
FMODB ID: 2M7ZR
Calculation Name: 1JPA-A-Xray547
Preferred Name: Ephrin type-B receptor 2
Target Type: SINGLE PROTEIN
Ligand Name: phosphoaminophosphonic acid-adenylate ester
Ligand 3-letter code: ANP
Ligand of Interest (LOI):
PDB ID: 1JPA
Chain ID: A
ChEMBL ID: CHEMBL5961
UniProt ID: P54763
Base Structure: X-ray
Registration Date: 2025-10-05
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Homology Modeling |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 276 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
FMO2-HF: Electronic energy | -3920394.803037 |
---|---|
FMO2-HF: Nuclear repulsion | 3807611.142198 |
FMO2-HF: Total energy | -112783.660839 |
FMO2-MP2: Total energy | -113105.505334 |
3D Structure
Ligand structure

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. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:602:LYS)
Summations of interaction energy for
fragment #1(A:602:LYS)
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. |
-322.931 | -319.27 | 3.281 | -2.523 | -4.417 | -0.03 |
Interaction energy analysis for fragmet #1(A:602:LYS)
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 | 604 | PHE | 0 | 0.050 | 0.036 | 3.583 | -5.167 | -2.603 | -0.003 | -1.331 | -1.229 | -0.007 |
84 | A | 685 | PHE | 0 | -0.101 | -0.053 | 4.122 | -16.703 | -16.386 | 0.000 | -0.044 | -0.273 | 0.000 |
85 | A | 686 | ASP | -1 | -0.924 | -0.957 | 4.544 | -74.062 | -73.930 | -0.001 | -0.007 | -0.124 | 0.000 |
143 | A | 744 | TYR | 0 | -0.001 | 0.013 | 4.578 | -4.402 | -4.250 | -0.001 | -0.005 | -0.145 | 0.000 |
147 | A | 748 | MET | 0 | -0.047 | -0.011 | 2.743 | -25.351 | -24.855 | 3.286 | -1.136 | -2.646 | -0.023 |
4 | A | 605 | ILE | 0 | -0.032 | -0.017 | 6.125 | 3.853 | 3.853 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 606 | ASP | -1 | -0.840 | -0.906 | 8.452 | -37.369 | -37.369 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 607 | PRO | 0 | 0.068 | 0.037 | 11.969 | 0.901 | 0.901 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 608 | PHE | 0 | -0.079 | -0.061 | 13.495 | 2.097 | 2.097 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 609 | THR | 0 | -0.082 | -0.051 | 13.234 | 1.265 | 1.265 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 610 | PHE | 0 | -0.009 | 0.007 | 10.168 | 0.722 | 0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 611 | GLU | -1 | -0.956 | -0.981 | 15.980 | -27.323 | -27.323 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 612 | ASP | -1 | -0.824 | -0.900 | 18.573 | -27.896 | -27.896 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 613 | PRO | 0 | -0.011 | -0.009 | 16.538 | -1.474 | -1.474 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 614 | ASN | 0 | -0.043 | -0.037 | 16.076 | -1.478 | -1.478 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 615 | GLU | -1 | -0.864 | -0.913 | 13.558 | -37.622 | -37.622 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 616 | ALA | 0 | 0.064 | 0.034 | 11.603 | -2.343 | -2.343 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 617 | VAL | 0 | -0.037 | -0.028 | 11.234 | -2.654 | -2.654 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 618 | ARG | 1 | 0.799 | 0.898 | 12.316 | 32.877 | 32.877 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 619 | GLU | -1 | -0.931 | -0.962 | 8.367 | -53.355 | -53.355 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 620 | PHE | 0 | -0.058 | -0.029 | 5.959 | -7.134 | -7.134 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 621 | ALA | 0 | 0.023 | 0.018 | 8.121 | -1.232 | -1.232 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 622 | LYS | 1 | 0.871 | 0.956 | 11.045 | 42.544 | 42.544 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 623 | GLU | -1 | -0.759 | -0.848 | 12.436 | -27.993 | -27.993 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 624 | ILE | 0 | -0.067 | -0.035 | 15.842 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 625 | ASP | -1 | -0.825 | -0.890 | 18.431 | -22.539 | -22.539 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 626 | ILE | 0 | 0.068 | 0.018 | 22.042 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 627 | SER | 0 | -0.057 | -0.041 | 24.497 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 628 | CYS | 0 | -0.067 | -0.036 | 21.549 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 629 | VAL | 0 | -0.008 | -0.009 | 21.540 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 630 | LYS | 1 | 0.845 | 0.942 | 24.133 | 22.818 | 22.818 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 631 | ILE | 0 | 0.013 | 0.004 | 26.281 | -0.713 | -0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 632 | GLU | -1 | -0.942 | -0.966 | 28.104 | -18.838 | -18.838 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 633 | GLN | 0 | -0.037 | -0.028 | 29.540 | 1.051 | 1.051 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 634 | VAL | 0 | 0.017 | 0.011 | 29.311 | -0.839 | -0.839 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 635 | ILE | 0 | -0.067 | -0.031 | 27.005 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 636 | GLY | 0 | 0.025 | 0.002 | 29.166 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 637 | ALA | 0 | -0.013 | 0.001 | 29.330 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 638 | GLY | 0 | 0.036 | 0.009 | 26.416 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 639 | GLU | -1 | -0.957 | -0.968 | 24.961 | -23.953 | -23.953 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 640 | PHE | 0 | 0.002 | -0.017 | 23.144 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 641 | GLY | 0 | 0.016 | 0.006 | 26.741 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 642 | GLU | -1 | -0.924 | -0.942 | 28.117 | -19.305 | -19.305 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 643 | VAL | 0 | 0.000 | -0.004 | 23.788 | -1.037 | -1.037 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 644 | CYS | 0 | -0.003 | 0.007 | 25.190 | 1.209 | 1.209 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 645 | SER | 0 | 0.037 | 0.025 | 24.687 | -1.014 | -1.014 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 646 | GLY | 0 | 0.043 | 0.011 | 24.850 | 0.799 | 0.799 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 647 | HIS | 0 | -0.019 | 0.001 | 24.119 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 648 | LEU | 0 | 0.016 | 0.020 | 17.504 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 649 | LYS | 1 | 0.806 | 0.871 | 21.883 | 21.293 | 21.293 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 650 | LEU | 0 | 0.021 | 0.005 | 21.474 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 651 | PRO | 0 | 0.026 | 0.014 | 16.226 | -0.649 | -0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 652 | GLY | 0 | 0.083 | 0.046 | 15.720 | -2.499 | -2.499 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 653 | LYS | 1 | 0.901 | 0.944 | 17.544 | 25.587 | 25.587 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 654 | ARG | 1 | 0.861 | 0.919 | 20.701 | 26.168 | 26.168 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 655 | GLU | -1 | -0.790 | -0.882 | 21.746 | -22.598 | -22.598 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 656 | ILE | 0 | -0.013 | 0.008 | 17.729 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 657 | PHE | 0 | 0.066 | 0.034 | 22.156 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 658 | VAL | 0 | -0.031 | -0.024 | 18.713 | -1.233 | -1.233 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 659 | ALA | 0 | 0.018 | 0.014 | 20.043 | 1.645 | 1.645 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 660 | ILE | 0 | -0.008 | -0.005 | 19.954 | -1.493 | -1.493 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 661 | LYS | 1 | 0.841 | 0.913 | 19.905 | 30.792 | 30.792 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 662 | THR | 0 | -0.004 | -0.019 | 22.470 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 663 | LEU | 0 | -0.055 | 0.000 | 24.119 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 664 | LYS | 1 | 0.908 | 0.953 | 26.110 | 21.691 | 21.691 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 665 | SER | 0 | 0.011 | -0.005 | 29.871 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 666 | GLY | 0 | -0.008 | -0.011 | 32.073 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 667 | TYR | 0 | -0.009 | 0.011 | 27.387 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 668 | THR | 0 | 0.018 | 0.001 | 29.833 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 669 | GLU | -1 | -0.825 | -0.919 | 24.358 | -24.816 | -24.816 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 670 | LYS | 1 | 0.828 | 0.902 | 25.035 | 23.097 | 23.097 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 671 | GLN | 0 | 0.016 | -0.005 | 24.538 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 672 | ARG | 1 | 0.862 | 0.919 | 20.582 | 26.126 | 26.126 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 673 | ARG | 1 | 0.900 | 0.953 | 20.041 | 25.759 | 25.759 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 674 | ASP | -1 | -0.752 | -0.873 | 19.708 | -27.742 | -27.742 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 675 | PHE | 0 | -0.013 | 0.019 | 20.052 | -1.250 | -1.250 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 676 | LEU | 0 | -0.001 | -0.009 | 17.402 | -1.088 | -1.088 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 677 | SER | 0 | -0.035 | -0.022 | 15.902 | -2.431 | -2.431 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 678 | GLU | -1 | -0.699 | -0.816 | 14.625 | -34.765 | -34.765 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 679 | ALA | 0 | -0.016 | -0.017 | 13.648 | -2.843 | -2.843 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 680 | SER | 0 | -0.062 | -0.041 | 11.386 | -3.271 | -3.271 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 681 | ILE | 0 | -0.005 | 0.012 | 10.249 | -4.899 | -4.899 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 682 | MET | 0 | -0.004 | -0.003 | 9.376 | -4.993 | -4.993 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 683 | GLY | 0 | 0.022 | 0.005 | 8.376 | -3.478 | -3.478 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 684 | GLN | 0 | -0.092 | -0.042 | 5.250 | -12.902 | -12.902 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 687 | HIS | 0 | 0.030 | 0.001 | 6.376 | -1.552 | -1.552 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 688 | PRO | 0 | -0.018 | -0.010 | 9.515 | 3.202 | 3.202 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 689 | ASN | 0 | -0.062 | -0.035 | 12.946 | 2.129 | 2.129 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 690 | VAL | 0 | 0.000 | 0.001 | 10.032 | 1.366 | 1.366 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 691 | ILE | 0 | -0.019 | -0.003 | 12.554 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 692 | HIS | 0 | -0.054 | -0.029 | 9.363 | -6.020 | -6.020 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 693 | LEU | 0 | 0.016 | 0.003 | 10.272 | 4.074 | 4.074 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 694 | GLU | -1 | -0.907 | -0.948 | 11.076 | -39.878 | -39.878 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 695 | GLY | 0 | -0.021 | -0.037 | 13.243 | -0.922 | -0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 696 | VAL | 0 | 0.005 | 0.010 | 14.160 | 1.017 | 1.017 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 697 | VAL | 0 | -0.030 | 0.000 | 16.895 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 698 | THR | 0 | -0.031 | -0.062 | 18.189 | 0.909 | 0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 699 | LYS | 1 | 0.912 | 0.962 | 19.345 | 29.302 | 29.302 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 700 | SER | 0 | -0.031 | -0.025 | 23.285 | 1.087 | 1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 701 | THR | 0 | -0.035 | 0.009 | 25.588 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 702 | PRO | 0 | 0.027 | 0.000 | 26.882 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 703 | VAL | 0 | 0.022 | 0.014 | 21.670 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 704 | MET | 0 | -0.057 | -0.039 | 21.734 | 0.685 | 0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 705 | ILE | 0 | 0.017 | 0.022 | 16.086 | -1.273 | -1.273 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 706 | ILE | 0 | -0.035 | -0.016 | 16.935 | 1.667 | 1.667 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 707 | THR | 0 | 0.024 | 0.005 | 14.897 | -2.316 | -2.316 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 708 | GLU | -1 | -0.753 | -0.852 | 14.872 | -35.845 | -35.845 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 709 | PHE | 0 | -0.015 | -0.009 | 17.332 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 710 | MET | 0 | -0.054 | -0.011 | 19.015 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 711 | GLU | -1 | -0.914 | -0.971 | 21.957 | -21.824 | -21.824 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 712 | ASN | 0 | -0.046 | -0.022 | 25.286 | 1.418 | 1.418 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 713 | GLY | 0 | 0.015 | 0.022 | 25.241 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 714 | SER | 0 | -0.009 | -0.017 | 24.702 | -0.825 | -0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 715 | LEU | 0 | 0.008 | -0.003 | 23.612 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 716 | ASP | -1 | -0.791 | -0.900 | 26.254 | -20.819 | -20.819 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 717 | SER | 0 | -0.030 | -0.024 | 28.912 | 1.084 | 1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 718 | PHE | 0 | 0.007 | 0.010 | 28.355 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 719 | LEU | 0 | -0.028 | -0.006 | 28.262 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 720 | ARG | 1 | 0.888 | 0.942 | 31.577 | 19.782 | 19.782 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 721 | GLN | 0 | -0.082 | -0.033 | 32.895 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 722 | ASN | 0 | -0.092 | -0.049 | 32.732 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 723 | ASP | -1 | -0.841 | -0.927 | 35.280 | -16.815 | -16.815 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 724 | GLY | 0 | 0.016 | 0.012 | 36.606 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 725 | GLN | 0 | -0.121 | -0.055 | 35.459 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 726 | PHE | 0 | -0.027 | -0.011 | 31.378 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 727 | THR | 0 | -0.005 | -0.024 | 32.442 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 728 | VAL | 0 | 0.074 | 0.023 | 30.904 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 729 | ILE | 0 | 0.004 | -0.006 | 28.214 | -0.693 | -0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 730 | GLN | 0 | 0.052 | 0.049 | 27.441 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 731 | LEU | 0 | 0.056 | 0.039 | 26.728 | -1.070 | -1.070 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 732 | VAL | 0 | 0.007 | -0.007 | 24.856 | -0.927 | -0.927 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 733 | GLY | 0 | -0.003 | 0.000 | 23.332 | -1.224 | -1.224 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 734 | MET | 0 | -0.013 | -0.005 | 21.974 | -1.480 | -1.480 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 735 | LEU | 0 | 0.026 | 0.021 | 21.387 | -1.546 | -1.546 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 736 | ARG | 1 | 0.813 | 0.887 | 16.226 | 31.215 | 31.215 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 737 | GLY | 0 | 0.024 | 0.001 | 17.603 | -1.887 | -1.887 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 738 | ILE | 0 | 0.035 | 0.014 | 16.342 | -2.509 | -2.509 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 739 | ALA | 0 | -0.010 | -0.001 | 16.159 | -1.806 | -1.806 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 740 | ALA | 0 | -0.036 | -0.027 | 13.725 | -1.978 | -1.978 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 741 | GLY | 0 | 0.033 | 0.025 | 11.843 | -3.663 | -3.663 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 742 | MET | 0 | 0.008 | 0.010 | 11.388 | -3.440 | -3.440 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 743 | LYS | 1 | 0.722 | 0.840 | 9.327 | 50.287 | 50.287 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 745 | LEU | 0 | 0.031 | 0.014 | 6.927 | -7.005 | -7.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 746 | ALA | 0 | -0.020 | -0.006 | 8.907 | -1.330 | -1.330 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 747 | ASP | -1 | -0.835 | -0.899 | 5.705 | -57.572 | -57.572 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 749 | ASN | 0 | -0.059 | -0.026 | 5.568 | 3.356 | 3.356 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 750 | TYR | 0 | 0.018 | 0.018 | 9.037 | 2.242 | 2.242 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 751 | VAL | 0 | -0.087 | -0.055 | 10.568 | 1.801 | 1.801 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 752 | HIS | 0 | -0.006 | -0.006 | 14.333 | 1.150 | 1.150 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 753 | ARG | 1 | 0.903 | 0.937 | 16.031 | 32.287 | 32.287 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 754 | ASP | -1 | -0.844 | -0.904 | 19.412 | -23.637 | -23.637 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 755 | LEU | 0 | 0.015 | 0.017 | 17.891 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 756 | ALA | 0 | 0.026 | -0.015 | 20.497 | 1.227 | 1.227 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 757 | ALA | 0 | 0.021 | -0.001 | 22.740 | -0.978 | -0.978 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 758 | ARG | 1 | 0.831 | 0.907 | 24.625 | 23.936 | 23.936 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 759 | ASN | 0 | -0.042 | -0.007 | 20.323 | 0.729 | 0.729 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 760 | ILE | 0 | -0.061 | -0.017 | 18.723 | -1.964 | -1.964 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 761 | LEU | 0 | 0.025 | 0.013 | 19.264 | 1.487 | 1.487 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 762 | VAL | 0 | 0.018 | 0.001 | 20.781 | -1.194 | -1.194 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 763 | ASN | 0 | 0.028 | 0.012 | 19.891 | 1.269 | 1.269 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 764 | SER | 0 | 0.060 | 0.032 | 22.998 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 765 | ASN | 0 | -0.074 | -0.033 | 22.716 | 1.493 | 1.493 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 766 | LEU | 0 | 0.013 | -0.001 | 24.625 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 767 | VAL | 0 | -0.023 | -0.005 | 18.295 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 768 | CYS | 0 | -0.030 | 0.008 | 20.535 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 769 | LYS | 1 | 0.792 | 0.875 | 14.200 | 37.000 | 37.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 770 | VAL | 0 | -0.014 | -0.012 | 14.032 | 1.808 | 1.808 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 771 | SER | 0 | 0.031 | 0.006 | 15.069 | -2.469 | -2.469 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 772 | ASP | -1 | -0.936 | -0.970 | 17.018 | -29.531 | -29.531 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 773 | PHE | -1 | -0.800 | -0.912 | 12.716 | -38.542 | -38.542 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 797 | PRO | 1 | 0.901 | 0.939 | 25.926 | 22.140 | 22.140 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 798 | ILE | 0 | 0.071 | 0.022 | 27.593 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 799 | ARG | 1 | 0.818 | 0.896 | 29.150 | 17.794 | 17.794 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 800 | TRP | 0 | 0.011 | -0.006 | 24.904 | 0.681 | 0.681 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 801 | THR | 0 | -0.047 | -0.001 | 24.469 | -0.735 | -0.735 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 802 | ALA | 0 | 0.053 | 0.045 | 24.038 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 803 | PRO | 0 | 0.077 | 0.030 | 25.979 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 804 | GLU | -1 | -0.808 | -0.888 | 23.645 | -24.021 | -24.021 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 805 | ALA | 0 | -0.053 | -0.024 | 23.518 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 806 | ILE | 0 | -0.003 | 0.008 | 25.488 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 807 | GLN | 0 | -0.021 | -0.004 | 28.920 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 808 | TYR | 0 | -0.044 | -0.035 | 27.630 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 809 | ARG | 1 | 0.957 | 0.983 | 25.349 | 20.547 | 20.547 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 810 | LYS | 1 | 0.927 | 0.976 | 23.066 | 21.517 | 21.517 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 811 | PHE | 0 | 0.004 | 0.001 | 19.517 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 812 | THR | 0 | 0.010 | 0.002 | 17.171 | -0.848 | -0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 813 | SER | 0 | 0.115 | 0.048 | 13.288 | 0.921 | 0.921 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 814 | ALA | 0 | -0.006 | 0.001 | 15.900 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 815 | SER | 0 | -0.040 | -0.014 | 19.136 | 1.679 | 1.679 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 816 | ASP | -1 | -0.713 | -0.861 | 16.058 | -34.231 | -34.231 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 817 | VAL | 0 | -0.043 | -0.016 | 17.839 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 818 | TRP | 0 | 0.024 | 0.019 | 20.127 | 0.847 | 0.847 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 819 | SER | 0 | -0.039 | -0.041 | 21.180 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 820 | TYR | 0 | -0.008 | -0.031 | 19.418 | 0.743 | 0.743 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 821 | GLY | 0 | 0.050 | 0.011 | 21.742 | 0.555 | 0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 822 | ILE | 0 | -0.073 | -0.017 | 25.010 | 0.924 | 0.924 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 823 | VAL | 0 | 0.004 | 0.017 | 22.161 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 824 | MET | 0 | -0.057 | -0.029 | 24.002 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 825 | TRP | 0 | 0.054 | 0.018 | 26.251 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 826 | GLU | -1 | -0.767 | -0.872 | 26.452 | -22.655 | -22.655 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 827 | VAL | 0 | -0.030 | -0.019 | 25.325 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 828 | MET | 0 | -0.037 | -0.020 | 28.663 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 829 | SER | 0 | -0.011 | -0.013 | 31.265 | 0.834 | 0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 830 | TYR | 0 | 0.009 | 0.012 | 32.404 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 831 | GLY | 0 | 0.012 | -0.002 | 30.896 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 832 | GLU | -1 | -0.880 | -0.931 | 31.861 | -16.628 | -16.628 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 833 | ARG | 1 | 0.838 | 0.909 | 32.813 | 16.671 | 16.671 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 834 | PRO | 0 | -0.001 | -0.005 | 29.804 | 0.506 | 0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 835 | TYR | 0 | 0.002 | -0.019 | 31.014 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 836 | TRP | 0 | 0.073 | 0.040 | 36.169 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 837 | ASP | -1 | -0.894 | -0.944 | 37.860 | -15.427 | -15.427 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 838 | MET | 0 | -0.055 | 0.015 | 38.117 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 839 | THR | 0 | 0.018 | -0.022 | 38.249 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 840 | ASN | 0 | -0.003 | -0.031 | 34.454 | -0.414 | -0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 841 | GLN | 0 | -0.004 | 0.015 | 36.048 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 842 | ASP | -1 | -0.754 | -0.847 | 38.674 | -15.125 | -15.125 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 843 | VAL | 0 | -0.003 | 0.000 | 33.217 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 844 | ILE | 0 | -0.059 | -0.017 | 33.625 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 845 | ASN | 0 | 0.006 | -0.013 | 35.588 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 846 | ALA | 0 | 0.001 | 0.003 | 37.442 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 847 | ILE | 0 | -0.060 | -0.027 | 31.692 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 848 | GLU | -1 | -0.910 | -0.963 | 35.036 | -16.540 | -16.540 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 849 | GLN | 0 | -0.096 | -0.041 | 36.861 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 850 | ASP | -1 | -0.888 | -0.934 | 35.627 | -16.756 | -16.756 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 851 | TYR | 0 | 0.044 | 0.033 | 36.709 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 852 | ARG | 1 | 0.803 | 0.889 | 31.142 | 18.037 | 18.037 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 853 | LEU | 0 | -0.005 | 0.018 | 31.875 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 854 | PRO | 0 | 0.017 | 0.020 | 34.603 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 855 | PRO | 0 | 0.023 | 0.003 | 34.717 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 856 | PRO | 0 | -0.010 | -0.008 | 32.807 | 0.439 | 0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 857 | MET | 0 | 0.011 | 0.001 | 36.096 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 858 | ASP | -1 | -0.906 | -0.948 | 37.237 | -15.836 | -15.836 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 859 | CYS | 0 | -0.054 | -0.015 | 32.620 | -0.736 | -0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 860 | PRO | 0 | -0.055 | -0.016 | 32.612 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 861 | SER | 0 | 0.031 | -0.019 | 33.223 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 862 | ALA | 0 | -0.045 | -0.022 | 30.801 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 863 | LEU | 0 | -0.008 | -0.025 | 27.133 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 864 | HIS | 0 | 0.017 | -0.008 | 28.974 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 865 | GLN | 0 | -0.035 | -0.018 | 29.967 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 866 | LEU | 0 | 0.009 | -0.001 | 23.239 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 867 | MET | 0 | -0.014 | 0.006 | 25.996 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 868 | LEU | 0 | 0.023 | 0.010 | 27.781 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 869 | ASP | -1 | -0.904 | -0.942 | 25.994 | -21.145 | -21.145 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 870 | CYS | 0 | -0.099 | -0.059 | 23.363 | -1.084 | -1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 871 | TRP | 0 | 0.000 | 0.000 | 24.774 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 872 | GLN | 0 | 0.060 | 0.030 | 26.639 | 1.145 | 1.145 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 873 | LYS | 1 | 0.879 | 0.932 | 27.551 | 16.645 | 16.645 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 874 | ASP | -1 | -0.840 | -0.921 | 26.397 | -22.450 | -22.450 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 875 | ARG | 1 | 0.980 | 0.976 | 21.340 | 25.368 | 25.368 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 876 | ASN | 0 | -0.110 | -0.065 | 22.393 | -2.050 | -2.050 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 877 | HIS | 0 | -0.041 | -0.018 | 23.484 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 878 | ARG | 1 | 0.735 | 0.866 | 22.260 | 24.487 | 24.487 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 879 | PRO | 0 | -0.021 | 0.014 | 21.141 | -0.904 | -0.904 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 880 | LYS | 1 | 1.017 | 0.977 | 15.537 | 31.669 | 31.669 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 881 | PHE | 0 | 0.088 | 0.031 | 13.880 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 882 | GLY | 0 | 0.007 | 0.011 | 14.727 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 883 | GLN | 0 | 0.014 | 0.011 | 15.202 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 884 | ILE | 0 | 0.035 | 0.043 | 18.362 | 1.224 | 1.224 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 885 | VAL | 0 | 0.043 | 0.023 | 14.949 | 1.121 | 1.121 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 886 | ASN | 0 | -0.060 | -0.044 | 17.070 | 1.094 | 1.094 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 887 | THR | 0 | -0.048 | -0.029 | 20.038 | 1.498 | 1.498 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 888 | LEU | 0 | 0.067 | 0.032 | 20.303 | 0.957 | 0.957 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 889 | ASP | -1 | -0.826 | -0.887 | 19.368 | -29.343 | -29.343 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 890 | LYS | 1 | 0.881 | 0.943 | 22.689 | 24.718 | 24.718 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 891 | MET | 0 | 0.039 | 0.034 | 25.748 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 892 | ILE | 0 | 0.002 | 0.002 | 23.008 | 0.664 | 0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 893 | ARG | 1 | 0.893 | 0.944 | 20.592 | 27.017 | 27.017 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 894 | ASN | 0 | -0.070 | -0.023 | 27.860 | 1.167 | 1.167 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 895 | PRO | 0 | 0.087 | 0.044 | 30.840 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 896 | ASN | 0 | -0.012 | -0.024 | 32.443 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 897 | SER | 0 | -0.057 | -0.038 | 30.933 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 898 | LEU | 0 | -0.022 | -0.012 | 29.483 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 899 | LYS | 1 | 0.897 | 0.954 | 33.537 | 16.804 | 16.804 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 900 | ALA | -1 | -0.764 | -0.831 | 35.965 | -16.547 | -16.547 | 0.000 | 0.000 | 0.000 | 0.000 |