![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R9G68
Calculation Name: 3D0C-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3D0C
Chain ID: A
UniProt ID: Q8EMJ7
Base Structure: X-ray
Registration Date: 2023-09-19
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 | OptH |
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 | 302 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4451278.8121 |
---|---|
FMO2-HF: Nuclear repulsion | 4335270.273307 |
FMO2-HF: Total energy | -116008.538793 |
FMO2-MP2: Total energy | -116352.535219 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F029230/ligand_interaction/ligand_F029230.png)
Ligand Interaction
![ligand interaction](./Kdata/F029230/ligand_interaction/ligand_interaction_F029230.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:1:LEU)
Summations of interaction energy for
fragment #1(A:1:LEU)
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. |
-5.376 | -1.027 | 3.465 | -1.532 | -6.281 | -0.01 |
Interaction energy analysis for fragmet #1(A:1:LEU)
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 | 3 | TYR | 0 | 0.082 | 0.023 | 2.581 | -2.810 | -0.135 | 2.966 | -1.448 | -4.194 | -0.006 |
4 | A | 4 | GLY | 0 | -0.012 | -0.005 | 3.289 | 0.953 | 0.655 | 0.021 | 0.478 | -0.201 | 0.000 |
5 | A | 5 | GLU | -1 | -0.861 | -0.921 | 5.280 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | PHE | 0 | -0.017 | -0.012 | 2.698 | -1.469 | 0.078 | 0.477 | -0.507 | -1.517 | -0.004 |
7 | A | 7 | SER | 0 | -0.007 | -0.016 | 4.834 | 0.273 | 0.345 | -0.001 | -0.004 | -0.067 | 0.000 |
8 | A | 8 | LYS | 1 | 0.856 | 0.922 | 7.696 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.917 | 0.963 | 5.013 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PHE | 0 | -0.052 | -0.032 | 7.503 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | SER | 0 | -0.049 | -0.001 | 12.231 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | THR | 0 | 0.105 | 0.043 | 14.453 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ILE | 0 | -0.025 | 0.000 | 16.998 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | SER | 0 | -0.060 | -0.029 | 14.936 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | 0.030 | 0.004 | 16.645 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ILE | 0 | -0.083 | -0.034 | 17.882 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ASN | 0 | 0.046 | 0.025 | 19.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ILE | 0 | -0.009 | -0.002 | 21.821 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | VAL | 0 | 0.013 | 0.002 | 23.772 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | PRO | 0 | -0.024 | 0.021 | 26.066 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PHE | 0 | 0.000 | 0.000 | 28.511 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LEU | 0 | -0.050 | -0.044 | 32.107 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLU | -1 | -0.942 | -0.980 | 35.253 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | 0.004 | 0.009 | 38.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | THR | 0 | -0.063 | -0.035 | 36.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ARG | 1 | 0.954 | 1.003 | 34.702 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLU | -1 | -0.893 | -0.939 | 32.904 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ILE | 0 | 0.046 | 0.023 | 26.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ASP | -1 | -0.837 | -0.905 | 30.010 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | TRP | 0 | 0.034 | -0.013 | 23.481 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LYS | 1 | 0.772 | 0.892 | 26.954 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLY | 0 | 0.043 | 0.007 | 28.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | -0.004 | -0.001 | 22.210 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ASP | -1 | -0.778 | -0.892 | 23.606 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASP | -1 | -0.790 | -0.902 | 24.182 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ASN | 0 | -0.018 | -0.009 | 23.883 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.038 | 0.008 | 19.105 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLU | -1 | -0.816 | -0.901 | 21.178 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | PHE | 0 | -0.049 | -0.008 | 23.255 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LEU | 0 | -0.004 | 0.004 | 20.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.007 | 0.001 | 16.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLN | 0 | -0.070 | -0.022 | 20.321 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ASN | 0 | -0.121 | -0.097 | 23.275 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLY | 0 | 0.028 | 0.022 | 20.604 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ILE | 0 | -0.059 | -0.015 | 16.709 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.872 | -0.934 | 13.751 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | VAL | 0 | -0.034 | -0.011 | 11.486 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ILE | 0 | 0.013 | 0.012 | 13.385 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.062 | -0.050 | 13.852 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | PRO | 0 | 0.036 | 0.043 | 14.461 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASN | 0 | 0.006 | -0.022 | 17.094 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | GLY | 0 | 0.094 | 0.052 | 19.559 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ASN | 0 | -0.003 | -0.033 | 20.287 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | THR | 0 | -0.023 | -0.004 | 23.121 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLY | 0 | 0.025 | 0.021 | 23.083 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | GLU | -1 | -0.783 | -0.905 | 24.062 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | PHE | 0 | 0.019 | 0.019 | 21.272 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | -0.018 | -0.028 | 24.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ALA | 0 | -0.019 | 0.013 | 27.064 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LEU | 0 | -0.049 | -0.008 | 23.876 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | THR | 0 | -0.001 | 0.005 | 27.396 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | 0.033 | -0.005 | 23.185 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLU | -1 | -0.967 | -0.986 | 23.666 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLU | -1 | -0.732 | -0.861 | 24.466 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ALA | 0 | 0.021 | 0.016 | 21.530 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LYS | 1 | 0.847 | 0.899 | 19.614 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLN | 0 | 0.009 | 0.012 | 19.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | VAL | 0 | 0.011 | 0.012 | 20.276 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ALA | 0 | -0.013 | -0.006 | 15.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | THR | 0 | -0.012 | -0.008 | 16.548 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ARG | 1 | 0.840 | 0.909 | 17.710 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | VAL | 0 | -0.020 | -0.014 | 16.219 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | THR | 0 | -0.007 | -0.003 | 12.250 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLU | -1 | -0.943 | -0.976 | 14.718 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LEU | 0 | -0.064 | -0.002 | 16.810 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | VAL | 0 | -0.016 | -0.006 | 13.672 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ASN | 0 | -0.046 | -0.023 | 14.412 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLY | 0 | 0.007 | 0.001 | 11.088 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ARG | 1 | 0.697 | 0.833 | 12.034 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | ALA | 0 | 0.021 | 0.015 | 12.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | THR | 0 | -0.042 | -0.007 | 7.553 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | VAL | 0 | -0.003 | -0.012 | 9.417 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | VAL | 0 | -0.055 | -0.033 | 9.564 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ALA | 0 | 0.047 | 0.009 | 11.477 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | -0.019 | 0.004 | 13.810 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ILE | 0 | -0.019 | -0.006 | 14.557 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLY | 0 | 0.055 | 0.004 | 17.930 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | TYR | 0 | 0.043 | 0.018 | 21.035 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | SER | 0 | -0.021 | 0.002 | 23.349 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | VAL | 0 | 0.088 | 0.031 | 20.197 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ASP | -1 | -0.859 | -0.931 | 20.258 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | THR | 0 | -0.030 | -0.013 | 21.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ALA | 0 | 0.000 | 0.020 | 18.284 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ILE | 0 | 0.046 | 0.013 | 16.011 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLU | -1 | -0.897 | -0.907 | 16.442 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | -0.034 | -0.034 | 17.944 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | GLY | 0 | 0.008 | 0.006 | 14.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | LYS | 1 | 0.963 | 0.962 | 13.036 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | SER | 0 | 0.001 | 0.009 | 13.898 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ALA | 0 | -0.006 | 0.001 | 13.431 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | 0.005 | -0.001 | 8.232 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.980 | -0.971 | 10.649 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | SER | 0 | -0.031 | -0.013 | 13.000 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | GLY | 0 | -0.015 | -0.012 | 10.201 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | -0.060 | -0.020 | 9.451 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ASP | -1 | -0.832 | -0.910 | 5.373 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | CYS | 0 | -0.076 | -0.025 | 5.257 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | VAL | 0 | 0.002 | 0.028 | 7.731 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | MET | 0 | -0.024 | -0.028 | 11.314 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ILE | 0 | -0.020 | -0.005 | 14.166 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | HIS | 0 | -0.040 | -0.036 | 16.684 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | GLN | 0 | 0.016 | 0.002 | 20.135 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | PRO | 0 | -0.002 | -0.008 | 22.087 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | VAL | 0 | 0.021 | 0.013 | 24.372 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | HIS | 0 | -0.040 | -0.018 | 25.233 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | PRO | 0 | 0.006 | 0.011 | 29.380 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | -0.056 | -0.034 | 31.725 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ILE | 0 | 0.037 | 0.023 | 24.668 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | 0.003 | 0.004 | 28.275 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ASP | -1 | -0.757 | -0.887 | 26.053 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | 0.002 | -0.009 | 24.929 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | 0.007 | 0.008 | 25.062 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ALA | 0 | 0.007 | 0.002 | 22.970 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | 0.002 | 0.002 | 20.061 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLU | -1 | -0.904 | -0.951 | 19.851 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | TYR | 0 | -0.095 | -0.058 | 20.364 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | 0.012 | -0.022 | 16.765 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ARG | 1 | 0.914 | 0.974 | 15.694 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ASN | 0 | 0.023 | 0.004 | 15.641 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ILE | 0 | -0.025 | -0.007 | 14.818 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ILE | 0 | -0.005 | -0.004 | 10.425 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | GLU | -1 | -0.948 | -0.988 | 11.355 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | -0.048 | -0.014 | 12.994 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | LEU | 0 | -0.067 | -0.021 | 10.325 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | ASP | -1 | -0.941 | -0.957 | 8.119 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ALA | 0 | 0.012 | -0.005 | 4.838 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | PRO | 0 | -0.028 | -0.003 | 3.883 | -0.223 | 0.086 | 0.003 | -0.050 | -0.261 | 0.000 |
138 | A | 138 | SER | 0 | 0.011 | -0.017 | 6.351 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ILE | 0 | -0.013 | 0.002 | 9.668 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ILE | 0 | -0.015 | -0.002 | 11.898 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | TYR | 0 | -0.020 | 0.007 | 15.539 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | PHE | 0 | 0.010 | 0.003 | 18.595 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LYS | 1 | 0.940 | 0.964 | 20.962 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.845 | -0.920 | 24.528 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ALA | 0 | 0.008 | -0.009 | 26.892 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | HIS | 0 | -0.043 | -0.014 | 28.969 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.026 | 0.018 | 24.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | SER | 0 | 0.039 | 0.020 | 26.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ASP | -1 | -0.739 | -0.843 | 23.409 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASP | -1 | -0.891 | -0.972 | 22.291 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | VAL | 0 | -0.035 | -0.006 | 20.231 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ILE | 0 | 0.009 | 0.004 | 17.194 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LYS | 1 | 0.846 | 0.922 | 17.681 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | GLU | -1 | -0.935 | -0.968 | 18.825 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LEU | 0 | -0.032 | -0.016 | 15.383 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ALA | 0 | -0.026 | -0.006 | 13.955 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PRO | 0 | -0.055 | -0.036 | 12.693 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | LEU | 0 | -0.023 | 0.004 | 11.223 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASP | -1 | -0.863 | -0.934 | 6.282 | -1.325 | -1.325 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | LYS | 1 | 0.832 | 0.915 | 6.226 | 0.879 | 0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.039 | 0.004 | 7.278 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | VAL | 0 | 0.072 | 0.032 | 4.737 | -0.057 | -0.013 | -0.001 | -0.001 | -0.041 | 0.000 |
163 | A | 163 | GLY | 0 | 0.016 | -0.005 | 8.189 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ILE | 0 | -0.033 | -0.014 | 11.472 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | LYS | 1 | 0.918 | 0.977 | 14.212 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | TYR | 0 | -0.028 | -0.058 | 17.395 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ALA | 0 | 0.004 | -0.011 | 20.448 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ILE | 0 | -0.010 | 0.021 | 23.498 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ASN | 0 | 0.001 | 0.009 | 26.352 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ASP | -1 | -0.841 | -0.927 | 27.976 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ILE | 0 | 0.039 | -0.007 | 27.604 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLN | 0 | -0.011 | 0.005 | 28.535 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ARG | 1 | 0.794 | 0.853 | 25.806 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.024 | 0.029 | 22.595 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | THR | 0 | 0.019 | -0.001 | 23.549 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLN | 0 | -0.087 | -0.052 | 24.956 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | VAL | 0 | -0.002 | 0.006 | 20.378 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | MET | 0 | -0.033 | 0.002 | 19.590 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ARG | 1 | 0.900 | 0.961 | 20.686 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ALA | 0 | -0.082 | -0.033 | 22.414 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | VAL | 0 | -0.001 | 0.010 | 15.799 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | PRO | 0 | 0.003 | 0.016 | 16.399 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LYS | 1 | 1.052 | 0.998 | 14.098 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | SER | 0 | -0.100 | -0.052 | 12.892 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | SER | 0 | 0.014 | 0.003 | 11.684 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASN | 0 | -0.039 | -0.004 | 8.143 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | VAL | 0 | 0.037 | 0.032 | 9.231 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ALA | 0 | -0.006 | 0.008 | 10.986 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | PHE | 0 | 0.011 | -0.007 | 12.721 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ILE | 0 | -0.006 | 0.008 | 13.110 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | CYS | 0 | -0.006 | 0.013 | 17.272 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | GLY | 0 | 0.009 | -0.013 | 20.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | -0.108 | -0.090 | 21.225 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ALA | 0 | 0.016 | 0.018 | 23.488 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.662 | -0.803 | 24.845 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | LYS | 1 | 0.893 | 0.962 | 27.228 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | TRP | 0 | 0.003 | -0.024 | 26.740 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | 0.026 | 0.021 | 24.460 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | PRO | 0 | 0.064 | 0.032 | 25.294 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PHE | 0 | -0.020 | -0.008 | 27.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | PHE | 0 | -0.019 | -0.023 | 22.245 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | TYR | 0 | 0.060 | 0.033 | 20.095 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | -0.049 | -0.004 | 24.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ALA | 0 | -0.063 | -0.034 | 24.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLY | 0 | -0.031 | -0.028 | 22.006 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ALA | 0 | -0.059 | -0.026 | 19.253 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | VAL | 0 | -0.005 | -0.006 | 14.665 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | GLY | 0 | 0.108 | 0.063 | 17.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PHE | 0 | -0.101 | -0.049 | 18.131 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | 0.001 | 0.008 | 18.147 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | SER | 0 | 0.031 | -0.012 | 20.162 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLY | 0 | 0.006 | 0.002 | 22.272 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LEU | 0 | 0.059 | 0.027 | 24.974 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | VAL | 0 | 0.018 | 0.009 | 21.659 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASN | 0 | -0.031 | -0.029 | 23.833 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | VAL | 0 | -0.047 | -0.028 | 26.178 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | PHE | 0 | 0.054 | 0.014 | 28.993 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | PRO | 0 | 0.019 | 0.020 | 25.073 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | GLN | 0 | 0.035 | 0.009 | 26.146 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LYS | 1 | 0.881 | 0.945 | 28.438 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | SER | 0 | -0.015 | -0.031 | 24.515 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PHE | 0 | 0.034 | -0.007 | 19.954 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | -0.016 | 0.017 | 25.063 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.029 | -0.013 | 26.473 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | LEU | 0 | -0.022 | -0.013 | 20.038 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.910 | -0.944 | 24.175 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ALA | 0 | -0.003 | -0.004 | 25.718 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | -0.062 | -0.052 | 24.180 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | GLU | -1 | -0.980 | -0.986 | 20.135 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | GLU | -1 | -0.992 | -0.990 | 24.218 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLY | 0 | -0.054 | -0.016 | 27.571 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ASN | 0 | -0.022 | -0.003 | 29.129 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLN | 0 | 0.039 | -0.010 | 30.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | GLU | -1 | -0.926 | -0.960 | 33.441 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | LYS | 1 | 0.978 | 0.996 | 32.096 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ILE | 0 | -0.015 | 0.000 | 28.941 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TRP | 0 | -0.024 | -0.027 | 31.651 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ASP | -1 | -0.839 | -0.911 | 34.572 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | VAL | 0 | -0.071 | -0.046 | 30.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | TRP | 0 | -0.073 | -0.033 | 30.909 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLU | -1 | -0.964 | -0.992 | 32.736 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASP | -1 | -0.800 | -0.876 | 34.561 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | VAL | 0 | 0.008 | -0.009 | 30.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | -0.021 | 0.004 | 33.110 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | 0.016 | 0.007 | 34.228 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | 0.013 | 0.015 | 29.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | GLU | -1 | -0.855 | -0.945 | 28.533 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.879 | -0.948 | 32.284 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LEU | 0 | -0.021 | -0.011 | 35.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ARG | 1 | 0.769 | 0.868 | 26.331 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | 0.023 | 0.004 | 32.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LYS | 1 | 0.825 | 0.925 | 34.095 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | HIS | 0 | -0.078 | -0.054 | 36.787 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ASN | 0 | -0.048 | -0.024 | 35.032 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ASN | 0 | -0.017 | -0.014 | 31.329 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLY | 0 | -0.010 | 0.011 | 32.607 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ASN | 0 | -0.004 | -0.020 | 34.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ASN | 0 | -0.029 | 0.012 | 27.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | VAL | 0 | 0.069 | 0.031 | 27.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | VAL | 0 | 0.020 | 0.016 | 30.400 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ILE | 0 | 0.017 | 0.014 | 33.013 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ILE | 0 | -0.006 | -0.002 | 27.250 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LYS | 1 | 0.805 | 0.898 | 29.406 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | GLU | -1 | -0.750 | -0.885 | 32.616 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ALA | 0 | -0.008 | 0.003 | 33.293 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | MET | 0 | -0.013 | -0.010 | 28.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | GLU | -1 | -0.782 | -0.875 | 33.247 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLN | 0 | -0.034 | -0.010 | 36.324 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | -0.065 | -0.023 | 33.400 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLY | 0 | -0.058 | -0.025 | 36.267 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | LEU | 0 | -0.072 | -0.037 | 30.073 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ARG | 1 | 0.869 | 0.927 | 31.387 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ALA | 0 | -0.017 | -0.019 | 30.712 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLY | 0 | -0.028 | -0.007 | 31.960 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | VAL | 0 | -0.016 | -0.014 | 34.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | THR | 0 | -0.022 | -0.027 | 31.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ARG | 1 | 0.719 | 0.840 | 30.328 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLU | -1 | -0.901 | -0.941 | 33.924 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | PRO | 0 | -0.064 | -0.039 | 33.116 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | VAL | 0 | 0.013 | -0.001 | 33.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASN | 0 | -0.021 | -0.003 | 36.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PRO | 0 | -0.005 | -0.013 | 38.152 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | LEU | 0 | 0.034 | 0.031 | 37.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | SER | 0 | -0.023 | -0.004 | 40.469 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | PRO | 0 | 0.003 | -0.029 | 43.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ASN | 0 | 0.012 | -0.005 | 45.831 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | ASP | -1 | -0.682 | -0.816 | 40.500 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ARG | 1 | 0.793 | 0.908 | 41.444 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | LEU | 0 | 0.013 | 0.010 | 42.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | GLU | -1 | -0.899 | -0.956 | 41.963 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | LEU | 0 | -0.030 | -0.009 | 36.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | GLU | -1 | -0.946 | -0.976 | 40.080 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | GLU | -1 | -0.975 | -0.994 | 42.296 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | LEU | 0 | -0.027 | 0.006 | 36.263 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | LEU | 0 | 0.015 | 0.003 | 36.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | LYS | 1 | 0.911 | 0.966 | 39.536 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | SER | 0 | -0.044 | -0.029 | 41.551 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | TRP | 0 | 0.032 | -0.013 | 33.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ASN | 0 | -0.032 | -0.006 | 39.308 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | THR | 0 | -0.093 | -0.044 | 41.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | GLN | 0 | -0.115 | -0.052 | 37.561 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | GLU | -1 | -1.016 | -0.991 | 36.360 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |