FMODB ID: K9123
Calculation Name: 4NDK-A-Xray372
Preferred Name:
Target Type:
Ligand Name: {(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
ligand 3-letter code: CR2
PDB ID: 4NDK
Chain ID: A
UniProt ID: P42212
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 | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 272 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3800496.009053 |
---|---|
FMO2-HF: Nuclear repulsion | 3691054.995064 |
FMO2-HF: Total energy | -109441.013989 |
FMO2-MP2: Total energy | -109764.16926 |
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(A:8:GLN)
Summations of interaction energy for
fragment #1(A:8: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. |
-34.128 | -43.074 | 22.833 | -6.324 | -7.561 | 0.037 |
Interaction energy analysis for fragmet #1(A:8: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 | 10 | LYS | 1 | 0.973 | 0.999 | 1.773 | -32.140 | -42.768 | 22.152 | -5.612 | -5.911 | 0.041 |
4 | A | 11 | ALA | 0 | 0.059 | 0.026 | 3.983 | -0.807 | -0.583 | -0.001 | -0.022 | -0.200 | 0.000 |
5 | A | 12 | LEU | 0 | -0.031 | -0.011 | 5.129 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 13 | ASP | -1 | -0.887 | -0.943 | 6.880 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 14 | LEU | 0 | -0.013 | 0.004 | 8.760 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 15 | ALA | 0 | -0.003 | -0.010 | 8.928 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 16 | PHE | 0 | -0.008 | -0.008 | 10.580 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 17 | TYR | 0 | -0.065 | -0.042 | 12.760 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 18 | PHE | 0 | -0.021 | -0.020 | 12.469 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 19 | ASP | -1 | -0.887 | -0.945 | 14.832 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 20 | ARG | 1 | 0.970 | 0.984 | 14.865 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 21 | ARG | 1 | 0.961 | 0.995 | 16.919 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 22 | LEU | 0 | -0.042 | 0.002 | 13.028 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 23 | THR | 0 | 0.045 | 0.027 | 16.715 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 24 | PRO | 0 | 0.015 | -0.015 | 17.131 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 25 | GLU | -1 | -0.853 | -0.940 | 17.036 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 26 | TRP | 0 | 0.009 | 0.007 | 12.175 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 27 | ARG | 1 | 0.883 | 0.943 | 12.790 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 28 | ARG | 1 | 0.954 | 0.971 | 12.079 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 29 | TYR | 0 | -0.010 | 0.009 | 10.649 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 30 | LEU | 0 | 0.000 | -0.013 | 7.997 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 31 | SER | 0 | -0.092 | -0.050 | 7.668 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 32 | GLN | 0 | 0.022 | -0.009 | 8.613 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 33 | ARG | 1 | 0.925 | 0.990 | 7.479 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 34 | LEU | 0 | -0.051 | -0.031 | 2.846 | -0.542 | -0.028 | 0.064 | -0.150 | -0.428 | -0.001 |
28 | A | 35 | GLY | 0 | -0.022 | 0.012 | 4.150 | -1.336 | -1.123 | -0.001 | -0.036 | -0.176 | 0.000 |
29 | A | 36 | LEU | 0 | -0.053 | -0.034 | 2.480 | -0.830 | -0.099 | 0.619 | -0.504 | -0.846 | -0.003 |
30 | A | 37 | ASN | 0 | 0.066 | 0.047 | 6.633 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 38 | GLU | -1 | -0.773 | -0.909 | 9.950 | -0.828 | -0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 39 | GLU | -1 | -0.833 | -0.910 | 12.544 | -0.852 | -0.852 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 40 | GLN | 0 | -0.113 | -0.076 | 7.743 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 41 | ILE | 0 | 0.003 | 0.022 | 8.279 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 42 | GLU | -1 | -0.831 | -0.931 | 10.125 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 43 | ARG | 1 | 0.888 | 0.938 | 10.327 | 1.734 | 1.734 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 44 | TRP | 0 | -0.064 | -0.027 | 7.529 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 45 | PHE | 0 | 0.038 | 0.014 | 10.445 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 46 | ARG | 1 | 0.988 | 1.005 | 13.644 | 0.766 | 0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 47 | ARG | 1 | 0.918 | 0.966 | 9.023 | 1.416 | 1.416 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 48 | LYS | 1 | 0.947 | 0.971 | 12.877 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 49 | GLU | -1 | -0.861 | -0.952 | 15.586 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 50 | GLN | 0 | -0.005 | 0.008 | 18.659 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 51 | GLN | 0 | -0.011 | -0.006 | 13.905 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 52 | ILE | 0 | -0.020 | -0.004 | 17.566 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 53 | MET | 0 | -0.018 | 0.007 | 21.022 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 54 | VAL | 0 | -0.014 | -0.002 | 22.337 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 55 | SER | 0 | -0.013 | -0.011 | 21.577 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 56 | LYS | 1 | 0.920 | 0.968 | 24.137 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 57 | GLY | 0 | 0.021 | 0.014 | 26.659 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 58 | GLU | -1 | -0.925 | -0.986 | 25.491 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 59 | GLU | -1 | -0.950 | -0.958 | 28.008 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 60 | LEU | 0 | -0.051 | -0.034 | 29.883 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 61 | PHE | 0 | -0.020 | -0.021 | 32.273 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 62 | THR | 0 | -0.023 | -0.009 | 31.467 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 63 | GLY | 0 | -0.055 | -0.018 | 34.099 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 64 | VAL | 0 | -0.014 | -0.003 | 37.569 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 65 | VAL | 0 | 0.015 | 0.008 | 37.682 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 66 | PRO | 0 | 0.045 | 0.025 | 40.884 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 67 | ILE | 0 | -0.021 | -0.014 | 43.180 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 68 | LEU | 0 | 0.019 | 0.005 | 45.461 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 69 | VAL | 0 | -0.049 | -0.026 | 47.193 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 70 | GLU | -1 | -0.879 | -0.941 | 49.450 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 71 | LEU | 0 | -0.043 | -0.019 | 50.825 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 72 | ASP | -1 | -0.944 | -0.973 | 53.119 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 73 | GLY | 0 | 0.022 | 0.006 | 55.064 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 74 | ASP | -1 | -0.876 | -0.928 | 57.473 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 75 | VAL | 0 | 0.042 | 0.017 | 59.261 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 76 | ASN | 0 | 0.009 | 0.006 | 61.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 77 | GLY | 0 | 0.000 | 0.012 | 63.359 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 78 | HIS | 0 | -0.065 | -0.035 | 64.702 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 79 | LYS | 1 | 0.851 | 0.902 | 61.659 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 80 | PHE | 0 | -0.038 | -0.020 | 57.325 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 81 | SER | 0 | 0.042 | 0.025 | 57.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 82 | VAL | 0 | -0.048 | -0.029 | 54.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 83 | SER | 0 | 0.019 | 0.034 | 54.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 84 | GLY | 0 | -0.010 | -0.036 | 52.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 85 | GLU | -1 | -0.933 | -0.951 | 49.750 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 86 | GLY | 0 | -0.016 | -0.016 | 48.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 87 | GLU | -1 | -0.948 | -0.976 | 44.274 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 88 | GLY | 0 | 0.020 | -0.008 | 41.461 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 89 | ASP | -1 | -0.863 | -0.943 | 38.628 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 90 | ALA | 0 | 0.042 | 0.010 | 35.086 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 91 | THR | 0 | -0.021 | 0.006 | 34.386 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 92 | TYR | 0 | -0.072 | -0.051 | 35.549 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 93 | GLY | 0 | -0.031 | -0.005 | 37.672 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 94 | LYS | 1 | 0.923 | 0.978 | 38.971 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 95 | LEU | 0 | 0.059 | 0.044 | 42.064 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 96 | THR | 0 | -0.028 | -0.018 | 44.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 97 | LEU | 0 | 0.015 | 0.009 | 47.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 98 | LYS | 1 | 0.862 | 0.944 | 50.131 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 99 | LEU | 0 | 0.000 | 0.001 | 51.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 100 | ILE | 0 | 0.016 | -0.008 | 54.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | CYS | 0 | -0.041 | -0.005 | 58.248 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | THR | 0 | -0.032 | -0.020 | 59.133 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 103 | THR | 0 | 0.050 | 0.024 | 61.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 104 | GLY | 0 | -0.018 | -0.003 | 64.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 105 | LYS | 1 | 0.903 | 0.957 | 65.044 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 106 | LEU | 0 | -0.024 | -0.008 | 59.222 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 107 | PRO | 0 | -0.008 | -0.002 | 62.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 108 | VAL | 0 | 0.054 | 0.025 | 58.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 109 | PRO | 0 | 0.013 | 0.012 | 60.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 110 | PHE | 0 | 0.075 | 0.024 | 56.403 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 111 | PRO | 0 | 0.046 | 0.020 | 55.434 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 112 | THR | 0 | -0.066 | -0.038 | 54.509 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 113 | LEU | 0 | 0.006 | 0.000 | 53.544 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 114 | VAL | 0 | 0.027 | 0.023 | 49.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 115 | THR | 0 | -0.038 | -0.039 | 47.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 116 | THR | 0 | -0.031 | 0.000 | 47.118 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 117 | LEU | 0 | 0.018 | 0.021 | 47.908 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 118 | CR2 | 1 | 0.185 | 0.389 | 42.931 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 121 | LEU | -1 | -0.122 | -0.296 | 41.684 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 122 | GLN | 0 | 0.007 | -0.062 | 38.633 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 123 | CYS | 0 | -0.034 | -0.002 | 35.907 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 124 | PHE | 0 | 0.020 | 0.002 | 36.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 125 | ALA | 0 | -0.016 | 0.005 | 35.872 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 126 | ARG | 1 | 0.987 | 0.992 | 33.168 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 127 | TYR | 0 | -0.009 | -0.030 | 30.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 128 | PRO | 0 | -0.019 | -0.023 | 30.159 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 129 | ASP | -1 | -0.813 | -0.914 | 25.453 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 130 | HIS | 0 | -0.053 | -0.035 | 24.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 131 | MET | 0 | -0.067 | -0.030 | 24.980 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 132 | LYS | 1 | 0.971 | 0.995 | 25.436 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 133 | GLN | 0 | 0.016 | 0.013 | 22.372 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 134 | HIS | 0 | -0.033 | -0.010 | 24.620 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 135 | ASP | -1 | -0.807 | -0.893 | 27.790 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 136 | PHE | 0 | 0.016 | 0.001 | 29.604 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 137 | PHE | 0 | 0.013 | 0.019 | 31.015 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 138 | LYS | 1 | 0.865 | 0.930 | 30.934 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 139 | SER | 0 | -0.082 | -0.035 | 27.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 140 | ALA | 0 | -0.006 | 0.002 | 29.381 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 141 | MET | 0 | -0.039 | 0.045 | 32.013 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 142 | PRO | 0 | -0.013 | -0.031 | 30.965 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 143 | GLU | -1 | -0.879 | -0.960 | 31.679 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 144 | GLY | 0 | 0.053 | 0.006 | 34.648 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 145 | TYR | 0 | -0.055 | -0.044 | 35.472 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 146 | VAL | 0 | 0.024 | 0.013 | 37.505 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 147 | GLN | 0 | -0.018 | -0.001 | 39.966 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 148 | GLU | -1 | -0.939 | -0.965 | 42.221 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 149 | ARG | 1 | 0.800 | 0.847 | 43.587 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 150 | THR | 0 | -0.049 | -0.011 | 47.110 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 151 | ILE | 0 | -0.023 | -0.018 | 49.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 152 | PHE | 0 | 0.012 | 0.007 | 51.249 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 153 | PHE | 0 | -0.002 | 0.000 | 54.815 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 154 | LYS | 1 | 0.937 | 0.970 | 56.968 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 155 | ASP | -1 | -0.905 | -0.956 | 59.169 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 156 | ASP | -1 | -0.804 | -0.902 | 61.131 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 157 | GLY | 0 | 0.046 | 0.037 | 60.600 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 158 | ASN | 0 | -0.089 | -0.057 | 55.283 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 159 | TYR | 0 | 0.057 | 0.008 | 53.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 160 | LYS | 1 | 0.911 | 0.964 | 51.390 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 161 | THR | 0 | 0.006 | -0.004 | 47.966 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 162 | ARG | 1 | 0.896 | 0.950 | 43.278 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 163 | ALA | 0 | 0.008 | 0.015 | 44.669 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 164 | GLU | -1 | -0.848 | -0.894 | 41.703 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 165 | VAL | 0 | -0.006 | 0.002 | 39.878 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 166 | LYS | 1 | 0.890 | 0.914 | 38.405 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 167 | PHE | 0 | 0.019 | 0.020 | 35.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 168 | GLU | -1 | -0.952 | -0.968 | 39.134 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 169 | GLY | 0 | -0.021 | -0.017 | 39.918 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 170 | ASP | -1 | -0.882 | -0.959 | 39.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 171 | THR | 0 | -0.076 | -0.025 | 40.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 172 | LEU | 0 | -0.038 | -0.007 | 38.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 173 | VAL | 0 | 0.027 | 0.013 | 41.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 174 | ASN | 0 | 0.022 | -0.013 | 43.197 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 175 | ARG | 1 | 0.934 | 0.989 | 45.562 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 176 | ILE | 0 | -0.047 | -0.040 | 47.091 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 177 | GLU | -1 | -0.823 | -0.906 | 49.290 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 178 | LEU | 0 | -0.037 | -0.032 | 51.335 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 179 | LYS | 1 | 0.942 | 0.969 | 53.843 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 180 | GLY | 0 | -0.011 | -0.017 | 55.845 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 181 | ILE | 0 | -0.036 | -0.017 | 58.474 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 182 | ASP | -1 | -0.906 | -0.960 | 60.856 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 183 | PHE | 0 | -0.051 | -0.021 | 58.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 184 | LYS | 1 | 0.898 | 0.946 | 64.114 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 185 | GLU | -1 | -0.829 | -0.926 | 67.086 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 186 | ASP | -1 | -0.924 | -0.937 | 69.306 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 187 | GLY | 0 | -0.003 | -0.021 | 66.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 188 | ASN | 0 | -0.031 | -0.044 | 63.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 189 | ILE | 0 | 0.006 | 0.003 | 59.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 190 | LEU | 0 | -0.002 | -0.001 | 63.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 191 | GLY | 0 | 0.037 | 0.037 | 65.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 192 | HIS | 0 | -0.133 | -0.064 | 64.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 193 | LYS | 1 | 0.907 | 0.965 | 65.276 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 194 | LEU | 0 | -0.069 | -0.029 | 59.255 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 195 | GLU | -1 | -0.799 | -0.891 | 61.118 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 196 | TYR | 0 | -0.068 | -0.061 | 58.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 197 | ASN | 0 | -0.100 | -0.073 | 57.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 198 | TYR | 0 | 0.028 | -0.006 | 49.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 199 | ASN | 0 | -0.026 | 0.014 | 52.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 200 | SER | 0 | 0.003 | -0.008 | 47.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 201 | HIS | 0 | 0.002 | -0.004 | 46.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 202 | ASN | 0 | 0.028 | 0.018 | 41.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 203 | VAL | 0 | -0.009 | 0.004 | 40.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 204 | TYR | 0 | 0.010 | -0.006 | 37.894 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 205 | ILE | 0 | 0.003 | 0.015 | 34.362 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 206 | THR | 0 | -0.021 | -0.012 | 34.061 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 207 | ALA | 0 | 0.054 | 0.017 | 30.769 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 208 | ASP | -1 | -0.943 | -0.995 | 32.835 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 209 | LYS | 1 | 0.988 | 0.966 | 29.387 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 210 | GLN | 0 | -0.034 | -0.011 | 31.425 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 211 | LYS | 1 | 0.945 | 0.988 | 33.774 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 212 | ASN | 0 | -0.016 | -0.003 | 28.589 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 213 | GLY | 0 | 0.110 | 0.046 | 31.512 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 214 | ILE | 0 | -0.075 | 0.009 | 32.874 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 215 | LYS | 1 | 0.936 | 0.970 | 35.263 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 216 | ALA | 0 | 0.002 | -0.001 | 38.112 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 217 | ASN | 0 | -0.043 | -0.017 | 40.762 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 218 | PHE | 0 | 0.012 | 0.008 | 43.825 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 219 | LYS | 1 | 0.916 | 0.965 | 46.219 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 220 | ILE | 0 | -0.005 | 0.019 | 48.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 221 | ARG | 1 | 0.900 | 0.948 | 51.507 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 222 | HIS | 0 | 0.031 | 0.015 | 54.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 223 | ASN | 0 | 0.021 | 0.014 | 57.297 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 224 | ILE | 0 | -0.042 | -0.023 | 60.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 225 | GLU | -1 | -0.896 | -0.954 | 63.535 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 226 | ASP | -1 | -0.918 | -0.948 | 66.231 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 227 | GLY | 0 | -0.038 | -0.006 | 65.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 228 | GLY | 0 | 0.005 | 0.000 | 63.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 229 | VAL | 0 | -0.072 | -0.043 | 58.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 230 | GLN | 0 | 0.018 | 0.022 | 58.695 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 231 | LEU | 0 | -0.075 | -0.048 | 53.872 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 232 | ALA | 0 | 0.058 | 0.029 | 53.443 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 233 | ASP | -1 | -0.878 | -0.938 | 50.146 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 234 | HIS | 0 | 0.032 | 0.046 | 47.099 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 235 | TYR | 0 | -0.052 | -0.041 | 45.696 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 236 | GLN | 0 | -0.006 | -0.025 | 40.376 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 237 | GLN | 0 | -0.025 | -0.025 | 40.298 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 238 | ASN | 0 | 0.004 | 0.003 | 37.207 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 239 | THR | 0 | -0.007 | -0.001 | 35.912 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 240 | PRO | 0 | -0.008 | 0.006 | 31.817 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 241 | ILE | 0 | -0.017 | 0.004 | 34.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 242 | GLY | 0 | 0.012 | 0.010 | 32.714 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 243 | ASP | -1 | -0.902 | -0.954 | 29.000 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 244 | GLY | 0 | -0.104 | -0.039 | 26.561 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 245 | PRO | 0 | -0.043 | -0.015 | 22.738 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 246 | VAL | 0 | 0.051 | 0.010 | 25.422 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 247 | LEU | 0 | -0.065 | -0.040 | 23.427 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 248 | LEU | 0 | -0.034 | -0.033 | 26.144 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 249 | PRO | 0 | -0.063 | -0.007 | 26.730 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 250 | ASP | -1 | -0.882 | -0.951 | 25.933 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 251 | ASN | 0 | -0.065 | -0.057 | 29.011 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 252 | HIS | 0 | -0.010 | 0.015 | 31.803 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 253 | TYR | 0 | -0.010 | -0.008 | 33.838 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 254 | LEU | 0 | 0.033 | 0.021 | 35.711 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 255 | SER | 0 | -0.012 | -0.014 | 38.597 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 256 | TYR | 0 | 0.022 | 0.019 | 41.256 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 257 | GLN | 0 | -0.023 | -0.008 | 44.150 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 258 | SER | 0 | -0.006 | -0.027 | 46.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 259 | LYS | 1 | 0.929 | 0.975 | 49.536 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 260 | LEU | 0 | 0.018 | 0.019 | 52.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 261 | SER | 0 | -0.066 | -0.039 | 55.214 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 262 | LYS | 1 | 0.912 | 0.972 | 57.562 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 263 | ASP | -1 | -0.792 | -0.903 | 58.939 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 264 | PRO | 0 | -0.045 | -0.031 | 60.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 265 | ASN | 0 | -0.001 | -0.010 | 63.025 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 266 | GLU | -1 | -0.835 | -0.861 | 60.919 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 267 | LYS | 1 | 0.963 | 0.968 | 63.562 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 268 | ARG | 1 | 0.846 | 0.904 | 60.951 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 269 | ASP | -1 | -0.794 | -0.889 | 63.433 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 270 | HIS | 0 | -0.006 | -0.014 | 58.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 271 | MET | 0 | -0.031 | -0.007 | 53.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 272 | VAL | 0 | -0.010 | 0.012 | 53.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 273 | LEU | 0 | -0.014 | -0.008 | 48.849 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 274 | LEU | 0 | -0.025 | 0.001 | 47.107 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 275 | GLU | -1 | -0.782 | -0.912 | 45.419 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 276 | PHE | 0 | -0.006 | 0.001 | 42.366 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 277 | VAL | 0 | 0.006 | 0.006 | 38.877 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 278 | THR | 0 | -0.006 | -0.002 | 36.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 279 | ALA | 0 | -0.014 | 0.014 | 33.067 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 280 | ALA | 0 | -0.015 | -0.001 | 33.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 281 | GLY | 0 | -0.043 | -0.023 | 32.098 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |