![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 4J5YN
Calculation Name: 5TLC-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5TLC
Chain ID: A
UniProt ID: Q8GRC7
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 441 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7905358.678329 |
---|---|
FMO2-HF: Nuclear repulsion | 7738411.309317 |
FMO2-HF: Total energy | -166947.369013 |
FMO2-MP2: Total energy | -167444.828378 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F036747/ligand_interaction/ligand_F036747.png)
Ligand Interaction
![ligand interaction](./Kdata/F036747/ligand_interaction/ligand_interaction_F036747.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:6:GLN)
Summations of interaction energy for
fragment #1(A:6:GLN)
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. |
-22.088 | -17.372 | 12.354 | -5.568 | -11.505 | -0.052 |
Interaction energy analysis for fragmet #1(A:6:GLN)
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 | 8 | HIS | 0 | 0.001 | 0.005 | 3.869 | -1.975 | -0.852 | -0.009 | -0.438 | -0.676 | 0.000 |
4 | A | 9 | LEU | 0 | -0.012 | -0.011 | 6.507 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 10 | ALA | 0 | 0.013 | 0.004 | 9.092 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 11 | GLY | 0 | 0.018 | 0.012 | 12.746 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 12 | PHE | 0 | -0.032 | -0.028 | 16.272 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 13 | PHE | 0 | 0.023 | -0.012 | 19.734 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 14 | SER | 0 | 0.038 | 0.015 | 23.274 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 15 | ALA | 0 | -0.006 | 0.008 | 26.843 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 16 | GLY | 0 | 0.023 | -0.009 | 28.512 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 17 | ASN | 0 | -0.048 | -0.019 | 29.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 18 | VAL | 0 | -0.011 | 0.005 | 29.572 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 19 | THR | 0 | -0.002 | -0.001 | 23.503 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 20 | HIS | 0 | 0.048 | 0.040 | 22.014 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 21 | ALA | 0 | 0.087 | 0.053 | 26.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 22 | HIS | 0 | 0.029 | 0.019 | 28.171 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 23 | GLY | 0 | 0.015 | 0.011 | 31.386 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 24 | ALA | 0 | -0.003 | -0.007 | 28.279 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 25 | TRP | 0 | 0.018 | 0.005 | 30.108 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 26 | ARG | 1 | 0.855 | 0.931 | 32.775 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 27 | HIS | 0 | 0.036 | 0.024 | 27.967 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 28 | VAL | 0 | -0.010 | -0.012 | 32.260 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 29 | GLY | 0 | 0.006 | 0.005 | 29.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 30 | ALA | 0 | -0.047 | -0.015 | 29.265 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 31 | THR | 0 | -0.030 | -0.023 | 29.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 32 | ASN | 0 | -0.008 | -0.023 | 31.118 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 33 | GLY | 0 | 0.028 | 0.024 | 31.069 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 34 | PHE | 0 | 0.058 | 0.048 | 29.819 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 35 | LEU | 0 | 0.021 | 0.023 | 30.958 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 36 | THR | 0 | -0.069 | -0.044 | 31.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 37 | GLY | 0 | 0.075 | 0.023 | 30.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 38 | GLU | -1 | -0.840 | -0.920 | 28.532 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 39 | PHE | 0 | 0.044 | 0.031 | 27.176 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 40 | TYR | 0 | 0.032 | -0.009 | 24.875 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 41 | LYS | 1 | 0.819 | 0.894 | 23.641 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 42 | GLN | 0 | -0.069 | -0.038 | 23.335 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 43 | ILE | 0 | 0.023 | 0.013 | 20.238 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 44 | ALA | 0 | 0.038 | 0.016 | 19.114 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 45 | ARG | 1 | 0.896 | 0.935 | 18.105 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 46 | THR | 0 | -0.045 | -0.035 | 17.785 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 47 | LEU | 0 | 0.013 | 0.004 | 14.673 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 48 | GLU | -1 | -0.777 | -0.862 | 13.434 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 49 | ARG | 1 | 0.700 | 0.811 | 13.841 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 50 | GLY | 0 | 0.009 | -0.007 | 12.312 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 51 | LYS | 1 | 0.806 | 0.894 | 8.471 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 52 | PHE | 0 | -0.008 | 0.011 | 8.722 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 53 | ASP | -1 | -0.734 | -0.820 | 7.858 | 0.761 | 0.761 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 54 | LEU | 0 | -0.025 | -0.018 | 10.560 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 55 | LEU | 0 | 0.012 | 0.023 | 14.067 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 56 | PHE | 0 | -0.038 | -0.029 | 17.259 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 57 | LEU | 0 | 0.013 | 0.022 | 20.105 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 58 | PRO | 0 | -0.026 | 0.002 | 23.661 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 59 | ASP | -1 | -0.903 | -0.971 | 25.670 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 60 | GLY | 0 | -0.005 | -0.010 | 29.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 61 | LEU | 0 | -0.073 | -0.019 | 32.427 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 62 | ALA | 0 | 0.011 | -0.011 | 35.681 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 63 | ILE | 0 | -0.029 | 0.017 | 36.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 64 | GLU | -1 | -0.838 | -0.903 | 34.035 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 65 | ASP | -1 | -0.796 | -0.882 | 38.607 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 66 | SER | 0 | -0.008 | -0.025 | 38.296 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 67 | TYR | 0 | -0.017 | -0.035 | 35.374 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 68 | GLY | 0 | -0.017 | 0.011 | 41.109 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 69 | ASP | -1 | -0.915 | -0.932 | 44.948 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 70 | ASN | 0 | -0.061 | -0.034 | 45.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 71 | LEU | 0 | 0.034 | 0.011 | 43.443 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 72 | GLU | -1 | -0.894 | -0.948 | 44.238 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 73 | THR | 0 | -0.011 | -0.021 | 41.429 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 74 | GLY | 0 | 0.006 | 0.003 | 39.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 75 | VAL | 0 | -0.034 | -0.031 | 39.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 76 | GLY | 0 | -0.031 | 0.000 | 41.674 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 77 | LEU | 0 | -0.052 | -0.019 | 39.847 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 78 | GLY | 0 | 0.004 | 0.009 | 36.284 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 79 | GLY | 0 | 0.047 | 0.003 | 35.204 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 80 | GLN | 0 | -0.039 | -0.028 | 29.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 81 | GLY | 0 | 0.040 | 0.015 | 33.062 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 82 | ALA | 0 | -0.032 | -0.003 | 34.423 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 83 | VAL | 0 | -0.057 | -0.033 | 33.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 84 | ALA | 0 | 0.036 | 0.010 | 32.421 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 85 | LEU | 0 | -0.062 | -0.017 | 31.170 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 86 | GLU | -1 | -0.724 | -0.821 | 31.281 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 87 | PRO | 0 | 0.059 | 0.019 | 26.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 88 | THR | 0 | -0.056 | -0.045 | 27.251 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 89 | SER | 0 | -0.052 | -0.061 | 28.087 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 90 | VAL | 0 | 0.003 | 0.018 | 25.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 91 | ILE | 0 | 0.039 | 0.009 | 22.175 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 92 | ALA | 0 | -0.016 | -0.016 | 24.672 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 93 | THR | 0 | -0.082 | -0.043 | 26.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 94 | MET | 0 | -0.046 | -0.008 | 21.908 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 95 | ALA | 0 | 0.013 | 0.016 | 22.184 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 96 | ALA | 0 | -0.030 | -0.006 | 23.264 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 97 | VAL | 0 | -0.075 | -0.028 | 23.318 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 98 | THR | 0 | -0.009 | -0.008 | 18.681 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 99 | GLN | 0 | -0.028 | -0.016 | 17.331 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 100 | ARG | 1 | 0.811 | 0.912 | 12.912 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 101 | LEU | 0 | 0.044 | 0.034 | 13.942 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 102 | GLY | 0 | 0.045 | 0.031 | 14.090 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | LEU | 0 | -0.035 | -0.018 | 15.682 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | GLY | 0 | 0.051 | 0.024 | 18.861 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | ALA | 0 | 0.012 | 0.008 | 20.890 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 106 | THR | 0 | -0.009 | -0.006 | 24.180 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 107 | VAL | 0 | 0.026 | 0.013 | 25.673 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 108 | SER | 0 | 0.038 | 0.020 | 28.335 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 109 | THR | 0 | -0.020 | -0.032 | 29.235 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 110 | THR | 0 | -0.068 | -0.029 | 31.932 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 111 | TYR | 0 | -0.003 | -0.015 | 34.059 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 112 | TYR | 0 | 0.032 | 0.027 | 33.034 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 113 | PRO | 0 | -0.003 | -0.002 | 34.818 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 114 | PRO | 0 | 0.038 | 0.000 | 32.636 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 115 | TYR | 0 | -0.012 | -0.029 | 32.594 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 116 | HIS | 0 | 0.003 | 0.011 | 33.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 117 | VAL | 0 | 0.063 | 0.032 | 28.442 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 118 | ALA | 0 | 0.026 | 0.014 | 28.995 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 119 | ARG | 1 | 0.966 | 0.996 | 29.366 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 120 | VAL | 0 | 0.007 | 0.018 | 28.589 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 121 | PHE | 0 | 0.041 | 0.016 | 24.364 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 122 | ALA | 0 | 0.048 | 0.028 | 25.620 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 123 | THR | 0 | -0.062 | -0.046 | 27.297 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 124 | LEU | 0 | 0.009 | 0.000 | 24.870 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 125 | ASP | -1 | -0.740 | -0.829 | 21.042 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 126 | ASN | 0 | -0.084 | -0.058 | 23.319 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 127 | LEU | 0 | -0.076 | -0.039 | 25.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 128 | SER | 0 | -0.029 | -0.016 | 21.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 129 | ASP | -1 | -0.878 | -0.919 | 20.278 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 130 | GLY | 0 | -0.007 | 0.005 | 19.222 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 131 | ARG | 1 | 0.820 | 0.890 | 16.167 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 132 | ILE | 0 | -0.016 | -0.003 | 18.013 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 133 | SER | 0 | 0.009 | -0.013 | 17.842 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 134 | TRP | 0 | -0.033 | -0.029 | 19.974 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 135 | ASN | 0 | -0.013 | -0.018 | 21.293 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 136 | VAL | 0 | 0.015 | 0.006 | 22.445 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 137 | VAL | 0 | 0.028 | 0.022 | 24.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 138 | THR | 0 | 0.022 | 0.001 | 27.601 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 139 | SER | 0 | 0.033 | 0.027 | 30.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 140 | LEU | 0 | 0.003 | -0.001 | 32.527 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 141 | ASN | 0 | 0.013 | 0.020 | 35.556 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 142 | ASP | -1 | -0.771 | -0.867 | 37.403 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 143 | SER | 0 | 0.004 | -0.025 | 39.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 144 | GLU | -1 | -0.831 | -0.889 | 34.029 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 145 | ALA | 0 | -0.018 | -0.015 | 38.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 146 | ARG | 1 | 0.816 | 0.888 | 40.891 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 147 | ASN | 0 | -0.049 | -0.024 | 39.840 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 148 | PHE | 0 | -0.059 | -0.032 | 37.074 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 149 | GLY | 0 | -0.040 | -0.004 | 41.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 150 | VAL | 0 | -0.086 | -0.044 | 40.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 151 | ASP | -1 | -0.875 | -0.943 | 43.784 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 152 | GLU | -1 | -0.998 | -0.994 | 42.037 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 153 | HIS | 0 | 0.040 | 0.007 | 39.052 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 154 | LEU | 0 | -0.038 | -0.008 | 38.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 155 | GLU | -1 | -0.827 | -0.928 | 38.691 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 156 | HIS | 0 | -0.036 | -0.029 | 30.955 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 157 | ASP | -1 | -0.807 | -0.911 | 33.046 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 158 | ILE | 0 | -0.002 | 0.004 | 33.654 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 159 | ARG | 1 | 0.877 | 0.933 | 33.702 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 160 | TYR | 0 | 0.025 | 0.012 | 26.910 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 161 | ASP | -1 | -0.857 | -0.919 | 30.992 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 162 | ARG | 1 | 0.857 | 0.918 | 33.381 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 163 | ALA | 0 | 0.029 | 0.005 | 29.333 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 164 | ASP | -1 | -0.756 | -0.854 | 28.490 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 165 | GLU | -1 | -0.759 | -0.874 | 30.108 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 166 | PHE | 0 | -0.008 | -0.011 | 30.085 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 167 | LEU | 0 | 0.038 | 0.019 | 24.557 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 168 | GLU | -1 | -0.806 | -0.876 | 28.038 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 169 | ALA | 0 | -0.063 | -0.027 | 30.027 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 170 | VAL | 0 | -0.029 | -0.011 | 27.115 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 171 | LYS | 1 | 0.943 | 0.964 | 21.448 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 172 | LYS | 1 | 0.836 | 0.921 | 27.809 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 173 | LEU | 0 | -0.020 | -0.012 | 31.314 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 174 | TRP | 0 | -0.011 | -0.002 | 23.425 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 175 | SER | 0 | 0.017 | 0.009 | 28.208 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 176 | SER | 0 | -0.083 | -0.041 | 30.019 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 177 | TRP | 0 | -0.040 | -0.023 | 31.394 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 178 | SER | 0 | 0.033 | -0.005 | 29.773 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 179 | GLU | -1 | -0.745 | -0.850 | 25.549 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 180 | ASP | -1 | -0.886 | -0.933 | 28.727 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 181 | ALA | 0 | -0.044 | 0.000 | 31.328 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 182 | LEU | 0 | -0.019 | -0.015 | 31.990 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 183 | LEU | 0 | -0.019 | 0.007 | 33.689 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 184 | LEU | 0 | 0.035 | -0.008 | 33.991 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 185 | ASP | -1 | -0.802 | -0.875 | 37.579 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 186 | LYS | 1 | 0.933 | 0.947 | 38.579 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 187 | VAL | 0 | -0.034 | -0.003 | 42.777 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 188 | GLY | 0 | -0.021 | -0.022 | 44.442 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 189 | GLY | 0 | -0.019 | 0.001 | 44.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 190 | ARG | 1 | 0.860 | 0.922 | 41.587 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 191 | PHE | 0 | 0.018 | 0.000 | 37.602 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 192 | ALA | 0 | 0.040 | 0.016 | 37.989 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 193 | ASP | -1 | -0.819 | -0.901 | 38.049 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 194 | PRO | 0 | -0.011 | -0.021 | 39.022 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 195 | LYS | 1 | 0.890 | 0.946 | 40.063 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 196 | LYS | 1 | 0.792 | 0.897 | 32.488 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 197 | VAL | 0 | 0.014 | 0.011 | 35.363 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 198 | GLN | 0 | -0.041 | -0.013 | 36.720 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 199 | TYR | 0 | -0.050 | -0.043 | 37.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 200 | VAL | 0 | 0.035 | 0.030 | 34.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 201 | ASN | 0 | -0.088 | -0.055 | 37.455 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 202 | HIS | 0 | 0.016 | 0.023 | 35.149 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 203 | ARG | 1 | 0.953 | 0.958 | 38.471 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 204 | GLY | 0 | -0.002 | 0.014 | 38.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 205 | ARG | 1 | 0.896 | 0.965 | 38.718 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 206 | TRP | 0 | 0.013 | -0.008 | 36.210 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 207 | LEU | 0 | -0.009 | 0.022 | 34.709 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 208 | SER | 0 | -0.040 | -0.043 | 38.893 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 209 | VAL | 0 | -0.017 | -0.003 | 35.635 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 210 | ARG | 1 | 0.936 | 0.979 | 38.877 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 211 | GLY | 0 | 0.005 | -0.001 | 40.299 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 212 | PRO | 0 | 0.051 | 0.025 | 36.855 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 213 | LEU | 0 | 0.015 | 0.009 | 30.681 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 214 | GLN | 0 | -0.042 | -0.011 | 34.943 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 215 | VAL | 0 | -0.011 | -0.007 | 29.895 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 216 | PRO | 0 | -0.017 | 0.010 | 29.954 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 217 | ARG | 1 | 0.778 | 0.846 | 24.462 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 218 | SER | 0 | -0.014 | -0.023 | 22.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 219 | ARG | 1 | 0.864 | 0.888 | 17.380 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 220 | GLN | 0 | 0.032 | 0.036 | 16.868 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 221 | GLY | 0 | 0.005 | 0.018 | 19.579 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 222 | GLU | -1 | -0.852 | -0.931 | 21.000 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 223 | PRO | 0 | 0.016 | 0.012 | 20.105 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 224 | VAL | 0 | -0.011 | 0.012 | 14.843 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 225 | ILE | 0 | -0.037 | -0.023 | 18.176 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 226 | LEU | 0 | 0.033 | 0.023 | 15.820 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 227 | GLN | 0 | 0.020 | -0.004 | 18.601 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 228 | ALA | 0 | 0.060 | 0.040 | 19.132 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 229 | GLY | 0 | 0.021 | 0.008 | 21.253 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 230 | LEU | 0 | 0.029 | 0.010 | 22.549 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 231 | SER | 0 | 0.023 | 0.030 | 24.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 232 | PRO | 0 | 0.048 | -0.002 | 26.390 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 233 | ARG | 1 | 0.717 | 0.858 | 27.415 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 234 | GLY | 0 | 0.045 | 0.024 | 26.019 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 235 | ARG | 1 | 0.803 | 0.884 | 21.975 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 236 | ARG | 1 | 0.912 | 0.956 | 22.963 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 237 | PHE | 0 | -0.068 | -0.029 | 24.737 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 238 | ALA | 0 | 0.021 | -0.004 | 19.707 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 239 | GLY | 0 | 0.051 | 0.032 | 20.037 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 240 | ARG | 1 | 0.795 | 0.880 | 20.777 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 241 | TRP | 0 | -0.052 | -0.051 | 21.680 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 242 | ALA | 0 | -0.008 | 0.015 | 17.655 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 243 | GLU | -1 | -0.777 | -0.833 | 15.302 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 244 | ALA | 0 | 0.033 | 0.023 | 13.094 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 245 | VAL | 0 | -0.044 | -0.033 | 13.932 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 246 | PHE | 0 | -0.005 | 0.009 | 14.799 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 247 | SER | 0 | 0.035 | 0.010 | 16.544 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 248 | VAL | 0 | 0.022 | 0.004 | 18.101 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 249 | SER | 0 | -0.019 | -0.020 | 19.089 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 250 | PRO | 0 | 0.032 | 0.029 | 20.302 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 251 | ASN | 0 | -0.024 | -0.038 | 20.518 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 252 | LEU | 0 | 0.089 | 0.040 | 15.323 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 253 | ASP | -1 | -0.878 | -0.921 | 18.096 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 254 | ILE | 0 | -0.014 | -0.016 | 20.588 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 255 | MET | 0 | -0.042 | 0.003 | 15.789 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 256 | ARG | 1 | 0.915 | 0.962 | 15.840 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 257 | ALA | 0 | -0.039 | -0.009 | 17.129 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 258 | VAL | 0 | 0.004 | -0.005 | 18.235 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 259 | TYR | 0 | -0.013 | -0.020 | 9.330 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 260 | GLN | 0 | -0.006 | -0.019 | 15.763 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 261 | ASP | -1 | -0.837 | -0.889 | 17.354 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 262 | ILE | 0 | -0.003 | -0.005 | 16.115 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 263 | LYS | 1 | 0.812 | 0.902 | 10.061 | -0.937 | -0.937 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 264 | ALA | 0 | 0.001 | 0.003 | 16.316 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 265 | HIS | 0 | -0.057 | -0.046 | 19.871 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 266 | VAL | 0 | -0.024 | -0.005 | 16.205 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 267 | ALA | 0 | 0.003 | 0.012 | 18.540 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 268 | ALA | 0 | -0.053 | -0.030 | 19.972 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 269 | ALA | 0 | -0.077 | -0.027 | 21.952 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 270 | GLY | 0 | -0.035 | -0.013 | 23.065 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 271 | ARG | 1 | 0.786 | 0.885 | 17.164 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 272 | ASP | -1 | -0.807 | -0.917 | 13.789 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 273 | PRO | 0 | -0.018 | -0.010 | 14.350 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 274 | GLU | -1 | -0.810 | -0.915 | 7.913 | 1.359 | 1.359 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 275 | GLN | 0 | -0.083 | -0.042 | 10.048 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 276 | THR | 0 | -0.035 | -0.030 | 12.098 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 277 | LYS | 1 | 0.821 | 0.924 | 6.892 | -1.247 | -1.247 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 278 | VAL | 0 | -0.025 | -0.018 | 10.427 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 279 | PHE | 0 | 0.005 | 0.002 | 10.003 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 280 | THR | 0 | -0.001 | -0.015 | 12.395 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 281 | ALA | 0 | -0.007 | -0.001 | 14.590 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 282 | VAL | 0 | -0.015 | -0.003 | 14.554 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 283 | MET | 0 | -0.020 | 0.002 | 17.583 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 284 | PRO | 0 | -0.009 | 0.008 | 16.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 285 | VAL | 0 | -0.024 | -0.017 | 19.305 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 286 | LEU | 0 | 0.045 | 0.035 | 17.544 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 287 | GLY | 0 | 0.034 | 0.001 | 21.637 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 288 | GLU | -1 | -0.878 | -0.937 | 22.972 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 289 | THR | 0 | -0.016 | -0.004 | 24.659 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 290 | GLU | -1 | -0.742 | -0.841 | 23.356 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 291 | GLN | 0 | -0.091 | -0.045 | 25.237 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 292 | VAL | 0 | 0.061 | 0.028 | 27.132 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 293 | ALA | 0 | -0.015 | 0.012 | 23.518 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 294 | ARG | 1 | 0.818 | 0.880 | 25.502 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 295 | GLU | -1 | -0.844 | -0.908 | 27.941 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 296 | ARG | 1 | 0.746 | 0.820 | 23.618 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 297 | LEU | 0 | -0.020 | 0.002 | 25.011 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 298 | GLU | -1 | -0.947 | -0.974 | 27.945 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 299 | TYR | 0 | 0.024 | 0.011 | 30.659 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 300 | LEU | 0 | 0.019 | 0.018 | 26.368 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 301 | ASN | 0 | 0.031 | 0.001 | 28.473 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 302 | SER | 0 | -0.068 | -0.033 | 31.858 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 303 | LEU | 0 | -0.039 | -0.002 | 31.745 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 304 | VAL | 0 | -0.035 | -0.004 | 32.254 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 305 | HIS | 0 | 0.035 | 0.020 | 35.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 306 | PRO | 0 | -0.007 | -0.015 | 38.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 307 | GLU | -1 | -0.853 | -0.929 | 39.147 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 308 | VAL | 0 | 0.009 | 0.028 | 35.926 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 309 | GLY | 0 | 0.019 | 0.010 | 34.786 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 310 | LEU | 0 | 0.012 | -0.003 | 35.688 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 311 | SER | 0 | -0.031 | -0.015 | 38.484 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 312 | THR | 0 | 0.018 | 0.003 | 31.882 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 313 | LEU | 0 | -0.018 | 0.007 | 34.202 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 314 | SER | 0 | -0.063 | -0.032 | 35.415 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 315 | SER | 0 | -0.023 | -0.030 | 35.753 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 316 | HIS | 0 | -0.005 | -0.002 | 30.046 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 317 | SER | 0 | -0.057 | -0.059 | 33.728 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 318 | GLY | 0 | -0.047 | -0.013 | 36.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 319 | LEU | 0 | -0.020 | -0.016 | 38.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 320 | ASN | 0 | 0.040 | 0.037 | 41.350 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 321 | LEU | 0 | -0.031 | -0.022 | 39.868 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 322 | SER | 0 | 0.023 | 0.008 | 43.898 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 323 | LYS | 1 | 0.808 | 0.903 | 46.254 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 324 | TYR | 0 | -0.060 | -0.059 | 45.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 325 | PRO | 0 | 0.028 | 0.032 | 47.748 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 326 | LEU | 0 | 0.032 | 0.008 | 43.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 327 | ASP | -1 | -0.910 | -0.962 | 45.353 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 328 | THR | 0 | -0.041 | -0.033 | 46.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 329 | LYS | 1 | 0.788 | 0.891 | 45.268 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 330 | PHE | 0 | 0.073 | 0.030 | 40.320 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 331 | SER | 0 | -0.062 | -0.076 | 43.704 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 332 | ASP | -1 | -0.818 | -0.892 | 45.662 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 333 | ILE | 0 | 0.008 | 0.001 | 43.894 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 334 | VAL | 0 | -0.101 | -0.036 | 43.257 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 335 | ALA | 0 | -0.018 | -0.002 | 46.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 336 | ASP | -1 | -0.854 | -0.888 | 49.663 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 337 | LEU | 0 | -0.039 | -0.011 | 46.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 338 | GLY | 0 | 0.001 | 0.000 | 48.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 339 | ASP | -1 | -0.793 | -0.907 | 44.938 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 340 | ARG | 1 | 0.882 | 0.942 | 43.190 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 341 | HIS | 0 | -0.094 | -0.057 | 43.473 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 342 | VAL | 0 | 0.086 | 0.054 | 41.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 343 | PRO | 0 | 0.025 | 0.025 | 37.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 344 | THR | 0 | 0.030 | -0.003 | 35.272 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 345 | MET | 0 | -0.028 | 0.010 | 31.322 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 346 | LEU | 0 | 0.078 | 0.033 | 33.600 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 347 | GLN | 0 | -0.066 | -0.030 | 36.233 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 348 | MET | 0 | -0.033 | -0.016 | 30.764 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 349 | PHE | 0 | -0.011 | 0.008 | 30.720 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 350 | SER | 0 | 0.020 | -0.010 | 33.238 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 351 | ALA | 0 | 0.003 | 0.009 | 35.340 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 352 | VAL | 0 | -0.015 | -0.015 | 29.135 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 353 | ALA | 0 | 0.000 | 0.006 | 32.255 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 354 | GLY | 0 | 0.020 | 0.013 | 33.174 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 355 | GLY | 0 | -0.034 | -0.008 | 34.218 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 356 | GLY | 0 | -0.028 | -0.013 | 35.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 357 | ALA | 0 | -0.057 | -0.027 | 38.365 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 358 | ASP | -1 | -0.753 | -0.864 | 39.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 359 | LEU | 0 | -0.030 | -0.014 | 36.719 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 360 | THR | 0 | 0.015 | 0.010 | 41.382 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 361 | LEU | 0 | 0.019 | 0.011 | 41.449 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 362 | ALA | 0 | 0.021 | 0.013 | 40.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 363 | GLU | -1 | -0.762 | -0.857 | 37.749 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 364 | LEU | 0 | -0.042 | 0.001 | 36.272 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 365 | GLY | 0 | 0.056 | 0.020 | 35.907 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 366 | ARG | 1 | 0.809 | 0.881 | 33.554 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 367 | ARG | 1 | 0.799 | 0.879 | 32.810 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 368 | TYR | 0 | -0.033 | -0.016 | 30.627 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 369 | GLY | 0 | 0.054 | 0.008 | 30.595 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 370 | THR | 0 | -0.097 | -0.044 | 28.527 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 371 | ASN | 0 | -0.055 | -0.052 | 25.161 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 372 | VAL | 0 | 0.018 | 0.016 | 25.731 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 373 | GLY | 0 | 0.057 | 0.042 | 27.960 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 374 | PHE | 0 | -0.076 | -0.057 | 24.861 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 375 | VAL | 0 | 0.005 | 0.005 | 20.500 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 376 | PRO | 0 | -0.012 | 0.007 | 18.747 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 377 | GLN | 0 | 0.018 | 0.009 | 20.500 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 378 | TRP | 0 | -0.050 | -0.034 | 13.544 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 379 | ALA | 0 | 0.041 | 0.026 | 20.338 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 380 | GLY | 0 | 0.011 | -0.003 | 20.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 381 | THR | 0 | -0.030 | -0.033 | 20.132 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 382 | ALA | 0 | 0.024 | 0.019 | 16.675 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 383 | GLU | -1 | -0.809 | -0.909 | 14.547 | -1.183 | -1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 384 | GLN | 0 | 0.014 | -0.005 | 15.035 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 385 | ILE | 0 | 0.001 | 0.017 | 14.050 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 386 | ALA | 0 | 0.045 | 0.024 | 11.032 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 387 | ASP | -1 | -0.827 | -0.901 | 10.959 | -0.871 | -0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 388 | GLN | 0 | -0.046 | 0.001 | 12.734 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 389 | LEU | 0 | 0.012 | 0.007 | 9.378 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 390 | ILE | 0 | 0.016 | 0.016 | 7.173 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 391 | SER | 0 | -0.020 | -0.026 | 8.865 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 392 | HIS | 0 | -0.049 | -0.042 | 11.914 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 393 | PHE | 0 | -0.015 | 0.001 | 2.988 | -1.749 | -0.541 | 0.513 | -0.739 | -0.982 | 0.008 |
389 | A | 394 | GLU | -1 | -0.916 | -0.962 | 7.821 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 395 | ALA | 0 | -0.076 | -0.023 | 9.566 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 396 | GLY | 0 | 0.022 | 0.007 | 11.072 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 397 | ALA | 0 | -0.048 | -0.034 | 12.038 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 398 | ALA | 0 | -0.013 | -0.022 | 10.848 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 399 | ASP | -1 | -0.757 | -0.833 | 6.638 | 1.503 | 1.503 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 400 | GLY | 0 | 0.040 | 0.008 | 6.018 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 401 | PHE | 0 | -0.017 | -0.014 | 8.485 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 402 | ILE | 0 | -0.046 | -0.016 | 11.620 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 403 | ILE | 0 | 0.029 | 0.011 | 12.498 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 404 | SER | 0 | -0.008 | -0.022 | 15.858 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 405 | PRO | 0 | -0.018 | -0.016 | 19.684 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 406 | ALA | 0 | 0.043 | 0.013 | 21.480 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 407 | TYR | 0 | -0.070 | -0.069 | 24.009 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 408 | LEU | 0 | 0.001 | 0.025 | 22.327 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 409 | PRO | 0 | 0.039 | -0.004 | 23.759 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 410 | GLY | 0 | 0.035 | 0.008 | 22.469 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 411 | ILE | 0 | -0.015 | 0.022 | 19.849 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 412 | TYR | 0 | -0.002 | -0.025 | 16.831 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 413 | GLU | -1 | -0.755 | -0.838 | 17.575 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 414 | GLU | -1 | -0.761 | -0.821 | 18.695 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 415 | PHE | 0 | 0.044 | -0.001 | 11.559 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 416 | VAL | 0 | -0.032 | -0.012 | 13.819 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 417 | ASP | -1 | -0.819 | -0.895 | 14.289 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 418 | GLN | 0 | -0.055 | -0.035 | 16.641 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 419 | VAL | 0 | -0.013 | -0.012 | 11.717 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 420 | VAL | 0 | -0.018 | 0.010 | 9.001 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 421 | PRO | 0 | 0.042 | 0.030 | 9.286 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 422 | LEU | 0 | -0.014 | 0.005 | 10.003 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 423 | LEU | 0 | 0.000 | -0.009 | 6.606 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 424 | GLN | 0 | -0.055 | -0.031 | 5.324 | -1.189 | -1.189 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 425 | GLN | 0 | -0.060 | -0.034 | 5.906 | -0.727 | -0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 426 | ARG | 1 | 0.744 | 0.850 | 7.739 | 1.425 | 1.425 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 427 | GLY | 0 | -0.004 | 0.009 | 3.792 | 0.459 | 0.795 | 0.000 | -0.124 | -0.212 | 0.000 |
423 | A | 428 | VAL | 0 | -0.016 | -0.013 | 1.948 | -16.174 | -15.477 | 5.550 | -2.728 | -3.519 | -0.037 |
424 | A | 429 | PHE | 0 | -0.018 | -0.016 | 2.179 | -2.658 | -2.041 | 5.811 | -2.723 | -3.706 | -0.023 |
425 | A | 430 | ARG | 1 | 0.868 | 0.909 | 2.828 | -1.743 | -1.309 | 0.482 | 1.247 | -2.164 | -0.001 |
426 | A | 431 | THR | 0 | 0.030 | 0.016 | 3.966 | -1.897 | -1.596 | 0.007 | -0.063 | -0.246 | 0.001 |
427 | A | 432 | GLU | -1 | -0.826 | -0.900 | 6.022 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 433 | TYR | 0 | -0.080 | -0.072 | 6.773 | 1.034 | 1.034 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 434 | GLU | -1 | -0.979 | -0.977 | 6.159 | 3.644 | 3.644 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 435 | GLY | 0 | 0.051 | 0.037 | 8.568 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 436 | THR | 0 | -0.143 | -0.105 | 11.252 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 437 | THR | 0 | -0.011 | -0.038 | 14.264 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 438 | LEU | 0 | -0.005 | -0.003 | 12.505 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 439 | ARG | 1 | 0.744 | 0.835 | 12.109 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 440 | GLU | -1 | -0.728 | -0.803 | 11.182 | 1.107 | 1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 441 | HIS | 0 | -0.067 | -0.017 | 8.469 | 0.625 | 0.625 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 442 | LEU | 0 | -0.033 | -0.027 | 7.191 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 443 | GLY | 0 | 0.013 | 0.016 | 8.104 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 444 | LEU | 0 | -0.066 | -0.036 | 9.071 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 445 | ALA | 0 | -0.004 | 0.000 | 12.409 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 446 | HIS | 0 | -0.079 | -0.038 | 15.449 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |