![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: N9RNQ
Calculation Name: 4LZH-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4LZH
Chain ID: A
UniProt ID: A6T6R4
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 | 284 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3804952.32717 |
---|---|
FMO2-HF: Nuclear repulsion | 3697002.704721 |
FMO2-HF: Total energy | -107949.62245 |
FMO2-MP2: Total energy | -108266.782991 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031480/ligand_interaction/ligand_F031480.png)
Ligand Interaction
![ligand interaction](./Kdata/F031480/ligand_interaction/ligand_interaction_F031480.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:21:ASN)
Summations of interaction energy for
fragment #1(A:21:ASN)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-30.107 | -25.885 | 15.757 | -8.418 | -11.561 | -0.005 |
Interaction energy analysis for fragmet #1(A:21:ASN)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 23 | VAL | 0 | 0.016 | 0.028 | 2.180 | -4.857 | -2.635 | 5.345 | -3.097 | -4.469 | 0.022 |
4 | A | 24 | THR | 0 | -0.031 | -0.014 | 2.151 | -8.459 | -6.737 | 5.155 | -2.496 | -4.381 | 0.014 |
5 | A | 25 | TYR | 0 | -0.030 | -0.026 | 3.965 | -2.986 | -2.900 | 0.009 | -0.110 | 0.015 | 0.001 |
6 | A | 26 | PRO | 0 | -0.022 | -0.028 | 6.695 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 27 | LEU | 0 | 0.005 | 0.011 | 9.417 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 28 | PRO | 0 | -0.013 | 0.002 | 12.817 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 29 | THR | 0 | -0.006 | -0.016 | 15.571 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 30 | ASP | -1 | -0.892 | -0.929 | 18.573 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 31 | GLY | 0 | -0.003 | -0.002 | 20.291 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 32 | SER | 0 | -0.053 | -0.041 | 17.664 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 33 | ARG | 1 | 0.814 | 0.884 | 16.632 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 34 | LEU | 0 | -0.038 | 0.010 | 15.660 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 35 | VAL | 0 | -0.006 | -0.011 | 10.773 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 36 | GLY | 0 | 0.041 | 0.004 | 9.768 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 37 | GLN | 0 | -0.027 | -0.018 | 10.328 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 38 | ASN | 0 | 0.019 | 0.018 | 10.981 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 39 | GLN | 0 | -0.023 | -0.017 | 7.881 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 40 | VAL | 0 | 0.021 | 0.009 | 13.125 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 41 | ILE | 0 | -0.047 | -0.007 | 13.386 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 42 | THR | 0 | 0.023 | 0.003 | 16.471 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 43 | ILE | 0 | -0.057 | -0.010 | 18.198 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 44 | PRO | 0 | 0.029 | 0.011 | 19.339 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 45 | ASP | -1 | -0.860 | -0.939 | 22.583 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 46 | ASP | -1 | -0.924 | -0.970 | 24.597 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 47 | ASN | 0 | -0.019 | -0.004 | 20.957 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 48 | LYS | 1 | 0.845 | 0.907 | 22.802 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 49 | GLN | 0 | -0.020 | 0.002 | 18.379 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 50 | PRO | 0 | 0.107 | 0.056 | 19.018 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 51 | LEU | 0 | 0.033 | -0.006 | 16.873 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 52 | GLU | -1 | -0.829 | -0.905 | 14.387 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 53 | TYR | 0 | -0.031 | 0.004 | 14.033 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 54 | PHE | 0 | -0.002 | -0.008 | 12.925 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 55 | ALA | 0 | 0.019 | 0.011 | 11.282 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 56 | ALA | 0 | -0.008 | -0.007 | 9.714 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 57 | LYS | 1 | 0.902 | 0.972 | 8.125 | 0.699 | 0.699 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 58 | TYR | 0 | -0.033 | -0.031 | 6.972 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 59 | GLN | 0 | -0.010 | 0.002 | 1.967 | -11.828 | -11.849 | 5.249 | -2.685 | -2.543 | -0.042 |
40 | A | 60 | MET | 0 | 0.001 | 0.012 | 6.513 | 0.664 | 0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 61 | GLY | 0 | 0.081 | 0.028 | 9.810 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 62 | LEU | 0 | -0.008 | -0.014 | 12.985 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 63 | SER | 0 | 0.008 | -0.011 | 16.032 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 64 | ASN | 0 | -0.006 | -0.015 | 13.550 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 65 | MET | 0 | -0.003 | 0.002 | 13.112 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 66 | LEU | 0 | -0.011 | -0.002 | 16.119 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 67 | GLU | -1 | -0.759 | -0.842 | 18.749 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 68 | ALA | 0 | -0.001 | 0.002 | 17.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 69 | ASN | 0 | -0.100 | -0.045 | 16.883 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 70 | PRO | 0 | 0.078 | 0.031 | 20.909 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 71 | GLY | 0 | 0.015 | 0.011 | 24.594 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 72 | VAL | 0 | -0.061 | -0.016 | 20.183 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 73 | ASP | -1 | -0.870 | -0.937 | 23.472 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 74 | THR | 0 | 0.000 | -0.024 | 21.168 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 75 | TYR | 0 | -0.031 | -0.006 | 21.794 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 76 | LEU | 0 | -0.034 | -0.018 | 23.148 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 77 | PRO | 0 | -0.013 | 0.013 | 19.367 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 78 | LYS | 1 | 0.985 | 0.997 | 22.540 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 79 | GLY | 0 | 0.072 | 0.046 | 24.226 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 80 | GLY | 0 | 0.012 | 0.006 | 24.352 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 81 | SER | 0 | -0.105 | -0.052 | 23.241 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 82 | VAL | 0 | -0.030 | -0.027 | 20.742 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 83 | LEU | 0 | -0.017 | -0.007 | 15.416 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 84 | ASN | 0 | -0.005 | -0.021 | 16.752 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 85 | ILE | 0 | -0.003 | -0.005 | 10.047 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 86 | PRO | 0 | 0.014 | 0.008 | 12.615 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 87 | GLN | 0 | 0.027 | -0.001 | 6.545 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 88 | GLN | 0 | -0.065 | -0.014 | 9.739 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 89 | LEU | 0 | -0.034 | -0.026 | 9.537 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 90 | ILE | 0 | 0.024 | 0.013 | 13.564 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 91 | LEU | 0 | -0.029 | -0.012 | 11.682 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 92 | PRO | 0 | 0.044 | 0.007 | 14.778 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 93 | ASP | -1 | -0.890 | -0.919 | 17.822 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 94 | THR | 0 | -0.027 | -0.014 | 18.336 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 95 | VAL | 0 | -0.003 | -0.005 | 19.875 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 96 | HIS | 0 | -0.010 | -0.010 | 16.153 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 97 | GLU | -1 | -0.863 | -0.930 | 17.106 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 98 | GLY | 0 | -0.051 | -0.018 | 16.393 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 99 | ILE | 0 | 0.010 | -0.011 | 13.713 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 100 | ILE | 0 | 0.016 | 0.014 | 14.576 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 101 | ILE | 0 | -0.011 | -0.012 | 14.634 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 102 | ASN | 0 | 0.032 | 0.003 | 16.077 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 103 | SER | 0 | 0.033 | 0.008 | 17.267 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 104 | ALA | 0 | 0.011 | 0.022 | 19.538 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 105 | GLU | -1 | -0.730 | -0.810 | 15.364 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 106 | MET | 0 | -0.063 | -0.005 | 15.354 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 107 | ARG | 1 | 0.869 | 0.933 | 11.177 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 108 | LEU | 0 | -0.010 | 0.002 | 10.768 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 109 | TYR | 0 | -0.043 | -0.048 | 10.171 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 110 | TYR | 0 | -0.041 | -0.050 | 9.646 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 111 | TYR | 0 | 0.061 | 0.035 | 10.038 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 112 | PRO | 0 | -0.016 | -0.006 | 9.756 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 113 | LYS | 1 | 0.877 | 0.909 | 13.018 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 114 | GLY | 0 | -0.010 | 0.011 | 14.153 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 115 | THR | 0 | -0.021 | 0.002 | 9.302 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 116 | ASN | 0 | 0.032 | 0.019 | 11.916 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 117 | THR | 0 | -0.042 | -0.032 | 7.547 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 118 | VAL | 0 | 0.016 | 0.007 | 8.720 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 119 | ILE | 0 | -0.031 | -0.012 | 4.111 | 0.141 | 0.354 | -0.001 | -0.030 | -0.183 | 0.000 |
100 | A | 120 | VAL | 0 | -0.002 | 0.002 | 5.472 | -1.289 | -1.289 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 121 | LEU | 0 | -0.033 | -0.016 | 5.490 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 122 | PRO | 0 | 0.015 | 0.031 | 7.515 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 123 | ILE | 0 | -0.005 | -0.025 | 10.534 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 124 | GLY | 0 | 0.004 | 0.020 | 13.723 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 125 | ILE | 0 | -0.036 | -0.011 | 17.087 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 126 | GLY | 0 | 0.100 | 0.072 | 20.281 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 127 | GLN | 0 | -0.160 | -0.123 | 23.931 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 128 | LEU | 0 | 0.040 | 0.012 | 25.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 129 | GLY | 0 | -0.028 | -0.030 | 22.553 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 130 | LYN | 0 | -0.051 | -0.015 | 22.839 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 131 | ASP | -1 | -0.798 | -0.861 | 25.220 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 132 | THR | 0 | -0.136 | -0.083 | 27.491 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 133 | PRO | 0 | -0.041 | 0.004 | 23.617 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 134 | ILE | 0 | 0.042 | 0.028 | 23.664 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 135 | ASN | 0 | 0.045 | 0.002 | 24.297 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 136 | TRP | 0 | -0.054 | -0.023 | 24.545 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 137 | THR | 0 | -0.004 | 0.002 | 23.525 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 138 | THR | 0 | -0.040 | -0.026 | 22.977 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 139 | LYS | 1 | 0.887 | 0.930 | 22.162 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 140 | VAL | 0 | 0.007 | 0.012 | 18.360 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 141 | GLU | -1 | -0.883 | -0.941 | 21.779 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 142 | ARG | 1 | 0.924 | 0.964 | 23.689 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 143 | LYS | 1 | 0.851 | 0.914 | 17.287 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 144 | LYS | 1 | 0.815 | 0.903 | 21.069 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 145 | ALA | 0 | 0.057 | 0.042 | 20.038 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 146 | GLY | 0 | 0.018 | -0.003 | 20.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 147 | PRO | 0 | -0.068 | -0.026 | 21.067 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 148 | THR | 0 | 0.043 | 0.027 | 24.022 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 149 | TRP | 0 | 0.001 | -0.008 | 25.977 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 150 | THR | 0 | -0.011 | -0.006 | 27.743 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 151 | PRO | 0 | 0.025 | 0.031 | 30.835 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 152 | THR | 0 | 0.025 | 0.010 | 31.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 153 | ALA | 0 | 0.061 | 0.017 | 33.939 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 154 | LYS | 1 | 0.897 | 0.952 | 35.729 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 155 | MET | 0 | 0.030 | 0.022 | 29.308 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 156 | HIS | 0 | -0.006 | -0.010 | 34.928 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 157 | ALA | 0 | -0.010 | 0.001 | 37.169 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 158 | GLU | -1 | -0.912 | -0.953 | 35.506 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 159 | TYR | 0 | -0.004 | -0.021 | 31.049 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 160 | ALA | 0 | 0.014 | 0.014 | 37.671 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 161 | ALA | 0 | -0.031 | -0.014 | 40.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 162 | ALA | 0 | -0.046 | -0.018 | 38.784 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 163 | GLY | 0 | 0.005 | 0.019 | 40.878 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 164 | ASN | 0 | -0.053 | -0.025 | 35.935 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 165 | PRO | 0 | 0.001 | -0.012 | 37.052 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 166 | LEU | 0 | -0.019 | -0.002 | 32.094 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 167 | PRO | 0 | -0.009 | -0.008 | 33.657 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 168 | ALA | 0 | 0.040 | 0.019 | 34.730 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 169 | VAL | 0 | -0.021 | -0.021 | 31.703 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 170 | VAL | 0 | -0.001 | 0.010 | 28.316 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 171 | PRO | 0 | 0.042 | 0.008 | 28.974 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 172 | ALA | 0 | 0.009 | 0.023 | 24.969 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 173 | GLY | 0 | 0.015 | -0.005 | 24.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 174 | PRO | 0 | -0.003 | -0.009 | 22.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 175 | ASP | -1 | -0.878 | -0.935 | 23.172 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 176 | ASN | 0 | -0.051 | -0.037 | 23.529 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 177 | PRO | 0 | 0.033 | 0.019 | 22.484 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 178 | MET | 0 | -0.055 | -0.023 | 21.093 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 179 | GLY | 0 | 0.014 | 0.020 | 18.312 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 180 | LEU | 0 | 0.009 | -0.010 | 17.244 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 181 | TYR | 0 | 0.000 | -0.007 | 15.219 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 182 | ALA | 0 | 0.026 | 0.019 | 18.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 183 | LEU | 0 | 0.002 | 0.008 | 15.569 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 184 | TYR | 0 | -0.018 | -0.018 | 19.659 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 185 | ILE | 0 | 0.047 | 0.016 | 20.335 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 186 | GLY | 0 | 0.081 | 0.065 | 23.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 187 | ARG | 1 | 0.914 | 0.939 | 27.019 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 188 | LEU | 0 | -0.023 | -0.020 | 28.820 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 189 | TYR | 0 | 0.002 | 0.023 | 23.903 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 190 | ALA | 0 | -0.028 | -0.030 | 21.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 191 | ILE | 0 | 0.055 | 0.050 | 15.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 192 | HIS | 0 | -0.046 | -0.053 | 17.446 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 193 | GLY | 0 | 0.079 | 0.044 | 15.433 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 194 | THR | 0 | -0.012 | -0.008 | 15.788 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 195 | ASN | 0 | 0.026 | 0.015 | 17.567 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 196 | ALA | 0 | -0.019 | 0.007 | 19.553 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 197 | ASN | 0 | -0.019 | -0.020 | 17.880 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 198 | PHE | 0 | 0.023 | 0.006 | 17.228 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 199 | GLY | 0 | 0.019 | 0.004 | 17.655 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 200 | ILE | 0 | -0.033 | -0.003 | 11.561 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 201 | GLY | 0 | 0.034 | -0.001 | 15.030 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 202 | LEU | 0 | -0.036 | -0.001 | 15.955 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 203 | ARG | 0 | 0.095 | 0.052 | 19.625 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 204 | VAL | 0 | -0.035 | -0.028 | 21.410 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 205 | SER | 0 | 0.031 | 0.020 | 23.925 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 206 | HIS | 0 | 0.020 | -0.011 | 25.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 207 | GLY | 0 | -0.003 | 0.007 | 22.878 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 208 | CYM | -1 | -0.873 | -0.909 | 22.156 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 209 | VAL | 0 | 0.042 | 0.019 | 16.003 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 210 | ARG | 1 | 0.831 | 0.912 | 16.603 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 211 | LEU | 0 | 0.042 | 0.004 | 10.091 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 212 | ARG | 1 | 0.846 | 0.889 | 9.627 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 213 | ASN | 0 | 0.010 | -0.003 | 11.140 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 214 | ASP | -1 | -0.881 | -0.945 | 7.695 | -0.982 | -0.982 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 215 | ASP | -1 | -0.815 | -0.904 | 6.125 | -0.946 | -0.946 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 216 | ILE | 0 | -0.037 | -0.020 | 8.355 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 217 | LYS | 1 | 0.837 | 0.906 | 11.114 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 218 | PHE | 0 | 0.068 | 0.039 | 7.367 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 219 | LEU | 0 | 0.036 | 0.016 | 9.776 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 220 | PHE | 0 | -0.014 | -0.018 | 11.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 221 | GLU | -1 | -0.896 | -0.929 | 12.285 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 222 | ASN | 0 | -0.038 | -0.014 | 10.331 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 223 | VAL | 0 | 0.013 | 0.039 | 12.920 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 224 | PRO | 0 | -0.034 | 0.006 | 15.237 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 225 | VAL | 0 | 0.014 | 0.000 | 18.875 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 226 | GLY | 0 | -0.019 | -0.010 | 21.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 227 | THR | 0 | -0.058 | -0.027 | 16.417 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 228 | ARG | 1 | 0.931 | 0.961 | 19.901 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 229 | VAL | 0 | 0.028 | 0.010 | 18.350 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 230 | GLN | 0 | 0.013 | 0.025 | 19.092 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 231 | PHE | 0 | -0.008 | 0.001 | 19.361 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 232 | ILE | 0 | -0.017 | -0.017 | 18.636 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 233 | ASP | -1 | -0.865 | -0.949 | 21.413 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 234 | GLU | -1 | -0.957 | -0.978 | 20.995 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 235 | PRO | 0 | 0.037 | 0.020 | 20.775 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 236 | VAL | 0 | -0.018 | -0.010 | 21.884 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 237 | LYS | 1 | 0.780 | 0.888 | 15.469 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 238 | ALA | 0 | 0.019 | -0.015 | 21.479 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 239 | THR | 0 | -0.060 | -0.051 | 19.690 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 240 | THR | 0 | 0.032 | 0.016 | 22.833 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 241 | GLU | -1 | -0.743 | -0.846 | 19.239 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 242 | PRO | 0 | 0.013 | 0.008 | 21.771 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 243 | ASP | -1 | -0.868 | -0.898 | 23.840 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 244 | GLY | 0 | -0.005 | 0.003 | 25.599 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 245 | SER | 0 | -0.111 | -0.075 | 23.569 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 246 | ARG | 1 | 0.822 | 0.877 | 24.913 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 247 | TYR | 0 | 0.011 | 0.007 | 20.951 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 248 | ILE | 0 | 0.021 | 0.011 | 22.904 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 249 | GLU | -1 | -0.710 | -0.843 | 16.064 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 250 | VAL | 0 | 0.011 | 0.008 | 20.573 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 251 | HIS | 1 | 0.772 | 0.867 | 16.239 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 252 | ASN | 0 | 0.004 | -0.019 | 21.464 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 253 | PRO | 0 | 0.021 | 0.011 | 23.033 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 254 | LEU | 0 | 0.031 | 0.039 | 22.580 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 255 | SER | 0 | -0.038 | -0.021 | 24.703 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 256 | THR | 0 | -0.068 | -0.046 | 25.519 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 257 | THR | 0 | 0.024 | 0.019 | 26.776 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 258 | GLU | -1 | -0.877 | -0.959 | 27.786 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 259 | ALA | 0 | 0.010 | 0.004 | 28.791 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 260 | GLN | 0 | -0.059 | -0.039 | 29.910 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 261 | PHE | 0 | -0.062 | -0.027 | 21.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 262 | GLN | 0 | -0.058 | -0.036 | 26.027 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 263 | GLY | 0 | 0.020 | 0.034 | 29.684 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 264 | GLY | 0 | -0.066 | -0.024 | 32.602 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 265 | GLU | -1 | -0.913 | -0.955 | 33.870 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 266 | ILE | 0 | 0.023 | 0.002 | 33.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 267 | VAL | 0 | 0.042 | 0.020 | 28.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 268 | PRO | 0 | -0.021 | -0.010 | 30.793 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 269 | ILE | 0 | 0.021 | 0.020 | 26.444 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 270 | THR | 0 | -0.011 | 0.001 | 30.178 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 271 | LEU | 0 | 0.008 | 0.004 | 28.425 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 272 | THR | 0 | 0.066 | 0.036 | 27.040 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 273 | GLN | 0 | 0.016 | -0.014 | 30.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 274 | PRO | 0 | 0.031 | 0.008 | 26.693 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 275 | VAL | 0 | 0.034 | 0.033 | 24.954 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 276 | GLN | 0 | -0.021 | -0.017 | 27.416 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 277 | ALA | 0 | -0.008 | 0.011 | 29.133 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 278 | VAL | 0 | -0.058 | -0.014 | 25.436 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 279 | THR | 0 | 0.067 | 0.002 | 27.690 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 280 | SER | 0 | -0.035 | -0.012 | 30.003 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 281 | GLN | 0 | -0.043 | -0.010 | 30.769 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 282 | SER | 0 | 0.005 | -0.007 | 33.680 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 283 | ASP | -1 | -0.849 | -0.887 | 31.624 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 284 | VAL | 0 | -0.051 | -0.014 | 29.954 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 285 | ASP | -1 | -0.784 | -0.894 | 31.416 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 286 | GLN | 0 | -0.007 | -0.038 | 31.632 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 287 | ASN | 0 | -0.053 | -0.025 | 33.166 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 288 | VAL | 0 | -0.012 | 0.005 | 27.197 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 289 | VAL | 0 | -0.017 | -0.009 | 28.488 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 290 | GLU | -1 | -0.930 | -0.962 | 29.363 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 291 | GLN | 0 | 0.020 | 0.005 | 29.114 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 292 | ALA | 0 | -0.023 | 0.006 | 25.162 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 293 | ILE | 0 | 0.000 | -0.008 | 26.035 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 294 | GLN | 0 | -0.035 | -0.023 | 28.305 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 295 | ASN | 0 | -0.070 | -0.048 | 25.621 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 296 | ARG | 1 | 0.771 | 0.902 | 23.829 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 297 | SER | 0 | 0.036 | 0.007 | 21.155 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 298 | GLY | 0 | -0.002 | -0.012 | 18.140 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 299 | MET | 0 | -0.064 | -0.025 | 16.152 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 300 | PRO | 0 | -0.039 | -0.016 | 16.024 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 301 | VAL | 0 | -0.001 | 0.014 | 18.996 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 302 | ARG | 1 | 0.908 | 0.951 | 22.409 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 303 | LEU | 0 | -0.007 | -0.018 | 24.340 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 304 | ASN | 0 | -0.014 | 0.003 | 27.610 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |