FMODB ID: 9Y6Z2
Calculation Name: 2CKD-B-Xray310
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2CKD
Chain ID: B
UniProt ID: Q9CCZ4
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 299 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4352049.105037 |
---|---|
FMO2-HF: Nuclear repulsion | 4236163.394964 |
FMO2-HF: Total energy | -115885.710073 |
FMO2-MP2: Total energy | -116224.733813 |
3D Structure
Ligand structure
Ligand Interaction
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(B:12:ACE )
Summations of interaction energy for
fragment #1(B:12:ACE )
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. |
2.195 | 3.446 | -0.004 | -0.574 | -0.672 | -0.001 |
Interaction energy analysis for fragmet #1(B:12:ACE )
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 | B | 14 | VAL | 0 | 0.059 | 0.046 | 3.888 | 0.069 | 1.236 | -0.004 | -0.571 | -0.591 | -0.001 |
4 | B | 15 | GLY | 0 | -0.007 | 0.010 | 5.151 | 0.325 | 0.409 | 0.000 | -0.003 | -0.081 | 0.000 |
5 | B | 16 | THR | 0 | 0.088 | 0.022 | 5.242 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 17 | THR | 0 | 0.035 | 0.001 | 7.556 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 18 | ALA | 0 | -0.025 | -0.017 | 9.501 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 19 | VAL | 0 | 0.010 | 0.007 | 7.621 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 20 | MET | 0 | 0.007 | 0.024 | 10.773 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 21 | VAL | 0 | 0.004 | -0.003 | 13.356 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 22 | ALA | 0 | -0.007 | 0.004 | 13.607 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 23 | ALA | 0 | 0.021 | 0.006 | 14.459 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 24 | ALA | 0 | -0.002 | 0.011 | 16.109 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 25 | ARG | 1 | 0.901 | 0.949 | 15.620 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 26 | ALA | 0 | -0.013 | -0.020 | 18.234 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 27 | ALA | 0 | -0.024 | 0.007 | 20.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 28 | GLU | -1 | -0.759 | -0.879 | 21.841 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 29 | THR | 0 | -0.062 | -0.022 | 22.906 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 30 | ASP | -1 | -0.883 | -0.945 | 24.454 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 31 | ARG | 1 | 0.819 | 0.935 | 26.261 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 32 | PRO | 0 | 0.015 | -0.014 | 28.911 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 33 | ASP | -1 | -0.964 | -0.991 | 32.422 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 34 | ALA | 0 | -0.102 | -0.024 | 27.882 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 35 | LEU | 0 | -0.002 | -0.004 | 28.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 36 | ILE | 0 | -0.040 | -0.014 | 23.412 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 37 | ARG | 1 | 0.933 | 0.958 | 25.745 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 38 | ASP | -1 | -0.759 | -0.892 | 19.711 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 39 | PRO | 0 | -0.017 | -0.012 | 21.523 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 40 | TYR | 0 | 0.013 | -0.006 | 18.845 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 41 | ALA | 0 | -0.003 | 0.018 | 16.748 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 42 | LYS | 1 | 0.994 | 0.984 | 15.706 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 43 | LEU | 0 | 0.017 | 0.013 | 15.422 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 44 | LEU | 0 | -0.005 | 0.005 | 12.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 45 | VAL | 0 | 0.008 | 0.035 | 11.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 46 | THR | 0 | -0.022 | -0.005 | 10.758 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 47 | ASN | 0 | -0.033 | -0.024 | 10.958 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 48 | THR | 0 | -0.008 | 0.009 | 5.634 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 49 | GLY | 0 | -0.040 | -0.009 | 5.995 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 50 | ALA | 0 | -0.018 | -0.033 | 5.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 51 | GLY | 0 | 0.037 | 0.012 | 7.930 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 52 | ALA | 0 | 0.025 | 0.014 | 11.247 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 53 | LEU | 0 | 0.032 | 0.030 | 12.556 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 54 | TRP | 0 | 0.023 | -0.001 | 10.422 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 55 | GLU | -1 | -0.925 | -0.978 | 14.893 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 56 | ALA | 0 | -0.001 | 0.002 | 16.903 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 57 | MET | 0 | -0.029 | -0.012 | 17.402 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 58 | LEU | 0 | -0.005 | -0.019 | 17.085 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 59 | ASP | -1 | -0.811 | -0.868 | 20.589 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 60 | PRO | 0 | 0.020 | -0.001 | 22.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 61 | SER | 0 | -0.116 | -0.071 | 26.126 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 62 | MET | 0 | -0.051 | -0.029 | 22.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 63 | VAL | 0 | 0.044 | 0.022 | 25.776 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 64 | ALA | 0 | -0.013 | -0.003 | 27.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 65 | LYS | 1 | 0.911 | 0.944 | 26.393 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 66 | VAL | 0 | 0.048 | 0.020 | 23.441 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 67 | GLU | -1 | -0.920 | -0.967 | 26.252 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 68 | ALA | 0 | -0.104 | -0.040 | 29.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 69 | ILE | 0 | -0.077 | -0.016 | 24.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 70 | ASP | -1 | -0.826 | -0.950 | 26.083 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 71 | ALA | 0 | 0.085 | 0.064 | 27.351 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 72 | GLU | -1 | -0.934 | -0.971 | 27.651 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 73 | ALA | 0 | -0.009 | -0.004 | 23.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 74 | ALA | 0 | 0.002 | 0.002 | 24.246 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 75 | ALA | 0 | 0.048 | 0.026 | 26.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 76 | MET | 0 | -0.023 | -0.001 | 22.254 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 77 | VAL | 0 | -0.051 | -0.021 | 21.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 78 | GLU | -1 | -0.907 | -0.932 | 22.640 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 79 | HIS | 0 | 0.087 | 0.046 | 24.855 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 80 | MET | 0 | -0.005 | 0.001 | 18.027 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 81 | ARG | 1 | 0.896 | 0.957 | 21.990 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 82 | SER | 0 | -0.021 | -0.028 | 22.981 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 83 | TYR | 0 | -0.014 | -0.023 | 21.626 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 84 | GLN | 0 | -0.013 | -0.023 | 19.178 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 85 | ALA | 0 | 0.004 | 0.015 | 22.257 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 86 | VAL | 0 | 0.003 | -0.006 | 25.075 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 87 | ARG | 1 | 0.854 | 0.897 | 17.709 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 88 | THR | 0 | -0.058 | -0.013 | 22.114 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 89 | ASN | 0 | 0.026 | -0.006 | 24.290 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 90 | PHE | 0 | -0.013 | 0.001 | 27.781 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 91 | PHE | 0 | 0.018 | -0.020 | 23.427 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 92 | ASP | -1 | -0.764 | -0.843 | 25.708 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 93 | THR | 0 | 0.022 | 0.022 | 28.064 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 94 | TYR | 0 | -0.080 | -0.032 | 28.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 95 | PHE | 0 | 0.039 | 0.006 | 25.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 96 | ASN | 0 | 0.025 | 0.000 | 30.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 97 | ASN | 0 | 0.029 | -0.001 | 33.184 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 98 | ALA | 0 | -0.056 | -0.023 | 32.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 99 | VAL | 0 | -0.012 | 0.012 | 32.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 100 | ILE | 0 | 0.014 | 0.023 | 35.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 101 | ASP | -1 | -0.843 | -0.884 | 38.224 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 102 | GLY | 0 | -0.019 | -0.032 | 38.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 103 | ILE | 0 | -0.081 | -0.036 | 33.387 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 104 | ARG | 1 | 0.855 | 0.910 | 34.356 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 105 | GLN | 0 | 0.047 | 0.034 | 30.674 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 106 | PHE | 0 | -0.010 | 0.001 | 27.550 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 107 | VAL | 0 | 0.018 | 0.024 | 24.246 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 108 | ILE | 0 | -0.021 | -0.022 | 20.097 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 109 | LEU | 0 | -0.039 | -0.028 | 20.454 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 110 | ALA | 0 | -0.004 | 0.007 | 15.682 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 111 | SER | 0 | -0.014 | -0.015 | 16.404 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 112 | GLY | 0 | 0.064 | 0.018 | 12.642 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 113 | LEU | 0 | -0.082 | -0.063 | 10.300 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 114 | ASP | -1 | -0.791 | -0.868 | 14.114 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 115 | SER | 0 | 0.040 | -0.015 | 17.919 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 116 | ARG | 1 | 0.814 | 0.894 | 19.883 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 117 | ALA | 0 | -0.031 | -0.022 | 22.136 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 118 | TYR | 0 | -0.035 | -0.037 | 19.346 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 119 | ARG | 1 | 0.789 | 0.895 | 21.863 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 120 | LEU | 0 | -0.031 | 0.011 | 25.341 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 121 | ASP | -1 | -0.916 | -0.950 | 28.074 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 122 | TRP | 0 | -0.055 | -0.031 | 26.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 123 | PRO | 0 | 0.001 | 0.011 | 32.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 124 | THR | 0 | 0.027 | 0.017 | 34.505 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 125 | GLY | 0 | -0.018 | -0.012 | 34.917 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 126 | THR | 0 | -0.066 | -0.051 | 30.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 127 | THR | 0 | -0.018 | 0.005 | 29.467 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 128 | VAL | 0 | 0.011 | 0.005 | 24.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 129 | TYR | 0 | -0.004 | -0.006 | 24.368 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 130 | GLU | -1 | -0.737 | -0.828 | 18.353 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 131 | ILE | 0 | 0.027 | 0.016 | 18.961 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 132 | ASP | -1 | -0.811 | -0.891 | 13.287 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 133 | GLN | 0 | 0.012 | -0.011 | 9.503 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 134 | PRO | 0 | 0.014 | 0.000 | 12.726 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 135 | LYS | 1 | 0.948 | 0.967 | 7.162 | 1.210 | 1.210 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 136 | VAL | 0 | 0.016 | 0.026 | 8.701 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 137 | LEU | 0 | 0.002 | 0.001 | 10.355 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 138 | ALA | 0 | 0.043 | 0.024 | 12.312 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 139 | TYR | 0 | -0.039 | -0.004 | 8.958 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 140 | LYS | 1 | 0.819 | 0.931 | 11.078 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 141 | SER | 0 | -0.051 | -0.034 | 13.558 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 142 | THR | 0 | -0.019 | -0.029 | 13.861 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 143 | THR | 0 | 0.013 | 0.004 | 12.536 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 144 | LEU | 0 | -0.055 | -0.032 | 15.025 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 145 | ALA | 0 | 0.030 | 0.015 | 18.165 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 146 | GLU | -1 | -0.997 | -0.986 | 16.182 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 147 | HIS | 0 | -0.103 | -0.049 | 16.573 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 148 | GLY | 0 | -0.028 | -0.010 | 20.750 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 149 | VAL | 0 | -0.036 | -0.001 | 21.117 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 150 | THR | 0 | -0.018 | -0.018 | 22.162 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 151 | PRO | 0 | -0.019 | -0.022 | 23.056 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 152 | THR | 0 | 0.024 | 0.021 | 25.062 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 153 | ALA | 0 | -0.015 | -0.014 | 27.331 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 154 | ASP | -1 | -0.875 | -0.906 | 27.517 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 155 | ARG | 1 | 0.808 | 0.871 | 17.869 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 156 | ARG | 1 | 0.768 | 0.863 | 24.188 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 157 | GLU | -1 | -0.843 | -0.916 | 18.086 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 158 | VAL | 0 | -0.005 | -0.019 | 20.243 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 159 | PRO | 0 | -0.003 | -0.003 | 17.178 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 160 | ILE | 0 | -0.057 | -0.033 | 17.547 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 161 | ASP | -1 | -0.799 | -0.905 | 15.054 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 162 | LEU | 0 | 0.039 | 0.011 | 16.350 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 163 | ARG | 1 | 0.857 | 0.947 | 16.656 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 164 | GLN | 0 | -0.052 | -0.032 | 17.799 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 165 | ASP | -1 | -0.862 | -0.946 | 20.886 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 166 | TRP | 0 | 0.025 | 0.012 | 21.457 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 167 | PRO | 0 | 0.042 | 0.027 | 23.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 168 | PRO | 0 | -0.060 | -0.033 | 26.465 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 169 | ALA | 0 | 0.005 | 0.001 | 23.250 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 170 | LEU | 0 | -0.001 | 0.011 | 25.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 171 | ARG | 1 | 0.951 | 0.961 | 26.100 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 172 | SER | 0 | -0.065 | -0.028 | 27.292 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 173 | ALA | 0 | 0.015 | 0.030 | 25.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 174 | GLY | 0 | -0.046 | -0.042 | 27.443 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 175 | PHE | 0 | 0.006 | 0.038 | 28.800 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 176 | ASP | -1 | -0.756 | -0.879 | 30.725 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 177 | PRO | 0 | -0.085 | -0.050 | 33.275 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 178 | SER | 0 | -0.107 | -0.056 | 34.937 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 179 | ALA | 0 | -0.017 | 0.000 | 35.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 180 | ARG | 1 | 0.841 | 0.918 | 35.452 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 181 | THR | 0 | 0.043 | 0.016 | 29.820 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 182 | ALA | 0 | -0.037 | -0.006 | 30.321 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 183 | TRP | 0 | 0.006 | -0.025 | 26.095 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 184 | LEU | 0 | 0.006 | 0.016 | 22.863 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 185 | ALA | 0 | 0.010 | 0.003 | 21.934 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 186 | GLU | -1 | -0.776 | -0.870 | 19.332 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 187 | GLY | 0 | -0.004 | -0.003 | 17.718 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 188 | LEU | 0 | 0.012 | -0.008 | 16.635 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 189 | LEU | 0 | 0.007 | -0.011 | 18.588 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 190 | MET | 0 | 0.034 | 0.011 | 17.111 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 191 | TYR | 0 | -0.041 | 0.004 | 13.843 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 192 | LEU | 0 | -0.036 | -0.018 | 17.282 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 193 | PRO | 0 | 0.026 | 0.023 | 20.046 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 194 | ALA | 0 | 0.085 | 0.048 | 22.900 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 195 | THR | 0 | 0.021 | 0.008 | 26.392 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 196 | ALA | 0 | 0.011 | -0.005 | 22.666 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 197 | GLN | 0 | 0.029 | 0.034 | 24.498 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 198 | ASP | -1 | -0.914 | -0.963 | 25.743 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 199 | GLY | 0 | -0.029 | -0.024 | 27.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 200 | LEU | 0 | 0.033 | 0.026 | 22.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 201 | PHE | 0 | 0.027 | -0.009 | 25.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 202 | THR | 0 | -0.053 | -0.024 | 29.088 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 203 | GLU | -1 | -0.938 | -0.975 | 26.136 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 204 | ILE | 0 | 0.002 | 0.013 | 25.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 205 | GLY | 0 | -0.052 | -0.021 | 29.796 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 206 | GLY | 0 | -0.031 | -0.007 | 32.903 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 207 | LEU | 0 | -0.060 | -0.022 | 28.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 208 | SER | 0 | -0.017 | -0.028 | 32.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 209 | ALA | 0 | 0.050 | 0.041 | 34.462 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 210 | VAL | 0 | 0.056 | 0.034 | 37.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 211 | GLY | 0 | -0.044 | -0.019 | 39.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 212 | SER | 0 | -0.083 | -0.062 | 33.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 213 | ARG | 1 | 0.826 | 0.880 | 32.835 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 214 | ILE | 0 | 0.009 | 0.017 | 27.458 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 215 | ALA | 0 | -0.008 | 0.000 | 27.789 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 216 | VAL | 0 | 0.005 | -0.010 | 24.937 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 217 | GLU | -1 | -0.763 | -0.849 | 20.950 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 218 | THR | 0 | -0.035 | -0.028 | 23.817 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 219 | SER | 0 | -0.036 | -0.021 | 22.598 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 220 | PRO | 0 | 0.015 | 0.027 | 23.042 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 221 | LEU | 0 | 0.053 | 0.038 | 25.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 222 | HIS | 0 | -0.006 | 0.000 | 26.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 223 | GLY | 0 | -0.013 | -0.019 | 23.235 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 224 | ASP | -1 | -0.972 | -1.011 | 20.866 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 225 | GLU | -1 | -0.837 | -0.935 | 21.228 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 226 | TRP | 0 | -0.005 | 0.002 | 21.124 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 227 | ARG | 1 | 0.822 | 0.884 | 13.418 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 228 | GLU | -1 | -0.857 | -0.933 | 18.643 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 229 | GLN | 0 | -0.002 | 0.006 | 19.948 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 230 | MET | 0 | -0.046 | -0.023 | 17.871 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 231 | GLN | 0 | 0.012 | 0.007 | 15.102 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 232 | LEU | 0 | 0.001 | 0.023 | 17.424 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 233 | ARG | 1 | 0.874 | 0.933 | 20.645 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 234 | PHE | 0 | 0.029 | -0.022 | 16.240 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 235 | ARG | 1 | 0.967 | 0.971 | 16.230 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 236 | ARG | 1 | 0.943 | 0.988 | 18.096 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 237 | VAL | 0 | 0.022 | 0.011 | 19.983 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 238 | SER | 0 | 0.038 | 0.011 | 16.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 239 | ASP | -1 | -0.932 | -0.956 | 18.312 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 240 | ALA | 0 | -0.027 | -0.007 | 20.064 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 241 | LEU | 0 | -0.131 | -0.072 | 19.888 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 242 | GLY | 0 | 0.003 | 0.005 | 20.226 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 243 | PHE | 0 | -0.040 | -0.029 | 14.235 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 244 | GLU | -1 | -0.984 | -0.990 | 14.856 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 245 | GLN | 0 | -0.080 | -0.046 | 7.770 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 246 | ALA | 0 | 0.021 | 0.008 | 11.268 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 247 | VAL | 0 | 0.016 | 0.012 | 9.916 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 248 | ASP | -1 | -0.948 | -0.971 | 8.314 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 249 | VAL | 0 | -0.061 | -0.027 | 9.234 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 250 | GLN | 0 | 0.027 | 0.025 | 9.325 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 251 | GLU | -1 | -0.860 | -0.907 | 11.558 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 252 | LEU | 0 | 0.029 | -0.003 | 15.170 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 253 | ILE | 0 | -0.028 | 0.020 | 14.570 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 254 | TYR | 0 | -0.101 | -0.062 | 17.544 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 255 | HIS | 0 | 0.066 | 0.038 | 21.441 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 256 | ASP | -1 | -0.912 | -0.974 | 24.467 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 257 | GLU | -1 | -0.959 | -0.987 | 27.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 258 | ASN | 0 | 0.023 | 0.009 | 30.540 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 259 | ARG | 1 | 0.792 | 0.904 | 22.488 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 260 | ALA | 0 | -0.049 | -0.009 | 29.558 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 261 | VAL | 0 | 0.092 | 0.038 | 30.176 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 262 | VAL | 0 | 0.029 | 0.001 | 27.827 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 263 | ALA | 0 | 0.037 | 0.013 | 31.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 264 | ASP | -1 | -0.887 | -0.947 | 34.365 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 265 | TRP | 0 | 0.021 | 0.010 | 32.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 266 | LEU | 0 | 0.012 | 0.009 | 31.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 267 | ASN | 0 | 0.046 | 0.012 | 34.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 268 | ARG | 1 | 0.859 | 0.952 | 37.780 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 269 | HIS | 1 | 0.830 | 0.911 | 36.036 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 270 | GLY | 0 | 0.009 | 0.033 | 37.001 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 271 | TRP | 0 | 0.031 | -0.010 | 32.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 272 | ARG | 1 | 0.945 | 0.983 | 37.998 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 273 | ALA | 0 | -0.020 | -0.025 | 34.644 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 274 | THR | 0 | -0.048 | -0.024 | 35.396 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 275 | ALA | 0 | 0.031 | 0.009 | 33.251 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 276 | GLN | 0 | -0.023 | -0.005 | 32.654 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 277 | SER | 0 | 0.041 | 0.035 | 31.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 278 | ALA | 0 | 0.057 | 0.027 | 27.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 279 | PRO | 0 | 0.063 | 0.016 | 29.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 280 | ASP | -1 | -0.856 | -0.935 | 31.903 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 281 | GLU | -1 | -0.822 | -0.900 | 30.602 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 282 | MET | 0 | -0.054 | -0.021 | 27.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 283 | ARG | 1 | 0.897 | 0.950 | 31.783 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 284 | ARG | 1 | 0.783 | 0.894 | 33.921 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 285 | VAL | 0 | -0.091 | -0.045 | 31.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 286 | GLY | 0 | 0.000 | 0.006 | 34.758 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 287 | ARG | 1 | 0.755 | 0.838 | 27.396 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 288 | TRP | 0 | -0.019 | 0.001 | 29.600 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 289 | GLY | 0 | 0.041 | 0.019 | 31.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 290 | ASP | -1 | -0.976 | -0.992 | 32.209 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 291 | GLY | 0 | 0.015 | 0.008 | 33.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 292 | VAL | 0 | -0.042 | -0.011 | 27.185 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 293 | PRO | 0 | -0.001 | -0.009 | 27.155 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 294 | MET | 0 | 0.036 | 0.008 | 26.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 295 | ALA | 0 | -0.026 | -0.001 | 30.151 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 296 | ASP | -1 | -0.941 | -0.968 | 32.012 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 297 | ASP | -1 | -0.859 | -0.929 | 30.253 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 298 | LYS | 1 | 0.894 | 0.921 | 31.290 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 299 | ASP | -1 | -0.854 | -0.929 | 30.216 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 300 | ALA | 0 | -0.038 | 0.006 | 26.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 301 | PHE | 0 | -0.051 | -0.040 | 25.938 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 302 | ALA | 0 | -0.005 | 0.011 | 24.321 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 303 | GLU | -1 | -0.942 | -0.980 | 26.402 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 304 | PHE | 0 | -0.018 | 0.000 | 25.243 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 305 | VAL | 0 | 0.000 | -0.009 | 28.836 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 306 | THR | 0 | -0.029 | -0.005 | 30.070 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 307 | ALA | 0 | 0.011 | 0.000 | 32.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 308 | HIS | 0 | -0.051 | -0.023 | 34.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 309 | ARG | 1 | 0.872 | 0.959 | 35.965 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 310 | LEU | -1 | -0.883 | -0.947 | 37.762 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |