FMODB ID: 763YK
Calculation Name: 2AZK-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2AZK
Chain ID: A
UniProt ID: Q97W92
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 276 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4040994.760753 |
---|---|
FMO2-HF: Nuclear repulsion | 3931662.437299 |
FMO2-HF: Total energy | -109332.323455 |
FMO2-MP2: Total energy | -109657.583182 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-13.926 | -3.996 | 6.352 | -6.046 | -10.236 | -0.04 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | ILE | 0 | -0.057 | -0.004 | 2.352 | -1.599 | 1.764 | 0.730 | -1.620 | -2.473 | 0.008 |
4 | A | 4 | ILE | 0 | 0.013 | 0.003 | 2.676 | 0.532 | 1.809 | 0.515 | -0.494 | -1.298 | 0.004 |
5 | A | 5 | GLU | -1 | -0.854 | -0.924 | 4.817 | -2.783 | -2.783 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | PHE | 0 | -0.002 | -0.008 | 6.848 | 0.933 | 0.933 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | TRP | 0 | -0.036 | -0.022 | 8.077 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LEU | 0 | 0.015 | 0.008 | 7.998 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | GLU | -1 | -0.935 | -0.954 | 11.055 | -0.908 | -0.908 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | ALA | 0 | 0.008 | -0.006 | 12.600 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LYS | 1 | 0.891 | 0.941 | 13.578 | 0.725 | 0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | 0.007 | 0.001 | 15.109 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | THR | 0 | -0.088 | -0.069 | 16.748 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ILE | 0 | -0.002 | -0.017 | 16.518 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ASP | -1 | -0.784 | -0.872 | 19.527 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ARG | 1 | 0.951 | 0.996 | 18.424 | 0.650 | 0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LEU | 0 | -0.041 | -0.010 | 21.454 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ILE | 0 | 0.015 | 0.005 | 22.860 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLU | -1 | -0.878 | -0.920 | 25.263 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | GLN | 0 | -0.043 | -0.035 | 25.674 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PHE | 0 | -0.004 | 0.012 | 28.495 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LEU | 0 | -0.006 | 0.001 | 29.278 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ASN | 0 | -0.050 | -0.035 | 31.070 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | SER | 0 | -0.078 | -0.034 | 32.595 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ASN | 0 | 0.052 | 0.017 | 34.733 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ARG | 1 | 0.851 | 0.924 | 36.861 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ASP | -1 | -0.815 | -0.883 | 38.795 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | TRP | 0 | -0.053 | -0.024 | 38.946 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ASP | -1 | -0.890 | -0.966 | 40.379 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | LEU | 0 | -0.026 | -0.006 | 37.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | VAL | 0 | 0.005 | 0.009 | 33.869 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASP | -1 | -0.874 | -0.907 | 33.793 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ILE | 0 | 0.034 | 0.010 | 33.745 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | SER | 0 | -0.009 | -0.022 | 31.600 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | SER | 0 | -0.010 | -0.008 | 29.613 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | TYR | 0 | -0.029 | -0.014 | 28.640 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ILE | 0 | 0.009 | 0.006 | 28.349 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | -0.009 | -0.003 | 25.947 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LYS | 1 | 0.848 | 0.939 | 23.320 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ASP | -1 | -0.844 | -0.928 | 21.489 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | GLY | 0 | -0.025 | 0.014 | 20.128 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LYN | 0 | 0.075 | 0.039 | 13.544 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ARG | 1 | 0.755 | 0.867 | 14.797 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | PHE | 0 | 0.092 | 0.031 | 10.168 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ARG | 1 | 0.924 | 0.976 | 13.849 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLY | 0 | 0.036 | 0.023 | 16.605 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | -0.023 | -0.007 | 11.964 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | LEU | 0 | 0.043 | 0.025 | 10.967 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | ASN | 0 | -0.041 | -0.020 | 13.274 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | MET | 0 | -0.006 | -0.014 | 14.582 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | PHE | 0 | -0.026 | 0.001 | 6.693 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | PHE | 0 | 0.048 | 0.003 | 12.151 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | THR | 0 | 0.005 | -0.004 | 14.038 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | VAL | 0 | -0.006 | 0.007 | 12.416 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ALA | 0 | -0.026 | -0.014 | 10.852 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | LEU | 0 | -0.007 | -0.004 | 12.592 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLY | 0 | -0.098 | -0.051 | 15.998 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLY | 0 | -0.012 | 0.002 | 17.605 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ASP | -1 | -0.800 | -0.877 | 17.966 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ILE | 0 | 0.079 | 0.040 | 15.590 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | LYS | 1 | 0.797 | 0.882 | 18.483 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ASP | -1 | -0.856 | -0.930 | 21.679 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | SER | 0 | 0.007 | 0.003 | 18.633 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | TYR | 0 | -0.012 | -0.018 | 18.926 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | 0.053 | 0.038 | 22.157 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | GLY | 0 | 0.044 | 0.026 | 23.238 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ALA | 0 | -0.005 | -0.015 | 19.146 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LEU | 0 | -0.011 | 0.005 | 20.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ALA | 0 | 0.018 | 0.003 | 23.553 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ILE | 0 | 0.022 | 0.012 | 20.107 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLU | -1 | -0.780 | -0.897 | 18.323 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ILE | 0 | -0.005 | 0.020 | 22.438 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LEU | 0 | 0.015 | 0.006 | 25.612 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | HIS | 0 | -0.062 | -0.041 | 19.557 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | SER | 0 | -0.051 | -0.033 | 23.852 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ALA | 0 | 0.004 | 0.009 | 25.271 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | SER | 0 | -0.047 | -0.037 | 25.799 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | 0.027 | 0.011 | 22.219 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | ALA | 0 | 0.023 | 0.014 | 26.861 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | -0.065 | -0.040 | 29.973 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ASP | -1 | -0.808 | -0.895 | 27.576 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASP | -1 | -0.821 | -0.897 | 29.021 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ILE | 0 | -0.087 | -0.043 | 31.494 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | VAL | 0 | -0.077 | -0.046 | 33.326 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ASP | -1 | -0.880 | -0.940 | 31.175 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | LEU | 0 | -0.116 | -0.046 | 33.783 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ASP | -1 | -0.848 | -0.918 | 28.827 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ALA | 0 | -0.033 | -0.061 | 32.476 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | THR | 0 | -0.016 | -0.029 | 27.701 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ARG | 1 | 0.899 | 0.972 | 23.456 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ARG | 1 | 0.802 | 0.879 | 22.329 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | GLY | 0 | 0.027 | 0.029 | 24.215 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ASP | -1 | -0.741 | -0.858 | 25.280 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | LYS | 1 | 0.764 | 0.885 | 28.517 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ALA | 0 | 0.028 | 0.023 | 30.601 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | 0.042 | 0.011 | 31.334 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | TRP | 0 | 0.028 | -0.006 | 33.090 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | VAL | 0 | -0.060 | 0.012 | 34.292 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | VAL | 0 | -0.027 | 0.002 | 34.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | TYR | 0 | -0.098 | -0.082 | 34.647 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | GLY | 0 | -0.011 | -0.005 | 38.812 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASN | 0 | 0.074 | 0.011 | 38.491 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ARG | 1 | 0.916 | 0.962 | 39.334 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LYS | 1 | 0.975 | 0.996 | 39.141 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | VAL | 0 | 0.088 | 0.054 | 33.628 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | ILE | 0 | 0.048 | 0.039 | 35.505 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | PHE | 0 | -0.050 | -0.043 | 37.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ILE | 0 | 0.058 | 0.026 | 33.731 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | THR | 0 | 0.059 | 0.030 | 32.495 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ASN | 0 | -0.080 | -0.047 | 34.269 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | TYR | 0 | -0.042 | -0.025 | 35.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | LEU | 0 | 0.012 | -0.002 | 30.152 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ILE | 0 | 0.054 | 0.035 | 30.732 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | PRO | 0 | -0.007 | -0.002 | 32.508 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | THR | 0 | -0.028 | -0.013 | 32.173 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ALA | 0 | 0.020 | 0.008 | 28.565 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LEU | 0 | -0.004 | -0.011 | 30.073 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ARG | 1 | 0.891 | 0.950 | 32.120 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ILE | 0 | 0.026 | 0.025 | 27.956 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ILE | 0 | 0.018 | 0.024 | 26.840 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLN | 0 | -0.021 | -0.018 | 29.053 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | THR | 0 | -0.051 | -0.044 | 32.033 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | SER | 0 | -0.069 | -0.041 | 27.950 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | TYR | 0 | -0.052 | -0.042 | 23.328 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLY | 0 | 0.000 | 0.017 | 29.237 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | ASP | -1 | -0.820 | -0.932 | 32.201 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ASP | -1 | -0.779 | -0.816 | 30.739 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ALA | 0 | 0.074 | 0.027 | 28.260 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LEU | 0 | 0.008 | 0.022 | 29.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ASN | 0 | -0.019 | -0.028 | 32.129 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | THR | 0 | -0.010 | -0.003 | 27.886 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | SER | 0 | 0.000 | -0.024 | 28.732 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ILE | 0 | -0.035 | -0.019 | 29.717 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLU | -1 | -0.854 | -0.908 | 31.644 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LEU | 0 | -0.039 | -0.028 | 25.587 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLU | -1 | -0.891 | -0.943 | 29.541 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LYS | 1 | 0.820 | 0.904 | 31.092 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASP | -1 | -0.852 | -0.927 | 29.991 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | THR | 0 | -0.013 | -0.003 | 28.006 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | SER | 0 | -0.096 | -0.055 | 30.125 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | VAL | 0 | -0.007 | -0.002 | 33.603 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | GLY | 0 | 0.021 | -0.008 | 30.634 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ALA | 0 | 0.035 | 0.016 | 31.484 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LEU | 0 | 0.005 | 0.010 | 32.292 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ARG | 1 | 0.806 | 0.893 | 33.237 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ASP | -1 | -0.810 | -0.893 | 29.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | MET | 0 | -0.016 | 0.023 | 32.241 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | TYR | 0 | -0.040 | -0.027 | 35.152 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ASP | -1 | -0.913 | -0.930 | 37.469 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASN | 0 | 0.020 | -0.020 | 33.076 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | SER | 0 | -0.025 | -0.026 | 35.073 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ASP | -1 | -0.900 | -0.941 | 32.306 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | TYR | 0 | 0.003 | -0.048 | 25.096 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ILE | 0 | 0.023 | 0.016 | 25.777 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ARG | 1 | 0.877 | 0.924 | 27.658 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | THR | 0 | -0.012 | -0.011 | 29.943 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ILE | 0 | 0.035 | 0.027 | 23.346 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLU | -1 | -0.858 | -0.891 | 24.925 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | LEU | 0 | -0.088 | -0.028 | 25.989 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | LYS | 1 | 0.872 | 0.953 | 27.023 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | THR | 0 | -0.021 | -0.032 | 21.171 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.003 | -0.004 | 21.880 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | SER | 0 | 0.000 | -0.014 | 22.683 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | 0.045 | 0.029 | 22.280 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | PHE | 0 | -0.011 | 0.009 | 15.464 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | LYS | 1 | 0.879 | 0.945 | 19.804 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | -0.009 | 0.015 | 22.053 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | SER | 0 | 0.005 | -0.027 | 18.186 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | THR | 0 | -0.003 | -0.023 | 16.373 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | VAL | 0 | -0.019 | 0.019 | 18.803 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | 0.012 | 0.001 | 21.905 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | SER | 0 | -0.021 | -0.019 | 17.619 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ALA | 0 | 0.024 | 0.023 | 19.660 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | TYR | 0 | -0.073 | -0.061 | 21.555 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ALA | 0 | 0.038 | 0.028 | 20.938 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | SER | 0 | -0.052 | -0.043 | 18.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | LYS | 1 | 0.818 | 0.918 | 20.926 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | HIS | 1 | 0.866 | 0.916 | 19.859 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | TYR | 0 | -0.037 | -0.024 | 23.280 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ASN | 0 | 0.011 | 0.008 | 24.332 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | THR | 0 | -0.011 | -0.016 | 19.831 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | LYS | 1 | 0.882 | 0.948 | 22.151 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLN | 0 | 0.026 | 0.000 | 23.639 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | GLN | 0 | 0.000 | -0.018 | 20.364 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | MET | 0 | 0.024 | 0.014 | 15.830 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | LEU | 0 | -0.020 | 0.018 | 20.211 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ASP | -1 | -0.824 | -0.917 | 21.394 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | VAL | 0 | -0.011 | 0.011 | 15.074 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | GLY | 0 | 0.032 | 0.019 | 17.721 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LYS | 1 | 0.881 | 0.951 | 19.181 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | TYR | 0 | -0.010 | -0.016 | 17.706 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | LEU | 0 | 0.006 | -0.003 | 12.879 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLY | 0 | 0.019 | -0.003 | 16.668 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ILE | 0 | 0.003 | 0.003 | 19.406 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ILE | 0 | -0.041 | -0.023 | 14.947 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | TYR | 0 | -0.006 | -0.016 | 14.961 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLN | 0 | 0.049 | 0.019 | 17.334 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | VAL | 0 | -0.014 | -0.002 | 19.894 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ILE | 0 | -0.065 | -0.038 | 15.859 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | ASP | -1 | -0.857 | -0.932 | 19.125 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ASP | -1 | -0.725 | -0.827 | 20.175 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | PHE | 0 | -0.129 | -0.071 | 19.809 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | VAL | 0 | 0.017 | -0.008 | 18.217 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ASP | -1 | -0.754 | -0.839 | 21.622 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | TYR | 0 | -0.083 | -0.084 | 24.928 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LYS | 1 | 0.816 | 0.913 | 21.815 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | THR | 0 | -0.058 | -0.022 | 21.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LYS | 1 | 0.878 | 0.946 | 25.229 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | LYS | 1 | 0.803 | 0.902 | 28.186 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | VAL | 0 | 0.031 | 0.001 | 31.710 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | GLU | -1 | -0.905 | -0.949 | 32.904 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | GLU | -1 | -0.946 | -0.974 | 31.892 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | ILE | 0 | -0.040 | 0.002 | 28.247 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASP | -1 | -0.922 | -0.965 | 30.202 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | GLY | 0 | 0.074 | 0.046 | 29.941 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | SER | 0 | -0.057 | -0.076 | 28.738 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ALA | 0 | 0.064 | 0.046 | 27.197 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | LYS | 1 | 0.953 | 1.000 | 28.743 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | GLN | 0 | -0.079 | -0.035 | 31.350 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LEU | 0 | -0.004 | -0.002 | 26.102 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | PHE | 0 | 0.030 | 0.017 | 30.438 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.893 | 0.934 | 32.912 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | TYR | 0 | 0.031 | 0.030 | 29.704 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | TYR | 0 | -0.021 | -0.006 | 28.696 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ARG | 1 | 0.828 | 0.901 | 31.224 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.879 | -0.924 | 34.229 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLY | 0 | -0.016 | 0.002 | 31.432 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LYS | 1 | 0.817 | 0.884 | 30.019 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | LEU | 0 | 0.034 | 0.027 | 25.740 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | GLU | -1 | -0.825 | -0.920 | 21.293 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLU | -1 | -0.854 | -0.902 | 23.814 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | TYR | 0 | 0.055 | 0.026 | 24.973 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | VAL | 0 | 0.043 | 0.023 | 20.735 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ARG | 1 | 0.909 | 0.952 | 16.443 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | SER | 0 | -0.070 | -0.041 | 20.533 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | VAL | 0 | 0.049 | 0.024 | 21.997 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | TYR | 0 | 0.011 | -0.010 | 12.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LEU | 0 | 0.006 | 0.001 | 17.030 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLU | -1 | -0.830 | -0.895 | 18.800 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | TYR | 0 | -0.052 | -0.049 | 19.389 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LYS | 1 | 0.870 | 0.938 | 10.072 | -0.965 | -0.965 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLN | 0 | -0.026 | -0.010 | 15.156 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | LYS | 1 | 0.878 | 0.941 | 17.347 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | TYR | 0 | -0.042 | -0.043 | 10.387 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ASP | -1 | -0.846 | -0.937 | 11.861 | 0.625 | 0.625 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | GLU | -1 | -0.970 | -0.961 | 13.779 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | LEU | 0 | -0.020 | 0.011 | 16.897 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ILE | 0 | -0.014 | -0.019 | 10.965 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | SER | 0 | -0.093 | -0.053 | 14.309 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ASN | 0 | -0.052 | -0.018 | 15.800 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ILE | 0 | 0.014 | 0.006 | 15.944 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | PRO | 0 | -0.022 | 0.000 | 15.634 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | PHE | 0 | 0.025 | 0.012 | 12.039 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | GLN | 0 | -0.010 | -0.018 | 12.659 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.039 | -0.004 | 10.736 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | LYS | 1 | 0.858 | 0.929 | 9.083 | 0.985 | 0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | TYR | 0 | 0.101 | 0.058 | 6.586 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | 0.075 | 0.050 | 7.011 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | SER | 0 | -0.080 | -0.065 | 3.944 | 0.246 | 0.384 | 0.000 | -0.023 | -0.115 | 0.000 |
260 | A | 260 | GLU | -1 | -0.809 | -0.912 | 2.492 | -13.813 | -9.268 | 5.041 | -3.739 | -5.847 | -0.054 |
261 | A | 261 | ILE | 0 | 0.017 | 0.018 | 4.031 | 0.523 | 0.622 | 0.002 | 0.004 | -0.105 | 0.000 |
262 | A | 262 | ARG | 1 | 0.962 | 0.986 | 6.237 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | SER | 0 | 0.062 | 0.036 | 3.720 | -1.847 | -1.339 | 0.064 | -0.174 | -0.398 | 0.002 |
264 | A | 264 | LEU | 0 | 0.019 | 0.024 | 6.726 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | PRO | 0 | -0.002 | 0.009 | 8.622 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | GLU | -1 | -0.929 | -0.962 | 7.267 | 2.825 | 2.825 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | PHE | 0 | -0.042 | -0.028 | 5.226 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LEU | 0 | -0.032 | -0.023 | 7.363 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | 0.023 | 0.022 | 10.579 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | ASN | 0 | -0.012 | -0.028 | 9.262 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | GLY | 0 | -0.046 | -0.016 | 10.144 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | LEU | 0 | 0.002 | -0.003 | 11.011 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LEU | 0 | -0.012 | -0.013 | 14.001 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | LYS | 1 | 0.854 | 0.929 | 11.726 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | GLU | -1 | -0.965 | -0.968 | 14.576 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ALA | 0 | -0.073 | -0.034 | 17.453 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |