
FMODB ID: K9873
Calculation Name: 1RXX-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1RXX
Chain ID: C
UniProt ID: P13981
Base Structure: X-ray
Registration Date: 2023-06-22
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 | OptAll |
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 | 413 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7349640.850912 |
---|---|
FMO2-HF: Nuclear repulsion | 7187732.439797 |
FMO2-HF: Total energy | -161908.411116 |
FMO2-MP2: Total energy | -162377.669124 |
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(C:6:THR)
Summations of interaction energy for
fragment #1(C:6:THR)
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. |
-6.187 | -2.294 | 0.325 | -1.838 | -2.38 | 0.005 |
Interaction energy analysis for fragmet #1(C:6:THR)
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 | C | 8 | LEU | 0 | 0.010 | 0.016 | 3.262 | -1.186 | 1.328 | 0.049 | -1.360 | -1.203 | 0.001 |
4 | C | 9 | GLY | 0 | 0.025 | 0.001 | 5.985 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | C | 10 | VAL | 0 | -0.053 | -0.012 | 6.804 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 11 | HIS | 0 | 0.015 | -0.006 | 4.974 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 12 | SER | 0 | -0.013 | -0.023 | 9.818 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 13 | GLU | -1 | -0.782 | -0.869 | 12.743 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 14 | ALA | 0 | 0.007 | -0.006 | 14.305 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 15 | GLY | 0 | 0.041 | 0.022 | 10.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 16 | LYS | 1 | 0.796 | 0.906 | 8.317 | -1.036 | -1.036 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 17 | LEU | 0 | 0.001 | 0.001 | 8.130 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 18 | ARG | 1 | 0.779 | 0.842 | 3.744 | -4.271 | -3.830 | 0.007 | -0.101 | -0.347 | 0.000 |
14 | C | 19 | LYS | 1 | 0.815 | 0.888 | 6.436 | 0.619 | 0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 20 | VAL | 0 | 0.006 | 0.006 | 8.585 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 21 | MET | 0 | 0.019 | 0.028 | 12.073 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 22 | VAL | 0 | 0.036 | 0.028 | 15.169 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 23 | CYS | 0 | -0.046 | -0.021 | 18.680 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 24 | SER | 0 | -0.005 | -0.002 | 22.153 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 25 | PRO | 0 | -0.008 | -0.011 | 24.858 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 26 | GLY | 0 | 0.018 | -0.002 | 28.490 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 27 | LEU | 0 | -0.007 | 0.001 | 30.476 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 28 | ALA | 0 | 0.016 | 0.017 | 30.816 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 29 | HIS | 0 | 0.077 | 0.016 | 28.756 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 30 | GLN | 0 | -0.080 | -0.035 | 33.857 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | C | 31 | ARG | 1 | 0.780 | 0.884 | 35.900 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 32 | LEU | 0 | 0.003 | 0.025 | 34.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 33 | THR | 0 | -0.026 | -0.027 | 38.639 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 34 | PRO | 0 | 0.034 | 0.005 | 42.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 35 | SER | 0 | -0.022 | 0.000 | 43.886 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 36 | ASN | 0 | -0.006 | -0.015 | 40.455 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 37 | CYS | 0 | -0.012 | 0.014 | 38.529 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 38 | ASP | -1 | -0.865 | -0.925 | 37.927 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 39 | GLU | -1 | -0.896 | -0.943 | 38.840 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 40 | LEU | 0 | -0.056 | -0.030 | 35.826 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 41 | LEU | 0 | -0.095 | -0.042 | 33.866 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 42 | PHE | 0 | -0.033 | -0.014 | 30.124 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 43 | ASP | -1 | -0.864 | -0.919 | 33.049 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 44 | ASP | -1 | -0.815 | -0.914 | 35.999 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 45 | VAL | 0 | -0.059 | -0.043 | 36.481 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 46 | ILE | 0 | 0.015 | 0.023 | 31.887 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 47 | TRP | 0 | 0.034 | 0.006 | 36.323 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 48 | VAL | 0 | 0.018 | -0.006 | 32.223 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 49 | ASN | 0 | -0.015 | -0.024 | 32.450 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 50 | GLN | 0 | -0.002 | 0.029 | 32.589 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 51 | ALA | 0 | 0.053 | 0.022 | 30.568 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 52 | LYS | 