FMODB ID: YYLN2
Calculation Name: 3QK7-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3QK7
Chain ID: A
UniProt ID: A0A0H2
Base Structure: X-ray
Registration Date: 2023-06-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 280 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3699081.980346 |
---|---|
FMO2-HF: Nuclear repulsion | 3592346.529012 |
FMO2-HF: Total energy | -106735.451333 |
FMO2-MP2: Total energy | -107049.275904 |
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:5:ARG)
Summations of interaction energy for
fragment #1(A:5:ARG)
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. |
-287.546 | -275.112 | 17.5 | -14.177 | -15.758 | -0.146 |
Interaction energy analysis for fragmet #1(A:5:ARG)
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 | 7 | ASP | -1 | -0.879 | -0.942 | 2.794 | -70.204 | -63.049 | 0.952 | -3.923 | -4.184 | -0.026 |
4 | A | 8 | ALA | 0 | 0.002 | 0.018 | 4.532 | 6.042 | 6.140 | -0.001 | -0.015 | -0.082 | 0.000 |
5 | A | 9 | ILE | 0 | -0.007 | -0.009 | 6.398 | -3.060 | -3.060 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 10 | ALA | 0 | 0.011 | 0.019 | 9.359 | 2.761 | 2.761 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 11 | LEU | 0 | 0.010 | 0.009 | 12.441 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 12 | ALA | 0 | -0.003 | 0.000 | 15.373 | 0.865 | 0.865 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 13 | TYR | 0 | -0.005 | -0.010 | 17.994 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 14 | PRO | 0 | 0.030 | 0.029 | 21.560 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 15 | SER | 0 | 0.008 | -0.013 | 24.855 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 16 | ARG | 1 | 0.721 | 0.831 | 27.576 | 10.294 | 10.294 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 17 | PRO | 0 | 0.054 | 0.023 | 28.875 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 18 | ARG | 1 | 1.032 | 0.982 | 30.988 | 9.010 | 9.010 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 19 | VAL | 0 | -0.004 | 0.012 | 31.458 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 20 | LEU | 0 | 0.045 | 0.023 | 28.927 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 21 | ASN | 0 | -0.095 | -0.036 | 26.541 | -0.660 | -0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 22 | ASN | 0 | 0.040 | 0.020 | 28.731 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 23 | SER | 0 | 0.059 | 0.020 | 28.552 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 24 | THR | 0 | 0.081 | 0.038 | 27.857 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 25 | PHE | 0 | -0.004 | 0.002 | 22.072 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 26 | LEU | 0 | 0.018 | 0.003 | 24.005 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 27 | GLU | -1 | -0.838 | -0.916 | 24.047 | -12.400 | -12.400 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 28 | MET | 0 | -0.012 | -0.011 | 20.656 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 29 | ILE | 0 | -0.008 | -0.003 | 19.278 | -0.832 | -0.832 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 30 | SER | 0 | -0.039 | -0.033 | 19.218 | -0.715 | -0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 31 | TRP | 0 | -0.032 | -0.031 | 19.854 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 32 | ILE | 0 | -0.019 | 0.001 | 14.747 | -0.705 | -0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 33 | GLY | 0 | 0.019 | 0.008 | 15.147 | -1.370 | -1.370 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 34 | ILE | 0 | -0.015 | -0.003 | 15.105 | -0.912 | -0.912 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 35 | GLU | -1 | -0.832 | -0.905 | 15.897 | -17.602 | -17.602 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 36 | LEU | 0 | 0.018 | 0.011 | 9.891 | -0.816 | -0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 37 | GLY | 0 | 0.054 | 0.042 | 11.243 | -1.624 | -1.624 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 38 | LYS | 1 | 0.724 | 0.833 | 13.434 | 16.339 | 16.339 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 39 | ARG | 1 | 0.631 | 0.711 | 9.109 | 30.220 | 30.220 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 40 | GLY | 0 | -0.013 | -0.001 | 9.074 | -3.014 | -3.014 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 41 | LEU | 0 | -0.008 | 0.009 | 4.866 | -2.284 | -2.284 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 42 | ASP | -1 | -0.895 | -0.939 | 8.589 | -22.511 | -22.511 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 43 | LEU | 0 | -0.038 | -0.027 | 10.398 | -1.371 | -1.371 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 44 | LEU | 0 | -0.050 | -0.023 | 11.451 | 1.832 | 1.832 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 45 | LEU | 0 | 0.001 | -0.004 | 14.081 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 46 | ILE | 0 | -0.015 | -0.022 | 15.800 | 0.470 | 0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 47 | PRO | 0 | 0.007 | 0.011 | 18.684 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 48 | ASP | -1 | -0.851 | -0.939 | 22.333 | -13.114 | -13.114 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 49 | GLU | -1 | -0.923 | -0.954 | 23.757 | -11.175 | -11.175 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 50 | PRO | 0 | -0.047 | -0.033 | 26.759 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 51 | GLY | 0 | -0.011 | -0.021 | 29.610 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 52 | GLU | -1 | -0.806 | -0.852 | 26.153 | -10.384 | -10.384 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 53 | LYS | 1 | 0.897 | 0.947 | 25.712 | 11.331 | 11.331 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 54 | TYR | 0 | 0.031 | 0.020 | 20.305 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 55 | GLN | 0 | 0.086 | 0.037 | 20.318 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 56 | SER | 0 | 0.029 | 0.017 | 18.388 | -0.540 | -0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 57 | LEU | 0 | 0.049 | 0.026 | 15.968 | -0.929 | -0.929 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 58 | ILE | 0 | -0.010 | 0.006 | 15.295 | -1.194 | -1.194 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 59 | HIS | 0 | 0.014 | 0.017 | 15.405 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 60 | LEU | 0 | 0.002 | -0.014 | 11.613 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 61 | VAL | 0 | -0.041 | -0.020 | 11.229 | -1.546 | -1.546 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 62 | GLU | -1 | -0.978 | -0.989 | 11.789 | -16.417 | -16.417 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 63 | THR | 0 | -0.106 | -0.063 | 11.180 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 64 | ARG | 1 | 0.940 | 0.970 | 5.545 | 28.466 | 28.466 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 65 | ARG | 1 | 0.919 | 0.962 | 6.723 | 19.012 | 19.012 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 66 | VAL | 0 | 0.006 | 0.001 | 7.044 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 67 | ASP | -1 | -0.758 | -0.837 | 1.789 | -101.320 | -99.901 | 10.819 | -6.254 | -5.985 | -0.074 |
64 | A | 68 | ALA | 0 | -0.006 | -0.002 | 5.046 | 0.386 | 0.460 | -0.001 | -0.002 | -0.071 | 0.000 |
65 | A | 69 | LEU | 0 | -0.017 | -0.021 | 7.402 | 2.078 | 2.078 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 70 | ILE | 0 | 0.003 | 0.012 | 11.080 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 71 | VAL | 0 | -0.008 | -0.004 | 13.699 | 0.947 | 0.947 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 72 | ALA | 0 | 0.030 | 0.019 | 16.955 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 73 | HIS | 0 | -0.019 | -0.016 | 20.240 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 74 | THR | 0 | 0.009 | 0.019 | 21.233 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 75 | GLN | 0 | -0.002 | 0.001 | 23.115 | 0.757 | 0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 76 | PRO | 0 | 0.053 | 0.013 | 25.134 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 77 | GLU | -1 | -0.843 | -0.922 | 26.351 | -11.500 | -11.500 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 78 | ASP | -1 | -0.820 | -0.890 | 21.719 | -13.803 | -13.803 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 79 | PHE | 0 | 0.046 | 0.002 | 22.648 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 80 | ARG | 1 | 0.802 | 0.888 | 19.388 | 14.121 | 14.121 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 81 | LEU | 0 | 0.018 | 0.009 | 17.043 | -0.990 | -0.990 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 82 | GLN | 0 | -0.052 | -0.017 | 17.900 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 83 | TYR | 0 | -0.032 | -0.010 | 16.513 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 84 | LEU | 0 | 0.020 | 0.013 | 12.889 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 85 | GLN | 0 | 0.015 | 0.000 | 14.693 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 86 | LYS | 1 | 0.911 | 0.959 | 16.130 | 13.557 | 13.557 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 87 | GLN | 0 | -0.049 | -0.033 | 14.904 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 88 | ASN | 0 | -0.102 | -0.043 | 12.537 | -1.274 | -1.274 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 89 | PHE | 0 | 0.009 | 0.024 | 8.959 | -1.858 | -1.858 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 90 | PRO | 0 | 0.030 | 0.011 | 5.571 | 2.349 | 2.349 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 91 | PHE | 0 | -0.015 | -0.022 | 8.605 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 92 | LEU | 0 | 0.026 | 0.024 | 11.103 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 93 | ALA | 0 | -0.032 | -0.030 | 13.006 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 94 | LEU | 0 | 0.011 | 0.007 | 16.367 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 95 | GLY | 0 | 0.024 | 0.013 | 19.124 | 0.806 | 0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 96 | ARG | 1 | 0.843 | 0.903 | 20.745 | 11.709 | 11.709 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 97 | SER | 0 | 0.010 | 0.020 | 22.026 | 0.634 | 0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 98 | HIS | 0 | -0.033 | -0.005 | 23.504 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 99 | LEU | 0 | 0.030 | 0.005 | 19.038 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 100 | PRO | 0 | 0.002 | 0.015 | 22.206 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 101 | LYS | 1 | 0.864 | 0.924 | 19.931 | 13.074 | 13.074 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 102 | PRO | 0 | 0.029 | 0.007 | 18.003 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 103 | TYR | 0 | 0.001 | -0.015 | 15.489 | -0.615 | -0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 104 | ALA | 0 | 0.062 | 0.051 | 12.612 | 0.658 | 0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 105 | TRP | 0 | -0.013 | -0.002 | 14.563 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 106 | PHE | 0 | -0.001 | -0.007 | 17.151 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 107 | ASP | -1 | -0.799 | -0.892 | 18.855 | -12.343 | -12.343 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 108 | PHE | 0 | 0.028 | 0.015 | 22.597 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 109 | ASP | -1 | -0.826 | -0.920 | 25.959 | -10.304 | -10.304 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 110 | ASN | 0 | -0.002 | -0.009 | 27.302 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 111 | HIS | 0 | 0.018 | 0.016 | 30.906 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 112 | ALA | 0 | 0.019 | 0.007 | 32.300 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 113 | GLY | 0 | 0.043 | 0.019 | 33.152 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 114 | ALA | 0 | -0.031 | -0.016 | 34.605 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 115 | SER | 0 | 0.020 | -0.002 | 36.852 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 116 | LEU | 0 | -0.039 | -0.012 | 35.782 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 117 | ALA | 0 | 0.025 | 0.011 | 39.120 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 118 | VAL | 0 | -0.006 | 0.000 | 41.039 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 119 | LYS | 1 | 0.846 | 0.900 | 41.545 | 7.516 | 7.516 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 120 | ARG | 1 | 0.898 | 0.953 | 43.213 | 7.117 | 7.117 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 121 | LEU | 0 | 0.024 | -0.001 | 44.925 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 122 | LEU | 0 | -0.021 | -0.010 | 45.919 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 123 | GLU | -1 | -0.907 | -0.939 | 45.814 | -6.915 | -6.915 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 124 | LEU | 0 | -0.066 | -0.008 | 48.138 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 125 | GLY | 0 | 0.004 | -0.006 | 51.265 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 126 | HIS | 0 | -0.041 | 0.000 | 50.037 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 127 | GLN | 0 | 0.037 | -0.003 | 51.056 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 128 | ARG | 1 | 0.918 | 0.969 | 51.259 | 5.569 | 5.569 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 129 | ILE | 0 | 0.061 | 0.039 | 45.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 130 | ALA | 0 | 0.000 | 0.013 | 47.170 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 131 | PHE | 0 | -0.011 | -0.021 | 37.467 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 132 | VAL | 0 | 0.007 | -0.005 | 41.710 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 133 | SER | 0 | 0.008 | 0.012 | 36.995 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 134 | THR | 0 | 0.001 | -0.025 | 34.539 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 135 | ASP | -1 | -0.875 | -0.925 | 36.273 | -8.353 | -8.353 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 136 | ALA | 0 | -0.042 | -0.021 | 32.067 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 137 | ARG | 1 | 0.863 | 0.926 | 31.519 | 8.921 | 8.921 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 138 | ILE | 0 | 0.030 | 0.015 | 26.713 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 139 | SER | 0 | 0.033 | -0.006 | 25.737 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 140 | TYR | 0 | 0.001 | 0.002 | 27.398 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 141 | VAL | 0 | -0.021 | -0.012 | 28.976 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 142 | ASP | -1 | -0.886 | -0.942 | 31.577 | -9.292 | -9.292 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 143 | GLN | 0 | -0.003 | 0.002 | 26.457 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 144 | ARG | 1 | 0.834 | 0.925 | 29.878 | 10.290 | 10.290 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 145 | LEU | 0 | -0.031 | -0.009 | 34.497 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 146 | GLN | 0 | 0.000 | -0.016 | 34.366 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 147 | GLY | 0 | 0.062 | 0.039 | 35.912 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 148 | TYR | 0 | -0.039 | -0.023 | 37.202 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 149 | VAL | 0 | -0.013 | -0.011 | 40.136 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 150 | GLN | 0 | -0.007 | -0.019 | 36.347 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 151 | THR | 0 | -0.006 | -0.014 | 40.121 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 152 | MET | 0 | -0.012 | 0.007 | 42.402 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 153 | SER | 0 | -0.031 | 0.000 | 44.169 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 154 | GLU | -1 | -1.004 | -1.006 | 42.224 | -7.372 | -7.372 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 155 | ALA | 0 | -0.030 | -0.027 | 46.049 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 156 | GLY | 0 | -0.022 | -0.002 | 49.097 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 157 | LEU | 0 | -0.021 | 0.003 | 49.250 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 158 | MET | 0 | -0.017 | -0.010 | 49.039 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 159 | PRO | 0 | 0.003 | 0.003 | 46.429 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 160 | LEU | 0 | 0.003 | 0.006 | 49.597 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 161 | ALA | 0 | 0.013 | -0.004 | 50.531 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 162 | GLY | 0 | 0.005 | 0.001 | 49.786 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 163 | TYR | 0 | 0.000 | -0.023 | 48.261 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 164 | LEU | 0 | -0.013 | 0.030 | 41.250 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 165 | GLN | 0 | -0.030 | -0.023 | 44.102 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 166 | LYS | 1 | 0.871 | 0.920 | 36.659 | 8.327 | 8.327 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 167 | ALA | 0 | -0.007 | -0.005 | 40.601 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 168 | ASP | -1 | -0.814 | -0.898 | 38.580 | -8.470 | -8.470 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 169 | PRO | 0 | -0.007 | 0.000 | 34.812 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 170 | THR | 0 | -0.048 | -0.045 | 37.155 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 171 | ARG | 1 | 0.951 | 0.954 | 39.798 | 7.574 | 7.574 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 172 | PRO | 0 | -0.001 | -0.019 | 42.570 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 173 | GLY | 0 | 0.024 | 0.026 | 42.236 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 174 | GLY | 0 | 0.003 | -0.008 | 42.957 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 175 | TYR | 0 | 0.053 | 0.043 | 44.174 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 176 | LEU | 0 | -0.031 | -0.004 | 47.113 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 177 | ALA | 0 | 0.002 | -0.006 | 45.062 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 178 | ALA | 0 | 0.037 | 0.020 | 47.184 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 179 | SER | 0 | -0.025 | -0.025 | 49.330 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 180 | ARG | 1 | 0.884 | 0.947 | 47.007 | 6.736 | 6.736 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 181 | LEU | 0 | -0.014 | -0.001 | 47.146 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 182 | LEU | 0 | -0.009 | -0.018 | 51.669 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 183 | ALA | 0 | -0.042 | -0.008 | 54.662 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 184 | LEU | 0 | -0.066 | -0.015 | 51.908 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 185 | GLU | -1 | -0.952 | -0.971 | 56.458 | -5.167 | -5.167 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 186 | VAL | 0 | -0.015 | -0.015 | 56.975 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 187 | PRO | 0 | 0.003 | 0.033 | 54.769 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 188 | PRO | 0 | -0.050 | -0.021 | 50.367 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 189 | THR | 0 | -0.023 | -0.034 | 52.580 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 190 | ALA | 0 | 0.019 | 0.012 | 48.322 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 191 | ILE | 0 | -0.040 | -0.023 | 44.917 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 192 | ILE | 0 | 0.041 | 0.034 | 40.149 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 193 | THR | 0 | -0.020 | -0.009 | 39.653 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 194 | ASP | -1 | -0.758 | -0.886 | 35.525 | -8.936 | -8.936 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 195 | CYS | 0 | -0.066 | -0.024 | 34.425 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 196 | ASN | 0 | 0.177 | 0.091 | 34.430 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 197 | MET | 0 | -0.014 | -0.005 | 35.779 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 198 | LEU | 0 | -0.030 | -0.025 | 38.366 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 199 | GLY | 0 | 0.050 | 0.031 | 39.869 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 200 | ASP | -1 | -0.701 | -0.826 | 41.249 | -7.201 | -7.201 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 201 | GLY | 0 | -0.031 | 0.003 | 42.994 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 202 | VAL | 0 | -0.040 | -0.038 | 44.352 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 203 | ALA | 0 | 0.038 | 0.020 | 45.519 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 204 | SER | 0 | 0.018 | -0.001 | 46.749 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 205 | ALA | 0 | -0.092 | -0.047 | 49.061 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 206 | LEU | 0 | 0.011 | -0.003 | 48.984 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 207 | ASP | -1 | -0.887 | -0.931 | 51.220 | -6.034 | -6.034 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 208 | LYS | 1 | 0.861 | 0.931 | 53.043 | 6.201 | 6.201 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 209 | ALA | 0 | -0.061 | -0.035 | 55.111 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 210 | GLY | 0 | -0.001 | 0.003 | 56.404 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 211 | LEU | 0 | -0.074 | -0.043 | 54.663 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 212 | LEU | 0 | 0.015 | 0.012 | 48.650 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 213 | GLY | 0 | 0.038 | 0.023 | 51.596 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 214 | GLY | 0 | 0.021 | -0.003 | 52.925 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 215 | GLU | -1 | -0.960 | -0.994 | 55.415 | -5.517 | -5.517 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 216 | GLY | 0 | -0.057 | 0.001 | 55.556 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 217 | ILE | 0 | -0.051 | -0.023 | 50.428 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 218 | SER | 0 | 0.002 | 0.011 | 48.898 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 219 | LEU | 0 | -0.049 | -0.035 | 43.931 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 220 | ILE | 0 | 0.001 | 0.016 | 40.389 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 221 | ALA | 0 | 0.023 | 0.015 | 39.741 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 222 | TYR | 0 | 0.000 | -0.014 | 31.449 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 223 | ASP | -1 | -0.909 | -0.951 | 31.819 | -10.128 | -10.128 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 224 | GLY | 0 | 0.006 | 0.015 | 34.955 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 225 | LEU | 0 | -0.028 | -0.012 | 38.618 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 226 | PRO | 0 | -0.064 | -0.035 | 37.189 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 227 | ASP | -1 | -0.903 | -0.953 | 34.872 | -9.093 | -9.093 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 228 | ASP | -1 | -0.999 | -1.003 | 38.203 | -8.129 | -8.129 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 229 | SER | 0 | -0.039 | -0.035 | 40.726 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 230 | LEU | 0 | -0.052 | -0.036 | 43.233 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 231 | LEU | 0 | -0.027 | -0.007 | 46.215 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 232 | ASP | -1 | -0.912 | -0.943 | 46.810 | -6.740 | -6.740 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 233 | ILE | 0 | -0.026 | -0.023 | 47.580 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 234 | ALA | 0 | 0.032 | 0.028 | 44.980 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 235 | VAL | 0 | -0.004 | 0.010 | 42.643 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 236 | THR | 0 | 0.021 | -0.033 | 42.238 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 237 | PRO | 0 | 0.000 | 0.012 | 37.464 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 238 | ILE | 0 | -0.029 | -0.007 | 34.148 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 239 | VAL | 0 | 0.023 | 0.012 | 32.518 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 240 | GLN | 0 | -0.023 | -0.034 | 28.518 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 241 | ASN | 0 | 0.052 | 0.007 | 26.073 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 242 | THR | 0 | 0.029 | 0.023 | 27.064 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 243 | ARG | 1 | 0.933 | 0.960 | 24.508 | 11.955 | 11.955 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 244 | THR | 0 | 0.004 | 0.004 | 22.705 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 245 | SER | 0 | -0.028 | -0.005 | 22.003 | -0.864 | -0.864 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 246 | VAL | 0 | 0.030 | 0.004 | 20.850 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 247 | GLY | 0 | 0.012 | 0.007 | 18.534 | -0.883 | -0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 248 | LYS | 1 | 0.945 | 0.979 | 16.879 | 15.079 | 15.079 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 249 | GLN | 0 | -0.008 | -0.003 | 16.302 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 250 | ILE | 0 | 0.014 | -0.008 | 13.963 | -0.996 | -0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 251 | ALA | 0 | -0.004 | 0.002 | 12.102 | -1.658 | -1.658 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 252 | SER | 0 | 0.008 | 0.004 | 11.077 | -1.979 | -1.979 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 253 | MET | 0 | -0.038 | -0.003 | 11.182 | -0.685 | -0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 254 | ILE | 0 | -0.013 | 0.000 | 7.312 | -1.315 | -1.315 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 255 | CYM | -1 | -0.666 | -0.730 | 6.570 | -41.330 | -41.330 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 256 | ASP | -1 | -0.885 | -0.948 | 5.882 | -31.006 | -31.006 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 257 | LEU | 0 | -0.068 | -0.025 | 6.862 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 258 | LEU | 0 | -0.044 | -0.018 | 2.162 | -5.195 | -4.032 | 2.474 | -0.992 | -2.646 | 0.001 |
255 | A | 259 | GLY | 0 | -0.036 | -0.015 | 2.094 | -24.123 | -21.655 | 3.258 | -2.988 | -2.738 | -0.047 |
256 | A | 260 | GLY | 0 | -0.056 | -0.016 | 4.472 | 3.521 | 3.578 | -0.001 | -0.003 | -0.052 | 0.000 |
257 | A | 261 | LYS | 1 | 0.805 | 0.897 | 5.869 | 26.795 | 26.795 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 262 | ASP | -1 | -0.843 | -0.934 | 9.377 | -19.210 | -19.210 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 263 | PRO | 0 | 0.047 | 0.007 | 11.546 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 264 | LYS | 1 | 0.860 | 0.934 | 13.646 | 15.129 | 15.129 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 265 | GLU | -1 | -0.865 | -0.915 | 13.746 | -19.077 | -19.077 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 266 | LEU | 0 | -0.035 | -0.012 | 10.189 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 267 | GLN | 0 | -0.071 | -0.044 | 14.856 | 0.641 | 0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 268 | VAL | 0 | -0.003 | 0.012 | 17.329 | 0.740 | 0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 269 | LEU | 0 | 0.000 | -0.009 | 19.905 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 270 | TRP | 0 | -0.030 | -0.014 | 21.252 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 271 | GLN | 0 | 0.016 | -0.023 | 25.582 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 272 | PRO | 0 | -0.062 | -0.004 | 29.354 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 273 | GLU | -1 | -0.929 | -0.957 | 31.657 | -9.270 | -9.270 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 274 | ILE | 0 | -0.024 | -0.028 | 34.884 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 275 | GLY | 0 | -0.019 | -0.009 | 38.298 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 276 | GLU | -1 | -0.918 | -0.964 | 39.532 | -7.257 | -7.257 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 277 | GLY | 0 | -0.046 | -0.042 | 42.813 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 278 | GLU | -1 | -0.975 | -0.982 | 45.361 | -6.346 | -6.346 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 279 | THR | 0 | -0.050 | -0.035 | 46.452 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 280 | ASP | -1 | -0.789 | -0.840 | 46.091 | -6.974 | -6.974 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 281 | GLY | 0 | 0.081 | 0.039 | 48.208 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 282 | VAL | 0 | -0.040 | -0.027 | 51.759 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 283 | ASN | 0 | -0.056 | -0.026 | 54.154 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 284 | ARG | 1 | 0.934 | 0.985 | 55.560 | 5.560 | 5.560 | 0.000 | 0.000 | 0.000 | 0.000 |