.035 | 21.760 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 8 | ASN | 0 | -0.044 | -0.015 | 23.984 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 9 | GLY | 0 | 0.042 | 0.028 | 26.356 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 10 | GLY | 0 | 0.058 | 0.024 | 26.617 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 11 | ARG | 1 | 0.812 | 0.907 | 25.901 | -10.546 | -10.546 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 12 | GLU | -1 | -0.752 | -0.873 | 22.807 | 11.853 | 11.853 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 13 | HIS | 0 | 0.010 | 0.022 | 21.946 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 14 | ALA | 0 | -0.010 | -0.013 | 22.238 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 15 | LEU | 0 | -0.024 | -0.023 | 20.856 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 16 | ALA | 0 | 0.023 | 0.010 | 17.856 | 0.699 | 0.699 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 17 | TRP | 0 | -0.037 | -0.028 | 17.279 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 18 | LYS | 1 | 0.851 | 0.924 | 18.536 | -13.459 | -13.459 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 19 | ALA | 0 | -0.033 | -0.029 | 14.950 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 20 | ALA | 0 | 0.020 | 0.002 | 13.568 | 1.155 | 1.155 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 21 | GLN | 0 | -0.021 | 0.005 | 14.107 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 22 | SER | 0 | -0.046 | -0.035 | 12.371 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 23 | PRO | 0 | -0.009 | -0.008 | 10.452 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 24 | LEU | 0 | -0.022 | -0.016 | 7.680 | 2.131 | 2.131 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 25 | VAL | 0 | -0.052 | -0.021 | 7.043 | 3.577 | 3.577 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 26 | GLU | -1 | -0.836 | -0.889 | 4.316 | 41.823 | 42.050 | -0.001 | -0.023 | -0.203 | 0.000 |
29 | A | 27 | THR | 0 | -0.067 | -0.036 | 7.833 | -1.805 | -1.805 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 28 | VAL | 0 | -0.015 | 0.004 | 10.187 | 0.850 | 0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 29 | PHE | 0 | 0.042 | 0.017 | 10.676 | -1.232 | -1.232 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 30 | VAL | 0 | -0.010 | -0.012 | 15.266 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 31 | ALA | 0 | 0.006 | 0.044 | 18.971 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 32 | PRO | 0 | -0.042 | -0.042 | 21.383 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 33 | GLY | 0 | 0.035 | 0.009 | 22.792 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 34 | ASN | 0 | -0.049 | -0.038 | 23.631 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 35 | ALA | 0 | 0.031 | 0.017 | 24.828 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 36 | GLY | 0 | 0.007 | 0.003 | 25.619 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 37 | THR | 0 | 0.000 | -0.040 | 20.706 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 38 | ALA | 0 | -0.032 | -0.007 | 20.581 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 39 | LEU | 0 | -0.027 | -0.012 | 21.642 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 40 | GLU | -1 | -0.826 | -0.869 | 19.266 | 13.025 | 13.025 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 41 | PRO | 0 | 0.004 | -0.005 | 17.416 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 42 | ALA | 0 | 0.001 | 0.004 | 13.538 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 43 | LEU | 0 | -0.045 | -0.014 | 13.855 | 1.004 | 1.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 44 | GLN | 0 | 0.002 | 0.005 | 14.511 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 45 | ASN | 0 | -0.008 | 0.012 | 17.012 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 46 | VAL | 0 | 0.017 | 0.016 | 17.079 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 47 | ALA | 0 | -0.007 | -0.014 | 20.194 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 48 | ILE | 0 | 0.022 | 0.013 | 20.219 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 49 | GLY | 0 | 0.016 | 0.012 | 24.167 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 50 | VAL | 0 | 0.071 | 0.014 | 25.403 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 51 | THR | 0 | -0.023 | -0.010 | 26.741 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 52 | ASP | -1 | -0.888 | -0.936 | 26.093 | 11.377 | 11.377 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 53 | ILE | 0 | 0.030 | -0.008 | 24.479 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 54 | PRO | 0 | -0.009 | -0.006 | 23.348 | 0.533 | 0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 55 | ALA | 0 | 0.049 | 0.040 | 22.534 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 56 | LEU | 0 | -0.022 | -0.012 | 20.384 | 0.757 | 0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 57 | LEU | 0 | -0.017 | -0.007 | 18.594 | 0.885 | 0.885 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 58 | ASP | -1 | -0.885 | -0.944 | 17.705 | 16.865 | 16.865 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 59 | PHE | 0 | 0.025 | 0.005 | 14.864 | 0.964 | 0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 60 | ALA | 0 | 0.011 | -0.004 | 14.188 | 1.462 | 1.462 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 61 | GLN | 0 | -0.032 | -0.015 | 12.855 | 1.345 | 1.345 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 62 | ASN | 0 | -0.070 | -0.031 | 12.515 | 2.368 | 2.368 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 63 | GLU | -1 | -0.944 | -0.976 | 10.726 | 26.479 | 26.479 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 64 | LYS | 1 | 0.792 | 0.906 | 7.592 | -26.953 | -26.953 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 65 | ILE | 0 | -0.009 | 0.014 | 8.181 | 2.834 | 2.834 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 66 | ASP | -1 | -0.814 | -0.888 | 6.663 | 39.063 | 39.063 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 67 | LEU | 0 | -0.051 | -0.043 | 9.690 | -1.880 | -1.880 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 68 | THR | 0 | 0.021 | 0.021 | 13.000 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 69 | ILE | 0 | 0.004 | -0.010 | 16.429 | -0.642 | -0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 70 | VAL | 0 | -0.008 | -0.014 | 19.200 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 71 | GLY | 0 | 0.008 | 0.021 | 22.653 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 72 | PRO | 0 | -0.039 | -0.031 | 24.967 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 73 | GLU | -1 | -0.873 | -0.950 | 28.165 | 9.266 | 9.266 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 74 | ALA | 0 | 0.001 | 0.001 | 30.625 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 75 | PRO | 0 | 0.015 | 0.003 | 25.881 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 76 | LEU | 0 | -0.001 | 0.007 | 25.388 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 77 | VAL | 0 | 0.025 | 0.007 | 28.447 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 78 | LYS | 1 | 0.806 | 0.908 | 29.542 | -10.475 | -10.475 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 79 | GLY | 0 | 0.021 | 0.019 | 28.541 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 80 | VAL | 0 | 0.000 | -0.002 | 22.438 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 81 | VAL | 0 | 0.004 | 0.008 | 22.771 | 0.629 | 0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 82 | ASP | -1 | -0.826 | -0.917 | 23.154 | 11.675 | 11.675 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 83 | THR | 0 | -0.033 | -0.025 | 23.024 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 84 | PHE | 0 | 0.021 | -0.005 | 17.197 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 85 | ARG | 1 | 0.860 | 0.930 | 19.517 | -13.164 | -13.164 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 86 | ALA | 0 | -0.036 | -0.003 | 20.980 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 87 | ALA | 0 | -0.053 | -0.019 | 18.831 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 88 | GLY | 0 | -0.017 | -0.002 | 17.446 | 0.941 | 0.941 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 89 | LEU | 0 | -0.019 | -0.001 | 13.827 | 1.452 | 1.452 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 90 | LYS | 1 | 0.908 | 0.954 | 9.959 | -26.955 | -26.955 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 91 | ILE | 0 | -0.012 | -0.005 | 15.376 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 92 | PHE | 0 | 0.022 | 0.019 | 18.105 | -0.622 | -0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 93 | GLY | 0 | 0.018 | -0.001 | 20.212 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 94 | PRO | 0 | -0.013 | 0.006 | 23.892 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 95 | THR | 0 | 0.033 | 0.011 | 26.634 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 96 | ALA | 0 | 0.070 | 0.007 | 28.031 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 97 | GLY | 0 | -0.031 | -0.004 | 31.021 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 98 | ALA | 0 | 0.021 | 0.012 | 30.075 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 99 | ALA | 0 | -0.009 | -0.011 | 30.392 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 100 | GLN | 0 | -0.035 | -0.023 | 32.264 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 101 | LEU | 0 | -0.013 | -0.006 | 34.121 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 102 | GLU | -1 | -0.744 | -0.797 | 33.313 | 9.266 | 9.266 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 103 | GLY | 0 | 0.068 | 0.030 | 35.678 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 104 | SER | 0 | -0.071 | -0.025 | 37.139 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 105 | LYS | 1 | 0.923 | 0.944 | 39.541 | -7.979 | -7.979 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 106 | ALA | 0 | 0.019 | 0.010 | 43.335 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 107 | PHE | 0 | 0.051 | 0.023 | 37.997 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 108 | THR | 0 | 0.030 | -0.011 | 39.502 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 109 | LYS | 1 | 0.878 | 0.963 | 41.967 | -6.371 | -6.371 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 110 | ASP | -1 | -0.883 | -0.946 | 45.390 | 6.615 | 6.615 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 111 | PHE | 0 | -0.058 | -0.032 | 38.688 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 112 | LEU | 0 | 0.018 | 0.001 | 41.685 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 113 | ALA | 0 | 0.028 | 0.028 | 44.420 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 114 | ARG | 1 | 0.770 | 0.846 | 42.199 | -7.394 | -7.394 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 115 | HIS | 1 | 0.808 | 0.903 | 41.483 | -7.528 | -7.528 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 116 | LYS | 1 | 0.848 | 0.934 | 45.284 | -6.289 | -6.289 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 117 | ILE | 0 | 0.020 | 0.031 | 41.043 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 118 | PRO | 0 | -0.028 | -0.012 | 44.702 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 119 | THR | 0 | 0.003 | -0.011 | 45.243 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 120 | ALA | 0 | 0.003 | 0.009 | 46.963 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 121 | GLU | -1 | -0.912 | -0.964 | 49.312 | 5.829 | 5.829 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 122 | TYR | 0 | 0.020 | -0.005 | 46.050 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 123 | GLN | 0 | -0.039 | -0.018 | 52.373 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 124 | ASN | 0 | 0.021 | 0.008 | 49.348 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 125 | PHE | 0 | -0.005 | -0.009 | 53.706 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 126 | THR | 0 | -0.018 | -0.006 | 56.652 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 127 | GLU | -1 | -0.840 | -0.946 | 58.194 | 5.029 | 5.029 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 128 | VAL | 0 | 0.004 | 0.004 | 61.932 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 129 | GLU | -1 | -0.927 | -0.961 | 64.426 | 4.630 | 4.630 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 130 | PRO | 0 | -0.024 | -0.020 | 61.565 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 131 | ALA | 0 | 0.025 | 0.017 | 61.097 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 132 | LEU | 0 | 0.014 | 0.004 | 62.087 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 133 | ALA | 0 | -0.045 | -0.018 | 64.397 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 134 | TYR | 0 | 0.032 | 0.016 | 55.471 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 135 | LEU | 0 | 0.032 | 0.001 | 61.026 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 136 | ARG | 1 | 0.869 | 0.939 | 63.151 | -4.670 | -4.670 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 137 | GLU | -1 | -0.975 | -0.961 | 60.547 | 5.240 | 5.240 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 138 | LYS | 1 | 0.811 | 0.915 | 57.232 | -5.518 | -5.518 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 139 | GLY | 0 | -0.028 | -0.010 | 61.633 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 140 | ALA | 0 | -0.046 | -0.008 | 61.989 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 141 | PRO | 0 | -0.005 | -0.035 | 60.028 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 142 | ILE | 0 | -0.047 | -0.003 | 57.694 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 143 | VAL | 0 | -0.005 | -0.006 | 54.121 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 144 | ILE | 0 | 0.012 | 0.012 | 56.532 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 145 | LYS | 1 | 0.879 | 0.934 | 48.356 | -6.522 | -6.522 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 146 | ALA | 0 | 0.024 | 0.006 | 54.295 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 147 | ASP | -1 | -0.880 | -0.933 | 49.088 | 6.633 | 6.633 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 148 | GLY | 0 | 0.052 | 0.051 | 51.128 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 149 | LEU | 0 | -0.006 | -0.021 | 50.475 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 150 | ALA | 0 | -0.027 | -0.010 | 45.700 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 151 | ALA | 0 | -0.014 | -0.002 | 46.010 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 152 | GLY | 0 | 0.071 | 0.014 | 48.129 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 153 | LYS | 1 | 0.933 | 0.969 | 50.248 | -6.283 | -6.283 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 154 | GLY | 0 | -0.001 | 0.014 | 52.410 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 155 | VAL | 0 | 0.006 | -0.010 | 51.905 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 156 | ILE | 0 | -0.005 | 0.000 | 55.334 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 157 | VAL | 0 | 0.010 | 0.011 | 56.426 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 158 | ALA | 0 | -0.003 | 0.011 | 58.995 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 159 | MET | 0 | 0.009 | -0.010 | 62.151 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 160 | THR | 0 | -0.020 | -0.013 | 64.304 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 161 | LEU | 0 | 0.063 | 0.007 | 65.534 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 162 | GLU | -1 | -0.925 | -0.953 | 67.433 | 4.419 | 4.419 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 163 | GLU | -1 | -0.869 | -0.927 | 64.505 | 4.942 | 4.942 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 164 | ALA | 0 | 0.007 | -0.004 | 63.013 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 165 | GLU | -1 | -0.886 | -0.971 | 64.057 | 4.751 | 4.751 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 166 | ALA | 0 | -0.053 | -0.011 | 66.456 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 167 | ALA | 0 | 0.061 | 0.023 | 61.698 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 168 | VAL | 0 | -0.027 | -0.022 | 60.672 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 169 | HIS | 1 | 0.851 | 0.929 | 62.505 | -4.729 | -4.729 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 170 | ASP | -1 | -0.909 | -0.944 | 64.007 | 4.770 | 4.770 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 171 | MET | 0 | -0.076 | -0.042 | 57.893 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 172 | LEU | 0 | -0.018 | 0.007 | 59.038 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 173 | ALA | 0 | -0.030 | 0.014 | 61.852 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 174 | GLY | 0 | 0.013 | -0.006 | 63.703 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 175 | ASN | 0 | -0.099 | -0.056 | 63.937 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 176 | ALA | 0 | 0.142 | 0.077 | 60.614 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 177 | PHE | 0 | -0.091 | -0.049 | 59.950 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 178 | GLY | 0 | -0.022 | -0.012 | 58.155 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 179 | ASP | -1 | -0.838 | -0.919 | 55.621 | 5.819 | 5.819 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 180 | ALA | 0 | -0.025 | -0.013 | 51.916 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 181 | GLY | 0 | -0.085 | -0.042 | 52.866 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 182 | HIS | 0 | 0.041 | 0.033 | 53.819 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 183 | ARG | 1 | 0.806 | 0.880 | 49.500 | -6.312 | -6.312 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 184 | ILE | 0 | 0.011 | 0.020 | 54.773 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 185 | VAL | 0 | -0.035 | -0.018 | 50.858 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 186 | ILE | 0 | -0.013 | 0.007 | 54.052 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 187 | GLU | -1 | -0.914 | -0.971 | 50.351 | 6.353 | 6.353 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 188 | GLU | -1 | -0.750 | -0.865 | 52.451 | 5.956 | 5.956 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 189 | PHE | 0 | -0.006 | -0.011 | 53.580 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 190 | LEU | 0 | -0.003 | 0.001 | 49.563 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 191 | ASP | -1 | -0.843 | -0.908 | 52.822 | 5.728 | 5.728 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 192 | GLY | 0 | -0.014 | -0.021 | 50.523 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 193 | GLU | -1 | -0.917 | -0.956 | 46.672 | 6.620 | 6.620 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 194 | GLU | -1 | -0.917 | -0.950 | 43.713 | 7.053 | 7.053 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 195 | ALA | 0 | -0.041 | -0.026 | 40.539 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 196 | SER | 0 | -0.043 | -0.012 | 35.973 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 197 | PHE | 0 | -0.003 | -0.013 | 34.854 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 198 | ILE | 0 | -0.009 | 0.003 | 29.336 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 199 | VAL | 0 | -0.008 | 0.001 | 29.529 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 200 | MET | 0 | -0.004 | 0.004 | 20.898 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 201 | VAL | 0 | -0.005 | -0.007 | 26.215 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 202 | ASP | -1 | -0.736 | -0.862 | 23.412 | 12.417 | 12.417 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 203 | GLY | 0 | -0.004 | -0.004 | 25.103 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 204 | GLU | -1 | -0.878 | -0.926 | 27.911 | 8.923 | 8.923 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 205 | HIS | 1 | 0.773 | 0.879 | 25.561 | -11.865 | -11.865 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 206 | VAL | 0 | 0.017 | -0.002 | 28.047 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 207 | LEU | 0 | 0.019 | 0.025 | 24.121 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 208 | PRO | 0 | -0.004 | -0.022 | 27.991 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 209 | MET | 0 | -0.041 | 0.001 | 23.972 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 210 | ALA | 0 | 0.023 | 0.013 | 29.119 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 211 | THR | 0 | 0.035 | 0.020 | 31.944 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 212 | SER | 0 | 0.014 | -0.003 | 35.111 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 213 | GLN | 0 | -0.002 | 0.001 | 37.080 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 214 | ASP | -1 | -0.833 | -0.918 | 38.712 | 7.946 | 7.946 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 215 | HIS | 0 | 0.023 | 0.012 | 40.625 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 216 | LYS | 1 | 0.946 | 0.959 | 39.737 | -7.670 | -7.670 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 217 | ARG | 1 | 0.805 | 0.924 | 43.701 | -6.214 | -6.214 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 218 | VAL | 0 | 0.059 | 0.017 | 45.121 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 219 | GLY | 0 | 0.002 | 0.019 | 46.631 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 220 | ASP | -1 | -0.794 | -0.925 | 48.148 | 6.523 | 6.523 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 221 | LYS | 1 | 0.808 | 0.898 | 49.947 | -6.214 | -6.214 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 222 | ASP | -1 | -0.804 | -0.864 | 47.199 | 6.580 | 6.580 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 223 | THR | 0 | -0.003 | -0.002 | 49.941 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 224 | GLY | 0 | 0.037 | 0.021 | 50.394 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 225 | PRO | 0 | 0.020 | 0.007 | 48.965 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 226 | ASN | 0 | 0.036 | 0.005 | 45.896 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 227 | THR | 0 | 0.000 | -0.005 | 42.133 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 228 | GLY | 0 | 0.023 | 0.015 | 39.015 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 229 | GLY | 0 | -0.006 | -0.008 | 38.557 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 230 | MET | 0 | 0.011 | -0.004 | 38.746 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 231 | GLY | 0 | 0.039 | 0.003 | 38.214 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 232 | ALA | 0 | -0.022 | -0.001 | 35.831 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 233 | TYR | 0 | -0.030 | -0.021 | 36.647 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 234 | SER | 0 | -0.014 | 0.012 | 33.833 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 235 | PRO | 0 | 0.037 | 0.009 | 35.682 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 236 | ALA | 0 | 0.005 | -0.006 | 36.716 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 237 | PRO | 0 | -0.024 | -0.018 | 39.784 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 238 | VAL | 0 | 0.023 | 0.018 | 42.748 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 239 | VAL | 0 | -0.056 | -0.024 | 39.078 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 240 | THR | 0 | 0.028 | 0.015 | 40.830 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 241 | ASP | -1 | -0.851 | -0.940 | 40.487 | 7.623 | 7.623 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 242 | ASP | -1 | -0.847 | -0.916 | 42.016 | 6.701 | 6.701 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 243 | VAL | 0 | -0.015 | -0.002 | 42.606 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 244 | HIS | 0 | 0.011 | 0.018 | 34.694 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 245 | GLN | 0 | -0.012 | -0.014 | 39.522 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 246 | ARG | 1 | 0.769 | 0.859 | 41.112 | -6.534 | -6.534 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 247 | THR | 0 | -0.013 | -0.008 | 38.330 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 248 | MET | 0 | -0.013 | -0.003 | 33.455 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 249 | GLU | -1 | -0.906 | -0.940 | 38.324 | 7.260 | 7.260 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 250 | ARG | 1 | 0.876 | 0.922 | 41.248 | -6.696 | -6.696 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 251 | ILE | 0 | 0.013 | 0.004 | 38.788 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 252 | ILE | 0 | -0.007 | 0.012 | 33.939 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 253 | TRP | 0 | 0.033 | 0.011 | 31.967 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 254 | PRO | 0 | -0.021 | -0.007 | 37.082 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 255 | THR | 0 | -0.004 | -0.013 | 35.851 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 256 | VAL | 0 | 0.003 | 0.004 | 31.828 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 257 | LYS | 1 | 0.845 | 0.902 | 34.359 | -8.840 | -8.840 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 258 | GLY | 0 | -0.015 | -0.002 | 36.446 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 259 | MET | 0 | -0.030 | -0.011 | 34.332 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 260 | ALA | 0 | -0.001 | 0.006 | 33.098 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 261 | ALA | 0 | -0.042 | -0.018 | 34.491 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 262 | GLU | -1 | -0.798 | -0.858 | 37.706 | 7.472 | 7.472 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 263 | GLY | 0 | -0.019 | 0.000 | 35.183 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 264 | ASN | 0 | -0.074 | -0.035 | 33.192 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 265 | THR | 0 | 0.035 | 0.008 | 28.785 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 266 | TYR | 0 | 0.002 | -0.009 | 28.900 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 267 | THR | 0 | 0.013 | 0.005 | 24.272 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 268 | GLY | 0 | 0.020 | 0.005 | 24.107 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 269 | PHE | 0 | 0.010 | -0.009 | 22.271 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 270 | LEU | 0 | -0.006 | 0.020 | 27.146 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 271 | TYR | 0 | -0.049 | -0.035 | 30.874 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 272 | ALA | 0 | 0.010 | -0.010 | 33.213 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 273 | GLY | 0 | 0.044 | 0.034 | 36.849 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 274 | LEU | 0 | -0.023 | -0.028 | 39.527 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 275 | MET | 0 | 0.039 | 0.031 | 42.305 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 276 | ILE | 0 | -0.048 | -0.031 | 42.934 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 277 | ASP | -1 | -0.732 | -0.853 | 47.042 | 6.039 | 6.039 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 278 | LYS | 1 | 0.846 | 0.892 | 50.332 | -5.703 | -5.703 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 279 | GLN | 0 | -0.077 | -0.030 | 52.641 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 280 | GLY | 0 | 0.044 | 0.036 | 48.263 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 281 | ASN | 0 | -0.083 | -0.047 | 47.295 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 282 | PRO | 0 | -0.001 | 0.007 | 43.361 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 283 | LYS | 1 | 0.834 | 0.911 | 45.364 | -6.280 | -6.280 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 284 | VAL | 0 | 0.003 | -0.005 | 40.534 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 285 | ILE | 0 | -0.026 | 0.005 | 42.671 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 286 | GLU | -1 | -0.916 | -0.958 | 38.872 | 7.992 | 7.992 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 287 | PHE | 0 | -0.009 | -0.014 | 36.038 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 288 | ASN | 0 | -0.059 | -0.038 | 33.308 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 289 | CYS | 0 | -0.106 | -0.060 | 30.805 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 290 | ARG | 1 | 0.862 | 0.904 | 27.982 | -9.142 | -9.142 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 291 | PHE | 0 | 0.039 | 0.018 | 25.549 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 292 | GLY | 0 | 0.049 | 0.030 | 28.994 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 293 | ASP | -1 | -0.903 | -0.969 | 30.575 | 9.975 | 9.975 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 294 | LEU | 0 | 0.007 | 0.010 | 30.690 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 295 | GLU | -1 | -0.761 | -0.879 | 32.161 | 9.013 | 9.013 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 296 | THR | 0 | 0.006 | -0.022 | 26.188 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 297 | GLN | 0 | -0.033 | -0.009 | 27.995 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 298 | PRO | 0 | 0.010 | 0.001 | 28.819 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 299 | ILE | 0 | 0.001 | 0.016 | 28.122 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 300 | MET | 0 | 0.025 | 0.007 | 23.722 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 301 | LEU | 0 | -0.047 | -0.008 | 25.389 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 302 | ARG | 1 | 0.863 | 0.913 | 27.594 | -9.427 | -9.427 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 303 | MET | 0 | -0.038 | 0.014 | 21.261 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 304 | LYS | 1 | 0.878 | 0.929 | 23.435 | -11.038 | -11.038 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 305 | SER | 0 | 0.026 | 0.029 | 21.047 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 306 | ASP | -1 | -0.754 | -0.851 | 14.449 | 18.973 | 18.973 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 307 | LEU | 0 | 0.028 | -0.014 | 17.858 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 308 | VAL | 0 | 0.059 | 0.033 | 11.728 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 309 | GLU | -1 | -0.869 | -0.915 | 14.404 | 17.076 | 17.076 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 310 | LEU | 0 | 0.000 | -0.008 | 15.308 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 311 | CYS | 0 | -0.060 | -0.030 | 16.573 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 312 | LEU | 0 | 0.017 | 0.008 | 11.049 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 313 | ALA | 0 | 0.031 | 0.018 | 15.340 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 314 | ALA | 0 | -0.022 | -0.008 | 17.984 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 315 | CYS | 0 | -0.092 | -0.052 | 16.620 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 316 | GLU | -1 | -0.889 | -0.923 | 16.572 | 17.622 | 17.622 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 317 | SER | 0 | -0.079 | -0.037 | 18.953 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 318 | LYS | 1 | 0.870 | 0.929 | 17.502 | -16.785 | -16.785 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 319 | LEU | 0 | -0.025 | -0.014 | 21.975 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 320 | ASP | -1 | -0.900 | -0.963 | 23.257 | 11.343 | 11.343 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 321 | GLU | -1 | -0.955 | -0.967 | 21.322 | 13.388 | 13.388 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 322 | LYS | 1 | 0.784 | 0.882 | 17.101 | -15.586 | -15.586 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 323 | THR | 0 | 0.018 | 0.003 | 23.141 | -0.622 | -0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 324 | SER | 0 | -0.009 | -0.007 | 23.476 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 325 | GLU | -1 | -0.883 | -0.927 | 24.102 | 11.401 | 11.401 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 326 | TRP | 0 | -0.031 | -0.040 | 25.826 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 327 | ASP | -1 | -0.802 | -0.872 | 28.466 | 9.673 | 9.673 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 328 | GLU | -1 | -0.940 | -0.964 | 29.981 | 8.604 | 8.604 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 329 | ARG | 1 | 0.764 | 0.864 | 29.651 | -9.847 | -9.847 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 330 | ALA | 0 | 0.010 | 0.021 | 33.741 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 331 | SER | 0 | -0.037 | -0.047 | 32.053 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 332 | LEU | 0 | -0.057 | -0.029 | 34.678 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 333 | GLY | 0 | 0.013 | 0.009 | 34.744 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 334 | VAL | 0 | 0.003 | -0.012 | 35.571 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 335 | VAL | 0 | -0.019 | -0.008 | 35.892 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 336 | MET | 0 | -0.066 | -0.005 | 36.933 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 337 | ALA | 0 | -0.011 | -0.027 | 37.729 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 338 | ALA | 0 | 0.050 | 0.029 | 40.190 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 339 | GLY | 0 | 0.048 | 0.019 | 41.864 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 340 | GLY | 0 | 0.000 | -0.001 | 45.667 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 341 | TYR | 0 | 0.032 | 0.036 | 40.200 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 342 | PRO | 0 | -0.081 | -0.065 | 43.997 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 343 | GLY | 0 | -0.060 | -0.017 | 45.063 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 344 | ASP | -1 | -0.886 | -0.958 | 45.416 | 6.828 | 6.828 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 345 | TYR | 0 | -0.058 | -0.025 | 39.609 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 346 | ARG | 1 | 0.783 | 0.860 | 43.558 | -6.924 | -6.924 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 347 | THR | 0 | -0.075 | -0.047 | 38.425 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 348 | GLY | 0 | 0.014 | 0.002 | 38.162 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 349 | ASP | -1 | -0.827 | -0.870 | 39.163 | 7.274 | 7.274 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 350 | VAL | 0 | 0.033 | 0.012 | 36.707 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 351 | ILE | 0 | -0.070 | -0.035 | 33.875 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 352 | HIS | 0 | 0.005 | 0.005 | 35.818 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 353 | GLY | 0 | 0.038 | 0.001 | 36.634 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 354 | LEU | 0 | -0.035 | -0.010 | 30.807 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 355 | PRO | 0 | -0.020 | -0.007 | 29.482 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 356 | LEU | 0 | 0.008 | -0.006 | 28.825 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 357 | GLU | -1 | -0.960 | -0.970 | 25.478 | 11.273 | 11.273 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 358 | GLU | -1 | -0.841 | -0.893 | 23.306 | 12.329 | 12.329 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 359 | VAL | 0 | 0.001 | -0.006 | 26.050 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 360 | ALA | 0 | 0.017 | -0.002 | 26.552 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 361 | GLY | 0 | -0.012 | -0.014 | 27.754 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 362 | GLY | 0 | -0.015 | -0.015 | 29.342 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 363 | LYS | 1 | 0.820 | 0.898 | 23.318 | -12.091 | -12.091 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 364 | VAL | 0 | 0.004 | 0.005 | 28.722 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 365 | PHE | 0 | -0.005 | 0.003 | 24.426 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 366 | HIS | 0 | 0.044 | 0.032 | 27.460 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 367 | ALA | 0 | -0.020 | -0.019 | 28.307 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 368 | GLY | 0 | 0.006 | 0.012 | 30.308 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 369 | THR | 0 | -0.025 | -0.030 | 29.769 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 370 | LYS | 1 | 0.906 | 0.940 | 29.411 | -8.604 | -8.604 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 371 | LEU | 0 | 0.018 | 0.006 | 25.621 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 372 | ALA | 0 | -0.078 | -0.038 | 30.000 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 373 | ASP | -1 | -0.893 | -0.938 | 32.765 | 8.638 | 8.638 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 374 | ASP | -1 | -0.933 | -0.975 | 33.001 | 9.423 | 9.423 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 375 | GLU | -1 | -0.950 | -0.974 | 34.986 | 7.473 | 7.473 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 376 | GLN | 0 | -0.025 | -0.011 | 30.468 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 377 | VAL | 0 | -0.007 | -0.002 | 29.760 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 378 | VAL | 0 | 0.027 | 0.021 | 32.419 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 379 | THR | 0 | 0.027 | 0.002 | 33.997 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 380 | ASN | 0 | -0.037 | -0.030 | 33.065 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 381 | GLY | 0 | 0.027 | 0.005 | 34.774 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 382 | GLY | 0 | 0.017 | 0.023 | 36.862 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 383 | ARG | 1 | 0.824 | 0.917 | 34.635 | -8.709 | -8.709 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 384 | VAL | 0 | 0.019 | 0.012 | 34.499 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 385 | LEU | 0 | 0.015 | 0.013 | 31.656 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 386 | CYS | 0 | -0.003 | 0.002 | 31.840 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 387 | VAL | 0 | -0.001 | 0.023 | 31.860 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 388 | THR | 0 | -0.013 | -0.007 | 30.712 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 389 | ALA | 0 | 0.001 | 0.003 | 32.315 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 390 | LEU | 0 | 0.014 | 0.004 | 29.324 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 391 | GLY | 0 | -0.030 | -0.025 | 33.831 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 392 | HIS | 0 | -0.027 | -0.035 | 36.862 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 393 | THR | 0 | 0.012 | 0.015 | 38.760 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 394 | VAL | 0 | 0.106 | 0.040 | 40.273 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 395 | ALA | 0 | 0.017 | 0.010 | 41.387 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 396 | GLU | -1 | -0.809 | -0.881 | 38.684 | 7.855 | 7.855 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 397 | ALA | 0 | 0.053 | 0.022 | 37.230 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 398 | GLN | 0 | -0.015 | -0.015 | 38.483 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 399 | LYS | 1 | 0.868 | 0.927 | 40.994 | -6.866 | -6.866 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 400 | ARG | 1 | 0.863 | 0.927 | 36.493 | -8.008 | -8.008 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 401 | ALA | 0 | 0.038 | 0.021 | 36.492 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 402 | TYR | 0 | -0.029 | -0.055 | 37.528 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 403 | ALA | 0 | -0.031 | -0.002 | 39.435 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 404 | LEU | 0 | -0.019 | 0.004 | 32.167 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 405 | MET | 0 | -0.019 | -0.018 | 36.100 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 406 | THR | 0 | -0.080 | -0.046 | 38.045 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 407 | ASP | -1 | -0.895 | -0.950 | 37.623 | 7.700 | 7.700 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 408 | ILE | 0 | -0.067 | -0.022 | 34.421 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 409 | HIS | 0 | -0.048 | -0.022 | 38.285 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 410 | TRP | 0 | 0.069 | 0.006 | 37.053 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 411 | ASP | -1 | -0.878 | -0.938 | 41.415 | 6.770 | 6.770 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 412 | ASP | -1 | -0.887 | -0.936 | 44.223 | 6.596 | 6.596 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 413 | CYS | 0 | -0.086 | 0.001 | 41.316 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 414 | PHE | 0 | -0.009 | -0.019 | 42.659 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 415 | CYS | 0 | 0.018 | 0.024 | 41.498 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 416 | ARG | 1 | 0.785 | 0.892 | 43.105 | -6.887 | -6.887 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 417 | LYS | 1 | 0.881 | 0.934 | 43.874 | -6.715 | -6.715 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 418 | ASP | -1 | -0.775 | -0.869 | 46.193 | 6.444 | 6.444 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 419 | ILE | 0 | 0.011 | 0.021 | 39.986 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 420 | GLY | 0 | 0.073 | 0.032 | 43.179 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 421 | TRP | 0 | -0.063 | -0.044 | 43.891 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 422 | ARG | 1 | 0.971 | 0.987 | 47.401 | -6.183 | -6.183 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 423 | ALA | 0 | 0.078 | 0.044 | 44.191 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 424 | ILE | 0 | -0.068 | -0.027 | 44.202 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 425 | GLU | -1 | -0.927 | -0.946 | 47.283 | 5.869 | 5.869 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 426 | ARG | 1 | 0.789 | 0.903 | 47.380 | -6.381 | -6.381 | 0.000 | 0.000 | 0.000 | 0.000 |