1 | 0.857 | 0.932 | 28.179 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 53 | ARG | 1 | 0.842 | 0.923 | 27.486 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 54 | ASP | -1 | -0.756 | -0.869 | 27.621 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 55 | HIS | 0 | 0.016 | -0.007 | 22.190 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 56 | PHE | 0 | 0.003 | 0.008 | 23.117 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 57 | ASP | -1 | -0.815 | -0.885 | 23.164 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 58 | PHE | 0 | -0.005 | -0.004 | 19.530 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 59 | VAL | 0 | 0.008 | 0.002 | 18.234 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 60 | THR | 0 | -0.057 | -0.036 | 18.337 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 61 | LYS | 1 | 0.808 | 0.878 | 19.224 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 62 | MET | 0 | -0.050 | -0.005 | 15.269 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 63 | ARG | 1 | 0.986 | 0.991 | 14.750 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 64 | GLU | -1 | -0.967 | -0.992 | 15.427 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 65 | ARG | 1 | 0.774 | 0.852 | 15.019 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 66 | GLY | 0 | -0.013 | -0.006 | 11.929 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 67 | ILE | 0 | -0.068 | -0.014 | 10.093 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 68 | ASP | -1 | -0.827 | -0.913 | 9.161 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 69 | VAL | 0 | -0.034 | -0.029 | 10.955 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 70 | LEU | 0 | 0.032 | 0.033 | 10.874 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 71 | GLU | -1 | -0.730 | -0.848 | 14.782 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 72 | MET | 0 | 0.044 | 0.011 | 18.491 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 73 | HIS | 1 | 0.872 | 0.914 | 20.198 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 74 | ASN | 0 | -0.063 | -0.024 | 19.256 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 75 | LEU | 0 | 0.082 | 0.044 | 14.507 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 76 | LEU | 0 | 0.023 | 0.011 | 18.491 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 77 | THR | 0 | -0.039 | -0.039 | 21.854 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 78 | GLU | -1 | -0.873 | -0.935 | 17.222 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 79 | THR | 0 | -0.023 | -0.024 | 19.309 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 80 | ILE | 0 | -0.060 | -0.035 | 20.934 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 81 | GLN | 0 | -0.028 | -0.009 | 23.193 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 82 | ASN | 0 | 0.006 | 0.019 | 21.879 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 83 | PRO | 0 | 0.037 | 0.000 | 24.485 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 84 | GLU | -1 | -0.859 | -0.921 | 24.850 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 85 | ALA | 0 | 0.008 | 0.005 | 22.986 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 86 | LEU | 0 | -0.006 | -0.001 | 24.927 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 87 | LYS | 1 | 0.830 | 0.896 | 27.827 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 88 | TRP | 0 | 0.008 | 0.005 | 25.000 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 89 | ILE | 0 | 0.049 | 0.022 | 24.373 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 90 | LEU | 0 | 0.006 | -0.003 | 28.337 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 91 | ASP | -1 | -0.823 | -0.895 | 31.602 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 92 | ARG | 1 | 0.753 | 0.848 | 28.540 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 93 | LYS | 1 | 0.845 | 0.931 | 29.635 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 94 | ILE | 0 | -0.044 | 0.007 | 33.344 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 95 | THR | 0 | 0.003 | -0.028 | 36.570 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 96 | ALA | 0 | -0.008 | -0.023 | 39.221 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 97 | ASP | -1 | -0.864 | -0.910 | 39.935 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 98 | SER | 0 | -0.071 | -0.038 | 36.869 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 99 | VAL | 0 | 0.003 | 0.009 | 38.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 100 | GLY | 0 | 0.058 | 0.039 | 41.122 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 101 | LEU | 0 | -0.031 | -0.049 | 44.483 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 102 | GLY | 0 | -0.027 | 0.000 | 46.577 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 103 | LEU | 0 | 0.003 | 0.011 | 43.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 104 | THR | 0 | -0.012 | -0.001 | 40.474 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 105 | SER | 0 | 0.031 | 0.018 | 40.431 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 106 | GLU | -1 | -0.788 | -0.860 | 41.598 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 107 | LEU | 0 | 0.027 | 0.016 | 37.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 108 | ARG | 1 | 0.786 | 0.855 | 33.143 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 109 | SER | 0 | -0.033 | -0.039 | 36.968 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 110 | TRP | 0 | -0.009 | 0.004 | 36.817 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 111 | LEU | 0 | 0.031 | 0.026 | 33.233 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 112 | GLU | -1 | -0.828 | -0.912 | 33.127 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 113 | SER | 0 | -0.085 | -0.040 | 34.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 114 | LEU | 0 | -0.036 | -0.007 | 33.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 115 | GLU | -1 | -0.803 | -0.886 | 30.625 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 116 | PRO | 0 | 0.054 | 0.021 | 26.491 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 117 | ARG | 1 | 0.913 | 0.936 | 26.794 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 118 | LYS | 1 | 0.904 | 0.940 | 27.814 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 119 | LEU | 0 | 0.011 | 0.022 | 29.302 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 120 | ALA | 0 | 0.043 | 0.019 | 25.329 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 121 | GLU | -1 | -0.982 | -1.000 | 27.340 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 122 | TYR | 0 | -0.058 | -0.041 | 29.370 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 123 | LEU | 0 | -0.070 | -0.022 | 27.277 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 124 | ILE | 0 | 0.008 | -0.001 | 24.156 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 125 | GLY | 0 | 0.013 | -0.012 | 28.672 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 126 | GLY | 0 | 0.054 | 0.044 | 31.947 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 127 | VAL | 0 | -0.041 | -0.025 | 34.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 128 | ALA | 0 | 0.012 | 0.007 | 37.468 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 129 | ALA | 0 | 0.031 | 0.003 | 41.063 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 130 | ASP | -1 | -0.839 | -0.921 | 43.961 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 131 | ASP | -1 | -0.772 | -0.856 | 39.012 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 132 | LEU | 0 | -0.023 | 0.005 | 40.852 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 133 | PRO | 0 | -0.024 | -0.020 | 42.379 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 134 | ALA | 0 | -0.036 | -0.018 | 45.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 135 | SER | 0 | -0.013 | -0.026 | 47.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 136 | GLU | -1 | -0.928 | -0.976 | 49.873 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 137 | GLY | 0 | 0.032 | 0.019 | 48.183 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 138 | ALA | 0 | 0.037 | 0.007 | 46.258 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 139 | ASN | 0 | 0.001 | -0.013 | 47.497 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 140 | ILE | 0 | 0.002 | 0.002 | 50.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 141 | LEU | 0 | -0.009 | 0.002 | 44.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 142 | LYS | 1 | 0.870 | 0.962 | 47.384 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 143 | MET | 0 | -0.007 | 0.010 | 50.190 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 144 | TYR | 0 | -0.008 | -0.020 | 49.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 145 | ARG | 1 | 0.730 | 0.811 | 46.302 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 146 | GLU | -1 | -0.825 | -0.898 | 50.465 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 147 | TYR | 0 | -0.081 | -0.039 | 53.666 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 148 | LEU | 0 | -0.088 | -0.042 | 52.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 149 | GLY | 0 | 0.012 | 0.022 | 51.340 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 150 | HIS | 0 | -0.027 | -0.014 | 47.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 151 | SER | 0 | 0.015 | -0.004 | 42.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 152 | SER | 0 | -0.007 | 0.014 | 44.138 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 153 | PHE | 0 | -0.047 | -0.045 | 38.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 154 | LEU | 0 | 0.007 | 0.017 | 39.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 155 | LEU | 0 | 0.006 | 0.003 | 33.327 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 156 | PRO | 0 | 0.035 | 0.014 | 35.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 157 | PRO | 0 | -0.015 | 0.018 | 33.428 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 158 | LEU | 0 | 0.004 | -0.003 | 28.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 159 | PRO | 0 | 0.020 | 0.016 | 29.030 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 160 | ASN | 0 | 0.008 | -0.024 | 28.219 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 161 | THR | 0 | -0.005 | -0.009 | 24.646 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 162 | GLN | 0 | -0.003 | 0.007 | 23.452 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 163 | PHE | 0 | -0.029 | -0.017 | 23.146 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 164 | THR | 0 | -0.001 | -0.019 | 18.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 165 | ARG | 1 | 0.787 | 0.908 | 16.505 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 166 | ASP | -1 | -0.742 | -0.824 | 19.940 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 167 | THR | 0 | 0.049 | 0.018 | 21.857 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 168 | THR | 0 | -0.026 | -0.001 | 17.403 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 169 | CYS | 0 | 0.006 | 0.038 | 16.694 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 170 | TRP | 0 | 0.031 | 0.012 | 10.146 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 171 | ILE | 0 | -0.051 | -0.033 | 12.686 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 172 | TYR | 0 | 0.028 | 0.000 | 9.861 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 173 | GLY | 0 | -0.002 | 0.011 | 8.222 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 174 | GLY | 0 | 0.024 | 0.003 | 9.143 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 175 | VAL | 0 | -0.038 | 0.001 | 12.156 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 176 | THR | 0 | -0.027 | -0.031 | 14.704 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 177 | LEU | 0 | -0.008 | -0.011 | 18.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 178 | ASN | 0 | -0.016 | -0.018 | 21.015 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 179 | PRO | 0 | 0.014 | 0.017 | 23.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 180 | MET | 0 | -0.004 | 0.008 | 25.954 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 181 | TYR | 0 | -0.014 | -0.009 | 28.489 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 182 | TRP | 0 | 0.030 | 0.010 | 31.761 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 183 | PRO | 0 | 0.024 | -0.005 | 32.370 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 184 | ALA | 0 | 0.030 | 0.021 | 32.815 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 185 | ARG | 1 | 0.821 | 0.848 | 26.503 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 186 | ARG | 1 | 0.831 | 0.926 | 28.126 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 187 | GLN | 0 | 0.052 | 0.028 | 28.080 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 188 | GLU | -1 | -0.807 | -0.868 | 25.447 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 189 | THR | 0 | 0.005 | -0.008 | 22.990 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 190 | LEU | 0 | -0.032 | 0.019 | 23.467 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 191 | LEU | 0 | 0.004 | 0.001 | 24.011 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 192 | THR | 0 | 0.022 | 0.005 | 18.497 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 193 | THR | 0 | 0.005 | -0.008 | 19.112 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 194 | ALA | 0 | -0.013 | -0.001 | 20.206 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 195 | ILE | 0 | -0.032 | -0.017 | 16.209 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 196 | TYR | 0 | -0.006 | -0.030 | 14.891 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 197 | LYS | 1 | 0.851 | 0.937 | 16.032 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 198 | PHE | 0 | -0.054 | -0.031 | 18.344 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 199 | HIS | 0 | -0.031 | -0.005 | 14.020 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 200 | PRO | 0 | -0.015 | -0.020 | 13.765 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 201 | GLU | -1 | -0.837 | -0.900 | 9.324 | -1.291 | -1.291 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 202 | PHE | 0 | -0.027 | -0.021 | 9.739 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 203 | ALA | 0 | 0.016 | 0.014 | 12.253 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 204 | ASN | 0 | -0.054 | -0.023 | 12.029 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 205 | ALA | 0 | -0.021 | 0.003 | 8.603 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 206 | GLU | -1 | -0.866 | -0.925 | 8.251 | -1.322 | -1.322 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 207 | PHE | 0 | -0.047 | -0.025 | 8.698 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 208 | GLU | -1 | -0.819 | -0.908 | 11.030 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 209 | ILE | 0 | -0.004 | -0.002 | 14.177 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 210 | TRP | 0 | -0.036 | -0.004 | 12.791 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 211 | TYR | 0 | -0.006 | -0.033 | 18.563 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 212 | GLY | 0 | 0.036 | 0.023 | 20.965 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 213 | ASP | -1 | -0.855 | -0.945 | 23.206 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 214 | PRO | 0 | -0.032 | 0.000 | 24.352 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 215 | ASP | -1 | -0.810 | -0.858 | 27.363 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 216 | LYS | 1 | 0.829 | 0.908 | 28.793 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 217 | ASP | -1 | -0.812 | -0.900 | 30.540 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 218 | HIS | 0 | 0.025 | 0.002 | 27.214 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 219 | GLY | 0 | 0.026 | 0.023 | 31.816 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 220 | SER | 0 | -0.055 | -0.035 | 34.080 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 221 | SER | 0 | -0.056 | -0.011 | 29.596 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 222 | THR | 0 | -0.022 | -0.013 | 29.192 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 223 | LEU | 0 | -0.001 | -0.015 | 22.529 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 224 | GLU | -1 | -0.775 | -0.889 | 24.855 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 225 | GLY | 0 | 0.052 | -0.006 | 21.034 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 226 | GLY | 0 | 0.043 | 0.037 | 20.926 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 227 | ASP | -1 | -0.823 | -0.888 | 23.334 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 228 | VAL | 0 | -0.033 | -0.002 | 17.988 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 229 | MET | 0 | -0.009 | 0.004 | 17.752 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 230 | PRO | 0 | 0.019 | 0.025 | 13.408 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 231 | ILE | 0 | -0.006 | -0.009 | 14.239 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 232 | GLY | 0 | 0.077 | 0.034 | 14.004 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 233 | ASN | 0 | -0.066 | -0.047 | 14.912 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 234 | GLY | 0 | 0.085 | 0.067 | 15.437 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 235 | VAL | 0 | -0.031 | -0.015 | 16.899 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 236 | VAL | 0 | 0.003 | 0.004 | 16.505 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 237 | LEU | 0 | -0.012 | 0.005 | 18.966 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 238 | ILE | 0 | 0.002 | -0.013 | 21.105 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 239 | GLY | 0 | 0.009 | 0.018 | 23.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 240 | MET | 0 | -0.048 | -0.027 | 26.770 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 241 | GLY | 0 | 0.058 | 0.026 | 29.886 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 242 | GLU | -1 | -0.796 | -0.860 | 32.562 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 243 | ARG | 1 | 0.875 | 0.951 | 29.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 244 | SER | 0 | 0.056 | 0.011 | 26.585 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 245 | SER | 0 | 0.005 | -0.022 | 28.646 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 246 | ARG | 1 | 0.998 | 0.974 | 29.435 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 247 | GLN | 0 | 0.005 | 0.003 | 30.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 248 | ALA | 0 | 0.052 | 0.047 | 26.521 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 249 | ILE | 0 | 0.008 | 0.005 | 25.326 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 250 | GLY | 0 | -0.001 | 0.005 | 25.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 251 | GLN | 0 | -0.013 | -0.016 | 26.275 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 252 | VAL | 0 | 0.006 | 0.005 | 20.375 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 253 | ALA | 0 | 0.017 | 0.007 | 21.547 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 254 | GLN | 0 | -0.027 | -0.025 | 22.691 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 255 | SER | 0 | -0.015 | -0.024 | 20.944 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 256 | LEU | 0 | -0.004 | -0.001 | 16.587 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 257 | PHE | 0 | -0.022 | -0.026 | 19.058 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 258 | ALA | 0 | -0.029 | -0.009 | 21.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 259 | LYS | 1 | 0.806 | 0.909 | 17.404 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 260 | GLY | 0 | -0.026 | -0.005 | 17.182 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 261 | ALA | 0 | -0.019 | -0.002 | 14.800 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 262 | ALA | 0 | -0.038 | -0.024 | 15.233 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 263 | GLU | -1 | -0.937 | -0.964 | 17.847 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 264 | ARG | 1 | 0.755 | 0.855 | 20.692 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 265 | VAL | 0 | 0.011 | 0.019 | 21.172 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 266 | ILE | 0 | -0.043 | -0.028 | 22.972 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 267 | VAL | 0 | 0.029 | 0.004 | 25.092 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 268 | ALA | 0 | 0.013 | 0.007 | 26.891 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 269 | GLY | 0 | -0.006 | -0.012 | 28.532 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 270 | LEU | 0 | 0.015 | 0.006 | 29.239 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 271 | PRO | 0 | 0.021 | 0.023 | 32.925 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 272 | LYS | 1 | 0.755 | 0.857 | 36.530 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 273 | SER | 0 | 0.006 | -0.001 | 36.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 274 | ARG | 1 | 0.923 | 0.936 | 39.020 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 275 | ALA | 0 | 0.035 | 0.021 | 37.419 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 276 | ALA | 0 | -0.035 | -0.015 | 33.641 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 277 | MET | 0 | 0.019 | 0.018 | 31.382 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 278 | HIS | 0 | -0.044 | -0.023 | 26.304 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 279 | LEU | 0 | 0.023 | -0.008 | 23.547 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 280 | ASP | -1 | -0.782 | -0.899 | 22.699 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 281 | THR | 0 | -0.074 | -0.018 | 24.651 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 282 | VAL | 0 | -0.004 | -0.002 | 28.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 283 | PHE | 0 | 0.035 | 0.013 | 23.075 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 284 | SER | 0 | 0.003 | -0.005 | 22.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 285 | PHE | 0 | 0.033 | 0.027 | 19.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 286 | CYS | 0 | -0.046 | -0.017 | 20.364 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 287 | ASP | -1 | -0.779 | -0.884 | 18.991 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 288 | ARG | 1 | 0.798 | 0.882 | 16.753 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 289 | ASP | -1 | -0.792 | -0.867 | 18.779 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 290 | LEU | 0 | -0.018 | 0.006 | 22.044 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 291 | VAL | 0 | -0.012 | -0.001 | 22.776 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 292 | THR | 0 | 0.028 | -0.011 | 25.094 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 293 | VAL | 0 | -0.023 | -0.025 | 27.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 294 | PHE | 0 | 0.054 | 0.046 | 30.291 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 295 | PRO | 0 | -0.041 | -0.037 | 32.908 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 296 | GLU | -1 | -0.954 | -0.976 | 35.567 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 297 | VAL | 0 | 0.027 | 0.020 | 32.949 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 298 | VAL | 0 | -0.014 | -0.018 | 30.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 299 | LYS | 1 | 0.768 | 0.869 | 33.128 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 300 | GLU | -1 | -0.899 | -0.942 | 36.097 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 301 | ILE | 0 | -0.085 | -0.020 | 29.732 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 302 | VAL | 0 | 0.008 | 0.003 | 33.354 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 303 | PRO | 0 | -0.023 | 0.001 | 30.009 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 304 | PHE | 0 | -0.012 | -0.020 | 29.792 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | C | 305 | SER | 0 | -0.070 | -0.059 | 27.419 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | C | 306 | LEU | 0 | -0.018 | -0.001 | 26.044 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | C | 307 | ARG | 1 | 0.942 | 0.958 | 25.309 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | C | 308 | PRO | 0 | 0.069 | 0.038 | 23.293 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | C | 309 | ASP | -1 | -0.833 | -0.890 | 26.235 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | C | 310 | PRO | 0 | 0.000 | -0.015 | 28.589 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | C | 311 | SER | 0 | -0.077 | -0.044 | 30.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | C | 312 | SER | 0 | -0.018 | -0.005 | 32.003 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | C | 313 | PRO | 0 | -0.010 | -0.018 | 33.204 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | C | 314 | TYR | 0 | -0.018 | -0.001 | 30.882 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | C | 315 | GLY | 0 | 0.038 | 0.023 | 28.879 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | C | 316 | MET | 0 | -0.069 | -0.007 | 26.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | C | 317 | ASN | 0 | -0.038 | -0.021 | 29.350 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | C | 318 | ILE | 0 | -0.001 | -0.007 | 29.742 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | C | 319 | ARG | 1 | 0.831 | 0.900 | 31.534 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | C | 320 | ARG | 1 | 0.837 | 0.904 | 32.131 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | C | 321 | GLU | -1 | -0.776 | -0.846 | 30.106 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | C | 322 | GLU | -1 | -0.817 | -0.893 | 33.517 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | C | 323 | LYS | 1 | 0.843 | 0.945 | 31.522 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | C | 324 | THR | 0 | 0.028 | -0.021 | 33.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | C | 325 | PHE | 0 | 0.051 | 0.012 | 25.619 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | C | 326 | LEU | 0 | 0.033 | 0.014 | 28.377 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | C | 327 | GLU | -1 | -0.838 | -0.896 | 28.065 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | C | 328 | VAL | 0 | -0.025 | -0.008 | 27.197 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | C | 329 | VAL | 0 | 0.038 | 0.024 | 22.960 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | C | 330 | ALA | 0 | -0.005 | 0.015 | 23.764 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | C | 331 | GLU | -1 | -0.818 | -0.899 | 24.429 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | C | 332 | SER | 0 | -0.112 | -0.069 | 22.761 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | C | 333 | LEU | 0 | 0.024 | 0.022 | 18.290 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | C | 334 | GLY | 0 | 0.016 | 0.016 | 20.733 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | C | 335 | LEU | 0 | -0.062 | -0.018 | 21.054 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | C | 336 | LYS | 1 | 0.937 | 0.956 | 24.613 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | C | 337 | LYS | 1 | 0.924 | 0.948 | 27.427 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | C | 338 | LEU | 0 | 0.054 | 0.046 | 23.587 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | C | 339 | ARG | 1 | 0.701 | 0.806 | 22.686 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | C | 340 | VAL | 0 | -0.008 | -0.013 | 27.038 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | C | 341 | VAL | 0 | -0.018 | -0.001 | 29.035 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | C | 342 | GLU | -1 | -0.874 | -0.922 | 30.688 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | C | 343 | THR | 0 | -0.009 | -0.011 | 31.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | C | 344 | GLY | 0 | 0.064 | 0.034 | 33.688 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | C | 345 | GLY | 0 | -0.020 | 0.006 | 35.662 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | C | 346 | ASN | 0 | 0.013 | -0.023 | 38.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | C | 347 | SER | 0 | 0.007 | 0.005 | 42.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | C | 348 | PHE | 0 | -0.075 | -0.023 | 42.919 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | C | 349 | ALA | 0 | -0.001 | -0.001 | 42.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | C | 350 | ALA | 0 | -0.064 | -0.034 | 40.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | C | 351 | GLU | -1 | -0.857 | -0.910 | 37.555 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | C | 352 | ARG | 1 | 0.812 | 0.897 | 41.336 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | C | 353 | GLU | -1 | -0.714 | -0.844 | 39.498 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | C | 354 | GLN | 0 | -0.074 | -0.059 | 39.066 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | C | 355 | TRP | 0 | -0.027 | -0.008 | 35.570 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | C | 356 | ASP | -1 | -0.797 | -0.865 | 34.441 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | C | 357 | ASP | -1 | -0.766 | -0.905 | 31.262 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | C | 358 | GLY | 0 | 0.013 | 0.005 | 28.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | C | 359 | ASN | 0 | -0.023 | -0.011 | 26.998 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | C | 360 | ASN | 0 | 0.022 | 0.006 | 24.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | C | 361 | VAL | 0 | -0.006 | 0.014 | 22.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | C | 362 | VAL | 0 | -0.009 | -0.016 | 16.625 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | C | 363 | CYS | 0 | -0.010 | 0.010 | 16.179 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | C | 364 | LEU | 0 | -0.006 | 0.004 | 14.018 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | C | 365 | GLU | -1 | -0.847 | -0.925 | 12.739 | 0.904 | 0.904 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | C | 366 | PRO | 0 | -0.001 | 0.005 | 13.382 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | C | 367 | GLY | 0 | 0.066 | 0.046 | 16.599 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | C | 368 | VAL | 0 | -0.042 | -0.009 | 17.354 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | C | 369 | VAL | 0 | 0.018 | 0.004 | 18.042 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | C | 370 | VAL | 0 | -0.007 | 0.004 | 18.893 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | C | 371 | GLY | 0 | 0.047 | 0.011 | 21.620 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | C | 372 | TYR | 0 | -0.052 | -0.041 | 25.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | C | 373 | ASP | -1 | -0.809 | -0.908 | 28.421 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | C | 374 | ARG | 1 | 0.887 | 0.930 | 31.037 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | C | 375 | ASN | 0 | -0.038 | -0.001 | 29.682 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | C | 376 | THR | 0 | -0.016 | -0.030 | 32.504 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | C | 377 | TYR | 0 | 0.064 | 0.043 | 33.882 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | C | 378 | THR | 0 | 0.020 | -0.013 | 29.912 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | C | 379 | ASN | 0 | -0.017 | -0.022 | 28.910 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | C | 380 | THR | 0 | -0.104 | -0.059 | 30.051 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | C | 381 | LEU | 0 | -0.036 | -0.013 | 32.064 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | C | 382 | LEU | 0 | 0.036 | 0.003 | 25.096 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | C | 383 | ARG | 1 | 0.887 | 0.944 | 27.459 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | C | 384 | LYS | 1 | 0.871 | 0.942 | 28.748 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | C | 385 | ALA | 0 | -0.034 | -0.009 | 28.009 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | C | 386 | GLY | 0 | -0.019 | -0.013 | 25.713 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | C | 387 | VAL | 0 | -0.020 | -0.003 | 22.110 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | C | 388 | GLU | -1 | -0.785 | -0.863 | 21.451 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | C | 389 | VAL | 0 | -0.034 | -0.014 | 22.410 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | C | 390 | ILE | 0 | 0.028 | 0.030 | 19.796 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | C | 391 | THR | 0 | -0.020 | -0.014 | 23.895 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | C | 392 | ILE | 0 | 0.002 | 0.009 | 23.731 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | C | 393 | SER | 0 | -0.012 | -0.013 | 26.988 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | C | 394 | ALA | 0 | -0.011 | -0.021 | 29.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | C | 395 | SER | 0 | -0.095 | -0.044 | 31.284 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | C | 396 | GLU | -1 | -0.815 | -0.916 | 32.110 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | C | 397 | LEU | 0 | -0.002 | -0.002 | 25.657 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | C | 398 | GLY | 0 | 0.015 | 0.031 | 28.716 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | C | 399 | ARG | 1 | 0.857 | 0.934 | 31.010 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | C | 400 | GLY | 0 | 0.077 | 0.063 | 32.642 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | C | 401 | ARG | 1 | 0.758 | 0.811 | 26.303 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | C | 402 | GLY | 0 | -0.026 | -0.009 | 27.545 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | C | 403 | GLY | 0 | 0.094 | 0.027 | 25.658 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | C | 404 | GLY | 0 | 0.008 | 0.010 | 21.976 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | C | 405 | HIS | 1 | 0.754 | 0.850 | 19.006 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | C | 406 | CYS | 0 | 0.014 | 0.003 | 20.139 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | C | 407 | MET | 0 | -0.119 | -0.045 | 21.601 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | C | 408 | THR | 0 | -0.015 | -0.025 | 16.070 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | C | 409 | CYS | 0 | -0.019 | 0.011 | 15.602 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | C | 410 | PRO | 0 | -0.033 | -0.027 | 11.296 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | C | 411 | ILE | 0 | 0.032 | 0.022 | 8.276 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | C | 412 | VAL | 0 | 0.015 | 0.006 | 2.957 | -0.932 | -0.112 | 0.270 | -0.369 | -0.721 | 0.004 |
408 | C | 413 | ARG | 1 | 0.798 | 0.890 | 6.188 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | C | 414 | ASP | -1 | -0.764 | -0.834 | 4.674 | 3.625 | 3.743 | -0.001 | -0.008 | -0.109 | 0.000 |
410 | C | 415 | PRO | 0 | 0.015 | 0.018 | 6.518 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | C | 416 | ILE | 0 | -0.019 | -0.016 | 9.524 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | C | 417 | ASP | -1 | -0.842 | -0.884 | 12.163 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | C | 418 | TYR | 0 | -0.059 | -0.045 | 14.574 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |