![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: QV8JY
Calculation Name: 3UCA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3UCA
Chain ID: A
UniProt ID: Q8XJE0
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 | 274 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3812780.563537 |
---|---|
FMO2-HF: Nuclear repulsion | 3703777.36001 |
FMO2-HF: Total energy | -109003.203527 |
FMO2-MP2: Total energy | -109315.398533 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F032409/ligand_interaction/ligand_F032409.png)
Ligand Interaction
![ligand interaction](./Kdata/F032409/ligand_interaction/ligand_interaction_F032409.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:11:ALA)
Summations of interaction energy for
fragment #1(A:11:ALA)
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. |
1.616 | 2.822 | -0.011 | -0.451 | -0.742 | 0.001 |
Interaction energy analysis for fragmet #1(A:11:ALA)
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 | 13 | ASN | 0 | 0.057 | 0.018 | 3.821 | 0.283 | 1.451 | -0.010 | -0.448 | -0.709 | 0.001 |
4 | A | 14 | ILE | 0 | 0.039 | 0.021 | 6.146 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 15 | ASN | 0 | -0.070 | -0.038 | 9.827 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 16 | SER | 0 | 0.007 | 0.006 | 6.802 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 17 | LEU | 0 | 0.032 | 0.005 | 8.749 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 18 | LYS | 1 | 0.893 | 0.942 | 10.199 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 19 | GLU | -1 | -0.909 | -0.945 | 11.632 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 20 | GLU | -1 | -0.749 | -0.836 | 9.407 | -0.705 | -0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 21 | VAL | 0 | 0.002 | -0.001 | 12.608 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 22 | ASP | -1 | -0.810 | -0.891 | 15.629 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 23 | GLN | 0 | -0.035 | -0.020 | 15.291 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 24 | SER | 0 | 0.001 | -0.005 | 15.444 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 25 | LEU | 0 | 0.029 | 0.006 | 18.025 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 26 | LYS | 1 | 0.872 | 0.933 | 20.296 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 27 | ALA | 0 | -0.004 | -0.002 | 20.312 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 28 | TYR | 0 | -0.048 | -0.042 | 22.070 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 29 | PHE | 0 | 0.036 | -0.011 | 23.867 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 30 | ASN | 0 | -0.072 | -0.007 | 25.497 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 31 | LYS | 1 | 0.820 | 0.924 | 26.518 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 32 | ASP | -1 | -0.880 | -0.934 | 29.565 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 33 | ARG | 1 | 0.801 | 0.887 | 32.154 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 34 | GLU | -1 | -0.858 | -0.908 | 35.907 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 35 | TYR | 0 | -0.023 | -0.025 | 39.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 36 | ASN | 0 | -0.007 | -0.007 | 37.193 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 37 | LYS | 1 | 0.908 | 0.943 | 32.073 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 38 | VAL | 0 | 0.083 | 0.031 | 35.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 39 | LEU | 0 | 0.010 | 0.023 | 35.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 40 | TYR | 0 | 0.007 | -0.016 | 30.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 41 | ASP | -1 | -0.841 | -0.912 | 31.560 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 42 | SER | 0 | 0.016 | 0.022 | 32.285 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 43 | MET | 0 | -0.032 | -0.012 | 30.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 44 | ALA | 0 | 0.004 | 0.002 | 27.816 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 45 | TYR | 0 | -0.048 | -0.032 | 27.573 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 46 | SER | 0 | 0.067 | 0.024 | 28.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 47 | ILE | 0 | -0.019 | 0.019 | 23.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 48 | ASN | 0 | -0.044 | -0.037 | 23.459 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 49 | VAL | 0 | -0.004 | 0.035 | 24.042 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 50 | GLY | 0 | -0.014 | -0.018 | 22.739 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 51 | GLY | 0 | 0.049 | 0.022 | 22.047 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 52 | LYS | 1 | 0.809 | 0.889 | 19.084 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 53 | ARG | 1 | 0.804 | 0.889 | 17.067 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 54 | ILE | 0 | 0.028 | 0.004 | 17.765 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 55 | ARG | 1 | 0.997 | 1.011 | 18.475 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 56 | PRO | 0 | 0.028 | 0.027 | 17.466 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 57 | ILE | 0 | -0.009 | -0.006 | 12.760 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 58 | LEU | 0 | 0.015 | 0.006 | 14.534 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 59 | MET | 0 | -0.028 | 0.029 | 16.414 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 60 | LEU | 0 | -0.003 | -0.006 | 12.196 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 61 | LEU | 0 | -0.023 | -0.026 | 9.782 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 62 | SER | 0 | 0.004 | -0.004 | 12.540 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 63 | TYR | 0 | -0.052 | -0.044 | 12.747 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 64 | TYR | 0 | -0.021 | -0.022 | 4.704 | 0.439 | 0.477 | -0.001 | -0.003 | -0.033 | 0.000 |
55 | A | 65 | ILE | 0 | -0.067 | -0.001 | 10.765 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 66 | TYR | 0 | -0.092 | -0.076 | 13.036 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 67 | LYS | 1 | 0.869 | 0.951 | 12.687 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 68 | SER | 0 | 0.042 | 0.010 | 7.586 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 69 | ASP | -1 | -0.876 | -0.928 | 8.723 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 70 | TYR | 0 | 0.035 | -0.025 | 6.771 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 71 | LYS | 1 | 0.800 | 0.880 | 8.058 | 0.843 | 0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 72 | LYS | 1 | 0.838 | 0.919 | 12.674 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 73 | ILE | 0 | -0.011 | 0.003 | 15.237 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 74 | LEU | 0 | 0.018 | 0.001 | 12.794 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 75 | THR | 0 | -0.008 | 0.009 | 16.704 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 76 | PRO | 0 | 0.049 | 0.027 | 19.805 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 77 | ALA | 0 | 0.002 | 0.003 | 17.454 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 78 | MET | 0 | -0.028 | -0.018 | 19.043 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 79 | ALA | 0 | 0.038 | 0.034 | 21.099 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 80 | ILE | 0 | 0.010 | 0.001 | 21.467 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 81 | GLU | -1 | -0.835 | -0.929 | 21.321 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 82 | MET | 0 | -0.058 | -0.012 | 23.442 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 83 | ILE | 0 | 0.024 | 0.018 | 26.401 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 84 | HIS | 0 | 0.014 | 0.004 | 24.806 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 85 | THR | 0 | -0.048 | -0.036 | 25.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 86 | TYR | 0 | -0.006 | -0.009 | 28.399 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 87 | SER | 0 | -0.032 | -0.021 | 30.250 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 88 | LEU | 0 | -0.007 | 0.003 | 27.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 89 | ILE | 0 | -0.046 | -0.010 | 31.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 90 | HIS | 0 | -0.020 | -0.028 | 34.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 91 | ASP | -1 | -0.778 | -0.883 | 34.755 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 92 | ASP | -1 | -0.820 | -0.892 | 34.215 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 93 | LEU | 0 | -0.031 | -0.011 | 37.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 94 | PRO | 0 | -0.006 | -0.006 | 40.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 95 | CYS | 0 | -0.101 | -0.040 | 43.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 96 | MET | 0 | -0.047 | -0.034 | 40.080 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 97 | ASP | -1 | -0.827 | -0.902 | 36.745 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 98 | ASN | 0 | -0.116 | -0.041 | 40.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 99 | ASP | -1 | -0.797 | -0.871 | 35.835 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 100 | ASP | -1 | -0.847 | -0.906 | 38.082 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 101 | LEU | 0 | -0.057 | -0.044 | 34.567 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 102 | ARG | 1 | 0.890 | 0.912 | 29.589 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 103 | ARG | 1 | 0.864 | 0.921 | 24.017 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 104 | GLY | 0 | 0.004 | -0.004 | 29.327 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 105 | LYS | 1 | 0.839 | 0.924 | 25.937 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 106 | PRO | 0 | 0.055 | 0.032 | 32.139 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 107 | THR | 0 | 0.019 | 0.006 | 33.568 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 108 | ASN | 0 | -0.005 | -0.029 | 33.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 109 | HIS | 0 | 0.094 | 0.043 | 35.467 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 110 | LYS | 1 | 0.778 | 0.907 | 38.239 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 111 | VAL | 0 | -0.057 | -0.020 | 35.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 112 | PHE | 0 | -0.045 | -0.028 | 34.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 113 | GLY | 0 | 0.036 | 0.023 | 39.615 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 114 | GLU | -1 | -0.865 | -0.966 | 41.102 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 115 | ALA | 0 | -0.018 | 0.003 | 41.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 116 | ILE | 0 | -0.005 | -0.012 | 38.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 117 | ALA | 0 | 0.025 | 0.029 | 37.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 118 | VAL | 0 | 0.060 | 0.032 | 37.500 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 119 | LEU | 0 | 0.000 | -0.003 | 38.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 120 | ALA | 0 | -0.013 | -0.015 | 34.312 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 121 | GLY | 0 | 0.031 | 0.011 | 33.935 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 122 | ASP | -1 | -0.854 | -0.932 | 34.322 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 123 | ALA | 0 | -0.058 | -0.039 | 34.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 124 | LEU | 0 | 0.004 | -0.008 | 28.472 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 125 | LEU | 0 | 0.007 | 0.027 | 30.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 126 | ASN | 0 | -0.043 | -0.038 | 31.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 127 | GLU | -1 | -0.767 | -0.852 | 28.687 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 128 | ALA | 0 | 0.001 | -0.003 | 27.465 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 129 | MET | 0 | -0.032 | -0.016 | 28.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 130 | LYS | 1 | 0.880 | 0.928 | 30.739 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 131 | ILE | 0 | 0.014 | 0.010 | 24.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 132 | LEU | 0 | 0.004 | 0.003 | 24.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 133 | VAL | 0 | -0.030 | -0.005 | 27.332 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 134 | ASP | -1 | -0.882 | -0.946 | 28.123 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 135 | TYR | 0 | -0.014 | -0.027 | 19.500 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 136 | SER | 0 | -0.053 | -0.052 | 25.878 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 137 | LEU | 0 | -0.100 | -0.042 | 28.021 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 138 | GLU | -1 | -0.956 | -0.967 | 25.463 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 139 | GLU | -1 | -0.828 | -0.897 | 21.269 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 140 | GLY | 0 | 0.001 | 0.020 | 25.505 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 141 | LYS | 1 | 0.925 | 0.935 | 28.042 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 142 | SER | 0 | -0.015 | -0.028 | 23.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 143 | ALA | 0 | 0.098 | 0.049 | 24.287 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 144 | LEU | 0 | 0.016 | 0.032 | 25.430 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 145 | LYS | 1 | 0.919 | 0.946 | 27.563 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 146 | ALA | 0 | -0.004 | 0.002 | 23.841 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 147 | THR | 0 | 0.022 | 0.003 | 25.861 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 148 | LYS | 1 | 0.825 | 0.887 | 28.061 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 149 | ILE | 0 | -0.024 | -0.001 | 26.044 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 150 | ILE | 0 | -0.003 | -0.009 | 23.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 151 | ALA | 0 | 0.005 | -0.006 | 27.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 152 | ASP | -1 | -0.856 | -0.901 | 31.512 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 153 | ALA | 0 | -0.034 | -0.012 | 29.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 154 | ALA | 0 | 0.006 | 0.004 | 30.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 155 | GLY | 0 | 0.055 | 0.030 | 32.008 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 156 | SER | 0 | -0.012 | -0.025 | 35.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 157 | ASP | -1 | -0.894 | -0.926 | 37.867 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 158 | GLY | 0 | -0.038 | -0.033 | 33.960 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 159 | MET | 0 | 0.000 | 0.011 | 31.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 160 | ILE | 0 | -0.023 | -0.013 | 33.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 161 | GLY | 0 | 0.044 | 0.030 | 37.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 162 | GLY | 0 | -0.023 | -0.037 | 36.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 163 | GLN | 0 | -0.033 | -0.018 | 34.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 164 | ILE | 0 | -0.014 | 0.012 | 38.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 165 | VAL | 0 | -0.042 | -0.021 | 40.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 166 | ASP | -1 | -0.852 | -0.961 | 37.888 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 167 | ILE | 0 | 0.021 | 0.006 | 41.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 168 | ILE | 0 | -0.104 | -0.058 | 43.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 169 | ASN | 0 | -0.010 | -0.010 | 43.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 170 | GLU | -1 | -0.903 | -0.922 | 44.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 171 | ASP | -1 | -1.002 | -1.014 | 46.180 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 172 | LYS | 1 | 0.747 | 0.864 | 47.443 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 173 | GLU | -1 | -0.919 | -0.956 | 48.090 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 174 | GLU | -1 | -1.003 | -0.998 | 48.537 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 175 | ILE | 0 | 0.017 | 0.012 | 43.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 176 | SER | 0 | -0.033 | -0.010 | 45.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 177 | LEU | 0 | 0.071 | 0.023 | 40.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 178 | LYS | 1 | 0.898 | 0.946 | 41.519 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 179 | GLU | -1 | -0.798 | -0.884 | 41.684 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 180 | LEU | 0 | 0.043 | 0.038 | 38.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 181 | ASP | -1 | -0.852 | -0.919 | 37.304 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 182 | TYR | 0 | -0.065 | -0.026 | 36.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 183 | MET | 0 | 0.015 | 0.035 | 37.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 184 | HIS | 0 | 0.070 | 0.023 | 33.742 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 185 | LEU | 0 | -0.057 | -0.024 | 31.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 186 | LYS | 1 | 0.761 | 0.869 | 32.499 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 187 | LYS | 1 | 0.864 | 0.961 | 33.229 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 188 | THR | 0 | -0.013 | -0.017 | 28.801 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 189 | GLY | 0 | 0.023 | 0.009 | 28.364 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 190 | GLU | -1 | -0.802 | -0.882 | 28.110 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 191 | LEU | 0 | 0.068 | 0.026 | 25.926 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 192 | ILE | 0 | -0.039 | 0.001 | 23.071 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 193 | LYS | 1 | 0.879 | 0.924 | 23.190 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 194 | ALA | 0 | 0.034 | 0.017 | 24.221 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 195 | SER | 0 | -0.033 | -0.012 | 20.423 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 196 | ILE | 0 | -0.020 | 0.006 | 19.403 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 197 | MET | 0 | -0.043 | -0.006 | 20.308 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 198 | SER | 0 | -0.002 | -0.019 | 22.288 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 199 | GLY | 0 | 0.041 | 0.019 | 18.133 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 200 | ALA | 0 | 0.016 | -0.001 | 18.416 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 201 | VAL | 0 | -0.038 | -0.026 | 19.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 202 | LEU | 0 | -0.003 | -0.004 | 19.405 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 203 | ALA | 0 | -0.052 | -0.016 | 16.776 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 204 | GLU | -1 | -0.912 | -0.936 | 18.501 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 205 | ALA | 0 | 0.003 | 0.015 | 19.954 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 206 | SER | 0 | -0.008 | -0.009 | 21.412 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 207 | GLU | -1 | -0.882 | -0.952 | 24.561 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 208 | GLY | 0 | 0.001 | 0.001 | 26.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 209 | ASP | -1 | -0.793 | -0.891 | 20.626 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 210 | ILE | 0 | 0.010 | 0.010 | 23.330 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 211 | LYS | 1 | 0.938 | 0.971 | 24.865 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 212 | LYS | 1 | 0.811 | 0.903 | 22.877 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 213 | LEU | 0 | 0.006 | -0.019 | 18.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 214 | GLU | -1 | -0.862 | -0.930 | 23.036 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 215 | GLY | 0 | -0.035 | -0.009 | 26.387 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 216 | PHE | 0 | 0.017 | -0.002 | 18.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 217 | GLY | 0 | 0.037 | 0.002 | 23.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 218 | TYR | 0 | -0.046 | -0.024 | 24.400 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 219 | LYS | 1 | 0.821 | 0.893 | 25.986 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 220 | LEU | 0 | 0.033 | 0.012 | 20.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 221 | GLY | 0 | -0.020 | -0.011 | 24.591 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 222 | LEU | 0 | 0.022 | 0.012 | 26.984 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 223 | ALA | 0 | 0.011 | 0.003 | 25.743 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 224 | PHE | 0 | -0.072 | -0.038 | 22.900 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 225 | GLN | 0 | 0.017 | 0.002 | 26.834 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 226 | ILE | 0 | 0.031 | 0.013 | 30.516 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 227 | LYS | 1 | 0.833 | 0.911 | 25.070 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 228 | ASP | -1 | -0.811 | -0.898 | 28.348 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 229 | ASP | -1 | -0.760 | -0.872 | 30.448 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 230 | ILE | 0 | -0.088 | -0.048 | 30.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 231 | LEU | 0 | -0.151 | -0.085 | 26.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 232 | ASP | -1 | -0.856 | -0.918 | 31.351 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 233 | VAL | 0 | -0.084 | -0.029 | 34.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 234 | VAL | 0 | -0.085 | -0.037 | 33.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 235 | GLY | 0 | -0.028 | -0.001 | 33.951 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 253 | ASN | 0 | 0.064 | 0.010 | 40.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 254 | ASN | 0 | 0.041 | 0.013 | 37.836 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 255 | TYR | 0 | 0.004 | -0.025 | 34.410 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 256 | ILE | 0 | -0.037 | -0.035 | 35.157 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 257 | THR | 0 | 0.029 | 0.017 | 38.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 258 | ILE | 0 | -0.026 | 0.000 | 41.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 259 | PHE | 0 | -0.050 | -0.039 | 37.933 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 260 | GLY | 0 | 0.051 | 0.036 | 40.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 261 | LEU | 0 | 0.031 | 0.002 | 34.544 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 262 | GLU | -1 | -0.810 | -0.890 | 35.578 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 263 | GLU | -1 | -0.778 | -0.882 | 35.504 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 264 | CYS | 0 | -0.026 | 0.019 | 34.158 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 265 | LYS | 1 | 0.855 | 0.895 | 31.296 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 266 | LYS | 1 | 0.864 | 0.927 | 30.526 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 267 | LYS | 1 | 0.873 | 0.932 | 31.361 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 268 | CYS | 0 | -0.004 | 0.014 | 27.674 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 269 | VAL | 0 | 0.019 | 0.020 | 26.444 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 270 | ASN | 0 | -0.007 | -0.009 | 26.656 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 271 | ILE | 0 | 0.025 | 0.022 | 26.910 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 272 | THR | 0 | -0.008 | -0.021 | 21.984 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 273 | GLU | -1 | -0.921 | -0.960 | 23.053 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 274 | GLU | -1 | -0.770 | -0.857 | 24.196 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 275 | CYS | 0 | -0.128 | -0.063 | 21.882 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 276 | ILE | 0 | 0.031 | -0.003 | 18.046 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 277 | GLU | -1 | -0.908 | -0.942 | 20.308 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 278 | ILE | 0 | -0.013 | -0.008 | 22.429 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 279 | LEU | 0 | -0.003 | 0.011 | 16.418 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 280 | SER | 0 | -0.049 | -0.039 | 18.496 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 281 | SER | 0 | -0.084 | -0.027 | 19.595 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 282 | ILE | 0 | -0.036 | -0.011 | 17.639 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 283 | LYS | 1 | 0.946 | 0.975 | 17.809 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 284 | GLY | 0 | 0.026 | 0.010 | 14.415 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 285 | ASN | 0 | -0.018 | -0.014 | 7.212 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 286 | THR | 0 | 0.061 | 0.022 | 11.190 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 287 | GLU | -1 | -0.924 | -0.958 | 7.997 | 1.727 | 1.727 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 288 | PRO | 0 | 0.040 | 0.025 | 7.480 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 289 | LEU | 0 | 0.023 | 0.006 | 10.131 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 290 | LYS | 1 | 0.933 | 0.977 | 13.649 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 291 | VAL | 0 | -0.001 | 0.004 | 10.435 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 292 | LEU | 0 | -0.034 | -0.025 | 13.411 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 293 | THR | 0 | -0.005 | -0.021 | 15.014 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 294 | MET | 0 | 0.040 | 0.026 | 16.768 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 295 | LYS | 1 | 0.908 | 0.951 | 11.725 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 296 | LEU | 0 | -0.055 | -0.034 | 17.687 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 297 | LEU | 0 | 0.040 | 0.037 | 20.519 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 298 | GLU | -1 | -0.884 | -0.937 | 20.471 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 299 | ARG | 1 | 0.667 | 0.839 | 21.316 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 300 | LYS | 1 | 0.993 | 0.972 | 22.248 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 301 | PHE | 0 | 0.124 | 0.092 | 22.056 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |