FMODB ID: P2NLR
Calculation Name: 2AX7-A-Xray15
Preferred Name: Androgen Receptor
Target Type: SINGLE PROTEIN
Ligand Name: s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
ligand 3-letter code: FHM
PDB ID: 2AX7
Chain ID: A
ChEMBL ID: CHEMBL1871
UniProt ID: P10275
Base Structure: X-ray
Registration Date: 2018-03-20
Reference:
Modeling method
Optimization | Other |
---|---|
Restraint | Other |
Protonation | Other |
Complement | SWISS Model |
Water | Crystal waters in PDB |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 408 |
LigandCharge | FHM=0 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4258164.292006 |
---|---|
FMO2-HF: Nuclear repulsion | 4141883.71369 |
FMO2-HF: Total energy | -116280.578316 |
FMO2-MP2: Total energy | -116607.719002 |
3D Structure
Ligand structure
FHM
Ligand Interaction
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. |
-133.866 | -90.212 | 91.661 | -41.892 | -93.430 | -0.061 |
Interactive mode: IFIE and PIEDA for fragment #408(:1079:FHM)
Summations of interaction energy for
fragment #408(:1079:FHM)
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. |
-133.866 | -90.212 | 91.661 | -41.892 | -93.43 | 0.061 |
Interaction energy analysis for fragmet #408(:1079:FHM)
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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 672 | ILE | 0 | 0.068 | 0.010 | 27.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
2 | 673 | PHE | 0 | -0.019 | -0.017 | 20.584 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
3 | 674 | LEU | 0 | 0.016 | -0.012 | 20.618 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 | |
4 | 675 | ASN | 0 | 0.052 | 0.049 | 21.474 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 | |
5 | 676 | VAL | 0 | 0.006 | 0.022 | 20.891 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
6 | 677 | LEU | 0 | -0.018 | -0.004 | 17.405 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 | |
7 | 678 | GLU | -1 | -0.812 | -0.851 | 17.094 | 1.427 | 1.427 | 0.000 | 0.000 | 0.000 | 0.000 | |
8 | 679 | ALA | 0 | -0.009 | 0.004 | 17.784 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 | |
9 | 680 | ILE | 0 | -0.053 | -0.025 | 16.231 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
10 | 681 | GLU | -1 | -0.761 | -0.838 | 10.973 | 3.564 | 3.564 | 0.000 | 0.000 | 0.000 | 0.000 | |
11 | 682 | PRO | 0 | -0.055 | -0.018 | 9.598 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 | |
12 | 683 | GLY | 0 | 0.046 | 0.027 | 11.375 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 | |
13 | 684 | VAL | 0 | -0.027 | -0.026 | 9.543 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 | |
14 | 685 | VAL | 0 | -0.060 | -0.018 | 6.413 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 | |
15 | 686 | CYS | 0 | -0.016 | -0.016 | 7.127 | 0.716 | 0.716 | 0.000 | 0.000 | 0.000 | 0.000 | |
16 | 687 | ALA | 0 | -0.018 | -0.022 | 6.180 | -0.643 | -0.643 | 0.000 | 0.000 | 0.000 | 0.000 | |
17 | 688 | GLY | 0 | -0.035 | -0.012 | 7.641 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 | |
18 | 689 | HIS | 1 | 0.781 | 0.897 | 9.383 | 2.523 | 2.523 | 0.000 | 0.000 | 0.000 | 0.000 | |
19 | 690 | ASP | -1 | -0.724 | -0.815 | 11.241 | -0.821 | -0.821 | 0.000 | 0.000 | 0.000 | 0.000 | |
20 | 691 | ASN | 0 | -0.072 | -0.088 | 12.318 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
21 | 692 | ASN | 0 | -0.011 | 0.007 | 15.790 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 | |
22 | 693 | GLN | 0 | 0.044 | 0.059 | 16.624 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
23 | 694 | PRO | 0 | -0.003 | 0.005 | 16.992 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
24 | 695 | ASP | -1 | -0.753 | -0.845 | 13.356 | -1.149 | -1.149 | 0.000 | 0.000 | 0.000 | 0.000 | |
25 | 696 | SER | 0 | -0.031 | -0.031 | 12.666 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
26 | 697 | PHE | 0 | -0.044 | -0.039 | 7.177 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 | |
27 | 698 | ALA | 0 | 0.030 | 0.002 | 8.297 | -0.743 | -0.743 | 0.000 | 0.000 | 0.000 | 0.000 | |
28 | 699 | ALA | 0 | 0.060 | 0.053 | 8.960 | -0.718 | -0.718 | 0.000 | 0.000 | 0.000 | 0.000 | |
29 | 700 | LEU | 0 | -0.034 | -0.016 | 7.552 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 | |
30 | 701 | LEU | 0 | 0.008 | -0.009 | 2.513 | -1.673 | -1.156 | 0.663 | -0.177 | -1.004 | 0.000 | |
31 | 702 | SER | 0 | 0.012 | 0.015 | 4.250 | -4.006 | -3.872 | 0.000 | -0.026 | -0.108 | 0.000 | |
32 | 703 | SER | 0 | 0.003 | 0.018 | 6.269 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 | |
33 | 704 | LEU | 0 | -0.009 | 0.003 | 2.693 | -4.335 | -0.407 | 1.494 | -1.153 | -4.269 | 0.007 | |
34 | 705 | ASN | 0 | 0.008 | 0.006 | 1.626 | -39.760 | -43.584 | 24.704 | -11.521 | -9.359 | -0.087 | |
35 | 706 | GLU | -1 | -0.740 | -0.837 | 2.921 | -1.244 | -2.589 | 0.156 | 1.831 | -0.642 | 0.000 | |
36 | 707 | LEU | 0 | -0.032 | -0.011 | 2.278 | -1.919 | 0.229 | 1.314 | -0.691 | -2.771 | 0.001 | |
37 | 708 | GLY | 0 | 0.018 | -0.005 | 2.656 | -0.590 | 1.410 | 0.704 | -0.958 | -1.746 | -0.006 | |
38 | 709 | GLU | -1 | -0.719 | -0.868 | 3.160 | -0.319 | -0.338 | 0.138 | 0.410 | -0.528 | 0.000 | |
39 | 710 | ARG | 1 | 0.775 | 0.873 | 6.457 | 4.562 | 4.562 | 0.000 | 0.000 | 0.000 | 0.000 | |
40 | 711 | GLN | 0 | -0.010 | -0.036 | 2.608 | 1.386 | 2.505 | 3.724 | -1.493 | -3.350 | -0.003 | |
41 | 712 | LEU | 0 | 0.022 | 0.032 | 5.684 | 1.336 | 1.336 | 0.000 | 0.000 | 0.000 | 0.000 | |
42 | 713 | VAL | 0 | 0.011 | 0.012 | 7.560 | 0.732 | 0.732 | 0.000 | 0.000 | 0.000 | 0.000 | |
43 | 714 | HIS | 1 | 0.908 | 0.937 | 9.140 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
44 | 715 | VAL | 0 | 0.034 | 0.029 | 7.079 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 | |
45 | 716 | VAL | 0 | 0.003 | 0.002 | 9.691 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 | |
46 | 717 | LYS | 1 | 0.911 | 0.947 | 11.796 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 | |
47 | 718 | TRP | 0 | -0.003 | 0.004 | 11.422 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 | |
48 | 719 | ALA | 0 | 0.049 | 0.013 | 12.221 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
49 | 720 | LYS | 1 | 0.850 | 0.924 | 14.259 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 | |
50 | 721 | ALA | 0 | 0.017 | 0.032 | 17.017 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 | |
51 | 722 | LEU | 0 | -0.005 | 0.025 | 14.996 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
52 | 723 | PRO | 0 | -0.022 | 0.008 | 19.089 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 | |
53 | 724 | GLY | 0 | 0.086 | 0.025 | 21.338 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
54 | 725 | PHE | 0 | 0.009 | 0.008 | 13.917 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
55 | 726 | ARG | 1 | 0.907 | 0.949 | 19.434 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 | |
56 | 727 | ASN | 0 | -0.035 | -0.004 | 21.344 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
57 | 728 | LEU | 0 | 0.001 | 0.023 | 16.863 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
58 | 729 | HIS | 1 | 0.909 | 0.955 | 19.432 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 | |
59 | 730 | VAL | 0 | 0.037 | 0.006 | 18.434 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
60 | 731 | ASP | -1 | -0.857 | -0.942 | 16.361 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
61 | 732 | ASP | -1 | -0.694 | -0.819 | 14.780 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 | |
62 | 733 | GLN | 0 | -0.030 | -0.004 | 14.135 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 | |
63 | 734 | MET | 0 | 0.030 | 0.009 | 11.262 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 | |
64 | 735 | ALA | 0 | 0.029 | 0.023 | 10.166 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
65 | 736 | VAL | 0 | 0.003 | 0.009 | 9.189 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 | |
66 | 737 | ILE | 0 | -0.029 | -0.015 | 8.077 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 | |
67 | 738 | GLN | 0 | 0.004 | -0.002 | 5.933 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 | |
68 | 739 | TYR | 0 | -0.005 | 0.002 | 4.357 | 0.841 | 0.965 | -0.001 | -0.006 | -0.118 | 0.000 | |
69 | 740 | SER | 0 | 0.028 | 0.012 | 5.752 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 | |
70 | 741 | TRP | 0 | -0.020 | 0.008 | 2.753 | -4.768 | -0.964 | 4.195 | -1.513 | -6.486 | -0.010 | |
71 | 742 | MET | 0 | 0.006 | 0.018 | 2.186 | -5.806 | -1.393 | 6.947 | -2.753 | -8.607 | 0.023 | |
72 | 743 | GLY | 0 | 0.031 | 0.002 | 3.549 | 2.758 | 3.029 | 0.034 | 0.001 | -0.306 | 0.001 | |
73 | 744 | LEU | 0 | -0.046 | -0.028 | 6.050 | 0.999 | 0.999 | 0.000 | 0.000 | 0.000 | 0.000 | |
74 | 745 | MET | 0 | -0.062 | -0.009 | 2.059 | -5.335 | -1.700 | 5.654 | -2.176 | -7.113 | 0.015 | |
75 | 746 | VAL | 0 | 0.043 | 0.027 | 2.801 | 3.393 | 7.163 | 2.003 | -1.850 | -3.923 | 0.009 | |
76 | 747 | PHE | 0 | -0.014 | -0.016 | 3.384 | -1.088 | -1.004 | 0.078 | 0.125 | -0.288 | 0.002 | |
77 | 748 | ALA | 0 | 0.016 | 0.003 | 5.199 | -0.825 | -0.841 | -0.001 | -0.008 | 0.025 | 0.000 | |
78 | 749 | MET | 0 | -0.054 | 0.000 | 2.183 | -5.851 | -5.430 | 6.373 | -2.336 | -4.458 | 0.020 | |
79 | 750 | GLY | 0 | 0.046 | 0.013 | 4.173 | -3.573 | -3.338 | 0.004 | -0.087 | -0.153 | 0.000 | |
80 | 751 | TRP | 0 | 0.046 | 0.014 | 7.331 | -1.446 | -1.446 | 0.000 | 0.000 | 0.000 | 0.000 | |
81 | 752 | ARG | 1 | 0.820 | 0.919 | 2.526 | -18.029 | -15.953 | 0.804 | -1.120 | -1.760 | 0.015 | |
82 | 753 | SER | 0 | -0.019 | -0.015 | 7.109 | -1.214 | -1.214 | 0.000 | 0.000 | 0.000 | 0.000 | |
83 | 754 | PHE | 0 | -0.032 | 0.010 | 9.617 | -0.857 | -0.857 | 0.000 | 0.000 | 0.000 | 0.000 | |
84 | 755 | THR | 0 | -0.011 | -0.022 | 12.188 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 | |
85 | 756 | ASN | 0 | -0.022 | 0.001 | 9.931 | -0.723 | -0.723 | 0.000 | 0.000 | 0.000 | 0.000 | |
86 | 757 | VAL | 0 | -0.021 | -0.009 | 11.942 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 | |
87 | 758 | ASN | 0 | 0.040 | 0.039 | 14.650 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
88 | 759 | SER | 0 | 0.020 | 0.001 | 11.944 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
89 | 760 | ARG | 1 | 0.849 | 0.934 | 13.022 | -1.269 | -1.269 | 0.000 | 0.000 | 0.000 | 0.000 | |
90 | 761 | MET | 0 | -0.023 | -0.010 | 11.608 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 | |
91 | 762 | LEU | 0 | -0.007 | 0.010 | 5.770 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 | |
92 | 763 | TYR | 0 | 0.051 | 0.009 | 7.522 | -0.981 | -0.981 | 0.000 | 0.000 | 0.000 | 0.000 | |
93 | 764 | PHE | 0 | 0.000 | -0.012 | 2.634 | -1.976 | 1.843 | 3.206 | -1.710 | -5.314 | 0.010 | |
94 | 765 | ALA | 0 | 0.062 | 0.034 | 3.675 | 1.535 | 2.258 | 0.024 | -0.154 | -0.595 | 0.000 | |
95 | 766 | PRO | 0 | -0.011 | 0.002 | 6.420 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 | |
96 | 767 | ASP | -1 | -0.697 | -0.822 | 9.277 | -1.099 | -1.099 | 0.000 | 0.000 | 0.000 | 0.000 | |
97 | 768 | LEU | 0 | -0.042 | -0.021 | 5.173 | -0.809 | -0.809 | 0.000 | 0.000 | 0.000 | 0.000 | |
98 | 769 | VAL | 0 | 0.027 | 0.011 | 7.600 | 0.876 | 0.876 | 0.000 | 0.000 | 0.000 | 0.000 | |
99 | 770 | PHE | 0 | -0.013 | -0.022 | 6.961 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 | |
100 | 771 | ASN | 0 | 0.102 | 0.052 | 10.219 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 | |
101 | 772 | GLU | -1 | -0.786 | -0.921 | 12.585 | 1.024 | 1.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
102 | 773 | TYR | 0 | -0.011 | 0.007 | 14.462 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 | |
103 | 774 | ARG | 1 | 0.855 | 0.922 | 11.073 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 | |
104 | 775 | MET | 0 | -0.036 | 0.003 | 9.495 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 | |
105 | 776 | HIS | 1 | 0.936 | 0.978 | 10.609 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 | |
106 | 777 | LYS | 1 | 0.836 | 0.941 | 11.800 | 1.097 | 1.097 | 0.000 | 0.000 | 0.000 | 0.000 | |
107 | 778 | SER | 0 | 0.073 | 0.025 | 6.345 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 | |
108 | 779 | ARG | 1 | 0.848 | 0.933 | 7.169 | 1.736 | 1.736 | 0.000 | 0.000 | 0.000 | 0.000 | |
109 | 780 | MET | 0 | 0.002 | 0.016 | 2.667 | -2.542 | -1.102 | 0.492 | -0.504 | -1.429 | 0.005 | |
110 | 781 | TYR | 0 | 0.005 | 0.002 | 7.612 | 1.007 | 1.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
111 | 782 | SER | 0 | -0.014 | -0.006 | 10.727 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 | |
112 | 783 | GLN | 0 | 0.072 | 0.021 | 6.064 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 | |
113 | 784 | CYS | 0 | -0.037 | -0.019 | 6.690 | 1.080 | 1.080 | 0.000 | 0.000 | 0.000 | 0.000 | |
114 | 785 | VAL | 0 | 0.060 | 0.030 | 7.621 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 | |
115 | 786 | ARG | 1 | 0.807 | 0.885 | 8.932 | -2.298 | -2.298 | 0.000 | 0.000 | 0.000 | 0.000 | |
116 | 787 | MET | 0 | 0.006 | 0.017 | 3.205 | -0.827 | 1.113 | 0.369 | -0.899 | -1.411 | 0.008 | |
117 | 788 | ARG | 1 | 0.954 | 0.988 | 7.433 | -2.049 | -2.049 | 0.000 | 0.000 | 0.000 | 0.000 | |
118 | 789 | HIS | 1 | 0.884 | 0.944 | 9.886 | -2.636 | -2.636 | 0.000 | 0.000 | 0.000 | 0.000 | |
119 | 790 | LEU | 0 | 0.000 | 0.005 | 7.413 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 | |
120 | 791 | SER | 0 | 0.012 | -0.024 | 9.091 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 | |
121 | 792 | GLN | 0 | -0.019 | -0.010 | 10.751 | -0.487 | -0.487 | 0.000 | 0.000 | 0.000 | 0.000 | |
122 | 793 | GLU | -1 | -0.885 | -0.944 | 13.674 | 1.850 | 1.850 | 0.000 | 0.000 | 0.000 | 0.000 | |
123 | 794 | PHE | 0 | -0.008 | 0.014 | 9.542 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 | |
124 | 795 | GLY | 0 | 0.036 | 0.048 | 15.070 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 | |
125 | 796 | TRP | 0 | -0.033 | -0.013 | 16.968 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 | |
126 | 797 | LEU | 0 | -0.002 | -0.003 | 17.312 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 | |
127 | 798 | GLN | 0 | -0.024 | 0.014 | 19.779 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 | |
128 | 799 | ILE | 0 | -0.026 | 0.006 | 15.301 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 | |
129 | 800 | THR | 0 | 0.036 | 0.032 | 17.685 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
130 | 801 | PRO | 0 | 0.064 | 0.015 | 16.231 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 | |
131 | 802 | GLN | 0 | 0.006 | -0.022 | 16.631 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 | |
132 | 803 | GLU | -1 | -0.764 | -0.849 | 18.336 | 1.682 | 1.682 | 0.000 | 0.000 | 0.000 | 0.000 | |
133 | 804 | PHE | 0 | 0.013 | 0.000 | 9.336 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 | |
134 | 805 | LEU | 0 | 0.016 | 0.018 | 13.760 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 | |
135 | 806 | CYS | 0 | -0.012 | 0.025 | 15.189 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
136 | 807 | MET | 0 | -0.040 | -0.005 | 14.442 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
137 | 808 | LYS | 1 | 0.833 | 0.906 | 9.006 | -3.534 | -3.534 | 0.000 | 0.000 | 0.000 | 0.000 | |
138 | 809 | ALA | 0 | 0.011 | -0.002 | 12.541 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
139 | 810 | LEU | 0 | 0.023 | 0.007 | 15.102 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 | |
140 | 811 | LEU | 0 | -0.009 | 0.007 | 9.008 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 | |
141 | 812 | LEU | 0 | -0.022 | 0.019 | 10.600 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
142 | 813 | PHE | 0 | 0.022 | 0.011 | 12.098 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 | |
143 | 814 | SER | 0 | -0.007 | 0.002 | 13.145 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 | |
144 | 815 | ILE | 0 | -0.032 | -0.004 | 8.180 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 | |
145 | 816 | ILE | 0 | 0.015 | 0.021 | 12.222 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 | |
146 | 817 | PRO | 0 | 0.017 | -0.003 | 13.093 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
147 | 818 | VAL | 0 | 0.009 | 0.024 | 14.940 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
148 | 819 | ASP | -1 | -0.952 | -0.955 | 17.786 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 | |
149 | 820 | GLY | 0 | -0.013 | 0.003 | 18.527 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
150 | 821 | LEU | 0 | -0.079 | -0.035 | 14.726 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
151 | 822 | LYS | 1 | 0.848 | 0.922 | 18.423 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 | |
152 | 823 | ASN | 0 | -0.054 | -0.030 | 20.612 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
153 | 824 | GLN | 0 | 0.000 | -0.015 | 18.999 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
154 | 825 | LYS | 1 | 1.001 | 1.000 | 21.677 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 | |
155 | 826 | PHE | 0 | 0.070 | 0.033 | 22.861 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 | |
156 | 827 | PHE | 0 | 0.013 | 0.009 | 15.391 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 | |
157 | 828 | ASP | -1 | -0.814 | -0.907 | 20.531 | 0.740 | 0.740 | 0.000 | 0.000 | 0.000 | 0.000 | |
158 | 829 | GLU | -1 | -0.970 | -0.974 | 22.545 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 | |
159 | 830 | LEU | 0 | 0.028 | 0.022 | 19.069 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 | |
160 | 831 | ARG | 1 | 0.868 | 0.911 | 17.351 | -1.292 | -1.292 | 0.000 | 0.000 | 0.000 | 0.000 | |
161 | 832 | MET | 0 | -0.016 | -0.007 | 20.682 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 | |
162 | 833 | ASN | 0 | -0.023 | -0.019 | 24.107 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
163 | 834 | TYR | 0 | 0.076 | 0.017 | 19.321 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
164 | 835 | ILE | 0 | -0.021 | -0.008 | 21.390 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 | |
165 | 836 | LYS | 1 | 0.845 | 0.937 | 22.848 | -0.870 | -0.870 | 0.000 | 0.000 | 0.000 | 0.000 | |
166 | 837 | GLU | -1 | -0.802 | -0.880 | 22.812 | 0.924 | 0.924 | 0.000 | 0.000 | 0.000 | 0.000 | |
167 | 838 | LEU | 0 | 0.014 | -0.004 | 19.305 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
168 | 839 | ASP | -1 | -0.818 | -0.896 | 22.667 | 0.991 | 0.991 | 0.000 | 0.000 | 0.000 | 0.000 | |
169 | 840 | ARG | 1 | 0.934 | 0.986 | 26.076 | -0.822 | -0.822 | 0.000 | 0.000 | 0.000 | 0.000 | |
170 | 841 | ILE | 0 | 0.027 | 0.014 | 21.093 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
171 | 842 | ILE | 0 | -0.011 | 0.030 | 22.826 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
172 | 843 | ALA | 0 | 0.008 | 0.001 | 25.654 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
173 | 844 | CYS | 0 | -0.013 | 0.005 | 26.784 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
174 | 845 | LYS | 1 | 0.897 | 0.938 | 25.130 | -1.026 | -1.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
175 | 846 | ARG | 1 | 0.852 | 0.935 | 24.047 | -1.211 | -1.211 | 0.000 | 0.000 | 0.000 | 0.000 | |
176 | 847 | LYS | 1 | 0.989 | 0.997 | 30.899 | -0.619 | -0.619 | 0.000 | 0.000 | 0.000 | 0.000 | |
177 | 848 | ASN | 0 | -0.045 | -0.050 | 33.430 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
178 | 849 | PRO | 0 | 0.071 | 0.061 | 33.647 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
179 | 850 | THR | 0 | 0.059 | 0.009 | 32.584 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
180 | 851 | SER | 0 | 0.007 | 0.017 | 30.613 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 | |
181 | 852 | CYS | 0 | -0.012 | -0.002 | 28.495 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 | |
182 | 853 | SER | 0 | 0.000 | -0.007 | 27.368 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 | |
183 | 854 | ARG | 1 | 1.015 | 1.014 | 26.604 | -0.947 | -0.947 | 0.000 | 0.000 | 0.000 | 0.000 | |
184 | 855 | ARG | 1 | 0.784 | 0.879 | 20.878 | -1.474 | -1.474 | 0.000 | 0.000 | 0.000 | 0.000 | |
185 | 856 | PHE | 0 | 0.061 | 0.029 | 22.781 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 | |
186 | 857 | TYR | 0 | 0.008 | 0.025 | 22.325 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 | |
187 | 858 | GLN | 0 | 0.013 | -0.004 | 21.207 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 | |
188 | 859 | LEU | 0 | 0.041 | 0.013 | 18.258 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 | |
189 | 860 | THR | 0 | 0.008 | 0.004 | 17.201 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 | |
190 | 861 | LYS | 1 | 0.885 | 0.961 | 17.656 | -1.213 | -1.213 | 0.000 | 0.000 | 0.000 | 0.000 | |
191 | 862 | LEU | 0 | 0.053 | 0.050 | 13.527 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 | |
192 | 863 | LEU | 0 | 0.032 | 0.038 | 12.783 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 | |
193 | 864 | ASP | -1 | -0.744 | -0.875 | 12.847 | 1.938 | 1.938 | 0.000 | 0.000 | 0.000 | 0.000 | |
194 | 865 | SER | 0 | -0.071 | -0.050 | 12.842 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 | |
195 | 866 | VAL | 0 | 0.060 | 0.035 | 7.419 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 | |
196 | 867 | GLN | 0 | 0.016 | 0.005 | 8.866 | 0.583 | 0.583 | 0.000 | 0.000 | 0.000 | 0.000 | |
197 | 868 | PRO | 0 | -0.017 | -0.003 | 10.723 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
198 | 869 | ILE | 0 | 0.050 | 0.029 | 5.614 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 | |
199 | 870 | ALA | 0 | 0.046 | 0.016 | 6.116 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 | |
200 | 871 | ARG | 1 | 0.904 | 0.970 | 7.179 | -1.228 | -1.228 | 0.000 | 0.000 | 0.000 | 0.000 | |
201 | 872 | GLU | -1 | -0.846 | -0.916 | 8.639 | 1.138 | 1.138 | 0.000 | 0.000 | 0.000 | 0.000 | |
202 | 873 | LEU | 0 | -0.011 | -0.010 | 2.518 | -3.102 | -1.389 | 1.050 | -0.797 | -1.966 | 0.007 | |
203 | 874 | HIS | 0 | 0.033 | 0.013 | 2.934 | -2.904 | -0.366 | 0.661 | -0.845 | -2.353 | 0.006 | |
204 | 875 | GLN | 0 | -0.018 | 0.005 | 5.047 | -2.422 | -2.276 | -0.001 | -0.007 | -0.139 | 0.000 | |
205 | 876 | PHE | 0 | 0.008 | 0.004 | 3.221 | -1.113 | -0.321 | 0.070 | -0.159 | -0.703 | 0.000 | |
206 | 877 | THR | 0 | -0.091 | -0.061 | 2.084 | -1.030 | -6.090 | 12.969 | -2.328 | -5.581 | 0.000 | |
207 | 878 | PHE | 0 | 0.053 | 0.029 | 4.321 | -0.831 | -0.631 | 0.000 | -0.056 | -0.144 | 0.000 | |
208 | 879 | ASP | -1 | -0.891 | -0.942 | 6.754 | -2.354 | -2.354 | 0.000 | 0.000 | 0.000 | 0.000 | |
209 | 880 | LEU | 0 | -0.039 | -0.031 | 3.395 | 0.140 | 0.413 | 0.010 | -0.052 | -0.231 | 0.000 | |
210 | 881 | LEU | 0 | 0.033 | 0.014 | 6.157 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 | |
211 | 882 | ILE | 0 | -0.028 | 0.005 | 7.975 | 0.743 | 0.743 | 0.000 | 0.000 | 0.000 | 0.000 | |
212 | 883 | LYS | 1 | 0.903 | 0.948 | 9.865 | 3.304 | 3.304 | 0.000 | 0.000 | 0.000 | 0.000 | |
213 | 884 | SER | 0 | 0.027 | 0.026 | 8.613 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 | |
214 | 885 | HIS | 1 | 0.896 | 0.935 | 10.036 | 2.916 | 2.916 | 0.000 | 0.000 | 0.000 | 0.000 | |
215 | 886 | MET | 0 | -0.032 | -0.020 | 12.998 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 | |
216 | 887 | VAL | 0 | -0.074 | -0.023 | 9.066 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 | |
217 | 888 | SER | 0 | 0.010 | 0.001 | 11.729 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 | |
218 | 889 | VAL | 0 | -0.006 | 0.007 | 5.670 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 | |
219 | 890 | ASP | -1 | -0.843 | -0.908 | 8.434 | -4.633 | -4.633 | 0.000 | 0.000 | 0.000 | 0.000 | |
220 | 891 | PHE | 0 | -0.023 | -0.032 | 3.221 | -3.039 | -2.465 | 0.018 | -0.102 | -0.490 | 0.000 | |
221 | 892 | PRO | 0 | -0.011 | 0.019 | 5.549 | 0.886 | 0.886 | 0.000 | 0.000 | 0.000 | 0.000 | |
222 | 893 | GLU | -1 | -0.811 | -0.902 | 8.480 | -3.794 | -3.794 | 0.000 | 0.000 | 0.000 | 0.000 | |
223 | 894 | MET | 0 | -0.057 | -0.019 | 8.995 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 | |
224 | 895 | MET | 0 | -0.021 | 0.003 | 2.768 | -7.598 | -3.589 | 3.112 | -1.886 | -5.235 | 0.013 | |
225 | 896 | ALA | 0 | -0.010 | 0.005 | 5.257 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 | |
226 | 897 | GLU | -1 | -0.856 | -0.923 | 7.492 | -1.029 | -1.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
227 | 898 | ILE | 0 | 0.009 | -0.004 | 3.369 | -0.130 | 0.575 | 0.033 | -0.185 | -0.554 | 0.001 | |
228 | 899 | ILE | 0 | -0.043 | -0.033 | 2.136 | -0.848 | -0.291 | 2.615 | -0.633 | -2.539 | -0.001 | |
229 | 900 | SER | 0 | -0.018 | -0.011 | 4.318 | 0.665 | 0.740 | 0.000 | -0.020 | -0.055 | 0.000 | |
230 | 901 | VAL | 0 | 0.003 | 0.012 | 8.022 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 | |
231 | 902 | GLN | 0 | -0.006 | -0.037 | 5.708 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 | |
232 | 903 | VAL | 0 | -0.009 | 0.007 | 2.418 | -0.636 | 0.411 | 0.510 | -0.462 | -1.096 | 0.000 | |
233 | 904 | PRO | 0 | 0.048 | 0.024 | 5.824 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 | |
234 | 905 | LYS | 1 | 0.835 | 0.927 | 9.063 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 | |
235 | 906 | ILE | 0 | 0.005 | 0.018 | 5.583 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 | |
236 | 907 | LEU | 0 | -0.042 | 0.002 | 7.213 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 | |
237 | 908 | SER | 0 | -0.061 | -0.028 | 10.562 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
238 | 909 | GLY | 0 | -0.003 | 0.000 | 12.958 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
239 | 910 | LYS | 1 | 0.958 | 0.986 | 13.561 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 | |
240 | 911 | VAL | 0 | 0.012 | 0.019 | 9.671 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
241 | 912 | LYS | 1 | 0.951 | 0.984 | 11.817 | -0.586 | -0.586 | 0.000 | 0.000 | 0.000 | 0.000 | |
242 | 913 | PRO | 0 | 0.000 | 0.008 | 11.774 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
243 | 914 | ILE | 0 | 0.005 | 0.003 | 13.256 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 | |
244 | 915 | TYR | 0 | 0.010 | 0.021 | 14.796 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 | |
245 | 916 | PHE | 0 | 0.004 | 0.010 | 18.151 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 | |
246 | 917 | HIS | 1 | 0.816 | 0.931 | 19.979 | -1.429 | -1.429 | 0.000 | 0.000 | 0.000 | 0.000 | |
247 | 918 | WAT | 0 | -0.015 | -0.015 | 2.637 | -2.389 | -1.262 | 0.422 | -0.781 | -0.767 | 0.002 | |
248 | 919 | WAT | 0 | -0.011 | -0.036 | 14.240 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
249 | 920 | WAT | 0 | -0.004 | -0.005 | 22.409 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
250 | 921 | WAT | 0 | -0.025 | -0.021 | 17.001 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
251 | 922 | WAT | 0 | 0.013 | -0.004 | 7.556 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 | |
252 | 923 | WAT | 0 | -0.020 | -0.019 | 12.356 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
253 | 924 | WAT | 0 | -0.026 | -0.032 | 6.030 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 | |
254 | 925 | WAT | 0 | -0.008 | -0.004 | 2.311 | -8.966 | -6.344 | 2.433 | -2.353 | -2.703 | 0.026 | |
255 | 926 | WAT | 0 | 0.033 | 0.025 | 24.874 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
256 | 927 | WAT | 0 | -0.022 | -0.029 | 4.768 | 1.055 | 1.082 | 0.000 | -0.001 | -0.026 | 0.000 | |
257 | 928 | WAT | 0 | 0.030 | 0.022 | 12.299 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
258 | 929 | WAT | 0 | 0.009 | 0.031 | 12.636 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 | |
259 | 930 | WAT | 0 | -0.018 | -0.015 | 13.253 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 | |
260 | 931 | WAT | 0 | -0.032 | -0.030 | 14.006 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 | |
261 | 932 | WAT | 0 | -0.020 | -0.023 | 8.755 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 | |
262 | 933 | WAT | 0 | -0.001 | -0.009 | 11.424 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 | |
263 | 934 | WAT | 0 | 0.006 | -0.004 | 22.300 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | |
264 | 935 | WAT | 0 | -0.045 | -0.041 | 22.469 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 | |
265 | 936 | WAT | 0 | 0.055 | 0.043 | 11.396 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
266 | 937 | WAT | 0 | 0.018 | 0.018 | 12.075 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 | |
267 | 938 | WAT | 0 | -0.068 | -0.059 | 24.439 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
268 | 939 | WAT | 0 | 0.012 | 0.005 | 9.293 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 | |
269 | 940 | WAT | 0 | -0.025 | -0.032 | 21.948 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
270 | 941 | WAT | 0 | -0.005 | -0.002 | 16.912 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
271 | 942 | WAT | 0 | -0.006 | -0.004 | 14.173 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 | |
272 | 943 | WAT | 0 | -0.045 | -0.048 | 20.774 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
273 | 944 | WAT | 0 | -0.007 | -0.025 | 12.271 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 | |
274 | 945 | WAT | 0 | 0.002 | -0.003 | 11.284 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 | |
275 | 946 | WAT | 0 | -0.015 | -0.025 | 27.266 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
276 | 947 | WAT | 0 | -0.010 | -0.010 | 13.946 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 | |
277 | 948 | WAT | 0 | 0.001 | 0.000 | 24.614 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
278 | 949 | WAT | 0 | -0.004 | -0.006 | 7.060 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 | |
279 | 950 | WAT | 0 | 0.006 | 0.002 | 33.777 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
280 | 951 | WAT | 0 | 0.041 | 0.042 | 16.523 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
281 | 952 | WAT | 0 | -0.032 | -0.036 | 16.299 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 | |
282 | 953 | WAT | 0 | -0.030 | -0.025 | 23.302 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
283 | 954 | WAT | 0 | -0.008 | -0.015 | 20.899 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
284 | 955 | WAT | 0 | 0.003 | 0.009 | 15.269 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | |
285 | 956 | WAT | 0 | -0.044 | -0.032 | 10.359 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 | |
286 | 957 | WAT | 0 | -0.011 | -0.003 | 17.497 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
287 | 958 | WAT | 0 | 0.024 | 0.012 | 12.224 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
288 | 959 | WAT | 0 | 0.006 | 0.001 | 12.757 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
289 | 960 | WAT | 0 | -0.005 | -0.006 | 15.948 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
290 | 961 | WAT | 0 | 0.010 | 0.002 | 28.052 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 | |
291 | 962 | WAT | 0 | -0.079 | -0.068 | 16.876 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
292 | 963 | WAT | 0 | -0.021 | -0.024 | 14.992 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 | |
293 | 964 | WAT | 0 | 0.035 | 0.014 | 16.189 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
294 | 965 | WAT | 0 | -0.019 | -0.012 | 24.646 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
295 | 966 | WAT | 0 | 0.027 | 0.014 | 27.891 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | |
296 | 967 | WAT | 0 | -0.011 | -0.011 | 11.785 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 | |
297 | 968 | WAT | 0 | -0.010 | -0.024 | 14.519 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | |
298 | 969 | WAT | 0 | 0.024 | 0.017 | 17.402 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
299 | 970 | WAT | 0 | 0.033 | 0.027 | 17.954 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | |
300 | 971 | WAT | 0 | 0.010 | -0.020 | 14.503 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 | |
301 | 972 | WAT | 0 | -0.034 | -0.048 | 19.705 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
302 | 973 | WAT | 0 | -0.003 | -0.006 | 14.047 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 | |
303 | 974 | WAT | 0 | 0.037 | 0.016 | 9.139 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 | |
304 | 975 | WAT | 0 | 0.017 | 0.008 | 11.651 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 | |
305 | 976 | WAT | 0 | 0.028 | 0.017 | 12.379 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
306 | 977 | WAT | 0 | 0.025 | 0.002 | 12.847 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
307 | 978 | WAT | 0 | 0.033 | 0.018 | 21.054 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 | |
308 | 979 | WAT | 0 | -0.029 | -0.020 | 23.914 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
309 | 980 | WAT | 0 | 0.033 | 0.019 | 13.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
310 | 981 | WAT | 0 | 0.028 | 0.012 | 12.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
311 | 982 | WAT | 0 | -0.007 | -0.013 | 19.035 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 | |
312 | 983 | WAT | 0 | -0.003 | 0.009 | 14.525 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
313 | 984 | WAT | 0 | 0.006 | 0.008 | 6.981 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 | |
314 | 985 | WAT | 0 | -0.016 | -0.011 | 10.094 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 | |
315 | 986 | WAT | 0 | 0.015 | 0.020 | 12.374 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 | |
316 | 987 | WAT | 0 | 0.005 | 0.012 | 16.490 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
317 | 988 | WAT | 0 | 0.009 | 0.009 | 22.423 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
318 | 989 | WAT | 0 | 0.014 | 0.025 | 10.112 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 | |
319 | 990 | WAT | 0 | -0.004 | 0.013 | 11.258 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 | |
320 | 991 | WAT | 0 | 0.034 | 0.038 | 6.528 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 | |
321 | 992 | WAT | 0 | -0.011 | -0.005 | 9.926 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 | |
322 | 993 | WAT | 0 | -0.034 | -0.036 | 11.080 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 | |
323 | 994 | WAT | 0 | 0.005 | 0.001 | 29.112 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
324 | 995 | WAT | 0 | -0.044 | -0.037 | 21.615 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | |
325 | 996 | WAT | 0 | -0.011 | -0.014 | 12.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
326 | 997 | WAT | 0 | -0.032 | -0.020 | 29.254 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | |
327 | 998 | WAT | 0 | 0.047 | 0.048 | 13.552 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | |
328 | 999 | WAT | 0 | -0.061 | -0.057 | 11.703 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 | |
329 | 1000 | WAT | 0 | -0.025 | -0.017 | 18.482 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 | |
330 | 1001 | WAT | 0 | 0.029 | 0.017 | 9.255 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 | |
331 | 1002 | WAT | 0 | -0.031 | -0.025 | 15.207 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
332 | 1003 | WAT | 0 | -0.007 | -0.013 | 2.269 | -8.652 | -7.740 | 4.681 | -2.457 | -3.135 | -0.003 | |
333 | 1004 | WAT | 0 | 0.053 | 0.033 | 19.740 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
334 | 1005 | WAT | 0 | 0.019 | 0.006 | 11.321 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 | |
335 | 1006 | WAT | 0 | -0.026 | -0.025 | 20.542 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 | |
336 | 1007 | WAT | 0 | 0.000 | 0.000 | 36.367 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | |
337 | 1008 | WAT | 0 | -0.051 | -0.048 | 8.116 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 | |
338 | 1009 | WAT | 0 | -0.035 | -0.034 | 12.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
339 | 1010 | WAT | 0 | -0.022 | -0.031 | 13.756 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | |
340 | 1011 | WAT | 0 | 0.042 | 0.032 | 13.263 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 | |
341 | 1012 | WAT | 0 | -0.001 | -0.010 | 24.382 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | |
342 | 1013 | WAT | 0 | -0.027 | -0.024 | 17.199 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | |
343 | 1014 | WAT | 0 | -0.020 | -0.011 | 13.120 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 | |
344 | 1015 | WAT | 0 | -0.036 | -0.031 | 24.315 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
345 | 1016 | WAT | 0 | 0.018 | 0.005 | 30.033 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
346 | 1017 | WAT | 0 | -0.020 | -0.008 | 10.263 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 | |
347 | 1018 | WAT | 0 | -0.026 | -0.011 | 22.879 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | |
348 | 1019 | WAT | 0 | 0.036 | 0.023 | 10.724 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 | |
349 | 1020 | WAT | 0 | -0.034 | -0.048 | 12.073 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | |
350 | 1021 | WAT | 0 | 0.032 | 0.021 | 14.093 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 | |
351 | 1022 | WAT | 0 | 0.062 | 0.058 | 13.749 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
352 | 1023 | WAT | 0 | -0.026 | -0.027 | 13.078 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 | |
353 | 1024 | WAT | 0 | 0.025 | 0.015 | 12.610 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
354 | 1025 | WAT | 0 | 0.047 | 0.036 | 23.731 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
355 | 1026 | WAT | 0 | -0.015 | -0.011 | 16.067 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 | |
356 | 1027 | WAT | 0 | 0.025 | 0.022 | 24.785 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | |
357 | 1028 | WAT | 0 | -0.050 | -0.050 | 12.261 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 | |
358 | 1029 | WAT | 0 | -0.051 | -0.048 | 17.466 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 | |
359 | 1030 | WAT | 0 | 0.039 | 0.035 | 33.637 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
360 | 1031 | WAT | 0 | -0.047 | -0.050 | 7.884 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 | |
361 | 1032 | WAT | 0 | 0.036 | 0.020 | 27.303 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
362 | 1033 | WAT | 0 | 0.006 | -0.018 | 21.948 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | |
363 | 1034 | WAT | 0 | -0.085 | -0.089 | 19.438 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 | |
364 | 1035 | WAT | 0 | -0.021 | -0.037 | 13.189 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | |
365 | 1036 | WAT | 0 | -0.034 | -0.048 | 23.500 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | |
366 | 1037 | WAT | 0 | -0.004 | 0.000 | 14.635 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 | |
367 | 1038 | WAT | 0 | -0.016 | -0.006 | 18.621 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | |
368 | 1039 | WAT | 0 | 0.031 | 0.016 | 25.600 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | |
369 | 1040 | WAT | 0 | 0.016 | 0.009 | 9.892 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 | |
370 | 1041 | WAT | 0 | 0.004 | 0.001 | 24.455 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 | |
371 | 1042 | WAT | 0 | 0.011 | 0.008 | 12.813 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 | |
372 | 1043 | WAT | 0 | -0.023 | -0.009 | 16.593 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 | |
373 | 1044 | WAT | 0 | -0.056 | -0.077 | 19.693 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | |
374 | 1045 | WAT | 0 | 0.013 | 0.004 | 28.040 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | |
375 | 1046 | WAT | 0 | -0.002 | -0.013 | 13.932 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 | |
376 | 1047 | WAT | 0 | -0.031 | -0.039 | 24.969 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 | |
377 | 1048 | WAT | 0 | 0.037 | 0.035 | 13.793 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 | |
378 | 1049 | WAT | 0 | 0.011 | -0.015 | 9.130 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 | |
379 | 1050 | WAT | 0 | 0.002 | 0.000 | 17.642 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | |
380 | 1051 | WAT | 0 | -0.026 | -0.011 | 10.650 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 | |
381 | 1052 | WAT | 0 | -0.007 | -0.004 | 25.941 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | |
382 | 1053 | WAT | 0 | -0.079 | -0.067 | 26.539 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
383 | 1054 | WAT | 0 | -0.052 | -0.048 | 20.975 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | |
384 | 1055 | WAT | 0 | -0.045 | -0.036 | 10.109 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 | |
385 | 1056 | WAT | 0 | 0.017 | 0.006 | 9.773 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 | |
386 | 1057 | WAT | 0 | 0.033 | 0.024 | 10.729 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 | |
387 | 1058 | WAT | 0 | 0.015 | 0.004 | 29.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | |
388 | 1059 | WAT | 0 | 0.006 | -0.016 | 14.151 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | |
389 | 1060 | WAT | 0 | 0.017 | 0.016 | 15.529 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | |
390 | 1061 | WAT | 0 | -0.040 | -0.024 | 25.526 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 | |
391 | 1062 | WAT | 0 | 0.011 | 0.003 | 15.074 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 | |
392 | 1063 | WAT | 0 | -0.047 | -0.042 | 15.938 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 | |
393 | 1064 | WAT | 0 | -0.005 | -0.001 | 12.110 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 | |
394 | 1065 | WAT | 0 | 0.018 | 0.008 | 24.856 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
395 | 1066 | WAT | 0 | 0.012 | -0.002 | 25.380 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | |
396 | 1067 | WAT | 0 | 0.018 | 0.007 | 10.469 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 | |
397 | 1068 | WAT | 0 | 0.004 | 0.001 | 13.849 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 | |
398 | 1069 | WAT | 0 | 0.028 | 0.040 | 7.881 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 | |
399 | 1070 | WAT | 0 | -0.030 | -0.025 | 14.789 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 | |
400 | 1071 | WAT | 0 | -0.025 | -0.031 | 13.729 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 | |
401 | 1072 | WAT | 0 | -0.027 | -0.025 | 17.422 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 | |
402 | 1073 | WAT | 0 | 0.010 | 0.007 | 21.519 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | |
403 | 1074 | WAT | 0 | -0.001 | -0.003 | 14.091 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 | |
404 | 1075 | WAT | 0 | -0.008 | -0.004 | 23.945 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | |
405 | 1076 | WAT | 0 | -0.015 | -0.010 | 10.554 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 | |
406 | 1077 | WAT | 0 | -0.009 | -0.003 | 30.453 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 | |
407 | 1078 | WAT | 0 | -0.001 | -0.013 | 15.261 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |