![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 7211K
Calculation Name: 3LPZ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LPZ
Chain ID: A
UniProt ID: G0S7T3
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 | 321 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4237111.432967 |
---|---|
FMO2-HF: Nuclear repulsion | 4113056.182958 |
FMO2-HF: Total energy | -124055.250009 |
FMO2-MP2: Total energy | -124420.068818 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F030094/ligand_interaction/ligand_F030094.png)
Ligand Interaction
![ligand interaction](./Kdata/F030094/ligand_interaction/ligand_interaction_F030094.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:3:ASN)
Summations of interaction energy for
fragment #1(A:3:ASN)
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. |
-74.233 | -68.574 | 18.771 | -12.226 | -12.203 | -0.036 |
Interaction energy analysis for fragmet #1(A:3:ASN)
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 | 5 | ILE | 0 | 0.007 | -0.003 | 3.184 | -3.252 | -1.071 | -0.001 | -0.926 | -1.253 | 0.005 |
4 | A | 6 | GLU | -1 | -0.789 | -0.897 | 1.905 | -42.178 | -37.884 | 9.600 | -7.270 | -6.624 | -0.089 |
5 | A | 7 | ARG | 1 | 0.942 | 0.961 | 1.852 | -28.805 | -29.621 | 9.172 | -4.030 | -4.326 | 0.048 |
6 | A | 8 | ILE | 0 | -0.089 | -0.037 | 6.167 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | ILE | 0 | 0.039 | 0.019 | 7.708 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ALA | 0 | 0.041 | 0.035 | 7.824 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | ARG | 1 | 0.865 | 0.931 | 9.711 | -0.708 | -0.708 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | LEU | 0 | -0.033 | -0.018 | 11.833 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | GLN | 0 | -0.009 | -0.023 | 11.733 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | ARG | 1 | 0.868 | 0.936 | 13.034 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | ARG | 1 | 0.845 | 0.901 | 15.217 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | ILE | 0 | -0.037 | -0.017 | 17.018 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | ALA | 0 | -0.041 | -0.016 | 17.743 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLU | -1 | -0.870 | -0.928 | 17.851 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | GLY | 0 | -0.022 | 0.014 | 21.257 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | GLN | 0 | 0.025 | 0.001 | 23.229 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | PRO | 0 | 0.068 | 0.019 | 25.895 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | GLU | -1 | -0.925 | -0.956 | 26.624 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | GLU | -1 | -0.829 | -0.907 | 22.062 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | GLN | 0 | -0.048 | -0.034 | 21.978 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | TYR | 0 | 0.020 | 0.009 | 22.156 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | GLU | -1 | -0.872 | -0.944 | 22.929 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | ALA | 0 | -0.010 | 0.007 | 18.141 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | ALA | 0 | 0.014 | 0.019 | 18.431 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | GLN | 0 | 0.030 | 0.018 | 19.883 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | GLU | -1 | -0.865 | -0.913 | 15.648 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | THR | 0 | -0.017 | -0.041 | 14.653 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | ARG | 1 | 0.901 | 0.951 | 16.001 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | LEU | 0 | -0.024 | 0.005 | 18.179 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | VAL | 0 | -0.040 | -0.032 | 11.615 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | ALA | 0 | 0.031 | 0.015 | 13.616 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | ALA | 0 | 0.021 | 0.012 | 14.623 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | ARG | 1 | 0.909 | 0.954 | 14.737 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | TYR | 0 | 0.033 | 0.010 | 8.424 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | SER | 0 | 0.043 | 0.016 | 13.335 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | LYS | 1 | 0.914 | 0.969 | 16.313 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | GLN | 0 | -0.067 | -0.025 | 13.109 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | GLY | 0 | 0.058 | 0.041 | 16.013 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | ASN | 0 | -0.042 | -0.018 | 8.449 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | TRP | 0 | 0.099 | 0.016 | 12.377 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | ALA | 0 | 0.024 | 0.019 | 10.362 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | ALA | 0 | 0.009 | 0.009 | 8.214 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | ALA | 0 | -0.002 | 0.003 | 9.367 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | VAL | 0 | 0.028 | 0.008 | 12.743 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | ASP | -1 | -0.830 | -0.904 | 8.868 | -2.484 | -2.484 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ILE | 0 | -0.033 | -0.020 | 9.003 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | LEU | 0 | 0.001 | 0.000 | 11.555 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | ALA | 0 | 0.030 | 0.013 | 14.267 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | SER | 0 | -0.032 | -0.014 | 11.606 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | VAL | 0 | 0.013 | 0.006 | 13.376 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | SER | 0 | -0.030 | -0.009 | 15.773 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | GLN | 0 | 0.010 | -0.016 | 16.500 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | THR | 0 | -0.030 | -0.020 | 15.990 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | LEU | 0 | -0.005 | 0.019 | 18.522 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | LEU | 0 | -0.028 | -0.007 | 21.307 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | ARG | 1 | 0.920 | 0.961 | 19.464 | 0.855 | 0.855 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | SER | 0 | -0.037 | -0.017 | 21.291 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | GLY | 0 | 0.013 | 0.007 | 23.913 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | GLN | 0 | -0.019 | 0.000 | 24.315 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | GLY | 0 | 0.006 | 0.000 | 25.423 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | GLY | 0 | 0.056 | 0.029 | 27.275 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | SER | 0 | 0.044 | 0.012 | 23.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | GLY | 0 | 0.054 | 0.015 | 22.103 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | GLY | 0 | 0.025 | 0.007 | 22.686 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | ASP | -1 | -0.918 | -0.952 | 24.920 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | LEU | 0 | -0.082 | -0.057 | 18.038 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | ALA | 0 | 0.014 | 0.023 | 20.420 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | VAL | 0 | -0.011 | -0.020 | 21.985 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | LEU | 0 | -0.003 | 0.004 | 19.769 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | LEU | 0 | -0.005 | 0.017 | 16.468 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | VAL | 0 | 0.003 | 0.002 | 19.622 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | ASP | -1 | -0.883 | -0.938 | 22.626 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | THR | 0 | -0.051 | -0.037 | 16.490 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | PHE | 0 | 0.010 | -0.012 | 16.847 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | ARG | 1 | 0.767 | 0.852 | 20.536 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | GLN | 0 | -0.063 | -0.021 | 21.175 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ALA | 0 | -0.028 | -0.008 | 18.296 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | GLY | 0 | -0.009 | 0.006 | 20.097 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | GLN | 0 | -0.116 | -0.053 | 18.011 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | ARG | 1 | 0.903 | 0.947 | 21.174 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | VAL | 0 | -0.039 | -0.005 | 22.457 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | ASP | -1 | -0.804 | -0.862 | 19.798 | -0.818 | -0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | GLY | 0 | 0.014 | 0.000 | 21.800 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | ALA | 0 | 0.024 | 0.010 | 16.197 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | SER | 0 | -0.023 | -0.042 | 18.069 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | ARG | 1 | 0.820 | 0.879 | 19.329 | 0.579 | 0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | GLY | 0 | 0.027 | 0.009 | 20.161 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | LYS | 1 | 0.844 | 0.920 | 12.272 | 1.703 | 1.703 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | LEU | 0 | -0.011 | 0.004 | 18.662 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | LEU | 0 | 0.011 | -0.004 | 21.961 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | GLY | 0 | 0.000 | 0.013 | 20.478 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | CYS | 0 | -0.051 | -0.036 | 19.976 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | LEU | 0 | -0.004 | -0.006 | 22.343 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | ARG | 1 | 0.939 | 0.963 | 25.358 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | LEU | 0 | -0.034 | -0.007 | 21.122 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | PHE | 0 | -0.034 | 0.003 | 25.318 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | GLN | 0 | 0.049 | 0.024 | 28.058 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | PRO | 0 | 0.067 | 0.030 | 31.327 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | GLY | 0 | -0.001 | -0.008 | 34.231 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | GLU | -1 | -0.880 | -0.926 | 29.482 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | PRO | 0 | -0.010 | -0.015 | 32.959 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | VAL | 0 | 0.009 | -0.001 | 27.920 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | ARG | 1 | 0.758 | 0.853 | 29.476 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | LYS | 1 | 0.975 | 0.989 | 30.541 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ARG | 1 | 0.930 | 0.960 | 28.337 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | PHE | 0 | 0.005 | 0.000 | 23.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | VAL | 0 | 0.030 | 0.013 | 28.256 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | LYS | 1 | 0.885 | 0.943 | 30.401 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | GLU | -1 | -0.798 | -0.885 | 27.642 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | MET | 0 | 0.030 | 0.037 | 25.363 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | ILE | 0 | 0.013 | 0.000 | 27.331 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | ASP | -1 | -0.853 | -0.881 | 30.554 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | TRP | 0 | -0.010 | -0.012 | 22.548 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | SER | 0 | -0.007 | -0.028 | 27.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | LYS | 1 | 0.878 | 0.955 | 28.618 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | LYS | 1 | 0.826 | 0.896 | 30.072 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | PHE | 0 | -0.001 | -0.006 | 25.600 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | GLY | 0 | 0.058 | 0.024 | 27.024 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | ASP | -1 | -0.901 | -0.945 | 29.128 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | TYR | 0 | 0.000 | 0.005 | 32.106 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | PRO | 0 | 0.081 | 0.044 | 33.868 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ALA | 0 | 0.001 | -0.002 | 35.818 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | GLY | 0 | -0.019 | -0.012 | 32.608 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | ASP | -1 | -0.747 | -0.867 | 28.788 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | PRO | 0 | 0.029 | 0.021 | 31.045 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | GLU | -1 | -0.866 | -0.937 | 26.969 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | LEU | 0 | -0.004 | -0.011 | 25.758 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | HIS | 1 | 0.795 | 0.878 | 29.781 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | HIS | 0 | 0.032 | 0.033 | 32.429 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | VAL | 0 | 0.011 | 0.016 | 28.662 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | VAL | 0 | 0.003 | 0.008 | 30.726 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | GLY | 0 | 0.016 | 0.010 | 32.889 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | THR | 0 | -0.054 | -0.048 | 33.592 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | LEU | 0 | 0.008 | 0.001 | 30.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | TYR | 0 | -0.041 | -0.023 | 34.652 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | VAL | 0 | 0.003 | -0.002 | 37.710 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | GLU | -1 | -0.966 | -0.981 | 34.272 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | GLU | -1 | -0.804 | -0.866 | 34.645 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | GLY | 0 | 0.000 | 0.011 | 39.223 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | GLU | -1 | -0.937 | -0.963 | 39.810 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | PHE | 0 | 0.036 | -0.018 | 41.606 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | GLU | -1 | -0.795 | -0.886 | 43.803 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | ALA | 0 | -0.035 | -0.017 | 39.613 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | ALA | 0 | 0.009 | -0.008 | 39.192 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | GLU | -1 | -0.752 | -0.806 | 40.184 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | LYS | 1 | 0.813 | 0.887 | 40.849 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | HIS | 0 | 0.004 | 0.025 | 34.582 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | LEU | 0 | 0.050 | 0.022 | 37.453 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | VAL | 0 | -0.009 | 0.007 | 39.352 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | LEU | 0 | -0.068 | -0.031 | 37.558 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | GLY | 0 | 0.024 | 0.023 | 35.699 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | THR | 0 | -0.004 | 0.001 | 32.679 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | LYS | 1 | 0.793 | 0.860 | 35.277 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | GLU | -1 | -0.735 | -0.859 | 34.530 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | SER | 0 | -0.037 | -0.040 | 36.719 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | PRO | 0 | -0.013 | 0.003 | 38.919 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | GLU | -1 | -0.803 | -0.876 | 41.539 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | VAL | 0 | 0.004 | 0.000 | 37.776 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | LEU | 0 | 0.011 | 0.008 | 41.222 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | ALA | 0 | 0.017 | 0.008 | 43.438 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | ARG | 1 | 0.854 | 0.896 | 43.417 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | MET | 0 | -0.037 | 0.029 | 43.212 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | GLH | 0 | -0.037 | -0.070 | 45.290 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | TYR | 0 | -0.063 | -0.067 | 48.529 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | GLU | -1 | -0.809 | -0.905 | 46.222 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | TRP | 0 | -0.057 | -0.019 | 47.660 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | TYR | 0 | -0.042 | -0.036 | 50.285 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | LYS | 1 | 0.821 | 0.905 | 50.049 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | GLN | 0 | -0.111 | -0.046 | 48.936 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | ASP | -1 | -0.822 | -0.870 | 54.424 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | GLU | -1 | -0.867 | -0.923 | 57.197 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | SER | 0 | 0.029 | 0.009 | 59.800 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | HIS | 0 | -0.035 | -0.033 | 60.790 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | THR | 0 | 0.025 | 0.002 | 58.065 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | ALA | 0 | 0.026 | 0.016 | 56.727 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | PRO | 0 | -0.030 | -0.036 | 56.073 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | LEU | 0 | 0.023 | 0.010 | 56.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | TYR | 0 | -0.030 | -0.028 | 51.386 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | CYS | 0 | -0.073 | -0.020 | 51.530 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | ALA | 0 | 0.012 | -0.005 | 51.875 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | ARG | 1 | 0.849 | 0.889 | 48.385 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | ALA | 0 | -0.006 | 0.006 | 47.448 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | VAL | 0 | -0.041 | -0.022 | 47.692 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | LEU | 0 | 0.002 | -0.008 | 49.841 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | PRO | 0 | 0.032 | 0.019 | 46.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | TYR | 0 | -0.015 | -0.021 | 41.206 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | LEU | 0 | -0.015 | 0.005 | 46.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | LEU | 0 | 0.030 | 0.021 | 48.711 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | VAL | 0 | -0.055 | -0.003 | 43.226 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | ALA | 0 | -0.014 | -0.003 | 44.799 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ASN | 0 | 0.002 | 0.002 | 41.638 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | VAL | 0 | 0.102 | 0.034 | 45.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | ARG | 1 | 0.918 | 0.969 | 41.044 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | ALA | 0 | 0.004 | 0.006 | 43.170 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | ALA | 0 | 0.064 | 0.035 | 45.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | ASN | 0 | -0.047 | -0.039 | 48.498 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | THR | 0 | -0.034 | -0.014 | 43.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | ALA | 0 | 0.035 | 0.019 | 46.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | TYR | 0 | 0.021 | -0.003 | 47.612 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | ARG | 1 | 0.854 | 0.958 | 49.491 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | ILE | 0 | -0.003 | 0.018 | 45.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | PHE | 0 | 0.029 | 0.016 | 48.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | THR | 0 | -0.026 | -0.034 | 50.980 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | SER | 0 | -0.042 | -0.034 | 50.960 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | ALA | 0 | -0.016 | 0.003 | 50.048 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | LEU | 0 | 0.030 | 0.013 | 52.023 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | VAL | 0 | -0.024 | -0.022 | 55.494 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | GLU | -1 | -0.895 | -0.932 | 51.823 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | ASP | -1 | -0.834 | -0.878 | 53.799 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | ASN | 0 | -0.063 | -0.018 | 55.626 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | LYS | 1 | 0.818 | 0.878 | 55.255 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | GLY | 0 | -0.015 | 0.002 | 60.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | LEU | 0 | -0.038 | -0.004 | 60.310 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | THR | 0 | -0.014 | -0.014 | 63.303 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | VAL | 0 | 0.009 | -0.002 | 60.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | GLN | 0 | -0.033 | -0.009 | 63.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | ASN | 0 | -0.005 | -0.014 | 59.313 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | ILE | 0 | -0.011 | -0.002 | 61.324 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | GLY | 0 | -0.044 | -0.008 | 58.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | SER | 0 | 0.024 | -0.002 | 56.175 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | GLN | 0 | 0.011 | -0.001 | 55.540 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | SER | 0 | -0.040 | -0.007 | 52.297 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | ALA | 0 | -0.020 | -0.018 | 51.868 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | GLU | -1 | -0.811 | -0.891 | 51.731 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | LEU | 0 | 0.033 | 0.016 | 55.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | ARG | 1 | 0.894 | 0.928 | 53.285 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | ILE | 0 | -0.013 | -0.008 | 59.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | PHE | 0 | 0.090 | 0.021 | 58.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | PRO | 0 | -0.014 | 0.006 | 63.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | SER | 0 | 0.012 | 0.009 | 65.532 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | LEU | 0 | 0.028 | 0.019 | 60.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | PRO | 0 | 0.036 | 0.014 | 63.310 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | LEU | 0 | 0.046 | 0.017 | 61.248 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | LEU | 0 | 0.035 | 0.015 | 56.646 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | ASN | 0 | -0.017 | -0.006 | 59.691 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | PHE | 0 | 0.011 | 0.010 | 59.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ILE | 0 | 0.037 | 0.017 | 55.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | SER | 0 | -0.005 | 0.008 | 57.520 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | MET | 0 | 0.016 | 0.004 | 58.597 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | LEU | 0 | -0.001 | 0.025 | 56.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | LEU | 0 | -0.009 | -0.016 | 52.429 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | LEU | 0 | -0.020 | -0.008 | 56.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | SER | 0 | -0.059 | -0.049 | 58.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | VAL | 0 | -0.024 | -0.004 | 53.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | GLN | 0 | -0.060 | -0.023 | 55.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | LYS | 1 | 0.939 | 0.971 | 56.495 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | GLY | 0 | 0.088 | 0.064 | 58.827 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | SER | 0 | -0.035 | -0.030 | 59.883 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | PRO | 0 | 0.059 | 0.006 | 63.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | ASP | -1 | -0.899 | -0.946 | 64.637 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | LEU | 0 | 0.009 | 0.010 | 62.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | PHE | 0 | 0.015 | 0.014 | 59.529 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | ARG | 1 | 0.888 | 0.937 | 63.873 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | GLN | 0 | 0.010 | 0.006 | 67.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | LEU | 0 | -0.036 | -0.002 | 61.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | LYS | 1 | 0.986 | 0.977 | 63.047 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | SER | 0 | -0.025 | 0.007 | 66.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | LYS | 1 | 0.903 | 0.949 | 68.213 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | TYR | 0 | 0.002 | -0.012 | 65.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | GLU | -1 | -0.885 | -0.919 | 67.375 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | ALA | 0 | 0.024 | 0.008 | 68.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | ASN | 0 | -0.015 | -0.017 | 66.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | LEU | 0 | -0.021 | -0.020 | 62.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | ASN | 0 | -0.034 | -0.022 | 64.803 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | GLU | -1 | -0.910 | -0.953 | 66.510 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | LEU | 0 | -0.061 | -0.022 | 60.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | ASN | 0 | -0.044 | -0.034 | 62.033 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | GLY | 0 | 0.075 | 0.046 | 61.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | ILE | 0 | -0.045 | -0.008 | 57.021 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | TRP | 0 | -0.002 | -0.019 | 56.408 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | ASP | -1 | -0.867 | -0.931 | 58.031 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | THR | 0 | 0.006 | -0.005 | 54.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | ALA | 0 | 0.003 | 0.000 | 53.954 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | LEU | 0 | 0.001 | -0.012 | 55.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | GLU | -1 | -0.845 | -0.904 | 58.088 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | LEU | 0 | -0.008 | -0.002 | 52.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | ILE | 0 | 0.004 | 0.006 | 53.317 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | ALA | 0 | -0.014 | -0.013 | 55.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | GLU | -1 | -0.849 | -0.931 | 56.193 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | MET | 0 | -0.106 | -0.048 | 49.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | TYR | 0 | -0.064 | -0.059 | 50.202 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | PHE | 0 | -0.047 | -0.028 | 56.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | GLY | 0 | 0.006 | 0.023 | 58.725 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | ILE | 0 | -0.101 | -0.051 | 60.214 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | GLN | 0 | 0.003 | 0.000 | 60.352 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | ARG | 1 | 0.854 | 0.918 | 55.498 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | PRO | 0 | -0.018 | -0.004 | 61.078 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | ARG | 1 | 0.955 | 0.974 | 62.660 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | GLN | 0 | 0.010 | 0.008 | 58.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | SER | 0 | -0.015 | -0.001 | 62.993 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | ASN | 0 | 0.038 | 0.012 | 64.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | PRO | 0 | 0.096 | 0.043 | 66.469 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | LEU | 0 | 0.021 | 0.017 | 67.141 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | LEU | 0 | -0.002 | -0.015 | 67.191 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | ASP | -1 | -0.937 | -0.964 | 70.375 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | MET | 0 | -0.020 | -0.017 | 72.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | MET | 0 | -0.043 | -0.030 | 69.946 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | GLY | 0 | -0.001 | -0.005 | 74.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | SER | 0 | -0.062 | -0.017 | 75.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | LEU | 0 | -0.008 | -0.005 | 78.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | PHE | 0 | -0.031 | 0.001 | 78.069 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | GLY | 0 | -0.032 | -0.008 | 79.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 308 | GLY | 0 | 0.047 | 0.019 | 87.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 309 | GLY | 0 | 0.023 | -0.009 | 85.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 310 | GLY | 0 | 0.066 | 0.035 | 86.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | GLY | 0 | -0.002 | -0.001 | 81.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | ALA | 0 | 0.058 | 0.039 | 81.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | PRO | 0 | 0.047 | 0.034 | 79.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | SER | 0 | -0.011 | 0.006 | 77.972 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | LYS | 1 | 0.909 | 0.952 | 78.984 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ALA | 0 | -0.006 | 0.006 | 77.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | ALA | 0 | 0.030 | -0.006 | 79.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | LEU | 0 | -0.016 | 0.021 | 74.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | ARG | 1 | 0.834 | 0.887 | 77.248 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | ARG | 1 | 0.961 | 0.974 | 75.628 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | ILE | 0 | 0.019 | 0.010 | 80.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | ASP | -1 | -0.925 | -0.950 | 83.361 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | THR | 0 | -0.030 | -0.023 | 85.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | PRO | 0 | -0.004 | 0.006 | 87.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |