![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JL4Z9
Calculation Name: 1ORJ-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1ORJ
Chain ID: A
UniProt ID: O67806
Base Structure: X-ray
Registration Date: 2023-06-22
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 | OptAll |
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 | 126 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -1150683.529176 |
---|---|
FMO2-HF: Nuclear repulsion | 1099002.833551 |
FMO2-HF: Total energy | -51680.695625 |
FMO2-MP2: Total energy | -51834.318221 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026764/ligand_interaction/ligand_F026764.png)
Ligand Interaction
![ligand interaction](./Kdata/F026764/ligand_interaction/ligand_interaction_F026764.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:1002:ARG)
Summations of interaction energy for
fragment #1(A:1002:ARG)
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. |
-164.648 | -164.24 | 19.317 | -9.289 | -10.434 | -0.098 |
Interaction energy analysis for fragmet #1(A:1002:ARG)
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 | 1004 | ILE | 0 | 0.092 | 0.045 | 3.903 | -2.935 | -0.931 | -0.009 | -0.943 | -1.052 | 0.002 |
4 | A | 1005 | ALA | 0 | 0.043 | 0.023 | 5.868 | 2.267 | 2.267 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 1006 | GLU | -1 | -0.795 | -0.886 | 4.625 | -32.319 | -32.152 | -0.001 | -0.006 | -0.159 | 0.000 |
6 | A | 1007 | ALA | 0 | -0.047 | -0.008 | 7.143 | 1.336 | 1.336 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 1008 | TYR | 0 | 0.014 | 0.021 | 8.620 | 1.689 | 1.689 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 1009 | PHE | 0 | -0.014 | -0.001 | 10.549 | 1.824 | 1.824 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 1010 | GLN | 0 | 0.000 | 0.006 | 10.338 | -2.085 | -2.085 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 1011 | ASN | 0 | -0.049 | -0.050 | 7.543 | 2.752 | 2.752 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 1012 | MET | 0 | -0.023 | 0.000 | 10.306 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 1013 | VAL | 0 | -0.026 | -0.015 | 13.689 | 1.451 | 1.451 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 1014 | GLU | -1 | -0.807 | -0.878 | 14.911 | -15.493 | -15.493 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 1015 | THR | 0 | -0.063 | -0.039 | 17.459 | 0.534 | 0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 1016 | ALA | 0 | 0.056 | 0.029 | 17.738 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 1017 | THR | 0 | 0.014 | 0.016 | 18.689 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 1018 | PRO | 0 | -0.009 | -0.016 | 17.115 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 1019 | LEU | 0 | 0.020 | 0.019 | 13.064 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 1020 | GLU | -1 | -0.812 | -0.908 | 16.235 | -13.452 | -13.452 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 1021 | GLN | 0 | -0.002 | -0.004 | 19.455 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 1022 | ILE | 0 | -0.029 | -0.001 | 13.935 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 1023 | ILE | 0 | -0.001 | 0.003 | 15.395 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 1024 | LEU | 0 | 0.033 | 0.014 | 17.617 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 1025 | LEU | 0 | -0.029 | -0.005 | 19.439 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 1026 | TYR | 0 | 0.020 | -0.016 | 12.905 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 1027 | ASP | -1 | -0.835 | -0.897 | 18.569 | -12.998 | -12.998 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 1028 | LYS | 1 | 0.768 | 0.862 | 21.255 | 11.106 | 11.106 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 1029 | ALA | 0 | 0.014 | 0.011 | 20.558 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 1030 | ILE | 0 | -0.007 | -0.011 | 17.639 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 1031 | GLU | -1 | -0.779 | -0.857 | 21.969 | -9.975 | -9.975 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 1032 | CYS | 0 | -0.054 | -0.030 | 25.591 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 1033 | LEU | 0 | 0.020 | 0.010 | 21.899 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 1034 | GLU | -1 | -0.836 | -0.927 | 23.978 | -11.184 | -11.184 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 1035 | ARG | 1 | 0.766 | 0.848 | 26.657 | 8.836 | 8.836 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 1036 | ALA | 0 | 0.005 | -0.005 | 28.165 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 1037 | ILE | 0 | -0.021 | -0.023 | 24.880 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 1038 | GLU | -1 | -0.912 | -0.931 | 29.420 | -8.498 | -8.498 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 1039 | ILE | 0 | -0.006 | -0.006 | 32.110 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 1040 | TYR | 0 | -0.025 | -0.019 | 31.091 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 1041 | ASP | -1 | -0.868 | -0.929 | 33.842 | -8.472 | -8.472 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 1042 | GLN | 0 | -0.027 | -0.020 | 36.326 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 1043 | VAL | 0 | 0.018 | 0.029 | 35.654 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 1044 | ASN | 0 | 0.008 | 0.008 | 38.922 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 1045 | GLU | -1 | -0.840 | -0.906 | 42.033 | -6.914 | -6.914 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 1046 | LEU | 0 | -0.008 | -0.012 | 41.725 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 1047 | GLU | -1 | -0.807 | -0.899 | 41.850 | -7.067 | -7.067 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 1048 | LYS | 1 | 0.856 | 0.924 | 38.213 | 7.183 | 7.183 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 1049 | ARG | 1 | 0.853 | 0.913 | 37.205 | 7.080 | 7.080 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 1050 | LYS | 1 | 0.836 | 0.909 | 37.210 | 6.970 | 6.970 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 1051 | GLU | -1 | -0.726 | -0.825 | 34.490 | -8.639 | -8.639 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 1052 | PHE | 0 | -0.006 | -0.006 | 30.868 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 1053 | VAL | 0 | -0.022 | -0.010 | 32.191 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 1054 | GLU | -1 | -0.828 | -0.901 | 32.276 | -8.517 | -8.517 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 1055 | ASN | 0 | -0.046 | -0.023 | 29.709 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 1056 | ILE | 0 | 0.008 | 0.003 | 27.638 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 1057 | ASP | -1 | -0.904 | -0.949 | 27.496 | -9.936 | -9.936 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 1058 | ARG | 1 | 0.801 | 0.877 | 27.888 | 8.788 | 8.788 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 1059 | VAL | 0 | -0.015 | -0.005 | 22.508 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 1060 | TYR | 0 | -0.006 | -0.004 | 23.351 | -0.720 | -0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 1061 | ASP | -1 | -0.851 | -0.927 | 23.908 | -11.286 | -11.286 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 1062 | ILE | 0 | -0.048 | -0.015 | 20.988 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 1063 | ILE | 0 | -0.008 | -0.011 | 18.013 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 1064 | SER | 0 | -0.009 | -0.012 | 19.420 | -0.775 | -0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 1065 | ALA | 0 | -0.048 | 0.002 | 20.912 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 1066 | LEU | 0 | -0.005 | -0.003 | 16.209 | -0.600 | -0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 1067 | LYS | 1 | 0.835 | 0.903 | 15.907 | 16.274 | 16.274 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 1068 | SER | 0 | -0.078 | -0.064 | 16.771 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 1069 | PHE | 0 | -0.028 | -0.019 | 16.985 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 1070 | LEU | 0 | -0.067 | -0.009 | 11.085 | -0.898 | -0.898 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 1071 | ASP | -1 | -0.758 | -0.874 | 11.392 | -21.214 | -21.214 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 1072 | HIS | 0 | -0.079 | -0.066 | 11.316 | -2.193 | -2.193 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 1073 | GLU | -1 | -0.874 | -0.909 | 12.696 | -18.622 | -18.622 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 1074 | LYS | 1 | 0.751 | 0.852 | 11.130 | 18.824 | 18.824 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 1075 | GLY | 0 | 0.089 | 0.051 | 8.443 | -2.347 | -2.347 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 1076 | LYS | 1 | 0.736 | 0.858 | 4.708 | 31.323 | 31.451 | -0.001 | -0.004 | -0.123 | 0.000 |
76 | A | 1077 | GLU | -1 | -0.784 | -0.902 | 1.704 | -106.093 | -108.301 | 16.382 | -7.675 | -6.499 | -0.095 |
77 | A | 1078 | ILE | 0 | -0.062 | -0.017 | 2.389 | 0.227 | 0.524 | 2.947 | -0.659 | -2.585 | -0.005 |
78 | A | 1079 | ALA | 0 | 0.088 | 0.049 | 5.251 | 4.052 | 4.072 | -0.001 | -0.002 | -0.016 | 0.000 |
79 | A | 1080 | LYS | 1 | 0.865 | 0.935 | 8.801 | 24.564 | 24.564 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 1081 | ASN | 0 | -0.011 | -0.011 | 5.580 | 6.097 | 6.097 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 1082 | LEU | 0 | 0.064 | 0.031 | 7.732 | 2.387 | 2.387 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 1083 | ASP | -1 | -0.774 | -0.847 | 10.675 | -17.364 | -17.364 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 1084 | THR | 0 | -0.059 | -0.030 | 12.263 | 2.374 | 2.374 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 1085 | ILE | 0 | 0.020 | 0.008 | 9.801 | 1.504 | 1.504 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 1086 | TYR | 0 | 0.067 | 0.029 | 13.737 | 1.250 | 1.250 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 1087 | THR | 0 | -0.053 | -0.033 | 16.371 | 1.299 | 1.299 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 1088 | ILE | 0 | -0.026 | -0.006 | 15.750 | 0.944 | 0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 1089 | ILE | 0 | 0.022 | 0.024 | 16.092 | 0.905 | 0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 1090 | LEU | 0 | 0.010 | 0.007 | 19.800 | 0.734 | 0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 1091 | ASN | 0 | -0.005 | -0.014 | 22.125 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 1092 | THR | 0 | -0.044 | -0.031 | 22.042 | 0.613 | 0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 1093 | LEU | 0 | 0.003 | 0.000 | 22.657 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 1094 | VAL | 0 | 0.005 | 0.014 | 25.902 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 1095 | LYS | 1 | 0.749 | 0.880 | 26.788 | 11.133 | 11.133 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 1096 | VAL | 0 | -0.005 | -0.013 | 29.526 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 1097 | ASP | -1 | -0.881 | -0.930 | 31.137 | -9.655 | -9.655 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 1098 | LYS | 1 | 0.800 | 0.912 | 28.239 | 10.068 | 10.068 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 1099 | THR | 0 | 0.008 | -0.017 | 28.253 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 1100 | LYS | 1 | 0.824 | 0.893 | 28.406 | 8.857 | 8.857 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 1101 | GLU | -1 | -0.812 | -0.878 | 25.763 | -11.450 | -11.450 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 1102 | GLU | -1 | -0.776 | -0.881 | 23.738 | -11.670 | -11.670 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 1103 | LEU | 0 | 0.026 | 0.014 | 22.798 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 1104 | GLN | 0 | 0.023 | -0.004 | 22.992 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 1105 | LYS | 1 | 0.838 | 0.907 | 19.947 | 11.950 | 11.950 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 1106 | ILE | 0 | 0.004 | 0.005 | 18.576 | -0.719 | -0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 1107 | LEU | 0 | -0.030 | 0.001 | 18.301 | -0.579 | -0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 1108 | GLU | -1 | -0.842 | -0.923 | 17.727 | -13.417 | -13.417 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 1109 | ILE | 0 | -0.014 | 0.008 | 13.192 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 1110 | LEU | 0 | -0.021 | -0.012 | 13.822 | -0.918 | -0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 1111 | LYS | 1 | 0.795 | 0.887 | 15.318 | 12.149 | 12.149 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 1112 | ASP | -1 | -0.887 | -0.957 | 10.337 | -21.454 | -21.454 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 1113 | LEU | 0 | -0.017 | 0.002 | 9.103 | -1.190 | -1.190 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 1114 | ARG | 1 | 0.852 | 0.908 | 11.088 | 13.680 | 13.680 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 1115 | GLU | -1 | -0.966 | -0.974 | 12.172 | -17.904 | -17.904 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 1116 | ALA | 0 | 0.033 | 0.016 | 7.351 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 1117 | TRP | 0 | -0.025 | -0.028 | 9.390 | -1.302 | -1.302 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 1118 | GLU | -1 | -0.851 | -0.937 | 11.613 | -14.553 | -14.553 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 1119 | GLU | -1 | -0.837 | -0.893 | 8.669 | -23.589 | -23.589 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 1120 | VAL | 0 | -0.011 | -0.018 | 8.188 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 1121 | LYS | 1 | 0.842 | 0.918 | 10.567 | 14.902 | 14.902 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 1122 | LYS | 1 | 0.904 | 0.962 | 13.681 | 17.357 | 17.357 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 1123 | LYS | 1 | 0.733 | 0.838 | 6.660 | 26.138 | 26.138 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 1124 | VAL | 0 | 0.018 | 0.015 | 12.591 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 1125 | HIS | 0 | -0.003 | -0.009 | 14.644 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 1126 | HIS | 0 | -0.108 | -0.046 | 15.682 | 1.098 | 1.098 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 1127 | HIS | 0 | -0.070 | -0.043 | 15.074 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |