![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 94692
Calculation Name: 3LHX-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LHX
Chain ID: A
UniProt ID: A0A0H2
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 307 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4537996.602656 |
---|---|
FMO2-HF: Nuclear repulsion | 4419289.638062 |
FMO2-HF: Total energy | -118706.964594 |
FMO2-MP2: Total energy | -119052.931347 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F031276/ligand_interaction/ligand_F031276.png)
Ligand Interaction
![ligand interaction](./Kdata/F031276/ligand_interaction/ligand_interaction_F031276.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:75:SER)
Summations of interaction energy for
fragment #1(A:75:SER)
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. |
-13.917 | -9.642 | 11.845 | -6.585 | -9.535 | -0.035 |
Interaction energy analysis for fragmet #1(A:75:SER)
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 | 77 | LYS | 1 | 0.946 | 0.984 | 3.281 | 0.244 | 1.903 | 0.224 | -0.954 | -0.930 | 0.002 |
4 | A | 78 | ILE | 0 | -0.005 | -0.007 | 5.667 | -0.271 | -0.218 | -0.001 | -0.005 | -0.047 | 0.000 |
5 | A | 79 | ALA | 0 | 0.005 | 0.007 | 8.949 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 80 | VAL | 0 | -0.050 | -0.028 | 11.674 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 81 | ILE | 0 | 0.036 | 0.020 | 14.575 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 82 | GLY | 0 | 0.034 | 0.035 | 17.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 83 | GLU | -1 | -0.835 | -0.901 | 21.065 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 84 | CYS | 0 | -0.038 | 0.002 | 21.213 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 85 | MET | 0 | -0.097 | -0.027 | 23.274 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 86 | ILE | 0 | 0.033 | 0.006 | 26.427 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 87 | GLU | -1 | -0.844 | -0.866 | 28.412 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 88 | LEU | 0 | -0.010 | 0.003 | 30.100 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 89 | SER | 0 | 0.042 | 0.032 | 32.376 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 90 | GLU | -1 | -0.895 | -0.921 | 34.914 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 91 | LYS | 1 | 0.781 | 0.867 | 36.049 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 92 | GLY | 0 | 0.117 | 0.080 | 40.468 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 93 | ALA | 0 | -0.043 | -0.024 | 43.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 94 | ASP | -1 | -0.912 | -0.940 | 39.019 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 95 | VAL | 0 | 0.013 | 0.005 | 37.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 96 | LYS | 1 | 0.906 | 0.950 | 32.232 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 97 | ARG | 1 | 0.889 | 0.925 | 29.102 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 98 | GLY | 0 | 0.000 | -0.003 | 27.752 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 99 | PHE | 0 | -0.010 | -0.020 | 20.831 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 100 | GLY | 0 | 0.064 | 0.042 | 23.948 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 101 | GLY | 0 | 0.013 | -0.004 | 23.307 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 102 | ASP | -1 | -0.785 | -0.846 | 22.026 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 103 | THR | 0 | 0.023 | 0.009 | 18.447 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 104 | LEU | 0 | -0.006 | 0.017 | 16.807 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 105 | ASN | 0 | 0.055 | 0.007 | 17.441 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 106 | THR | 0 | -0.034 | -0.019 | 15.758 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 107 | SER | 0 | 0.006 | -0.018 | 13.366 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 108 | VAL | 0 | 0.002 | 0.010 | 13.068 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 109 | TYR | 0 | -0.015 | -0.048 | 14.543 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 110 | ILE | 0 | -0.039 | 0.001 | 10.041 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 111 | ALA | 0 | 0.014 | -0.001 | 9.906 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 112 | ARG | 1 | 0.693 | 0.797 | 10.972 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 113 | GLN | 0 | -0.037 | -0.017 | 12.481 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 114 | VAL | 0 | -0.035 | 0.002 | 7.174 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 115 | ASP | -1 | -0.851 | -0.927 | 6.559 | -2.176 | -2.176 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 116 | PRO | 0 | 0.021 | 0.010 | 4.875 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 117 | ALA | 0 | -0.018 | -0.002 | 2.827 | -7.322 | -5.292 | 0.309 | -1.071 | -1.267 | -0.009 |
44 | A | 118 | ALA | 0 | -0.040 | -0.030 | 2.281 | -0.705 | -2.986 | 9.404 | -2.719 | -4.404 | -0.028 |
45 | A | 119 | LEU | 0 | -0.040 | -0.030 | 2.685 | -0.839 | -0.112 | 1.304 | -0.761 | -1.270 | -0.008 |
46 | A | 120 | THR | 0 | 0.009 | 0.012 | 2.369 | -3.366 | -1.275 | 0.606 | -1.062 | -1.635 | 0.008 |
47 | A | 121 | VAL | 0 | -0.003 | -0.008 | 4.350 | 0.791 | 0.787 | -0.001 | -0.013 | 0.018 | 0.000 |
48 | A | 122 | HIS | 0 | 0.025 | 0.012 | 5.612 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 123 | TYR | 0 | -0.006 | 0.001 | 10.344 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 124 | VAL | 0 | -0.009 | -0.002 | 14.050 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 125 | THR | 0 | 0.009 | -0.028 | 16.378 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 126 | ALA | 0 | -0.016 | -0.014 | 19.948 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 127 | LEU | 0 | -0.052 | -0.026 | 21.231 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 128 | GLY | 0 | 0.100 | 0.052 | 24.549 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 129 | THR | 0 | 0.009 | -0.006 | 25.944 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 130 | ASP | -1 | -0.718 | -0.828 | 28.063 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 131 | SER | 0 | 0.028 | -0.011 | 27.717 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 132 | PHE | 0 | 0.004 | -0.002 | 27.633 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 133 | SER | 0 | 0.003 | -0.039 | 24.508 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 134 | GLN | 0 | -0.058 | -0.031 | 22.040 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 135 | GLN | 0 | 0.069 | 0.042 | 22.942 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 136 | MET | 0 | -0.029 | 0.006 | 21.725 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 137 | LEU | 0 | 0.007 | 0.006 | 18.093 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 138 | ASP | -1 | -0.862 | -0.923 | 17.843 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 139 | ALA | 0 | -0.012 | -0.003 | 18.693 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 140 | TRP | 0 | 0.015 | -0.017 | 15.634 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 141 | HIS | 1 | 0.879 | 0.924 | 14.046 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 142 | GLY | 0 | 0.008 | 0.017 | 14.142 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 143 | GLU | -1 | -0.864 | -0.914 | 14.664 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 144 | ASN | 0 | -0.056 | -0.019 | 9.408 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 145 | VAL | 0 | -0.014 | 0.005 | 9.386 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 146 | ASP | -1 | -0.851 | -0.919 | 8.682 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 147 | THR | 0 | 0.037 | 0.005 | 10.716 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 148 | SER | 0 | -0.057 | -0.024 | 11.468 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 149 | LEU | 0 | 0.036 | 0.015 | 12.479 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 150 | THR | 0 | -0.038 | -0.016 | 15.511 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 151 | GLN | 0 | -0.024 | 0.021 | 18.044 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 152 | ARG | 1 | 0.836 | 0.925 | 21.541 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 153 | MET | 0 | -0.076 | -0.051 | 24.181 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 154 | GLU | -1 | -0.926 | -0.965 | 27.658 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 155 | ASN | 0 | -0.016 | -0.003 | 30.813 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 156 | ARG | 1 | 0.929 | 0.968 | 29.632 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 157 | LEU | 0 | 0.044 | 0.031 | 30.173 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 158 | PRO | 0 | 0.008 | 0.001 | 26.676 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 159 | GLY | 0 | 0.023 | 0.016 | 28.267 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 160 | LEU | 0 | -0.036 | -0.008 | 29.522 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 161 | TYR | 0 | -0.100 | -0.132 | 27.946 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 162 | TYR | 0 | -0.037 | -0.060 | 32.982 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 163 | ILE | 0 | -0.014 | -0.015 | 31.134 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 164 | GLU | -1 | -0.860 | -0.935 | 35.764 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 165 | THR | 0 | -0.080 | -0.039 | 37.553 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 166 | ASP | -1 | -0.771 | -0.841 | 39.974 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 167 | SER | 0 | -0.035 | -0.059 | 40.171 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 168 | THR | 0 | -0.101 | -0.069 | 36.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 169 | GLY | 0 | -0.040 | -0.018 | 38.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 170 | GLU | -1 | -0.939 | -0.978 | 40.224 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 171 | ARG | 1 | 0.921 | 0.972 | 33.898 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 172 | THR | 0 | 0.040 | 0.042 | 38.583 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 173 | PHE | 0 | -0.046 | -0.024 | 31.870 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 174 | TYR | 0 | -0.031 | -0.003 | 36.343 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 175 | TYR | 0 | 0.002 | -0.022 | 31.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 176 | TRP | 0 | 0.018 | 0.021 | 34.465 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 177 | ARG | 1 | 0.929 | 0.937 | 27.603 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 178 | ASN | 0 | -0.044 | -0.025 | 31.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 179 | GLU | -1 | -0.930 | -0.961 | 33.451 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 180 | ALA | 0 | 0.007 | 0.021 | 28.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 181 | ALA | 0 | 0.023 | 0.001 | 26.350 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 182 | ALA | 0 | 0.009 | 0.013 | 24.140 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 183 | LYS | 1 | 0.858 | 0.940 | 25.136 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 184 | PHE | 0 | -0.033 | -0.030 | 27.309 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 185 | TRP | 0 | 0.041 | 0.034 | 19.301 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 186 | LEU | 0 | 0.010 | 0.023 | 22.037 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 187 | ALA | 0 | -0.082 | -0.055 | 25.171 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 188 | SER | 0 | -0.018 | -0.039 | 24.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 189 | GLU | -1 | -0.905 | -0.967 | 27.144 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 190 | GLN | 0 | 0.012 | 0.009 | 21.814 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 191 | SER | 0 | -0.044 | -0.008 | 21.867 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 192 | ALA | 0 | 0.043 | 0.008 | 21.653 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 193 | ALA | 0 | 0.063 | 0.036 | 20.313 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 194 | ILE | 0 | -0.009 | -0.003 | 16.636 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 195 | CYS | 0 | -0.037 | -0.028 | 16.753 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 196 | GLU | -1 | -0.936 | -0.956 | 17.670 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 197 | GLU | -1 | -0.961 | -0.978 | 12.246 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 198 | LEU | 0 | -0.036 | -0.028 | 12.895 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 199 | ALA | 0 | 0.003 | -0.003 | 13.953 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 200 | ASN | 0 | -0.053 | -0.039 | 11.140 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 201 | PHE | 0 | -0.044 | -0.013 | 8.972 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 202 | ASP | -1 | -0.842 | -0.911 | 6.336 | 0.740 | 0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 203 | TYR | 0 | -0.012 | -0.014 | 7.887 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 204 | LEU | 0 | 0.045 | 0.030 | 11.446 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 205 | TYR | 0 | -0.003 | -0.005 | 14.228 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 206 | LEU | 0 | -0.006 | 0.001 | 16.208 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 207 | SER | 0 | 0.012 | -0.031 | 19.584 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 208 | GLY | 0 | 0.071 | 0.033 | 22.817 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 209 | ILE | 0 | -0.058 | -0.032 | 25.333 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 210 | SER | 0 | -0.042 | -0.057 | 21.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 211 | LEU | 0 | 0.025 | 0.016 | 24.135 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 212 | ALA | 0 | 0.008 | 0.014 | 26.581 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 213 | ILE | 0 | -0.078 | -0.023 | 25.082 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 214 | LEU | 0 | 0.001 | 0.012 | 24.441 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 215 | SER | 0 | 0.018 | 0.004 | 28.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 216 | PRO | 0 | 0.071 | 0.017 | 30.786 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 217 | THR | 0 | 0.031 | 0.014 | 31.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 218 | SER | 0 | 0.004 | -0.009 | 27.285 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 219 | ARG | 1 | 0.847 | 0.920 | 26.708 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 220 | GLU | -1 | -0.881 | -0.932 | 26.900 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 221 | LYS | 1 | 0.902 | 0.955 | 25.467 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 222 | LEU | 0 | 0.017 | 0.016 | 20.449 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 223 | LEU | 0 | 0.006 | -0.006 | 22.506 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 224 | SER | 0 | -0.036 | -0.022 | 23.925 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 225 | LEU | 0 | 0.027 | 0.028 | 17.285 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 226 | LEU | 0 | -0.036 | -0.022 | 18.946 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 227 | ARG | 1 | 0.950 | 0.969 | 19.941 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 228 | GLU | -1 | -0.942 | -0.964 | 19.866 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 229 | CYS | 0 | -0.021 | 0.015 | 14.317 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 230 | ARG | 1 | 0.854 | 0.901 | 16.289 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 231 | ALA | 0 | -0.058 | -0.016 | 18.258 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 232 | LYS | 1 | 0.896 | 0.952 | 14.616 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 233 | GLY | 0 | -0.056 | -0.010 | 14.693 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 234 | GLY | 0 | 0.029 | 0.012 | 12.719 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 235 | LYS | 1 | 0.864 | 0.918 | 13.323 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 236 | VAL | 0 | 0.028 | 0.011 | 14.848 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 237 | ILE | 0 | -0.036 | -0.026 | 13.627 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 238 | PHE | 0 | 0.036 | 0.019 | 17.939 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 239 | ASP | -1 | -0.816 | -0.900 | 21.078 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 240 | ASN | 0 | 0.004 | -0.007 | 22.735 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 241 | ASN | 0 | 0.016 | 0.018 | 25.362 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 242 | TYR | 0 | 0.030 | 0.023 | 27.355 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 243 | ARG | 1 | 0.887 | 0.926 | 29.014 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 244 | PRO | 0 | 0.051 | 0.025 | 32.565 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 245 | ARG | 1 | 0.926 | 0.955 | 35.735 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 246 | LEU | 0 | -0.050 | -0.021 | 30.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 247 | TRP | 0 | -0.016 | 0.005 | 29.533 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 248 | ALA | 0 | -0.007 | 0.007 | 35.479 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 249 | SER | 0 | -0.008 | -0.005 | 38.004 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 250 | LYS | 1 | 0.960 | 0.987 | 37.746 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 251 | GLU | -1 | -0.863 | -0.941 | 37.490 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 252 | GLU | -1 | -0.825 | -0.907 | 34.776 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 253 | THR | 0 | -0.011 | -0.017 | 32.227 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 254 | GLN | 0 | -0.052 | -0.023 | 32.875 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 255 | GLN | 0 | 0.008 | 0.009 | 33.836 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 256 | VAL | 0 | 0.011 | 0.013 | 29.056 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 257 | TYR | 0 | -0.042 | -0.056 | 28.960 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 258 | GLN | 0 | -0.073 | -0.028 | 29.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 259 | GLN | 0 | -0.016 | -0.015 | 29.327 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 260 | MET | 0 | -0.006 | 0.008 | 21.183 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 261 | LEU | 0 | -0.033 | -0.012 | 24.974 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 262 | GLU | -1 | -0.863 | -0.915 | 26.261 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 263 | CYS | 0 | -0.136 | -0.054 | 23.003 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 264 | THR | 0 | -0.019 | -0.030 | 21.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 265 | ASP | -1 | -0.821 | -0.887 | 17.946 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 266 | ILE | 0 | -0.055 | -0.034 | 15.820 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 267 | ALA | 0 | 0.039 | 0.025 | 19.858 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 268 | PHE | 0 | -0.029 | -0.029 | 17.473 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 269 | LEU | 0 | 0.002 | -0.013 | 22.992 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 270 | THR | 0 | -0.007 | -0.019 | 26.741 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 271 | LEU | 0 | 0.060 | 0.010 | 28.597 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 272 | ASP | -1 | -0.840 | -0.921 | 31.861 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 273 | ASP | -1 | -0.871 | -0.931 | 29.962 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 274 | GLU | -1 | -0.852 | -0.919 | 30.399 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 275 | ASP | -1 | -0.859 | -0.926 | 33.316 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 276 | ALA | 0 | -0.069 | -0.032 | 35.787 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 277 | LEU | 0 | -0.081 | -0.039 | 32.658 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 278 | TRP | 0 | -0.018 | -0.032 | 32.477 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 279 | GLY | 0 | -0.039 | 0.000 | 37.677 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 280 | GLN | 0 | -0.027 | -0.018 | 38.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 281 | GLN | 0 | -0.026 | -0.016 | 37.735 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 282 | PRO | 0 | 0.022 | 0.025 | 37.930 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 283 | VAL | 0 | 0.053 | 0.019 | 32.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 284 | GLU | -1 | -0.911 | -0.966 | 33.610 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 285 | ASP | -1 | -0.855 | -0.926 | 34.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 286 | VAL | 0 | -0.068 | -0.026 | 30.926 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 287 | ILE | 0 | 0.007 | 0.006 | 29.350 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 288 | ALA | 0 | 0.013 | 0.008 | 30.527 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 289 | ARG | 1 | 0.914 | 0.941 | 32.471 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 290 | THR | 0 | -0.009 | -0.012 | 26.975 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 291 | HIS | 1 | 0.759 | 0.836 | 25.967 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 292 | ASN | 0 | -0.096 | -0.040 | 28.965 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 293 | ALA | 0 | 0.001 | 0.025 | 29.284 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 294 | GLY | 0 | 0.016 | 0.007 | 27.055 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 295 | VAL | 0 | -0.018 | 0.022 | 22.951 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 296 | LYS | 1 | 0.953 | 0.982 | 20.157 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 297 | GLU | -1 | -0.791 | -0.859 | 19.060 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 298 | VAL | 0 | 0.010 | 0.008 | 22.313 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 299 | VAL | 0 | -0.015 | -0.004 | 20.510 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 300 | VAL | 0 | 0.043 | 0.022 | 23.966 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 301 | LYS | 1 | 0.805 | 0.904 | 22.729 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 302 | ARG | 1 | 0.964 | 0.960 | 27.299 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 303 | GLY | 0 | 0.031 | 0.018 | 29.741 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 304 | ALA | 0 | -0.047 | -0.028 | 30.267 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 305 | ASP | -1 | -0.917 | -0.952 | 32.753 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 306 | SER | 0 | -0.084 | -0.042 | 30.104 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 307 | CYS | 0 | -0.069 | -0.014 | 24.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 308 | LEU | 0 | 0.023 | 0.016 | 27.395 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 309 | VAL | 0 | 0.004 | -0.004 | 22.044 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 310 | SER | 0 | 0.029 | 0.039 | 25.216 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 311 | ILE | 0 | 0.040 | 0.015 | 21.202 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 312 | ALA | 0 | -0.005 | -0.001 | 24.584 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 313 | GLY | 0 | -0.023 | -0.027 | 26.018 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 314 | GLU | -1 | -0.975 | -0.980 | 23.540 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 315 | ALA | 0 | -0.032 | -0.014 | 27.972 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 316 | LEU | 0 | -0.035 | -0.018 | 28.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 317 | VAL | 0 | -0.007 | 0.002 | 24.432 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 318 | ASP | -1 | -0.851 | -0.908 | 27.555 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 319 | VAL | 0 | 0.019 | 0.002 | 24.708 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 320 | PRO | 0 | 0.022 | 0.019 | 27.818 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 321 | ALA | 0 | 0.033 | 0.025 | 27.834 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 322 | VAL | 0 | -0.007 | -0.011 | 28.072 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 323 | LYS | 1 | 0.959 | 0.975 | 30.284 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 324 | LEU | 0 | 0.047 | 0.020 | 30.356 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 325 | PRO | 0 | -0.051 | -0.017 | 33.695 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 326 | LYS | 1 | 1.017 | 0.991 | 36.258 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 327 | GLU | -1 | -0.913 | -0.957 | 37.477 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 328 | LYS | 1 | 0.913 | 0.957 | 33.555 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 329 | VAL | 0 | -0.028 | -0.011 | 32.553 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 330 | ILE | 0 | -0.029 | 0.005 | 32.866 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 331 | ASP | -1 | -0.803 | -0.891 | 30.912 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 332 | THR | 0 | -0.025 | -0.005 | 30.263 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 333 | THR | 0 | -0.041 | -0.054 | 27.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 334 | ALA | 0 | 0.011 | 0.009 | 23.598 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 335 | ALA | 0 | 0.020 | 0.026 | 24.060 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 336 | GLY | 0 | -0.005 | -0.007 | 24.251 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 337 | ASP | -1 | -0.808 | -0.924 | 21.186 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 338 | SER | 0 | -0.028 | -0.019 | 19.791 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 339 | PHE | 0 | 0.009 | 0.000 | 19.521 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 340 | SER | 0 | 0.008 | -0.008 | 18.645 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 341 | ALA | 0 | 0.024 | 0.023 | 15.498 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 342 | GLY | 0 | -0.004 | 0.003 | 14.737 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 343 | TYR | 0 | -0.037 | -0.057 | 15.781 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 344 | LEU | 0 | -0.006 | -0.008 | 12.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 345 | ALA | 0 | 0.031 | 0.022 | 10.924 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 346 | VAL | 0 | -0.015 | 0.007 | 10.875 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 347 | ARG | 1 | 0.774 | 0.870 | 12.672 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 348 | LEU | 0 | -0.066 | -0.034 | 9.085 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 349 | THR | 0 | -0.054 | -0.032 | 6.941 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 350 | GLY | 0 | -0.001 | 0.009 | 9.169 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 351 | GLY | 0 | 0.000 | 0.014 | 11.981 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 352 | SER | 0 | 0.008 | -0.007 | 15.039 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 353 | ALA | 0 | 0.081 | 0.033 | 18.356 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 354 | GLU | -1 | -0.871 | -0.934 | 20.210 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 355 | ASN | 0 | -0.019 | -0.034 | 18.486 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 356 | ALA | 0 | -0.016 | 0.010 | 16.851 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 357 | ALA | 0 | 0.053 | 0.016 | 18.114 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 358 | LYS | 1 | 0.918 | 0.970 | 21.633 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 359 | ARG | 1 | 0.925 | 0.977 | 14.042 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 360 | GLY | 0 | 0.034 | 0.023 | 19.590 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 361 | HIS | 0 | 0.011 | -0.018 | 20.571 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 362 | LEU | 0 | -0.028 | -0.006 | 20.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 363 | THR | 0 | -0.011 | -0.010 | 19.056 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 364 | ALA | 0 | 0.035 | 0.019 | 21.452 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 365 | SER | 0 | -0.025 | -0.025 | 24.226 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 366 | THR | 0 | -0.035 | -0.007 | 23.784 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 367 | VAL | 0 | 0.015 | 0.002 | 22.414 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 368 | ILE | 0 | 0.003 | 0.010 | 25.460 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 369 | GLN | 0 | -0.091 | -0.058 | 28.677 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 370 | TYR | 0 | -0.044 | -0.022 | 27.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 371 | ARG | 1 | 0.941 | 0.970 | 29.619 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 372 | GLY | 0 | 0.003 | 0.005 | 28.264 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 373 | ALA | 0 | 0.034 | 0.013 | 24.332 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 374 | ILE | 0 | -0.020 | 0.020 | 20.189 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 375 | ILE | 0 | 0.027 | 0.023 | 22.473 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 376 | PRO | 0 | 0.034 | 0.005 | 22.426 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 377 | ARG | 1 | 0.947 | 0.968 | 17.668 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 378 | GLU | -1 | -0.919 | -0.964 | 20.796 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 379 | ALA | 0 | -0.041 | -0.018 | 23.446 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 380 | MET | 0 | -0.048 | 0.007 | 17.387 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 381 | PRO | 0 | -0.017 | 0.003 | 19.803 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |