![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2N94R
Calculation Name: 5F42-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5F42
Chain ID: A
UniProt ID: A0Q7Y0
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | 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 | 276 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3485278.803541 |
---|---|
FMO2-HF: Nuclear repulsion | 3379215.156025 |
FMO2-HF: Total energy | -106063.647516 |
FMO2-MP2: Total energy | -106369.266177 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F036713/ligand_interaction/ligand_F036713.png)
Ligand Interaction
![ligand interaction](./Kdata/F036713/ligand_interaction/ligand_interaction_F036713.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: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. |
-8.83 | -6.679 | 8.253 | -4.677 | -5.726 | -0.016 |
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 | HIS | 0 | 0.002 | 0.006 | 3.796 | -1.094 | 1.422 | -0.013 | -1.192 | -1.311 | 0.007 |
4 | A | 4 | SER | 0 | 0.050 | 0.008 | 4.975 | 0.169 | 0.268 | -0.001 | -0.003 | -0.094 | 0.000 |
5 | A | 5 | LEU | 0 | -0.063 | -0.033 | 7.401 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ALA | 0 | -0.047 | -0.002 | 8.346 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | VAL | 0 | 0.006 | 0.003 | 9.992 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | VAL | 0 | 0.017 | 0.001 | 8.670 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | HIS | 0 | 0.020 | 0.039 | 12.005 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLU | -1 | -0.885 | -0.956 | 13.452 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | SER | 0 | -0.094 | -0.057 | 14.479 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | -0.029 | -0.003 | 12.003 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | LYS | 1 | 0.910 | 0.948 | 11.540 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ILE | 0 | 0.023 | 0.005 | 5.384 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | 0.001 | 0.009 | 7.313 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.864 | -0.938 | 5.005 | -1.552 | -1.542 | -0.001 | -0.003 | -0.006 | 0.000 |
17 | A | 17 | SER | 0 | -0.033 | -0.015 | 3.336 | -0.526 | 0.126 | 0.024 | -0.255 | -0.421 | -0.002 |
18 | A | 18 | ALA | 0 | -0.032 | 0.001 | 4.162 | 0.276 | 0.544 | 0.000 | -0.121 | -0.146 | 0.000 |
19 | A | 19 | ILE | 0 | -0.016 | 0.001 | 1.988 | -8.417 | -10.066 | 8.230 | -3.216 | -3.365 | -0.021 |
20 | A | 20 | ILE | 0 | -0.004 | 0.000 | 3.278 | 2.703 | 2.958 | 0.014 | 0.113 | -0.383 | 0.000 |
21 | A | 21 | GLY | 0 | 0.062 | 0.023 | 5.756 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PRO | 0 | -0.033 | -0.015 | 7.641 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | PHE | 0 | 0.005 | -0.036 | 9.778 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | CYS | 0 | -0.056 | 0.011 | 9.827 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | VAL | 0 | 0.005 | 0.010 | 12.331 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ILE | 0 | -0.024 | -0.015 | 10.225 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLY | 0 | 0.057 | 0.028 | 13.718 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | LYS | 1 | 0.901 | 0.929 | 15.802 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ASN | 0 | -0.016 | -0.013 | 17.343 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | VAL | 0 | 0.029 | 0.042 | 12.609 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | VAL | 0 | -0.033 | -0.011 | 12.854 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ILE | 0 | -0.009 | -0.009 | 8.289 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | GLY | 0 | 0.017 | 0.008 | 9.325 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLU | -1 | -0.933 | -0.989 | 8.116 | -0.687 | -0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASN | 0 | -0.010 | -0.024 | 7.132 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | THR | 0 | -0.046 | -0.005 | 7.778 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | GLU | -1 | -0.857 | -0.915 | 6.355 | -1.415 | -1.415 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | -0.015 | -0.010 | 7.161 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LYS | 1 | 0.882 | 0.942 | 8.266 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | SER | 0 | 0.028 | -0.006 | 9.616 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | HIS | 0 | -0.006 | 0.009 | 11.828 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | VAL | 0 | -0.006 | 0.001 | 12.215 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | THR | 0 | 0.001 | 0.011 | 14.011 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ILE | 0 | -0.042 | -0.022 | 12.655 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLY | 0 | 0.063 | 0.022 | 15.890 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ASP | -1 | -0.849 | -0.941 | 17.990 | -0.627 | -0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | ASN | 0 | -0.052 | -0.026 | 18.980 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ALA | 0 | 0.000 | 0.034 | 16.404 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | -0.001 | -0.002 | 15.894 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ILE | 0 | -0.015 | -0.009 | 12.635 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | GLY | 0 | 0.057 | 0.040 | 13.164 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | LYS | 1 | 0.933 | 0.968 | 11.619 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ASN | 0 | -0.017 | -0.015 | 11.206 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | ASN | 0 | -0.014 | 0.001 | 11.790 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ARG | 1 | 0.872 | 0.930 | 10.473 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ILE | 0 | 0.010 | -0.003 | 11.602 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | PHE | 0 | -0.048 | -0.040 | 12.332 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLN | 0 | 0.110 | 0.054 | 14.808 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | TYR | 0 | -0.012 | -0.037 | 15.698 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ALA | 0 | -0.026 | 0.026 | 16.371 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | SER | 0 | -0.034 | -0.013 | 17.263 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | 0.022 | -0.018 | 15.824 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | 0.015 | -0.007 | 18.442 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ASP | -1 | -0.903 | -0.922 | 20.680 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ASP | -1 | -0.912 | -0.973 | 22.854 | -0.339 | -0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | PRO | 0 | -0.057 | -0.028 | 26.606 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ILE | 0 | -0.019 | 0.003 | 29.044 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ASP | -1 | -0.825 | -0.943 | 31.875 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | TYR | 0 | -0.010 | 0.002 | 34.661 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | THR | 0 | -0.101 | -0.059 | 36.797 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | TYR | 0 | 0.006 | 0.016 | 28.269 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | LYS | 1 | 0.952 | 0.973 | 33.891 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | LYS | 1 | 1.001 | 0.997 | 28.597 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | -0.036 | -0.022 | 30.492 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ASP | -1 | -0.892 | -0.933 | 31.282 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | PHE | 0 | -0.060 | -0.029 | 23.927 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | SER | 0 | -0.006 | -0.017 | 25.736 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | -0.020 | -0.023 | 20.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | VAL | 0 | 0.010 | 0.014 | 19.700 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | VAL | 0 | -0.017 | -0.005 | 19.591 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | ILE | 0 | -0.025 | -0.020 | 16.785 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | GLY | 0 | 0.020 | 0.023 | 17.348 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ASP | -1 | -0.830 | -0.928 | 15.950 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ASN | 0 | -0.053 | -0.045 | 15.534 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ASN | 0 | -0.009 | 0.003 | 16.452 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ILE | 0 | -0.018 | -0.008 | 15.755 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ILE | 0 | 0.011 | 0.007 | 16.341 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ARG | 1 | 0.879 | 0.939 | 16.772 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLU | -1 | -0.829 | -0.929 | 18.388 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | CYS | 0 | -0.058 | -0.035 | 19.841 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ALA | 0 | 0.008 | 0.036 | 20.230 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | THR | 0 | -0.020 | -0.010 | 21.217 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ILE | 0 | 0.007 | 0.001 | 19.826 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | HIS | 0 | 0.077 | 0.042 | 22.298 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLY | 0 | 0.075 | 0.056 | 24.567 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | GLY | 0 | -0.027 | -0.009 | 25.121 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | -0.055 | -0.073 | 28.307 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ALA | 0 | 0.059 | 0.013 | 31.547 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LYS | 1 | 0.815 | 0.931 | 33.820 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | GLU | -1 | -0.897 | -0.941 | 33.115 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.006 | -0.008 | 29.422 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | GLY | 0 | 0.049 | 0.034 | 29.209 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | VAL | 0 | -0.047 | -0.025 | 24.589 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | THR | 0 | -0.031 | -0.025 | 24.542 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | SER | 0 | -0.061 | -0.025 | 23.445 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | VAL | 0 | 0.017 | -0.003 | 21.029 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLY | 0 | 0.023 | 0.027 | 21.509 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ASN | 0 | 0.041 | 0.017 | 20.476 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ASN | 0 | -0.006 | -0.018 | 20.084 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ASN | 0 | -0.001 | 0.009 | 21.088 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ILE | 0 | -0.013 | -0.001 | 20.595 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | 0.014 | 0.006 | 20.844 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | MET | 0 | -0.008 | 0.002 | 21.210 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | CYS | 0 | 0.006 | 0.007 | 22.222 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | TYR | 0 | 0.001 | -0.017 | 23.799 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | VAL | 0 | -0.044 | 0.011 | 24.420 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | HIS | 0 | -0.051 | -0.020 | 24.820 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | ILE | 0 | -0.003 | -0.008 | 23.550 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLY | 0 | 0.074 | 0.033 | 26.453 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | HIS | 1 | 0.846 | 0.918 | 28.361 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ASP | -1 | -0.727 | -0.822 | 28.481 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | CYS | 0 | -0.085 | -0.004 | 27.973 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | LYS | 1 | 0.955 | 0.980 | 27.924 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ILE | 0 | -0.023 | -0.014 | 25.216 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLY | 0 | 0.038 | 0.024 | 25.969 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | SER | 0 | 0.030 | -0.003 | 24.934 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | -0.018 | -0.017 | 24.684 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ILE | 0 | -0.041 | 0.001 | 25.828 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ASN | 0 | -0.057 | -0.025 | 25.424 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | LEU | 0 | 0.012 | 0.004 | 25.692 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | VAL | 0 | 0.028 | -0.012 | 26.243 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ASN | 0 | 0.044 | -0.001 | 26.555 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLY | 0 | 0.048 | 0.023 | 27.812 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | VAL | 0 | -0.039 | 0.008 | 28.924 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLY | 0 | 0.015 | 0.010 | 29.290 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | LEU | 0 | -0.065 | -0.040 | 28.680 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ALA | 0 | 0.057 | 0.028 | 30.982 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | GLY | 0 | 0.050 | 0.017 | 32.076 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | HIS | 0 | -0.033 | -0.047 | 32.343 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | VAL | 0 | -0.010 | 0.003 | 32.252 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | HIS | 0 | -0.067 | -0.030 | 31.479 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ILE | 0 | 0.007 | -0.002 | 29.758 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASP | -1 | -0.788 | -0.893 | 30.317 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ASP | -1 | -0.835 | -0.933 | 29.290 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | TYR | 0 | -0.047 | -0.043 | 29.401 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | -0.047 | 0.003 | 30.815 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | -0.034 | -0.019 | 30.463 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LEU | 0 | 0.012 | 0.010 | 30.978 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | SER | 0 | 0.007 | -0.020 | 31.135 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | SER | 0 | -0.028 | -0.021 | 31.612 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ASN | 0 | 0.008 | -0.011 | 32.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | VAL | 0 | -0.021 | 0.017 | 33.628 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | GLY | 0 | 0.035 | 0.030 | 33.715 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | VAL | 0 | -0.019 | -0.008 | 34.412 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | HIS | 0 | 0.017 | 0.001 | 35.730 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLN | 0 | 0.028 | 0.000 | 36.137 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | PHE | 0 | 0.009 | 0.006 | 36.509 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | CYS | 0 | -0.065 | 0.002 | 37.600 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ARG | 1 | 0.819 | 0.902 | 35.969 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | VAL | 0 | -0.019 | -0.010 | 34.531 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | GLY | 0 | 0.051 | 0.027 | 35.054 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.986 | 0.983 | 33.939 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | HIS | 0 | 0.023 | 0.009 | 34.169 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ALA | 0 | 0.004 | 0.032 | 35.553 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | PHE | 0 | -0.024 | -0.015 | 34.777 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ILE | 0 | 0.009 | 0.004 | 35.715 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ALA | 0 | 0.024 | 0.005 | 36.037 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | HIS | 0 | 0.027 | -0.009 | 35.704 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | -0.029 | -0.007 | 36.557 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ALA | 0 | -0.010 | 0.016 | 38.244 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | -0.009 | 0.001 | 38.372 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | VAL | 0 | 0.000 | -0.012 | 37.980 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | GLY | 0 | 0.022 | -0.005 | 39.672 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | LYS | 1 | 0.835 | 0.925 | 42.325 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ASP | -1 | -0.722 | -0.847 | 40.629 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | VAL | 0 | -0.021 | -0.014 | 39.091 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PRO | 0 | 0.006 | 0.003 | 39.946 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | PRO | 0 | 0.045 | 0.024 | 38.906 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | TYR | 0 | -0.050 | -0.053 | 38.814 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | LEU | 0 | -0.017 | 0.001 | 40.317 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | MET | 0 | -0.019 | 0.019 | 39.935 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | VAL | 0 | -0.002 | 0.005 | 40.214 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | THR | 0 | 0.040 | 0.007 | 40.762 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ALA | 0 | 0.058 | 0.031 | 41.676 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | VAL | 0 | -0.029 | 0.014 | 43.406 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ASN | 0 | -0.014 | -0.032 | 45.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ALA | 0 | 0.022 | 0.017 | 44.491 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | GLY | 0 | 0.019 | 0.010 | 43.924 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | SER | 0 | -0.050 | -0.045 | 42.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | THR | 0 | 0.040 | 0.026 | 44.324 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | PRO | 0 | -0.028 | -0.016 | 45.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | CYS | 0 | -0.034 | -0.008 | 44.707 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLY | 0 | 0.013 | 0.010 | 45.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ILE | 0 | -0.020 | -0.023 | 43.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ASN | 0 | 0.014 | -0.002 | 36.154 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | THR | 0 | -0.026 | -0.059 | 39.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLU | -1 | -0.833 | -0.912 | 37.205 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLY | 0 | 0.018 | 0.006 | 35.647 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | LEU | 0 | -0.017 | -0.017 | 36.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.973 | 0.977 | 38.498 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ARG | 1 | 0.877 | 0.944 | 33.261 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ARG | 1 | 0.853 | 0.939 | 32.446 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | GLY | 0 | 0.006 | 0.020 | 34.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | PHE | 0 | -0.019 | 0.000 | 36.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | THR | 0 | 0.028 | 0.016 | 40.543 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PRO | 0 | 0.014 | -0.016 | 43.972 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | GLU | -1 | -0.878 | -0.939 | 47.217 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | GLU | -1 | -0.851 | -0.926 | 41.997 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | MET | 0 | -0.061 | -0.024 | 42.831 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | LYS | 1 | 0.923 | 0.966 | 45.785 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | LYS | 1 | 0.942 | 0.973 | 47.898 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | 0.046 | 0.030 | 42.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | LYS | 1 | 0.894 | 0.945 | 46.589 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | GLU | -1 | -0.842 | -0.901 | 48.860 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | VAL | 0 | 0.064 | 0.036 | 47.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | TYR | 0 | -0.012 | 0.011 | 46.829 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LYS | 1 | 0.916 | 0.952 | 49.384 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | VAL | 0 | -0.024 | -0.010 | 52.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | LEU | 0 | -0.009 | 0.000 | 47.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | TYR | 0 | -0.051 | -0.035 | 46.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ARG | 1 | 0.849 | 0.911 | 52.073 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.823 | 0.898 | 55.884 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | GLY | 0 | 0.092 | 0.066 | 58.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.057 | -0.009 | 56.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | MET | 0 | 0.035 | 0.020 | 56.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | MET | 0 | -0.020 | -0.020 | 50.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | LYS | 1 | 0.955 | 0.985 | 53.462 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLU | -1 | -0.820 | -0.927 | 55.519 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | ALA | 0 | -0.005 | -0.001 | 52.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | PHE | 0 | 0.012 | -0.013 | 47.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLU | -1 | -0.875 | -0.938 | 51.944 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ILE | 0 | -0.005 | -0.002 | 54.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ILE | 0 | -0.022 | -0.020 | 48.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LYS | 1 | 0.878 | 0.941 | 49.447 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | GLU | -1 | -0.918 | -0.948 | 50.910 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | MET | 0 | -0.017 | -0.007 | 51.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ALA | 0 | -0.042 | -0.028 | 46.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LYS | 1 | 0.852 | 0.948 | 47.893 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLU | -1 | -0.911 | -0.943 | 49.766 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | ASP | -1 | -0.904 | -0.956 | 47.557 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LYS | 1 | 1.057 | 1.005 | 41.006 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | VAL | 0 | -0.023 | -0.002 | 40.976 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | LEU | 0 | -0.026 | -0.016 | 42.396 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLU | -1 | -0.887 | -0.940 | 40.116 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | 0.020 | 0.009 | 38.867 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | PHE | 0 | -0.028 | -0.027 | 40.747 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | VAL | 0 | -0.013 | -0.010 | 43.868 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.813 | -0.886 | 38.305 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | VAL | 0 | -0.035 | -0.009 | 39.012 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ILE | 0 | -0.026 | -0.032 | 41.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | GLY | 0 | -0.033 | -0.011 | 45.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | THR | 0 | -0.056 | -0.035 | 41.193 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | SER | 0 | -0.070 | -0.035 | 42.348 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ARG | 1 | 0.962 | 0.987 | 36.144 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ARG | 1 | 0.864 | 0.924 | 40.924 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLY | 0 | -0.011 | 0.007 | 44.392 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ILE | 0 | 0.017 | 0.011 | 44.551 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | 0.010 | -0.001 | 43.197 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ARG | 1 | 0.903 | 0.947 | 46.112 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ASP | -1 | -0.758 | -0.892 | 49.106 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | PRO | 0 | -0.060 | -0.039 | 50.693 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ASN | 0 | 0.028 | 0.018 | 53.937 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | SER | 0 | 0.009 | 0.005 | 54.592 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | SER | 0 | -0.008 | -0.002 | 56.232 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | SER | 0 | 0.008 | 0.009 | 58.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | VAL | 0 | -0.049 | -0.026 | 55.499 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASP | -1 | -0.916 | -0.953 | 58.536 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LYS | 1 | 0.929 | 0.939 | 59.482 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | -0.001 | -0.006 | 61.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | ALA | 0 | 0.015 | 0.033 | 62.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | -0.035 | -0.019 | 61.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ALA | 0 | -0.060 | -0.015 | 64.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | LEU | 0 | 0.012 | 0.002 | 66.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.963 | -0.971 | 69.518 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | HIS | 0 | -0.031 | -0.016 | 70.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | HIS | 0 | -0.010 | -0.001 | 68.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |