![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JLJZ9
Calculation Name: 2P0L-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2P0L
Chain ID: A
Base Structure: X-ray
Registration Date: 2023-09-20
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 | 269 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3846237.604024 |
---|---|
FMO2-HF: Nuclear repulsion | 3738424.778653 |
FMO2-HF: Total energy | -107812.825371 |
FMO2-MP2: Total energy | -108125.407534 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030959/ligand_interaction/ligand_F030959.png)
Ligand Interaction
![ligand interaction](./Kdata/F030959/ligand_interaction/ligand_interaction_F030959.png)
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:4:GLU)
Summations of interaction energy for
fragment #1(A:4: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. |
123.342 | 126.963 | 21.499 | -12.198 | -12.922 | 0.005 |
Interaction energy analysis for fragmet #1(A:4: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 | 6 | GLN | 0 | -0.016 | -0.029 | 1.748 | -35.635 | -37.312 | 12.041 | -5.301 | -5.064 | 0.063 |
4 | A | 7 | ASP | -1 | -0.837 | -0.906 | 1.945 | 40.343 | 40.622 | 8.516 | -4.311 | -4.484 | -0.046 |
5 | A | 8 | LEU | 0 | -0.078 | -0.055 | 4.547 | -4.371 | -4.156 | -0.001 | -0.025 | -0.189 | 0.000 |
6 | A | 9 | ALA | 0 | 0.007 | 0.004 | 7.174 | -2.899 | -2.899 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | GLN | 0 | -0.076 | -0.033 | 8.691 | -3.280 | -3.280 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | LEU | 0 | -0.065 | -0.016 | 11.347 | -1.772 | -1.772 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | PRO | 0 | -0.026 | -0.008 | 13.203 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | VAL | 0 | 0.036 | 0.010 | 12.686 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | SER | 0 | -0.065 | -0.070 | 15.485 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | ILE | 0 | 0.013 | -0.003 | 17.187 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | PHE | 0 | -0.010 | -0.021 | 20.036 | -0.739 | -0.739 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | LYS | 1 | 0.900 | 0.964 | 21.974 | -11.899 | -11.899 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | ASP | -1 | -0.819 | -0.918 | 23.741 | 9.839 | 9.839 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | TYR | 0 | -0.042 | -0.057 | 25.332 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | VAL | 0 | 0.004 | 0.017 | 27.655 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 21 | THR | 0 | 0.004 | -0.017 | 29.932 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 22 | ASP | -1 | -0.862 | -0.932 | 33.040 | 7.613 | 7.613 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 23 | ALA | 0 | 0.039 | 0.026 | 34.207 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 24 | GLN | 0 | -0.061 | -0.030 | 35.233 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | ASP | -1 | -0.855 | -0.940 | 32.480 | 9.043 | 9.043 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | ALA | 0 | 0.009 | 0.006 | 30.822 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | GLU | -1 | -0.842 | -0.897 | 29.664 | 9.321 | 9.321 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | LYS | 1 | 0.774 | 0.887 | 28.455 | -9.497 | -9.497 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | PRO | 0 | 0.032 | 0.009 | 24.234 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | PHE | 0 | 0.030 | 0.007 | 23.613 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | ILE | 0 | -0.039 | -0.005 | 25.792 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | TRP | 0 | 0.029 | 0.000 | 24.230 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | THR | 0 | -0.019 | 0.007 | 20.280 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | GLU | -1 | -0.813 | -0.861 | 22.286 | 11.454 | 11.454 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | VAL | 0 | 0.009 | 0.013 | 24.560 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | PHE | 0 | 0.047 | 0.007 | 20.338 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | LEU | 0 | -0.013 | 0.001 | 18.522 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | ARG | 1 | 0.755 | 0.865 | 20.975 | -10.809 | -10.809 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | GLU | -1 | -0.758 | -0.880 | 22.470 | 11.309 | 11.309 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | ILE | 0 | -0.026 | 0.023 | 16.143 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | ASN | 0 | -0.090 | -0.075 | 18.535 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | ARG | 1 | 0.671 | 0.798 | 20.786 | -10.878 | -10.878 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | SER | 0 | -0.002 | 0.003 | 21.460 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | ASN | 0 | -0.027 | -0.010 | 17.079 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | GLN | 0 | -0.012 | -0.009 | 16.324 | 0.630 | 0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | GLU | -1 | -0.821 | -0.882 | 15.654 | 13.740 | 13.740 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | ILE | 0 | 0.020 | 0.019 | 10.204 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | ILE | 0 | -0.020 | 0.001 | 14.544 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 49 | LEU | 0 | 0.015 | 0.019 | 14.043 | 0.594 | 0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | HIS | 0 | -0.032 | -0.013 | 16.314 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | ILE | 0 | 0.025 | 0.001 | 18.031 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | TRP | 0 | -0.007 | -0.031 | 19.613 | -0.742 | -0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | PRO | 0 | 0.051 | 0.043 | 22.782 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | MET | 0 | -0.035 | -0.028 | 24.660 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | THR | 0 | 0.081 | 0.061 | 27.952 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | LYS | 1 | 0.879 | 0.950 | 30.554 | -8.394 | -8.394 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | THR | 0 | -0.044 | -0.025 | 29.367 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | VAL | 0 | 0.002 | 0.002 | 29.658 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | ILE | 0 | -0.035 | -0.015 | 25.636 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | LEU | 0 | 0.003 | -0.007 | 28.082 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | GLY | 0 | 0.039 | 0.011 | 28.052 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | MET | 0 | -0.089 | -0.057 | 27.200 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | LEU | 0 | 0.044 | 0.018 | 28.171 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | ASP | -1 | -0.697 | -0.825 | 29.627 | 9.572 | 9.572 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | ARG | 1 | 0.785 | 0.873 | 32.675 | -8.775 | -8.775 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | GLU | -1 | -0.850 | -0.913 | 34.484 | 8.030 | 8.030 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | LEU | 0 | -0.087 | -0.019 | 34.768 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | PRO | 0 | 0.009 | 0.004 | 37.971 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | HIS | 0 | -0.042 | -0.005 | 41.288 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | LEU | 0 | 0.046 | 0.037 | 36.314 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | GLU | -1 | -0.819 | -0.900 | 39.830 | 7.444 | 7.444 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | LEU | 0 | -0.026 | -0.020 | 42.105 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | ALA | 0 | 0.065 | 0.037 | 37.932 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | LYS | 1 | 0.843 | 0.888 | 37.189 | -7.575 | -7.575 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | LYS | 1 | 0.913 | 0.962 | 38.818 | -6.783 | -6.783 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | GLU | -1 | -0.890 | -0.942 | 38.454 | 7.245 | 7.245 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | ILE | 0 | -0.044 | -0.025 | 34.077 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | ILE | 0 | 0.023 | -0.004 | 37.083 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | SER | 0 | -0.051 | -0.009 | 39.715 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | ARG | 1 | 0.865 | 0.918 | 36.462 | -8.190 | -8.190 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | GLY | 0 | -0.042 | -0.022 | 37.737 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | TYR | 0 | -0.085 | -0.061 | 30.698 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | GLU | -1 | -0.881 | -0.956 | 34.484 | 7.736 | 7.736 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | PRO | 0 | -0.058 | -0.022 | 33.477 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | VAL | 0 | 0.037 | 0.031 | 30.198 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | VAL | 0 | -0.017 | -0.005 | 31.292 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | ARG | 1 | 0.901 | 0.945 | 27.005 | -10.012 | -10.012 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | ASN | 0 | 0.022 | 0.008 | 29.510 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | PHE | 0 | -0.020 | -0.020 | 27.174 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | GLY | 0 | -0.006 | 0.010 | 25.028 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | GLY | 0 | 0.011 | 0.001 | 23.756 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | LEU | 0 | 0.015 | 0.004 | 24.766 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | ALA | 0 | 0.030 | 0.014 | 25.535 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | VAL | 0 | -0.009 | 0.011 | 22.478 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | VAL | 0 | -0.042 | -0.024 | 25.687 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | ALA | 0 | 0.010 | 0.003 | 25.492 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | ASP | -1 | -0.714 | -0.818 | 26.899 | 9.810 | 9.810 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | GLU | -1 | -0.788 | -0.916 | 27.287 | 9.560 | 9.560 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | GLY | 0 | -0.045 | -0.008 | 27.046 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | ILE | 0 | -0.076 | -0.027 | 22.712 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | LEU | 0 | -0.012 | -0.003 | 18.059 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | ASN | 0 | 0.021 | 0.009 | 19.566 | 0.569 | 0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | PHE | 0 | 0.008 | -0.004 | 12.640 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | SER | 0 | -0.040 | -0.037 | 15.572 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | LEU | 0 | 0.036 | 0.036 | 9.391 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | VAL | 0 | -0.079 | -0.055 | 13.432 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | ILE | 0 | 0.039 | 0.003 | 9.083 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | PRO | 0 | 0.032 | 0.040 | 12.578 | -0.637 | -0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | ASP | -1 | -0.823 | -0.925 | 12.126 | 20.086 | 20.086 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | VAL | 0 | -0.062 | -0.046 | 12.033 | -0.994 | -0.994 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | PHE | 0 | 0.020 | 0.029 | 7.714 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | GLU | -1 | -0.842 | -0.906 | 7.006 | 27.344 | 27.344 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | ARG | 1 | 0.784 | 0.849 | 3.191 | -42.605 | -41.521 | 0.056 | -0.450 | -0.691 | 0.003 |
111 | A | 114 | LYN | 0 | -0.014 | -0.002 | 5.161 | 2.846 | 2.960 | -0.001 | -0.004 | -0.108 | 0.000 |
112 | A | 115 | LEU | 0 | -0.011 | 0.003 | 7.195 | -1.769 | -1.769 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | SER | 0 | -0.094 | -0.065 | 10.096 | -2.070 | -2.070 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | ILE | 0 | 0.047 | 0.011 | 10.897 | 0.735 | 0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | SER | 0 | -0.027 | -0.016 | 10.682 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | ASP | -1 | -0.797 | -0.862 | 6.707 | 28.879 | 28.879 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | GLY | 0 | 0.059 | 0.036 | 6.899 | 2.609 | 2.609 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | TYR | 0 | -0.019 | -0.028 | 8.577 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | LEU | 0 | -0.018 | -0.019 | 5.575 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 123 | ILE | 0 | 0.028 | 0.030 | 3.156 | 1.901 | 2.674 | 0.211 | -0.271 | -0.713 | 0.002 |
121 | A | 124 | MET | 0 | -0.016 | 0.001 | 5.237 | -0.043 | -0.028 | -0.001 | -0.001 | -0.013 | 0.000 |
122 | A | 125 | VAL | 0 | -0.035 | -0.018 | 7.111 | -0.791 | -0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 126 | ASP | -1 | -0.845 | -0.919 | 2.858 | 52.229 | 55.028 | 0.679 | -1.834 | -1.644 | -0.017 |
124 | A | 127 | PHE | 0 | 0.031 | 0.016 | 5.356 | -1.509 | -1.490 | -0.001 | -0.001 | -0.016 | 0.000 |
125 | A | 128 | ILE | 0 | -0.008 | -0.012 | 7.612 | -1.544 | -1.544 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | ARG | 1 | 0.855 | 0.913 | 6.730 | -32.618 | -32.618 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | SER | 0 | 0.039 | 0.017 | 6.966 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | ILE | 0 | -0.075 | -0.008 | 9.009 | -1.895 | -1.895 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | PHE | 0 | -0.035 | -0.028 | 12.352 | -1.935 | -1.935 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | SER | 0 | 0.009 | -0.002 | 10.819 | -0.907 | -0.907 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | ASP | -1 | -0.871 | -0.904 | 12.884 | 17.999 | 17.999 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 135 | PHE | 0 | -0.052 | -0.027 | 16.173 | -1.222 | -1.222 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | TYR | 0 | -0.007 | -0.009 | 16.165 | 0.935 | 0.935 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | GLN | 0 | -0.011 | -0.001 | 16.733 | 1.187 | 1.187 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | PRO | 0 | 0.022 | 0.017 | 13.751 | 0.841 | 0.841 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | ILE | 0 | 0.020 | 0.018 | 12.185 | -0.931 | -0.931 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | GLU | -1 | -0.936 | -0.964 | 11.927 | 19.899 | 19.899 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | HIS | 0 | -0.011 | -0.022 | 9.876 | 1.807 | 1.807 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | PHE | 0 | -0.053 | -0.028 | 13.939 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | GLU | -1 | -0.907 | -0.947 | 16.878 | 13.308 | 13.308 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | VAL | 0 | -0.015 | 0.006 | 19.743 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | GLU | -1 | -0.904 | -0.957 | 22.441 | 11.309 | 11.309 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | THR | 0 | -0.015 | 0.006 | 25.309 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | SER | 0 | -0.007 | -0.025 | 23.451 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | TYR | 0 | 0.040 | 0.008 | 24.667 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | CYS | 0 | -0.078 | -0.050 | 21.713 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | PRO | 0 | -0.039 | 0.011 | 21.896 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | GLY | 0 | 0.064 | 0.016 | 18.784 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | LYS | 1 | 0.952 | 0.979 | 14.302 | -18.501 | -18.501 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | PHE | 0 | -0.055 | -0.058 | 10.909 | 0.674 | 0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | ASP | -1 | -0.713 | -0.834 | 14.148 | 15.142 | 15.142 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | LEU | 0 | 0.008 | -0.003 | 11.826 | 0.894 | 0.894 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | SER | 0 | -0.006 | -0.020 | 15.488 | -1.276 | -1.276 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | ILE | 0 | 0.056 | 0.018 | 16.698 | 1.036 | 1.036 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | ASN | 0 | -0.014 | -0.006 | 19.027 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | GLY | 0 | 0.009 | 0.007 | 20.771 | -0.675 | -0.675 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | LYS | 1 | 0.884 | 0.956 | 22.122 | -11.692 | -11.692 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | LYS | 1 | 0.805 | 0.916 | 19.496 | -12.951 | -12.951 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | PHE | 0 | 0.009 | 0.014 | 14.863 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | ALA | 0 | 0.002 | -0.003 | 16.004 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | GLY | 0 | 0.068 | 0.051 | 17.805 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | LEU | 0 | -0.035 | -0.021 | 11.443 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | ALA | 0 | 0.000 | -0.002 | 15.786 | -0.751 | -0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | GLN | 0 | -0.026 | -0.017 | 12.387 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | ARG | 1 | 0.847 | 0.913 | 16.493 | -12.695 | -12.695 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | ARG | 1 | 0.836 | 0.912 | 14.554 | -15.911 | -15.911 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | ILE | 0 | -0.046 | -0.028 | 18.656 | -0.871 | -0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | LYS | 1 | 0.923 | 0.973 | 20.067 | -10.762 | -10.762 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | ASN | 0 | 0.015 | 0.014 | 17.217 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | GLY | 0 | 0.065 | 0.042 | 16.309 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | ILE | 0 | -0.023 | -0.021 | 11.852 | -0.821 | -0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | ALA | 0 | 0.029 | 0.021 | 14.772 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | VAL | 0 | -0.003 | 0.002 | 10.622 | -0.576 | -0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | SER | 0 | -0.002 | -0.003 | 13.770 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | ILE | 0 | -0.010 | -0.003 | 13.059 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | TYR | 0 | 0.004 | 0.010 | 16.240 | -0.601 | -0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | LEU | 0 | 0.009 | -0.013 | 15.128 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | SER | 0 | 0.017 | -0.004 | 19.356 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | VAL | 0 | -0.015 | 0.017 | 20.789 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | CYS | 0 | 0.008 | 0.029 | 23.091 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | GLY | 0 | 0.080 | 0.052 | 26.838 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 185 | ASP | -1 | -0.844 | -0.928 | 30.050 | 9.155 | 9.155 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 186 | GLN | 0 | 0.080 | 0.060 | 26.036 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 187 | LYS | 1 | 0.857 | 0.927 | 29.017 | -8.928 | -8.928 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 188 | GLY | 0 | 0.055 | 0.020 | 31.744 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 189 | ARG | 1 | 0.729 | 0.821 | 26.887 | -10.926 | -10.926 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 190 | SER | 0 | -0.018 | -0.031 | 29.008 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 191 | GLN | 0 | -0.008 | -0.011 | 30.616 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 192 | MET | 0 | -0.046 | 0.022 | 33.187 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 193 | ILE | 0 | -0.010 | -0.004 | 29.296 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 194 | SER | 0 | 0.016 | 0.011 | 32.556 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 195 | ASP | -1 | -0.871 | -0.923 | 34.335 | 7.756 | 7.756 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 196 | PHE | 0 | -0.043 | -0.017 | 33.157 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 197 | TYR | 0 | 0.014 | -0.030 | 29.921 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 198 | LYS | 1 | 0.885 | 0.967 | 35.841 | -7.464 | -7.464 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 199 | ILE | 0 | -0.016 | -0.020 | 39.001 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 200 | GLY | 0 | 0.005 | -0.002 | 38.346 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 201 | LEU | 0 | -0.022 | -0.013 | 36.121 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 202 | GLY | 0 | -0.037 | -0.006 | 40.133 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 203 | ASP | -1 | -0.937 | -0.982 | 43.397 | 6.633 | 6.633 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 204 | THR | 0 | -0.088 | -0.045 | 43.541 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 205 | GLY | 0 | -0.009 | 0.007 | 40.767 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 206 | SER | 0 | 0.034 | -0.015 | 37.134 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 207 | PRO | 0 | -0.048 | -0.017 | 37.124 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 208 | ILE | 0 | -0.025 | -0.007 | 31.803 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 209 | ALA | 0 | 0.004 | 0.006 | 30.593 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 210 | TYR | 0 | -0.015 | -0.028 | 30.239 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 211 | PRO | 0 | 0.008 | 0.013 | 27.744 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 212 | ASN | 0 | -0.036 | -0.014 | 29.871 | -0.482 | -0.482 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 213 | VAL | 0 | -0.037 | -0.041 | 29.293 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 214 | ASP | -1 | -0.807 | -0.899 | 29.728 | 9.632 | 9.632 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 215 | PRO | 0 | -0.073 | -0.061 | 29.467 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 216 | GLU | -1 | -0.819 | -0.880 | 30.060 | 9.355 | 9.355 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 217 | ILE | 0 | -0.027 | -0.006 | 25.255 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 218 | MET | 0 | -0.043 | 0.006 | 24.077 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 219 | ALA | 0 | -0.040 | -0.033 | 23.912 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 220 | ASN | 0 | -0.058 | -0.049 | 23.270 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 221 | LEU | 0 | 0.041 | 0.005 | 17.552 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 222 | SER | 0 | -0.054 | -0.041 | 21.683 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 223 | ASP | -1 | -0.853 | -0.917 | 24.431 | 10.836 | 10.836 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 224 | LEU | 0 | -0.074 | -0.035 | 21.022 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 225 | LEU | 0 | -0.050 | -0.041 | 18.497 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 226 | ASP | -1 | -0.992 | -0.974 | 22.606 | 11.046 | 11.046 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 227 | CYS | 0 | -0.019 | -0.023 | 23.710 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 228 | PRO | 0 | -0.043 | -0.020 | 25.139 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 229 | MET | 0 | -0.015 | 0.005 | 20.953 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 230 | THR | 0 | -0.044 | -0.066 | 25.533 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 231 | VAL | 0 | 0.055 | 0.013 | 22.713 | 0.517 | 0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 232 | GLU | -1 | -0.784 | -0.865 | 22.539 | 12.082 | 12.082 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 233 | ASP | -1 | -0.802 | -0.865 | 23.338 | 11.985 | 11.985 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 234 | VAL | 0 | -0.015 | -0.005 | 17.763 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 235 | ILE | 0 | -0.031 | -0.014 | 18.510 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 236 | ASP | -1 | -0.878 | -0.937 | 18.932 | 13.286 | 13.286 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 237 | ARG | 1 | 0.774 | 0.863 | 16.015 | -16.671 | -16.671 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 238 | MET | 0 | -0.033 | -0.012 | 13.907 | 1.210 | 1.210 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 239 | LEU | 0 | -0.004 | -0.003 | 14.433 | 1.109 | 1.109 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 240 | ILE | 0 | -0.029 | -0.014 | 16.168 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 241 | SER | 0 | -0.061 | -0.045 | 11.770 | 0.966 | 0.966 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 242 | LEU | 0 | 0.027 | 0.020 | 11.304 | 1.838 | 1.838 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 243 | LYS | 1 | 0.957 | 0.982 | 12.069 | -15.782 | -15.782 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 244 | GLN | 0 | -0.044 | -0.024 | 12.745 | -0.868 | -0.868 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 245 | VAL | 0 | -0.022 | 0.001 | 6.803 | 0.793 | 0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 246 | GLY | 0 | 0.008 | 0.016 | 9.000 | 2.047 | 2.047 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 247 | PHE | 0 | -0.033 | -0.011 | 7.395 | -1.024 | -1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 248 | ASN | 0 | -0.048 | -0.018 | 12.411 | -1.699 | -1.699 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 249 | ASP | -1 | -0.917 | -0.957 | 15.981 | 15.807 | 15.807 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 250 | ARG | 1 | 0.845 | 0.899 | 17.840 | -14.606 | -14.606 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 251 | LEU | 0 | 0.000 | 0.015 | 20.969 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 252 | LEU | 0 | 0.003 | 0.011 | 20.862 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 253 | MET | 0 | -0.053 | -0.035 | 23.478 | -0.594 | -0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 254 | ILE | 0 | 0.056 | 0.022 | 27.125 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 255 | ARG | 1 | 0.906 | 0.965 | 28.316 | -10.178 | -10.178 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 256 | PRO | 0 | 0.086 | 0.024 | 30.839 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 257 | ASP | -1 | -0.891 | -0.943 | 30.765 | 8.889 | 8.889 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 258 | LEU | 0 | -0.021 | -0.008 | 26.021 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 259 | VAL | 0 | 0.032 | 0.021 | 29.732 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 260 | ALA | 0 | 0.002 | 0.002 | 32.420 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 261 | GLU | -1 | -0.881 | -0.930 | 27.775 | 10.082 | 10.082 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 262 | PHE | 0 | 0.031 | 0.011 | 28.839 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 263 | ASP | -1 | -0.786 | -0.908 | 31.234 | 8.171 | 8.171 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 264 | ARG | 1 | 0.860 | 0.949 | 32.773 | -8.791 | -8.791 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 265 | PHE | 0 | -0.050 | -0.029 | 28.188 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 266 | GLN | 0 | -0.003 | 0.016 | 32.544 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 267 | ALA | 0 | 0.013 | 0.000 | 34.450 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 268 | LYS | 1 | 0.906 | 0.952 | 32.495 | -8.859 | -8.859 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 269 | SER | 0 | -0.047 | -0.036 | 33.593 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 270 | MET | 0 | 0.036 | 0.014 | 35.592 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 271 | ALA | 0 | -0.071 | -0.013 | 38.906 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 272 | ASN | 0 | -0.131 | -0.068 | 37.249 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |