![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JLVQ9
Calculation Name: 4LN9-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4LN9
Chain ID: A
UniProt ID: O54593
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.
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 | 281 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3564187.530915 |
---|---|
FMO2-HF: Nuclear repulsion | 3462380.937742 |
FMO2-HF: Total energy | -101806.593173 |
FMO2-MP2: Total energy | -102110.694631 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027284/ligand_interaction/ligand_F027284.png)
Ligand Interaction
![ligand interaction](./Kdata/F027284/ligand_interaction/ligand_interaction_F027284.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:7:ASP)
Summations of interaction energy for
fragment #1(A:7:ASP)
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. |
-23.225 | -38.311 | 50.211 | -20.766 | -14.36 | 0.176 |
Interaction energy analysis for fragmet #1(A:7:ASP)
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 | 9 | VAL | 0 | 0.006 | 0.004 | 1.887 | -25.396 | -23.219 | 10.899 | -6.479 | -6.597 | 0.063 |
4 | A | 10 | SER | 0 | -0.109 | -0.096 | 1.584 | -52.147 | -69.964 | 39.263 | -14.227 | -7.220 | 0.109 |
5 | A | 11 | LEU | 0 | -0.059 | -0.028 | 3.582 | -15.554 | -15.000 | 0.049 | -0.060 | -0.543 | 0.004 |
6 | A | 12 | GLY | 0 | -0.025 | -0.001 | 5.989 | -6.624 | -6.624 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 13 | LEU | 0 | -0.080 | -0.028 | 6.625 | -5.373 | -5.373 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 14 | ALA | 0 | 0.029 | 0.014 | 6.031 | 6.004 | 6.004 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 15 | GLY | 0 | 0.014 | -0.006 | 5.826 | -0.671 | -0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 16 | ALA | 0 | -0.025 | -0.023 | 6.485 | -3.332 | -3.332 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 17 | ASP | -1 | -0.897 | -0.933 | 8.867 | 22.819 | 22.819 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 18 | HIS | 0 | 0.033 | 0.006 | 10.508 | -1.680 | -1.680 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 19 | PRO | 0 | -0.016 | 0.000 | 11.713 | 1.590 | 1.590 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 20 | LEU | 0 | -0.042 | -0.016 | 13.590 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 21 | LEU | 0 | 0.011 | 0.015 | 12.140 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 22 | GLY | 0 | 0.004 | 0.011 | 8.151 | 0.585 | 0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 23 | ALA | 0 | -0.019 | -0.013 | 6.478 | 4.345 | 4.345 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 24 | VAL | 0 | 0.019 | 0.016 | 8.172 | -3.719 | -3.719 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 25 | VAL | 0 | 0.004 | 0.002 | 9.872 | 2.990 | 2.990 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 26 | GLN | 0 | 0.065 | 0.029 | 12.374 | -1.165 | -1.165 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 27 | LEU | 0 | -0.020 | -0.014 | 15.708 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 28 | PRO | 0 | 0.046 | 0.007 | 17.497 | -1.011 | -1.011 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 29 | GLN | 0 | -0.075 | -0.031 | 20.664 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 30 | SER | 0 | -0.038 | -0.030 | 22.700 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 31 | ASP | -1 | -0.826 | -0.896 | 22.178 | 13.700 | 13.700 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 32 | GLY | 0 | 0.075 | 0.058 | 21.244 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 33 | LEU | 0 | -0.052 | -0.021 | 16.195 | 0.981 | 0.981 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 34 | VAL | 0 | -0.013 | -0.007 | 14.744 | -0.992 | -0.992 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 35 | PHE | 0 | 0.048 | 0.039 | 12.703 | 2.056 | 2.056 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 36 | THR | 0 | -0.059 | -0.035 | 10.779 | -1.027 | -1.027 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 37 | SER | 0 | 0.019 | -0.022 | 11.127 | 2.137 | 2.137 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 38 | ARG | 1 | 0.809 | 0.875 | 11.670 | -19.245 | -19.245 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 39 | LEU | 0 | 0.026 | 0.043 | 13.205 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 40 | SER | 0 | 0.014 | -0.026 | 15.495 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 41 | LEU | 0 | 0.023 | 0.012 | 17.707 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 42 | ARG | 1 | 0.921 | 0.953 | 17.208 | -14.594 | -14.594 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 43 | SER | 0 | -0.029 | -0.010 | 13.050 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 44 | HIS | 0 | 0.080 | 0.059 | 13.258 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 45 | PRO | 0 | -0.004 | -0.007 | 17.404 | -0.752 | -0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 46 | TRP | 0 | 0.030 | 0.009 | 18.101 | -0.989 | -0.989 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 47 | LEU | 0 | 0.012 | 0.002 | 18.866 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 48 | ALA | 0 | -0.048 | -0.033 | 22.805 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 49 | ASP | -1 | -0.831 | -0.877 | 25.431 | 10.509 | 10.509 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 50 | HIS | 0 | -0.008 | -0.010 | 26.396 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 51 | ALA | 0 | 0.010 | 0.009 | 27.837 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 52 | VAL | 0 | 0.010 | -0.001 | 30.156 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 53 | ARG | 1 | 0.890 | 0.904 | 33.050 | -7.858 | -7.858 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 54 | ASP | -1 | -0.829 | -0.900 | 32.196 | 9.100 | 9.100 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 55 | VAL | 0 | -0.037 | 0.003 | 28.952 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 56 | VAL | 0 | -0.002 | 0.009 | 24.608 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 57 | ILE | 0 | -0.028 | -0.020 | 25.653 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 58 | VAL | 0 | 0.022 | 0.020 | 20.935 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 59 | PRO | 0 | 0.020 | 0.027 | 23.926 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 60 | GLY | 0 | 0.029 | 0.001 | 25.508 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 61 | THR | 0 | 0.038 | 0.003 | 26.603 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 62 | GLY | 0 | 0.014 | 0.005 | 22.476 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 63 | LEU | 0 | -0.048 | -0.028 | 21.765 | 0.618 | 0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 64 | VAL | 0 | 0.049 | 0.029 | 23.219 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 65 | GLU | -1 | -0.750 | -0.842 | 19.569 | 15.386 | 15.386 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 66 | LEU | 0 | -0.067 | -0.037 | 17.028 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 67 | ALA | 0 | 0.008 | 0.010 | 19.193 | 0.617 | 0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 68 | VAL | 0 | 0.036 | 0.008 | 21.626 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 69 | ARG | 1 | 0.772 | 0.872 | 12.997 | -21.058 | -21.058 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 70 | ALA | 0 | -0.001 | -0.009 | 17.734 | 0.778 | 0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 71 | GLY | 0 | 0.031 | 0.017 | 18.684 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 72 | ASP | -1 | -0.922 | -0.961 | 19.630 | 15.078 | 15.078 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 73 | GLU | -1 | -0.881 | -0.918 | 14.486 | 22.019 | 22.019 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 74 | ALA | 0 | -0.028 | -0.014 | 18.004 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 75 | GLY | 0 | -0.011 | 0.009 | 20.974 | -0.725 | -0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 76 | CYS | 0 | -0.105 | -0.058 | 23.443 | -0.815 | -0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 77 | PRO | 0 | 0.043 | 0.010 | 24.341 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 78 | VAL | 0 | -0.038 | -0.004 | 25.387 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 79 | LEU | 0 | 0.011 | 0.001 | 25.940 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 80 | ASP | -1 | -0.951 | -0.971 | 28.632 | 9.085 | 9.085 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 81 | GLU | -1 | -0.902 | -0.950 | 30.978 | 8.828 | 8.828 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 82 | LEU | 0 | -0.033 | -0.016 | 26.268 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 83 | VAL | 0 | 0.029 | 0.026 | 30.126 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 84 | ILE | 0 | -0.040 | -0.027 | 28.227 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 85 | GLU | -1 | -0.855 | -0.909 | 28.951 | 10.249 | 10.249 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 86 | ALA | 0 | 0.015 | -0.008 | 29.318 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 87 | PRO | 0 | 0.030 | 0.024 | 28.297 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 88 | LEU | 0 | 0.009 | 0.014 | 20.597 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 89 | VAL | 0 | -0.010 | -0.011 | 24.358 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 90 | VAL | 0 | 0.020 | 0.016 | 20.231 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 91 | PRO | 0 | -0.040 | -0.003 | 20.876 | -0.555 | -0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 92 | ARG | 1 | 0.856 | 0.895 | 22.548 | -9.844 | -9.844 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 93 | ARG | 1 | 0.933 | 0.961 | 22.232 | -11.588 | -11.588 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 94 | GLY | 0 | 0.009 | 0.013 | 19.332 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 95 | GLY | 0 | 0.005 | -0.015 | 16.882 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 96 | VAL | 0 | -0.021 | -0.010 | 17.459 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 97 | ARG | 1 | 0.936 | 0.992 | 13.798 | -17.771 | -17.771 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 98 | VAL | 0 | -0.006 | -0.016 | 15.280 | -1.212 | -1.212 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 99 | GLN | 0 | -0.012 | -0.019 | 15.289 | 1.124 | 1.124 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 100 | VAL | 0 | 0.018 | 0.015 | 16.804 | -1.095 | -1.095 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 101 | ALA | 0 | 0.009 | 0.012 | 17.859 | 0.936 | 0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 102 | LEU | 0 | 0.009 | 0.002 | 20.221 | -0.650 | -0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 103 | GLY | 0 | 0.012 | 0.006 | 21.898 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 104 | GLY | 0 | 0.027 | 0.013 | 24.201 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 105 | PRO | 0 | -0.079 | -0.026 | 25.429 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 106 | ALA | 0 | 0.016 | 0.012 | 28.026 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 107 | ASP | -1 | -0.936 | -0.981 | 31.598 | 9.321 | 9.321 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 108 | ASP | -1 | -0.900 | -0.921 | 33.341 | 9.587 | 9.587 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 109 | GLY | 0 | -0.041 | -0.020 | 29.839 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 110 | SER | 0 | -0.089 | -0.064 | 28.657 | 0.487 | 0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 111 | ARG | 1 | 0.840 | 0.893 | 23.302 | -13.349 | -13.349 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 112 | THR | 0 | -0.001 | 0.006 | 26.754 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 113 | VAL | 0 | 0.003 | 0.006 | 22.322 | 0.648 | 0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 114 | ASP | -1 | -0.831 | -0.885 | 23.259 | 11.270 | 11.270 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 115 | VAL | 0 | 0.007 | 0.009 | 20.618 | 0.807 | 0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 116 | PHE | 0 | 0.023 | -0.010 | 20.919 | -0.803 | -0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 117 | SER | 0 | -0.003 | -0.004 | 19.735 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 118 | LEU | 0 | -0.048 | -0.010 | 18.102 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 119 | ARG | 1 | 0.868 | 0.914 | 18.874 | -11.279 | -11.279 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 120 | GLU | -1 | -0.810 | -0.889 | 15.854 | 16.434 | 16.434 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 121 | ASP | -1 | -0.884 | -0.927 | 19.815 | 11.854 | 11.854 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 122 | ALA | 0 | -0.027 | -0.010 | 22.607 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 123 | ASP | -1 | -0.904 | -0.946 | 22.679 | 11.860 | 11.860 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 124 | SER | 0 | -0.029 | -0.013 | 24.535 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 125 | TRP | 0 | -0.017 | -0.022 | 16.523 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 126 | LEU | 0 | -0.025 | -0.004 | 23.631 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 127 | ARG | 1 | 0.782 | 0.858 | 24.432 | -10.403 | -10.403 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 128 | HIS | 1 | 0.777 | 0.864 | 23.576 | -12.392 | -12.392 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 129 | ALA | 0 | 0.053 | 0.022 | 25.701 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 130 | THR | 0 | -0.017 | -0.016 | 26.210 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 131 | GLY | 0 | 0.027 | 0.011 | 28.147 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 132 | VAL | 0 | 0.004 | 0.007 | 28.736 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 133 | LEU | 0 | -0.019 | -0.006 | 23.369 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 134 | VAL | 0 | 0.038 | 0.009 | 27.601 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 135 | PRO | 0 | 0.041 | 0.018 | 28.212 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 136 | GLU | -1 | -0.798 | -0.870 | 29.109 | 9.498 | 9.498 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 137 | ASN | 0 | -0.052 | -0.026 | 31.083 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 138 | ARG | 1 | 0.920 | 0.945 | 34.113 | -8.410 | -8.410 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 139 | PRO | 0 | 0.027 | 0.035 | 32.259 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 140 | ARG | 1 | 0.853 | 0.903 | 34.083 | -9.070 | -9.070 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 141 | GLY | 0 | -0.020 | -0.001 | 35.042 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 142 | THR | 0 | -0.010 | -0.015 | 36.801 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 143 | ALA | 0 | 0.002 | 0.005 | 38.125 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 144 | ALA | 0 | -0.031 | -0.019 | 39.208 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 145 | PHE | 0 | -0.056 | -0.035 | 41.766 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 146 | ASP | -1 | -0.827 | -0.913 | 42.526 | 7.067 | 7.067 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 147 | PHE | 0 | -0.031 | -0.029 | 39.142 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 148 | ALA | 0 | -0.016 | 0.007 | 42.244 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 149 | ALA | 0 | -0.039 | -0.022 | 44.213 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 150 | TRP | 0 | -0.081 | -0.053 | 40.759 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 151 | PRO | 0 | 0.027 | -0.005 | 45.060 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 152 | PRO | 0 | 0.008 | 0.022 | 44.830 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 153 | PRO | 0 | 0.039 | 0.019 | 47.776 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 154 | GLU | -1 | -0.841 | -0.927 | 51.429 | 5.741 | 5.741 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 155 | ALA | 0 | -0.057 | 0.003 | 47.997 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 156 | LYS | 1 | 0.808 | 0.894 | 50.105 | -5.830 | -5.830 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 157 | PRO | 0 | 0.012 | 0.001 | 47.763 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 158 | VAL | 0 | -0.057 | -0.027 | 45.724 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 159 | ASP | -1 | -0.826 | -0.889 | 45.819 | 6.723 | 6.723 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 160 | LEU | 0 | 0.016 | -0.003 | 40.432 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 161 | THR | 0 | -0.081 | -0.065 | 43.208 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 162 | GLY | 0 | 0.011 | 0.019 | 43.784 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 163 | ALA | 0 | 0.008 | 0.012 | 42.132 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 164 | TYR | 0 | -0.006 | -0.058 | 34.738 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 165 | ASP | -1 | -0.914 | -0.950 | 38.941 | 7.719 | 7.719 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 166 | VAL | 0 | 0.052 | 0.025 | 41.029 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 167 | LEU | 0 | -0.050 | -0.027 | 37.893 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 168 | ALA | 0 | -0.010 | -0.004 | 37.790 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 169 | ASP | -1 | -0.919 | -0.949 | 38.756 | 7.142 | 7.142 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 170 | VAL | 0 | -0.076 | -0.030 | 40.937 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 171 | GLY | 0 | -0.033 | -0.026 | 38.349 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 172 | TYR | 0 | -0.024 | -0.033 | 34.717 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 173 | GLY | 0 | 0.029 | 0.027 | 33.327 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 174 | TYR | 0 | -0.042 | -0.043 | 31.046 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 175 | GLY | 0 | 0.004 | 0.004 | 30.106 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 176 | PRO | 0 | -0.024 | -0.035 | 29.120 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 177 | THR | 0 | -0.035 | -0.039 | 24.140 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 178 | PHE | 0 | -0.003 | -0.009 | 25.181 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 179 | ARG | 1 | 0.836 | 0.935 | 29.691 | -9.104 | -9.104 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 180 | ALA | 0 | 0.048 | 0.024 | 30.480 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 181 | VAL | 0 | -0.003 | -0.001 | 32.638 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 182 | ARG | 1 | 0.858 | 0.937 | 34.696 | -8.492 | -8.492 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 183 | ALA | 0 | 0.025 | 0.014 | 38.091 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 184 | VAL | 0 | 0.032 | 0.006 | 40.511 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 185 | TRP | 0 | -0.014 | -0.001 | 41.715 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 186 | ARG | 1 | 0.855 | 0.920 | 45.127 | -6.417 | -6.417 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 187 | ARG | 1 | 0.843 | 0.901 | 47.768 | -6.622 | -6.622 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 188 | GLY | 0 | 0.028 | 0.024 | 49.488 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 189 | SER | 0 | -0.042 | -0.024 | 52.098 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 190 | GLY | 0 | 0.062 | 0.033 | 51.578 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 191 | ASN | 0 | -0.025 | -0.036 | 47.370 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 192 | THR | 0 | -0.003 | -0.002 | 48.577 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 193 | THR | 0 | -0.052 | -0.017 | 46.255 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 194 | GLU | -1 | -0.752 | -0.851 | 45.241 | 6.904 | 6.904 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 195 | THR | 0 | -0.045 | -0.026 | 41.690 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 196 | PHE | 0 | -0.008 | -0.003 | 41.574 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 197 | ALA | 0 | 0.018 | 0.004 | 38.424 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 198 | GLU | -1 | -0.834 | -0.887 | 37.464 | 7.827 | 7.827 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 199 | ILE | 0 | -0.033 | -0.021 | 32.029 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 200 | ALA | 0 | -0.022 | -0.021 | 31.443 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 201 | LEU | 0 | -0.002 | 0.011 | 25.054 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 202 | PRO | 0 | 0.001 | 0.016 | 27.369 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 203 | GLU | -1 | -0.761 | -0.869 | 27.098 | 11.003 | 11.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 204 | ASP | -1 | -0.955 | -0.970 | 25.003 | 11.347 | 11.347 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 205 | ALA | 0 | -0.031 | -0.016 | 22.690 | 0.605 | 0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 206 | ARG | 1 | 0.792 | 0.858 | 22.623 | -10.408 | -10.408 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 207 | ALA | 0 | -0.002 | -0.013 | 19.244 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 208 | GLU | -1 | -0.821 | -0.922 | 15.872 | 18.623 | 18.623 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 209 | ALA | 0 | -0.046 | -0.023 | 18.940 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 210 | GLY | 0 | 0.011 | 0.013 | 20.749 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 211 | ARG | 1 | 0.801 | 0.901 | 11.298 | -21.949 | -21.949 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 212 | PHE | 0 | -0.051 | -0.025 | 16.705 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 213 | GLY | 0 | 0.062 | 0.016 | 19.287 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 214 | ILE | 0 | -0.010 | -0.026 | 21.656 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 215 | HIS | 0 | 0.065 | 0.034 | 22.060 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 216 | PRO | 0 | 0.015 | -0.001 | 21.448 | -0.617 | -0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 217 | ALA | 0 | 0.010 | 0.004 | 24.468 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 218 | LEU | 0 | -0.010 | 0.008 | 26.440 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 219 | LEU | 0 | 0.023 | 0.010 | 27.205 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 220 | ASP | -1 | -0.846 | -0.910 | 28.675 | 9.567 | 9.567 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 221 | ALA | 0 | 0.046 | 0.015 | 30.494 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 222 | ALA | 0 | -0.013 | -0.002 | 32.043 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 223 | LEU | 0 | 0.003 | 0.021 | 32.008 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 224 | HIS | 0 | -0.016 | 0.006 | 32.148 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 225 | SER | 0 | 0.006 | -0.002 | 36.307 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 226 | THR | 0 | -0.038 | -0.032 | 38.400 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 227 | MET | 0 | -0.032 | -0.008 | 36.161 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 228 | VAL | 0 | 0.048 | 0.020 | 37.972 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 229 | SER | 0 | 0.020 | 0.010 | 40.916 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 230 | ALA | 0 | -0.047 | -0.026 | 43.702 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 231 | ALA | 0 | -0.021 | -0.002 | 42.701 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 232 | ALA | 0 | 0.015 | 0.023 | 44.645 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 233 | ASP | -1 | -1.020 | -0.997 | 46.719 | 5.973 | 5.973 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 241 | VAL | 0 | 0.008 | 0.034 | 36.595 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 242 | ARG | 1 | 0.840 | 0.920 | 38.777 | -7.738 | -7.738 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 243 | LEU | 0 | 0.037 | 0.026 | 32.523 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 244 | PRO | 0 | 0.031 | 0.005 | 31.560 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | PHE | 0 | -0.027 | -0.007 | 33.255 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | ALA | 0 | 0.058 | 0.025 | 33.678 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | TRP | 0 | 0.009 | 0.004 | 30.320 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | ASN | 0 | 0.008 | -0.007 | 33.019 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | GLY | 0 | 0.052 | 0.021 | 33.620 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | LEU | 0 | -0.064 | -0.027 | 27.644 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | ARG | 1 | 0.819 | 0.876 | 29.314 | -9.308 | -9.308 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | LEU | 0 | -0.004 | 0.012 | 23.703 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | HIS | 0 | -0.049 | -0.037 | 27.818 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | ALA | 0 | 0.014 | 0.011 | 27.170 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | ALA | 0 | 0.008 | 0.002 | 22.068 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | GLY | 0 | -0.015 | 0.011 | 21.982 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | ALA | 0 | -0.018 | -0.004 | 22.851 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | SER | 0 | 0.023 | -0.012 | 25.496 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | VAL | 0 | -0.045 | -0.032 | 27.380 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | LEU | 0 | -0.010 | -0.005 | 30.409 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | ARG | 1 | 0.823 | 0.901 | 33.563 | -8.133 | -8.133 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | VAL | 0 | -0.004 | -0.016 | 34.443 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | ARG | 1 | 0.871 | 0.921 | 37.446 | -7.550 | -7.550 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | VAL | 0 | 0.016 | 0.007 | 37.650 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | ALA | 0 | 0.000 | -0.004 | 40.328 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | LYS | 1 | 0.897 | 0.946 | 42.072 | -6.585 | -6.585 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | PRO | 0 | -0.028 | 0.001 | 41.479 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | GLU | -1 | -0.836 | -0.908 | 44.600 | 6.486 | 6.486 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | ARG | 1 | 0.876 | 0.934 | 45.822 | -6.083 | -6.083 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | ASP | -1 | -0.895 | -0.946 | 43.073 | 7.327 | 7.327 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | SER | 0 | -0.049 | -0.026 | 40.658 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | LEU | 0 | -0.048 | -0.030 | 38.038 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | SER | 0 | -0.002 | 0.005 | 38.020 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | LEU | 0 | -0.011 | -0.015 | 32.941 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | GLU | -1 | -0.817 | -0.901 | 35.991 | 8.248 | 8.248 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | ALA | 0 | 0.018 | 0.002 | 33.053 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | VAL | 0 | 0.029 | 0.022 | 33.937 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | ASP | -1 | -0.772 | -0.855 | 31.402 | 9.666 | 9.666 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | GLU | -1 | -0.814 | -0.893 | 33.442 | 8.073 | 8.073 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | SER | 0 | -0.126 | -0.080 | 34.202 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | GLY | 0 | -0.014 | -0.010 | 36.568 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | GLY | 0 | -0.010 | 0.007 | 33.785 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | LEU | 0 | -0.029 | -0.017 | 33.243 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | VAL | 0 | -0.013 | 0.004 | 28.063 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | VAL | 0 | 0.001 | -0.014 | 29.186 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | THR | 0 | 0.004 | 0.012 | 31.009 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | LEU | 0 | -0.043 | -0.017 | 32.442 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | ASP | -1 | -0.800 | -0.877 | 34.338 | 8.485 | 8.485 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | SER | 0 | -0.014 | -0.011 | 36.375 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | LEU | 0 | -0.018 | 0.007 | 33.545 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | VAL | 0 | 0.067 | 0.044 | 36.614 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | GLY | 0 | 0.066 | 0.022 | 36.503 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | ARG | 1 | 0.828 | 0.922 | 36.563 | -8.559 | -8.559 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | PRO | 0 | 0.025 | 0.023 | 37.886 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |