Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623109 | 6b35 RC | 30347 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 DPN 1 H1 DPN 1 3.499 4.976 4.148
2 HA DPN 1 HA DPN 1 4.806 6.169 5.590
3 HB2 DPN 1 HB2 DPN 1 6.719 4.041 6.199
4 HB3 DPN 1 HB3 DPN 1 6.491 4.577 4.509
5 HD1 DPN 1 HD1 DPN 1 7.143 6.750 3.745
6 HD2 DPN 1 HD2 DPN 1 7.481 5.726 7.912
7 HE1 DPN 1 HE1 DPN 1 8.487 8.810 4.133
8 HE2 DPN 1 HE2 DPN 1 8.826 7.788 8.311
9 HZ DPN 1 HZ DPN 1 9.325 9.340 6.420
10 H3 BE2 2 H3 BE2 2 3.190 5.002 9.667
11 HN21 BE2 2 HN21 BE2 2 3.306 3.204 6.388
12 H4 BE2 2 H4 BE2 2 1.955 4.198 11.610
13 H5 BE2 2 H5 BE2 2 0.751 2.037 11.533
14 H6 BE2 2 H6 BE2 2 0.787 0.663 9.508
15 H PHE 3 H PHE 3 0.784 -0.178 7.964
16 HA PHE 3 HA PHE 3 2.309 -0.970 5.585
17 HB2 PHE 3 HB2 PHE 3 1.013 -3.083 5.753
18 HB3 PHE 3 HB3 PHE 3 1.881 -2.683 7.239
19 HD1 PHE 3 HD1 PHE 3 0.718 -2.211 9.302
20 HD2 PHE 3 HD2 PHE 3 -1.483 -2.854 5.656
21 HE1 PHE 3 HE1 PHE 3 -1.391 -2.400 10.613
22 HE2 PHE 3 HE2 PHE 3 -3.593 -3.050 6.959
23 HZ PHE 3 HZ PHE 3 -3.554 -2.811 9.442
24 H DPN 4 H DPN 4 1.571 -1.253 3.625
25 HA DPN 4 HA DPN 4 0.634 -0.499 1.731
26 HB2 DPN 4 HB2 DPN 4 -0.628 1.367 3.518
27 HB3 DPN 4 HB3 DPN 4 -0.143 1.526 1.842
28 HD1 DPN 4 HD1 DPN 4 -2.963 0.432 4.021
29 HD2 DPN 4 HD2 DPN 4 -1.683 1.494 0.052
30 HE1 DPN 4 HE1 DPN 4 -5.339 0.497 3.278
31 HE2 DPN 4 HE2 DPN 4 -4.062 1.580 -0.698
32 HZ DPN 4 HZ DPN 4 -5.893 1.070 0.915
33 H ASN 5 H ASN 5 -0.280 -1.692 0.333
34 HA ASN 5 HA ASN 5 -2.479 -3.493 1.253
35 HB2 ASN 5 HB2 ASN 5 -3.523 -3.245 -0.975
36 HB3 ASN 5 HB3 ASN 5 -3.416 -1.701 -0.129
37 HD21 ASN 5 HD21 ASN 5 -1.848 -0.158 -2.784
38 HD22 ASN 5 HD22 ASN 5 -2.894 -0.079 -1.385
39 H LYS 6 H LYS 6 -2.610 -4.950 -1.181
40 HA LYS 6 HA LYS 6 -0.649 -6.914 -0.662
41 HB2 LYS 6 HB2 LYS 6 -2.891 -7.215 -1.744
42 HB3 LYS 6 HB3 LYS 6 -2.238 -6.502 -3.224
43 HG2 LYS 6 HG2 LYS 6 -0.577 -8.347 -3.365
44 HG3 LYS 6 HG3 LYS 6 -1.266 -9.075 -1.906
45 HD2 LYS 6 HD2 LYS 6 -2.864 -8.547 -4.442
46 HD3 LYS 6 HD3 LYS 6 -2.023 -10.070 -4.115
47 HE2 LYS 6 HE2 LYS 6 -3.355 -10.319 -2.009
48 HE3 LYS 6 HE3 LYS 6 -4.265 -8.858 -2.449
49 HZ1 LYS 6 HZ1 LYS 6 -5.405 -10.891 -3.140
50 HZ2 LYS 6 HZ2 LYS 6 -4.127 -11.328 -4.089
51 HZ3 LYS 6 HZ3 LYS 6 -5.003 -9.980 -4.456
52 H TYR 7 H TYR 7 -0.491 -4.183 -2.925
53 HA TYR 7 HA TYR 7 2.078 -5.328 -3.958
54 HB2 TYR 7 HB2 TYR 7 0.252 -3.329 -5.318
55 HB3 TYR 7 HB3 TYR 7 1.665 -4.133 -6.012
56 HD1 TYR 7 HD1 TYR 7 1.426 -6.929 -5.588
57 HD2 TYR 7 HD2 TYR 7 -1.771 -4.102 -6.178
58 HE1 TYR 7 HE1 TYR 7 -0.053 -8.761 -6.417
59 HE2 TYR 7 HE2 TYR 7 -3.236 -5.941 -7.011
60 HH TYR 7 HH TYR 7 -3.346 -8.147 -7.628
61 H VAL 8 H VAL 8 0.503 -2.360 -2.760
62 HA VAL 8 HA VAL 8 3.123 -0.955 -3.009
63 HB VAL 8 HB VAL 8 0.269 -0.144 -3.310
64 HG11 VAL 8 HG11 VAL 8 0.684 1.031 -1.243
65 HG12 VAL 8 HG12 VAL 8 0.637 2.179 -2.594
66 HG13 VAL 8 HG13 VAL 8 2.202 1.714 -1.891
67 HG21 VAL 8 HG21 VAL 8 1.244 1.457 -4.880
68 HG22 VAL 8 HG22 VAL 8 1.908 -0.168 -5.157
69 HG23 VAL 8 HG23 VAL 8 2.882 1.057 -4.306
70 H ORN 9 H ORN 9 4.076 -0.028 -1.270
71 HA ORN 9 HA ORN 9 3.006 -0.702 1.445
72 HB2 ORN 9 HB2 ORN 9 5.825 -1.040 0.314
73 HB3 ORN 9 HB3 ORN 9 5.476 -1.078 2.052
74 HG2 ORN 9 HG2 ORN 9 3.921 -3.000 1.714
75 HG3 ORN 9 HG3 ORN 9 4.247 -2.952 -0.039
76 HD2 ORN 9 HD2 ORN 9 6.551 -3.608 0.282
77 HD3 ORN 9 HD3 ORN 9 6.478 -3.288 2.028
78 HE1 ORN 9 HE1 ORN 9 4.887 -5.141 2.190
79 HE2 ORN 9 HE2 ORN 9 5.132 -5.497 0.595
80 HE3 ORN 9 3HE ORN 9 6.376 -5.611 1.666
81 H LEU 10 H LEU 10 3.625 0.859 3.143
82 HA LEU 10 HA LEU 10 4.005 3.522 2.016
83 HB2 LEU 10 HB2 LEU 10 1.614 2.319 2.859
84 HB3 LEU 10 HB3 LEU 10 1.973 3.527 4.045
85 HG LEU 10 HG LEU 10 0.421 4.372 2.409
86 HD11 LEU 10 HD11 LEU 10 1.556 6.408 1.655
87 HD12 LEU 10 HD12 LEU 10 3.141 5.672 1.977
88 HD13 LEU 10 HD13 LEU 10 2.011 6.005 3.319
89 HD21 LEU 10 HD21 LEU 10 2.516 3.935 0.245
90 HD22 LEU 10 HD22 LEU 10 0.878 4.593 0.054
91 HD23 LEU 10 HD23 LEU 10 1.099 2.895 0.513
Start of MODEL 2
1 H1 DPN 1 H1 DPN 1 3.377 5.219 4.019
2 HA DPN 1 HA DPN 1 4.682 6.370 5.497
3 HB2 DPN 1 HB2 DPN 1 6.273 3.990 6.250
4 HB3 DPN 1 HB3 DPN 1 6.315 4.713 4.616
5 HD1 DPN 1 HD1 DPN 1 7.178 6.977 4.248
6 HD2 DPN 1 HD2 DPN 1 7.109 5.261 8.194
7 HE1 DPN 1 HE1 DPN 1 8.675 8.795 5.055
8 HE2 DPN 1 HE2 DPN 1 8.616 7.070 9.012
9 HZ DPN 1 HZ DPN 1 9.401 8.844 7.441
10 H3 BE2 2 H3 BE2 2 2.747 5.342 9.563
11 HN21 BE2 2 HN21 BE2 2 3.051 3.430 6.350
12 H4 BE2 2 H4 BE2 2 1.379 4.608 11.442
13 H5 BE2 2 H5 BE2 2 0.104 2.490 11.323
14 H6 BE2 2 H6 BE2 2 0.194 1.093 9.315
15 H PHE 3 H PHE 3 0.327 0.173 7.821
16 HA PHE 3 HA PHE 3 1.819 -0.608 5.407
17 HB2 PHE 3 HB2 PHE 3 1.218 -2.296 7.141
18 HB3 PHE 3 HB3 PHE 3 -0.494 -1.986 6.827
19 HD1 PHE 3 HD1 PHE 3 2.595 -3.548 5.539
20 HD2 PHE 3 HD2 PHE 3 -1.563 -2.766 4.754
21 HE1 PHE 3 HE1 PHE 3 2.622 -5.236 3.694
22 HE2 PHE 3 HE2 PHE 3 -1.539 -4.433 2.912
23 HZ PHE 3 HZ PHE 3 0.557 -5.664 2.366
24 H DPN 4 H DPN 4 1.092 -0.531 3.426
25 HA DPN 4 HA DPN 4 0.120 0.457 1.658
26 HB2 DPN 4 HB2 DPN 4 -1.195 2.003 3.695
27 HB3 DPN 4 HB3 DPN 4 -0.779 2.404 2.041
28 HD1 DPN 4 HD1 DPN 4 -2.348 2.124 0.184
29 HD2 DPN 4 HD2 DPN 4 -3.486 1.246 4.242
30 HE1 DPN 4 HE1 DPN 4 -4.743 2.117 -0.497
31 HE2 DPN 4 HE2 DPN 4 -5.885 1.236 3.569
32 HZ DPN 4 HZ DPN 4 -6.520 1.667 1.195
33 H ASN 5 H ASN 5 -0.697 -0.709 0.154
34 HA ASN 5 HA ASN 5 -3.106 -2.376 0.824
35 HB2 ASN 5 HB2 ASN 5 -3.711 -2.320 -1.507
36 HB3 ASN 5 HB3 ASN 5 -3.481 -0.664 -0.956
37 HD21 ASN 5 HD21 ASN 5 -1.579 -1.759 -4.211
38 HD22 ASN 5 HD22 ASN 5 -3.069 -2.431 -3.602
39 H LYS 6 H LYS 6 -3.154 -4.299 -0.909
40 HA LYS 6 HA LYS 6 -1.394 -6.207 0.046
41 HB2 LYS 6 HB2 LYS 6 -3.534 -6.558 -1.210
42 HB3 LYS 6 HB3 LYS 6 -2.675 -6.190 -2.710
43 HG2 LYS 6 HG2 LYS 6 -1.184 -8.132 -2.315
44 HG3 LYS 6 HG3 LYS 6 -2.086 -8.515 -0.837
45 HD2 LYS 6 HD2 LYS 6 -4.132 -8.845 -2.164
46 HD3 LYS 6 HD3 LYS 6 -3.256 -8.386 -3.638
47 HE2 LYS 6 HE2 LYS 6 -1.668 -10.296 -3.214
48 HE3 LYS 6 HE3 LYS 6 -2.717 -10.808 -1.875
49 HZ1 LYS 6 HZ1 LYS 6 -4.526 -11.029 -3.505
50 HZ2 LYS 6 HZ2 LYS 6 -3.252 -12.003 -3.893
51 HZ3 LYS 6 HZ3 LYS 6 -3.503 -10.603 -4.731
52 H TYR 7 H TYR 7 -0.752 -4.103 -2.768
53 HA TYR 7 HA TYR 7 1.752 -5.661 -3.184
54 HB2 TYR 7 HB2 TYR 7 0.316 -3.839 -5.127
55 HB3 TYR 7 HB3 TYR 7 1.732 -4.841 -5.465
56 HD1 TYR 7 HD1 TYR 7 1.238 -7.472 -4.514
57 HD2 TYR 7 HD2 TYR 7 -1.641 -4.685 -6.101
58 HE1 TYR 7 HE1 TYR 7 -0.268 -9.364 -5.131
59 HE2 TYR 7 HE2 TYR 7 -3.135 -6.587 -6.713
60 HH TYR 7 HH TYR 7 -3.342 -8.863 -6.869
61 H VAL 8 H VAL 8 0.747 -2.626 -1.952
62 HA VAL 8 HA VAL 8 3.534 -1.682 -2.226
63 HB VAL 8 HB VAL 8 1.168 -0.446 -3.451
64 HG11 VAL 8 HG11 VAL 8 1.750 1.896 -2.911
65 HG12 VAL 8 HG12 VAL 8 2.888 1.323 -1.673
66 HG13 VAL 8 HG13 VAL 8 1.138 1.001 -1.511
67 HG21 VAL 8 HG21 VAL 8 4.138 0.187 -3.635
68 HG22 VAL 8 HG22 VAL 8 2.872 0.716 -4.767
69 HG23 VAL 8 HG23 VAL 8 3.267 -1.010 -4.625
70 H ORN 9 H ORN 9 4.387 -0.974 -0.489
71 HA ORN 9 HA ORN 9 2.827 -0.821 2.039
72 HB2 ORN 9 HB2 ORN 9 5.792 -1.163 1.365
73 HB3 ORN 9 HB3 ORN 9 5.244 -0.807 3.011
74 HG2 ORN 9 HG2 ORN 9 3.875 -2.867 3.047
75 HG3 ORN 9 HG3 ORN 9 4.334 -3.220 1.359
76 HD2 ORN 9 HD2 ORN 9 6.637 -3.602 1.968
77 HD3 ORN 9 HD3 ORN 9 6.422 -2.854 3.562
78 HE1 ORN 9 HE1 ORN 9 6.498 -5.200 3.791
79 HE2 ORN 9 HE2 ORN 9 4.961 -4.716 4.135
80 HE3 ORN 9 3HE ORN 9 5.300 -5.446 2.691
81 H LEU 10 H LEU 10 3.080 1.071 3.413
82 HA LEU 10 HA LEU 10 3.881 3.494 2.002
83 HB2 LEU 10 HB2 LEU 10 1.329 2.645 2.815
84 HB3 LEU 10 HB3 LEU 10 1.734 3.982 3.841
85 HG LEU 10 HG LEU 10 0.397 4.727 1.991
86 HD11 LEU 10 HD11 LEU 10 2.136 6.292 2.752
87 HD12 LEU 10 HD12 LEU 10 1.803 6.480 1.022
88 HD13 LEU 10 HD13 LEU 10 3.272 5.630 1.546
89 HD21 LEU 10 HD21 LEU 10 1.014 4.507 -0.337
90 HD22 LEU 10 HD22 LEU 10 0.979 2.893 0.402
91 HD23 LEU 10 HD23 LEU 10 2.535 3.693 0.084
Start of MODEL 3
1 H1 DPN 1 H1 DPN 1 2.888 4.879 3.906
2 HA DPN 1 HA DPN 1 3.962 5.985 5.583
3 HB2 DPN 1 HB2 DPN 1 5.809 3.778 6.225
4 HB3 DPN 1 HB3 DPN 1 5.825 4.605 4.643
5 HD1 DPN 1 HD1 DPN 1 6.525 4.955 8.242
6 HD2 DPN 1 HD2 DPN 1 6.256 7.039 4.486
7 HE1 DPN 1 HE1 DPN 1 7.732 6.896 9.237
8 HE2 DPN 1 HE2 DPN 1 7.458 8.986 5.472
9 HZ DPN 1 HZ DPN 1 8.194 8.922 7.852
10 H3 BE2 2 H3 BE2 2 2.296 4.341 9.569
11 HN21 BE2 2 HN21 BE2 2 2.910 2.682 6.255
12 H4 BE2 2 H4 BE2 2 0.950 3.370 11.345
13 H5 BE2 2 H5 BE2 2 -0.150 1.176 11.041
14 H6 BE2 2 H6 BE2 2 0.107 -0.063 8.952
15 H PHE 3 H PHE 3 0.099 -0.680 7.328
16 HA PHE 3 HA PHE 3 1.727 -1.417 4.993
17 HB2 PHE 3 HB2 PHE 3 -0.774 -2.708 6.161
18 HB3 PHE 3 HB3 PHE 3 0.266 -3.405 4.913
19 HD1 PHE 3 HD1 PHE 3 -0.266 -2.943 8.478
20 HD2 PHE 3 HD2 PHE 3 2.647 -4.060 5.512
21 HE1 PHE 3 HE1 PHE 3 1.115 -4.017 10.248
22 HE2 PHE 3 HE2 PHE 3 4.036 -5.143 7.279
23 HZ PHE 3 HZ PHE 3 3.272 -5.117 9.652
24 H DPN 4 H DPN 4 1.155 -1.131 2.971
25 HA DPN 4 HA DPN 4 0.323 -0.004 1.209
26 HB2 DPN 4 HB2 DPN 4 -1.022 1.465 3.233
27 HB3 DPN 4 HB3 DPN 4 -0.656 1.909 1.577
28 HD1 DPN 4 HD1 DPN 4 -2.293 1.617 -0.245
29 HD2 DPN 4 HD2 DPN 4 -3.290 0.767 3.854
30 HE1 DPN 4 HE1 DPN 4 -4.714 1.646 -0.831
31 HE2 DPN 4 HE2 DPN 4 -5.709 0.793 3.280
32 HZ DPN 4 HZ DPN 4 -6.429 1.230 0.933
33 H ASN 5 H ASN 5 -0.499 -0.929 -0.473
34 HA ASN 5 HA ASN 5 -2.937 -2.634 -0.057
35 HB2 ASN 5 HB2 ASN 5 -3.340 -2.436 -2.452
36 HB3 ASN 5 HB3 ASN 5 -3.218 -0.835 -1.730
37 HD21 ASN 5 HD21 ASN 5 -0.908 -1.662 -4.835
38 HD22 ASN 5 HD22 ASN 5 -2.352 -2.546 -4.408
39 H LYS 6 H LYS 6 -2.873 -4.462 -1.902
40 HA LYS 6 HA LYS 6 -1.140 -6.402 -0.897
41 HB2 LYS 6 HB2 LYS 6 -2.885 -6.142 -3.296
42 HB3 LYS 6 HB3 LYS 6 -1.618 -7.364 -3.395
43 HG2 LYS 6 HG2 LYS 6 -3.543 -8.479 -2.597
44 HG3 LYS 6 HG3 LYS 6 -2.447 -8.325 -1.216
45 HD2 LYS 6 HD2 LYS 6 -3.765 -6.352 -0.425
46 HD3 LYS 6 HD3 LYS 6 -4.882 -6.576 -1.785
47 HE2 LYS 6 HE2 LYS 6 -4.321 -8.599 0.425
48 HE3 LYS 6 HE3 LYS 6 -5.753 -7.559 0.320
49 HZ1 LYS 6 HZ1 LYS 6 -6.206 -9.778 -0.521
50 HZ2 LYS 6 HZ2 LYS 6 -5.010 -9.653 -1.650
51 HZ3 LYS 6 HZ3 LYS 6 -6.342 -8.684 -1.747
52 H TYR 7 H TYR 7 -0.355 -4.113 -3.461
53 HA TYR 7 HA TYR 7 2.128 -5.688 -3.948
54 HB2 TYR 7 HB2 TYR 7 0.801 -3.729 -5.832
55 HB3 TYR 7 HB3 TYR 7 2.122 -4.850 -6.191
56 HD1 TYR 7 HD1 TYR 7 -1.252 -4.356 -6.769
57 HD2 TYR 7 HD2 TYR 7 1.391 -7.449 -5.348
58 HE1 TYR 7 HE1 TYR 7 -2.932 -6.093 -7.396
59 HE2 TYR 7 HE2 TYR 7 -0.303 -9.171 -5.970
60 HH TYR 7 HH TYR 7 -3.394 -8.333 -7.531
61 H VAL 8 H VAL 8 1.059 -2.728 -2.602
62 HA VAL 8 HA VAL 8 3.827 -1.714 -2.766
63 HB VAL 8 HB VAL 8 1.461 -0.497 -4.016
64 HG11 VAL 8 HG11 VAL 8 1.951 1.834 -3.407
65 HG12 VAL 8 HG12 VAL 8 3.114 1.279 -2.185
66 HG13 VAL 8 HG13 VAL 8 1.380 0.893 -2.021
67 HG21 VAL 8 HG21 VAL 8 3.600 -0.986 -5.156
68 HG22 VAL 8 HG22 VAL 8 4.422 0.204 -4.117
69 HG23 VAL 8 HG23 VAL 8 3.167 0.734 -5.264
70 H ORN 9 H ORN 9 4.615 -1.074 -0.983
71 HA ORN 9 HA ORN 9 3.108 -1.053 1.554
72 HB2 ORN 9 HB2 ORN 9 6.027 -0.893 0.694
73 HB3 ORN 9 HB3 ORN 9 5.571 -0.363 2.319
74 HG2 ORN 9 HG2 ORN 9 4.574 -2.596 2.797
75 HG3 ORN 9 HG3 ORN 9 4.977 -3.131 1.152
76 HD2 ORN 9 HD2 ORN 9 6.690 -3.999 2.605
77 HD3 ORN 9 HD3 ORN 9 7.420 -2.677 1.675
78 HE1 ORN 9 HE1 ORN 9 6.417 -2.482 4.449
79 HE2 ORN 9 HE2 ORN 9 8.002 -2.550 3.999
80 HE3 ORN 9 3HE ORN 9 7.082 -1.242 3.589
81 H LEU 10 H LEU 10 3.015 0.847 2.932
82 HA LEU 10 HA LEU 10 3.845 3.376 1.743
83 HB2 LEU 10 HB2 LEU 10 1.337 2.756 1.590
84 HB3 LEU 10 HB3 LEU 10 1.286 3.159 3.290
85 HG LEU 10 HG LEU 10 1.330 5.410 2.879
86 HD11 LEU 10 HD11 LEU 10 2.882 4.956 0.289
87 HD12 LEU 10 HD12 LEU 10 3.526 5.634 1.807
88 HD13 LEU 10 HD13 LEU 10 2.313 6.535 0.881
89 HD21 LEU 10 HD21 LEU 10 -0.562 4.395 1.684
90 HD22 LEU 10 HD22 LEU 10 0.429 4.296 0.208
91 HD23 LEU 10 HD23 LEU 10 -0.012 5.880 0.884
Start of MODEL 4
1 H1 DPN 1 H1 DPN 1 3.180 4.910 3.752
2 HA DPN 1 HA DPN 1 4.424 6.246 5.120
3 HB2 DPN 1 HB2 DPN 1 6.459 4.174 5.659
4 HB3 DPN 1 HB3 DPN 1 6.203 4.888 4.043
5 HD1 DPN 1 HD1 DPN 1 6.486 7.332 3.678
6 HD2 DPN 1 HD2 DPN 1 7.406 5.513 7.468
7 HE1 DPN 1 HE1 DPN 1 7.718 9.388 4.358
8 HE2 DPN 1 HE2 DPN 1 8.648 7.561 8.154
9 HZ DPN 1 HZ DPN 1 8.802 9.507 6.601
10 H3 BE2 2 H3 BE2 2 3.105 5.022 9.349
11 HN21 BE2 2 HN21 BE2 2 3.244 3.173 6.089
12 H4 BE2 2 H4 BE2 2 2.015 4.145 11.347
13 H5 BE2 2 H5 BE2 2 0.971 1.901 11.332
14 H6 BE2 2 H6 BE2 2 1.016 0.520 9.312
15 H PHE 3 H PHE 3 0.974 -0.322 7.751
16 HA PHE 3 HA PHE 3 2.429 -0.967 5.281
17 HB2 PHE 3 HB2 PHE 3 1.299 -3.160 5.437
18 HB3 PHE 3 HB3 PHE 3 2.168 -2.750 6.919
19 HD1 PHE 3 HD1 PHE 3 -1.196 -3.140 5.390
20 HD2 PHE 3 HD2 PHE 3 1.003 -2.382 9.016
21 HE1 PHE 3 HE1 PHE 3 -3.262 -3.522 6.718
22 HE2 PHE 3 HE2 PHE 3 -1.065 -2.757 10.352
23 HZ PHE 3 HZ PHE 3 -3.206 -3.318 9.202
24 H DPN 4 H DPN 4 1.621 -1.111 3.352
25 HA DPN 4 HA DPN 4 0.511 -0.346 1.555
26 HB2 DPN 4 HB2 DPN 4 -0.859 1.268 3.511
27 HB3 DPN 4 HB3 DPN 4 -0.526 1.556 1.814
28 HD1 DPN 4 HD1 DPN 4 -2.129 1.124 0.063
29 HD2 DPN 4 HD2 DPN 4 -3.058 0.284 4.181
30 HE1 DPN 4 HE1 DPN 4 -4.544 0.927 -0.527
31 HE2 DPN 4 HE2 DPN 4 -5.469 0.069 3.599
32 HZ DPN 4 HZ DPN 4 -6.219 0.395 1.241
33 H ASN 5 H ASN 5 -0.135 -1.762 0.269
34 HA ASN 5 HA ASN 5 -2.122 -3.798 1.183
35 HB2 ASN 5 HB2 ASN 5 -3.206 -3.682 -1.038
36 HB3 ASN 5 HB3 ASN 5 -3.334 -2.160 -0.152
37 HD21 ASN 5 HD21 ASN 5 -2.209 -0.429 -2.920
38 HD22 ASN 5 HD22 ASN 5 -3.352 -0.602 -1.609
39 H LYS 6 H LYS 6 -2.161 -5.532 -0.802
40 HA LYS 6 HA LYS 6 0.388 -6.798 -0.569
41 HB2 LYS 6 HB2 LYS 6 -0.568 -8.591 -1.835
42 HB3 LYS 6 HB3 LYS 6 -1.772 -7.980 -0.698
43 HG2 LYS 6 HG2 LYS 6 -2.891 -6.752 -2.537
44 HG3 LYS 6 HG3 LYS 6 -1.672 -7.363 -3.677
45 HD2 LYS 6 HD2 LYS 6 -2.339 -9.693 -3.097
46 HD3 LYS 6 HD3 LYS 6 -3.617 -9.041 -2.046
47 HE2 LYS 6 HE2 LYS 6 -4.629 -7.902 -3.999
48 HE3 LYS 6 HE3 LYS 6 -3.351 -8.561 -5.039
49 HZ1 LYS 6 HZ1 LYS 6 -4.141 -10.783 -4.502
50 HZ2 LYS 6 HZ2 LYS 6 -5.361 -9.887 -5.157
51 HZ3 LYS 6 HZ3 LYS 6 -5.329 -10.176 -3.533
52 H TYR 7 H TYR 7 -0.223 -4.278 -2.641
53 HA TYR 7 HA TYR 7 1.632 -5.394 -4.712
54 HB2 TYR 7 HB2 TYR 7 -0.157 -2.939 -4.878
55 HB3 TYR 7 HB3 TYR 7 0.831 -3.617 -6.173
56 HD1 TYR 7 HD1 TYR 7 0.200 -5.865 -7.172
57 HD2 TYR 7 HD2 TYR 7 -2.361 -3.790 -4.402
58 HE1 TYR 7 HE1 TYR 7 -1.736 -7.250 -7.916
59 HE2 TYR 7 HE2 TYR 7 -4.294 -5.181 -5.157
60 HH TYR 7 HH TYR 7 -4.006 -7.552 -7.801
61 H VAL 8 H VAL 8 0.888 -2.583 -2.640
62 HA VAL 8 HA VAL 8 3.747 -1.943 -2.616
63 HB VAL 8 HB VAL 8 2.412 -0.571 -4.305
64 HG11 VAL 8 HG11 VAL 8 0.743 -0.012 -2.641
65 HG12 VAL 8 HG12 VAL 8 1.488 1.402 -3.422
66 HG13 VAL 8 HG13 VAL 8 1.975 0.922 -1.779
67 HG21 VAL 8 HG21 VAL 8 3.965 1.302 -3.975
68 HG22 VAL 8 HG22 VAL 8 4.800 -0.246 -3.737
69 HG23 VAL 8 HG23 VAL 8 4.336 0.743 -2.330
70 H ORN 9 H ORN 9 4.666 -1.277 -0.867
71 HA ORN 9 HA ORN 9 3.199 -1.170 1.703
72 HB2 ORN 9 HB2 ORN 9 6.096 -1.294 0.795
73 HB3 ORN 9 HB3 ORN 9 5.749 -0.649 2.403
74 HG2 ORN 9 HG2 ORN 9 4.577 -2.741 3.039
75 HG3 ORN 9 HG3 ORN 9 4.798 -3.383 1.398
76 HD2 ORN 9 HD2 ORN 9 6.496 -4.398 2.763
77 HD3 ORN 9 HD3 ORN 9 7.312 -3.198 1.740
78 HE1 ORN 9 HE1 ORN 9 8.059 -3.076 4.014
79 HE2 ORN 9 HE2 ORN 9 7.274 -1.680 3.619
80 HE3 ORN 9 3HE ORN 9 6.527 -2.809 4.563
81 H LEU 10 H LEU 10 3.318 0.765 3.076
82 HA LEU 10 HA LEU 10 3.785 3.272 1.658
83 HB2 LEU 10 HB2 LEU 10 1.363 2.231 2.465
84 HB3 LEU 10 HB3 LEU 10 1.730 3.481 3.644
85 HG LEU 10 HG LEU 10 2.365 4.925 1.559
86 HD11 LEU 10 HD11 LEU 10 2.288 3.128 -0.137
87 HD12 LEU 10 HD12 LEU 10 1.079 4.375 -0.488
88 HD13 LEU 10 HD13 LEU 10 0.573 2.834 0.238
89 HD21 LEU 10 HD21 LEU 10 0.523 5.328 3.033
90 HD22 LEU 10 HD22 LEU 10 -0.474 4.144 2.158
91 HD23 LEU 10 HD23 LEU 10 0.060 5.636 1.349
Start of MODEL 5
1 H1 DPN 1 H1 DPN 1 3.453 4.681 3.761
2 HA DPN 1 HA DPN 1 4.872 5.725 5.211
3 HB2 DPN 1 HB2 DPN 1 6.368 3.290 5.922
4 HB3 DPN 1 HB3 DPN 1 6.360 3.946 4.259
5 HD1 DPN 1 HD1 DPN 1 7.318 4.652 7.782
6 HD2 DPN 1 HD2 DPN 1 7.352 6.105 3.730
7 HE1 DPN 1 HE1 DPN 1 8.925 6.439 8.441
8 HE2 DPN 1 HE2 DPN 1 8.958 7.897 4.380
9 HZ DPN 1 HZ DPN 1 9.741 8.072 6.740
10 H3 BE2 2 H3 BE2 2 2.734 5.039 9.121
11 HN21 BE2 2 HN21 BE2 2 2.890 3.072 5.967
12 H4 BE2 2 H4 BE2 2 1.249 4.502 10.984
13 H5 BE2 2 H5 BE2 2 -0.179 2.482 10.914
14 H6 BE2 2 H6 BE2 2 -0.124 0.984 8.981
15 H PHE 3 H PHE 3 -0.054 0.038 7.515
16 HA PHE 3 HA PHE 3 1.495 -1.074 5.278
17 HB2 PHE 3 HB2 PHE 3 -0.977 -2.079 6.734
18 HB3 PHE 3 HB3 PHE 3 -0.120 -2.963 5.462
19 HD1 PHE 3 HD1 PHE 3 2.158 -3.859 5.854
20 HD2 PHE 3 HD2 PHE 3 -0.091 -1.955 8.991
21 HE1 PHE 3 HE1 PHE 3 3.712 -4.824 7.548
22 HE2 PHE 3 HE2 PHE 3 1.457 -2.911 10.691
23 HZ PHE 3 HZ PHE 3 3.365 -4.345 9.973
24 H DPN 4 H DPN 4 0.947 -1.132 3.276
25 HA DPN 4 HA DPN 4 0.191 -0.299 1.330
26 HB2 DPN 4 HB2 DPN 4 -1.142 1.557 3.045
27 HB3 DPN 4 HB3 DPN 4 -0.636 1.711 1.371
28 HD1 DPN 4 HD1 DPN 4 -3.497 0.888 3.566
29 HD2 DPN 4 HD2 DPN 4 -2.154 1.423 -0.486
30 HE1 DPN 4 HE1 DPN 4 -5.863 0.955 2.798
31 HE2 DPN 4 HE2 DPN 4 -4.524 1.504 -1.264
32 HZ DPN 4 HZ DPN 4 -6.383 1.269 0.381
33 H ASN 5 H ASN 5 -0.528 -1.562 -0.095
34 HA ASN 5 HA ASN 5 -2.845 -3.333 0.559
35 HB2 ASN 5 HB2 ASN 5 -3.610 -3.086 -1.785
36 HB3 ASN 5 HB3 ASN 5 -3.632 -1.552 -0.912
37 HD21 ASN 5 HD21 ASN 5 -1.868 0.002 -3.436
38 HD22 ASN 5 HD22 ASN 5 -3.160 0.023 -2.257
39 H LYS 6 H LYS 6 -2.796 -4.921 -1.687
40 HA LYS 6 HA LYS 6 -0.665 -6.697 -1.014
41 HB2 LYS 6 HB2 LYS 6 -2.565 -6.698 -3.383
42 HB3 LYS 6 HB3 LYS 6 -1.492 -8.028 -2.941
43 HG2 LYS 6 HG2 LYS 6 -2.654 -8.146 -0.705
44 HG3 LYS 6 HG3 LYS 6 -3.807 -6.940 -1.305
45 HD2 LYS 6 HD2 LYS 6 -4.843 -9.063 -1.632
46 HD3 LYS 6 HD3 LYS 6 -4.300 -8.535 -3.237
47 HE2 LYS 6 HE2 LYS 6 -2.281 -9.981 -3.019
48 HE3 LYS 6 HE3 LYS 6 -2.823 -10.491 -1.409
49 HZ1 LYS 6 HZ1 LYS 6 -4.787 -11.462 -2.451
50 HZ2 LYS 6 HZ2 LYS 6 -3.413 -12.110 -3.098
51 HZ3 LYS 6 HZ3 LYS 6 -4.277 -10.989 -3.947
52 H TYR 7 H TYR 7 -0.448 -4.019 -3.123
53 HA TYR 7 HA TYR 7 1.750 -5.384 -4.634
54 HB2 TYR 7 HB2 TYR 7 0.133 -2.922 -5.374
55 HB3 TYR 7 HB3 TYR 7 1.433 -3.639 -6.334
56 HD1 TYR 7 HD1 TYR 7 -2.113 -3.699 -5.606
57 HD2 TYR 7 HD2 TYR 7 1.123 -6.063 -7.179
58 HE1 TYR 7 HE1 TYR 7 -3.755 -5.203 -6.742
59 HE2 TYR 7 HE2 TYR 7 -0.526 -7.559 -8.308
60 HH TYR 7 HH TYR 7 -4.039 -6.983 -8.160
61 H VAL 8 H VAL 8 0.837 -2.411 -2.858
62 HA VAL 8 HA VAL 8 3.738 -1.833 -2.577
63 HB VAL 8 HB VAL 8 1.503 -0.180 -3.666
64 HG11 VAL 8 HG11 VAL 8 3.536 1.021 -1.782
65 HG12 VAL 8 HG12 VAL 8 1.760 0.982 -1.609
66 HG13 VAL 8 HG13 VAL 8 2.505 1.939 -2.901
67 HG21 VAL 8 HG21 VAL 8 3.430 -0.921 -5.030
68 HG22 VAL 8 HG22 VAL 8 4.531 -0.015 -3.965
69 HG23 VAL 8 HG23 VAL 8 3.324 0.851 -4.945
70 H ORN 9 H ORN 9 4.352 -1.667 -0.559
71 HA ORN 9 HA ORN 9 2.442 -1.273 1.676
72 HB2 ORN 9 HB2 ORN 9 4.392 -2.936 1.824
73 HB3 ORN 9 HB3 ORN 9 5.487 -1.541 1.740
74 HG2 ORN 9 HG2 ORN 9 4.037 -0.651 3.800
75 HG3 ORN 9 HG3 ORN 9 3.572 -2.350 3.969
76 HD2 ORN 9 HD2 ORN 9 5.735 -3.010 4.566
77 HD3 ORN 9 HD3 ORN 9 6.501 -1.673 3.677
78 HE1 ORN 9 HE1 ORN 9 6.651 -1.285 6.011
79 HE2 ORN 9 HE2 ORN 9 5.636 -0.158 5.351
80 HE3 ORN 9 3HE ORN 9 5.019 -1.425 6.214
81 H LEU 10 H LEU 10 2.415 0.660 2.872
82 HA LEU 10 HA LEU 10 3.719 2.989 1.705
83 HB2 LEU 10 HB2 LEU 10 1.109 2.472 2.456
84 HB3 LEU 10 HB3 LEU 10 1.719 3.600 3.659
85 HG LEU 10 HG LEU 10 2.671 4.936 1.664
86 HD11 LEU 10 HD11 LEU 10 1.466 4.659 -0.486
87 HD12 LEU 10 HD12 LEU 10 0.657 3.209 0.148
88 HD13 LEU 10 HD13 LEU 10 2.420 3.216 -0.097
89 HD21 LEU 10 HD21 LEU 10 0.542 6.026 1.313
90 HD22 LEU 10 HD22 LEU 10 0.815 5.610 3.013
91 HD23 LEU 10 HD23 LEU 10 -0.294 4.628 2.029
Start of MODEL 6
1 H1 DPN 1 H1 DPN 1 3.383 4.673 3.852
2 HA DPN 1 HA DPN 1 4.814 5.631 5.349
3 HB2 DPN 1 HB2 DPN 1 6.242 3.092 5.882
4 HB3 DPN 1 HB3 DPN 1 6.301 3.948 4.315
5 HD1 DPN 1 HD1 DPN 1 7.274 4.065 7.878
6 HD2 DPN 1 HD2 DPN 1 7.258 6.229 4.158
7 HE1 DPN 1 HE1 DPN 1 8.924 5.681 8.816
8 HE2 DPN 1 HE2 DPN 1 8.906 7.850 5.086
9 HZ DPN 1 HZ DPN 1 9.742 7.579 7.420
10 H3 BE2 2 H3 BE2 2 2.648 4.858 9.204
11 HN21 BE2 2 HN21 BE2 2 2.822 2.922 6.035
12 H4 BE2 2 H4 BE2 2 1.199 4.270 11.079
13 H5 BE2 2 H5 BE2 2 -0.155 2.199 11.023
14 H6 BE2 2 H6 BE2 2 -0.068 0.706 9.088
15 H PHE 3 H PHE 3 -0.028 -0.192 7.603
16 HA PHE 3 HA PHE 3 1.512 -1.288 5.352
17 HB2 PHE 3 HB2 PHE 3 -0.983 -2.308 6.765
18 HB3 PHE 3 HB3 PHE 3 -0.063 -3.191 5.540
19 HD1 PHE 3 HD1 PHE 3 2.299 -3.923 6.038
20 HD2 PHE 3 HD2 PHE 3 -0.286 -2.277 9.060
21 HE1 PHE 3 HE1 PHE 3 3.790 -4.846 7.810
22 HE2 PHE 3 HE2 PHE 3 1.197 -3.193 10.838
23 HZ PHE 3 HZ PHE 3 3.242 -4.477 10.215
24 H DPN 4 H DPN 4 1.011 -1.148 3.350
25 HA DPN 4 HA DPN 4 0.230 -0.218 1.451
26 HB2 DPN 4 HB2 DPN 4 -1.316 1.381 3.281
27 HB3 DPN 4 HB3 DPN 4 -0.728 1.734 1.671
28 HD1 DPN 4 HD1 DPN 4 -2.116 1.710 -0.253
29 HD2 DPN 4 HD2 DPN 4 -3.612 0.282 3.523
30 HE1 DPN 4 HE1 DPN 4 -4.427 1.680 -1.188
31 HE2 DPN 4 HE2 DPN 4 -5.922 0.240 2.596
32 HZ DPN 4 HZ DPN 4 -6.335 0.936 0.237
33 H ASN 5 H ASN 5 -0.780 -1.102 -0.215
34 HA ASN 5 HA ASN 5 -2.926 -3.101 0.405
35 HB2 ASN 5 HB2 ASN 5 -3.537 -2.939 -1.967
36 HB3 ASN 5 HB3 ASN 5 -3.600 -1.353 -1.196
37 HD21 ASN 5 HD21 ASN 5 -1.470 0.077 -3.503
38 HD22 ASN 5 HD22 ASN 5 -2.712 0.246 -2.287
39 H LYS 6 H LYS 6 -2.700 -4.906 -1.519
40 HA LYS 6 HA LYS 6 -0.513 -6.470 -0.628
41 HB2 LYS 6 HB2 LYS 6 -2.220 -6.825 -3.112
42 HB3 LYS 6 HB3 LYS 6 -1.199 -8.063 -2.369
43 HG2 LYS 6 HG2 LYS 6 -2.595 -7.752 -0.248
44 HG3 LYS 6 HG3 LYS 6 -3.729 -6.822 -1.246
45 HD2 LYS 6 HD2 LYS 6 -2.847 -9.690 -1.796
46 HD3 LYS 6 HD3 LYS 6 -4.361 -9.231 -0.994
47 HE2 LYS 6 HE2 LYS 6 -5.034 -7.970 -3.050
48 HE3 LYS 6 HE3 LYS 6 -3.553 -8.534 -3.855
49 HZ1 LYS 6 HZ1 LYS 6 -4.327 -10.809 -3.539
50 HZ2 LYS 6 HZ2 LYS 6 -5.433 -9.941 -4.399
51 HZ3 LYS 6 HZ3 LYS 6 -5.710 -10.282 -2.809
52 H TYR 7 H TYR 7 -0.376 -4.047 -3.052
53 HA TYR 7 HA TYR 7 2.030 -5.379 -4.231
54 HB2 TYR 7 HB2 TYR 7 0.215 -3.298 -5.493
55 HB3 TYR 7 HB3 TYR 7 1.574 -4.130 -6.265
56 HD1 TYR 7 HD1 TYR 7 1.409 -6.636 -6.691
57 HD2 TYR 7 HD2 TYR 7 -1.964 -4.324 -5.347
58 HE1 TYR 7 HE1 TYR 7 -0.131 -8.474 -7.381
59 HE2 TYR 7 HE2 TYR 7 -3.499 -6.174 -6.035
60 HH TYR 7 HH TYR 7 -2.303 -9.160 -7.577
61 H VAL 8 H VAL 8 0.667 -2.278 -3.008
62 HA VAL 8 HA VAL 8 3.407 -1.171 -3.015
63 HB VAL 8 HB VAL 8 0.626 -0.020 -3.436
64 HG11 VAL 8 HG11 VAL 8 1.545 1.349 -1.852
65 HG12 VAL 8 HG12 VAL 8 1.694 2.185 -3.402
66 HG13 VAL 8 HG13 VAL 8 3.122 1.412 -2.669
67 HG21 VAL 8 HG21 VAL 8 1.661 0.961 -5.463
68 HG22 VAL 8 HG22 VAL 8 1.812 -0.807 -5.448
69 HG23 VAL 8 HG23 VAL 8 3.215 0.204 -5.035
70 H ORN 9 H ORN 9 4.176 -1.453 -1.068
71 HA ORN 9 HA ORN 9 2.687 -1.260 1.440
72 HB2 ORN 9 HB2 ORN 9 4.898 -2.529 1.025
73 HB3 ORN 9 HB3 ORN 9 5.688 -0.948 0.928
74 HG2 ORN 9 HG2 ORN 9 4.182 -0.884 3.363
75 HG3 ORN 9 HG3 ORN 9 4.871 -2.514 3.291
76 HD2 ORN 9 HD2 ORN 9 7.105 -1.707 3.279
77 HD3 ORN 9 HD3 ORN 9 6.621 -0.093 2.718
78 HE1 ORN 9 HE1 ORN 9 6.046 -1.177 5.402
79 HE2 ORN 9 HE2 ORN 9 7.219 -0.080 5.035
80 HE3 ORN 9 3HE ORN 9 5.633 0.330 4.844
81 H LEU 10 H LEU 10 2.823 0.577 2.897
82 HA LEU 10 HA LEU 10 3.660 3.120 1.734
83 HB2 LEU 10 HB2 LEU 10 1.129 2.286 2.625
84 HB3 LEU 10 HB3 LEU 10 1.648 3.527 3.708
85 HG LEU 10 HG LEU 10 0.214 4.418 1.980
86 HD11 LEU 10 HD11 LEU 10 3.085 5.326 1.522
87 HD12 LEU 10 HD12 LEU 10 1.999 5.884 2.826
88 HD13 LEU 10 HD13 LEU 10 1.613 6.240 1.135
89 HD21 LEU 10 HD21 LEU 10 0.744 2.727 0.202
90 HD22 LEU 10 HD22 LEU 10 2.273 3.582 -0.107
91 HD23 LEU 10 HD23 LEU 10 0.721 4.404 -0.374
Start of MODEL 7
1 H1 DPN 1 H1 DPN 1 3.173 4.829 3.810
2 HA DPN 1 HA DPN 1 4.489 5.795 5.406
3 HB2 DPN 1 HB2 DPN 1 6.005 3.315 5.947
4 HB3 DPN 1 HB3 DPN 1 6.089 4.196 4.395
5 HD1 DPN 1 HD1 DPN 1 6.831 4.369 8.024
6 HD2 DPN 1 HD2 DPN 1 7.011 6.466 4.269
7 HE1 DPN 1 HE1 DPN 1 8.355 6.056 9.045
8 HE2 DPN 1 HE2 DPN 1 8.533 8.159 5.281
9 HZ DPN 1 HZ DPN 1 9.211 7.955 7.672
10 H3 BE2 2 H3 BE2 2 2.370 4.509 9.275
11 HN21 BE2 2 HN21 BE2 2 2.892 2.757 6.007
12 H4 BE2 2 H4 BE2 2 0.907 3.684 11.036
13 H5 BE2 2 H5 BE2 2 -0.317 1.552 10.764
14 H6 BE2 2 H6 BE2 2 -0.078 0.232 8.723
15 H PHE 3 H PHE 3 0.172 -0.621 7.247
16 HA PHE 3 HA PHE 3 1.690 -1.317 4.828
17 HB2 PHE 3 HB2 PHE 3 -0.589 -2.741 6.248
18 HB3 PHE 3 HB3 PHE 3 0.332 -3.392 4.888
19 HD1 PHE 3 HD1 PHE 3 2.720 -4.041 5.177
20 HD2 PHE 3 HD2 PHE 3 0.306 -2.745 8.499
21 HE1 PHE 3 HE1 PHE 3 4.406 -4.971 6.759
22 HE2 PHE 3 HE2 PHE 3 1.986 -3.671 10.087
23 HZ PHE 3 HZ PHE 3 4.042 -4.784 9.220
24 H DPN 4 H DPN 4 0.983 -1.086 2.847
25 HA DPN 4 HA DPN 4 0.008 -0.007 1.151
26 HB2 DPN 4 HB2 DPN 4 -1.049 1.526 3.179
27 HB3 DPN 4 HB3 DPN 4 -1.117 1.846 1.449
28 HD1 DPN 4 HD1 DPN 4 -3.163 0.983 0.116
29 HD2 DPN 4 HD2 DPN 4 -3.065 1.228 4.411
30 HE1 DPN 4 HE1 DPN 4 -5.655 0.930 0.176
31 HE2 DPN 4 HE2 DPN 4 -5.545 1.165 4.480
32 HZ DPN 4 HZ DPN 4 -6.850 1.024 2.363
33 H ASN 5 H ASN 5 -0.704 -1.029 -0.444
34 HA ASN 5 HA ASN 5 -3.114 -2.778 -0.102
35 HB2 ASN 5 HB2 ASN 5 -3.395 -2.595 -2.535
36 HB3 ASN 5 HB3 ASN 5 -3.381 -0.998 -1.791
37 HD21 ASN 5 HD21 ASN 5 -0.838 0.136 -3.841
38 HD22 ASN 5 HD22 ASN 5 -2.213 0.469 -2.816
39 H LYS 6 H LYS 6 -2.837 -4.606 -2.016
40 HA LYS 6 HA LYS 6 -1.018 -6.430 -0.850
41 HB2 LYS 6 HB2 LYS 6 -2.430 -6.512 -3.537
42 HB3 LYS 6 HB3 LYS 6 -1.588 -7.879 -2.798
43 HG2 LYS 6 HG2 LYS 6 -3.125 -7.750 -0.848
44 HG3 LYS 6 HG3 LYS 6 -4.023 -6.456 -1.671
45 HD2 LYS 6 HD2 LYS 6 -4.465 -7.992 -3.573
46 HD3 LYS 6 HD3 LYS 6 -3.610 -9.288 -2.717
47 HE2 LYS 6 HE2 LYS 6 -6.102 -7.854 -1.698
48 HE3 LYS 6 HE3 LYS 6 -6.089 -9.442 -2.488
49 HZ1 LYS 6 HZ1 LYS 6 -4.717 -10.273 -0.672
50 HZ2 LYS 6 HZ2 LYS 6 -6.129 -9.655 -0.084
51 HZ3 LYS 6 HZ3 LYS 6 -4.728 -8.799 0.068
52 H TYR 7 H TYR 7 -0.246 -4.071 -3.261
53 HA TYR 7 HA TYR 7 2.187 -5.667 -3.971
54 HB2 TYR 7 HB2 TYR 7 0.811 -3.482 -5.569
55 HB3 TYR 7 HB3 TYR 7 2.222 -4.425 -6.071
56 HD1 TYR 7 HD1 TYR 7 -1.413 -4.309 -5.909
57 HD2 TYR 7 HD2 TYR 7 1.944 -6.958 -6.409
58 HE1 TYR 7 HE1 TYR 7 -2.922 -6.051 -6.872
59 HE2 TYR 7 HE2 TYR 7 0.428 -8.688 -7.373
60 HH TYR 7 HH TYR 7 -1.709 -9.211 -7.995
61 H VAL 8 H VAL 8 0.963 -2.410 -3.064
62 HA VAL 8 HA VAL 8 3.775 -1.559 -2.698
63 HB VAL 8 HB VAL 8 1.250 -0.220 -3.701
64 HG11 VAL 8 HG11 VAL 8 3.586 1.134 -2.423
65 HG12 VAL 8 HG12 VAL 8 1.864 1.178 -1.975
66 HG13 VAL 8 HG13 VAL 8 2.399 1.938 -3.480
67 HG21 VAL 8 HG21 VAL 8 4.143 -0.170 -4.662
68 HG22 VAL 8 HG22 VAL 8 2.760 0.612 -5.465
69 HG23 VAL 8 HG23 VAL 8 2.831 -1.159 -5.347
70 H ORN 9 H ORN 9 4.264 -1.627 -0.652
71 HA ORN 9 HA ORN 9 2.404 -1.133 1.561
72 HB2 ORN 9 HB2 ORN 9 4.667 -2.528 1.545
73 HB3 ORN 9 HB3 ORN 9 5.431 -0.938 1.720
74 HG2 ORN 9 HG2 ORN 9 3.645 -0.675 3.725
75 HG3 ORN 9 HG3 ORN 9 3.616 -2.441 3.641
76 HD2 ORN 9 HD2 ORN 9 5.238 -1.910 5.295
77 HD3 ORN 9 HD3 ORN 9 6.182 -2.356 3.859
78 HE1 ORN 9 HE1 ORN 9 5.508 0.439 4.573
79 HE2 ORN 9 HE2 ORN 9 6.917 -0.304 5.020
80 HE3 ORN 9 3HE ORN 9 6.574 -0.070 3.424
81 H LEU 10 H LEU 10 2.562 0.808 2.915
82 HA LEU 10 HA LEU 10 3.692 3.167 1.623
83 HB2 LEU 10 HB2 LEU 10 1.025 2.574 2.268
84 HB3 LEU 10 HB3 LEU 10 1.512 3.794 3.408
85 HG LEU 10 HG LEU 10 0.392 4.818 1.555
86 HD11 LEU 10 HD11 LEU 10 2.283 6.106 2.467
87 HD12 LEU 10 HD12 LEU 10 2.052 6.423 0.741
88 HD13 LEU 10 HD13 LEU 10 3.376 5.365 1.268
89 HD21 LEU 10 HD21 LEU 10 0.801 3.011 -0.113
90 HD22 LEU 10 HD22 LEU 10 2.463 3.609 -0.327
91 HD23 LEU 10 HD23 LEU 10 1.081 4.638 -0.758
Start of MODEL 8
1 H1 DPN 1 H1 DPN 1 3.530 5.065 4.125
2 HA DPN 1 HA DPN 1 4.596 5.948 5.937
3 HB2 DPN 1 HB2 DPN 1 5.863 3.352 6.624
4 HB3 DPN 1 HB3 DPN 1 6.292 4.348 5.207
5 HD1 DPN 1 HD1 DPN 1 7.036 6.753 5.572
6 HD2 DPN 1 HD2 DPN 1 6.575 3.977 8.827
7 HE1 DPN 1 HE1 DPN 1 8.382 8.256 7.033
8 HE2 DPN 1 HE2 DPN 1 7.935 5.465 10.293
9 HZ DPN 1 HZ DPN 1 8.838 7.611 9.400
10 H3 BE2 2 H3 BE2 2 1.790 4.877 9.380
11 HN21 BE2 2 HN21 BE2 2 2.756 2.989 6.284
12 H4 BE2 2 H4 BE2 2 0.019 4.189 10.892
13 H5 BE2 2 H5 BE2 2 -1.264 2.116 10.475
14 H6 BE2 2 H6 BE2 2 -0.762 0.713 8.539
15 H PHE 3 H PHE 3 -0.294 -0.215 7.172
16 HA PHE 3 HA PHE 3 1.550 -1.075 5.042
17 HB2 PHE 3 HB2 PHE 3 -0.992 -2.306 6.196
18 HB3 PHE 3 HB3 PHE 3 -0.023 -3.047 4.918
19 HD1 PHE 3 HD1 PHE 3 -0.178 -2.248 8.524
20 HD2 PHE 3 HD2 PHE 3 2.158 -4.048 5.389
21 HE1 PHE 3 HE1 PHE 3 1.274 -3.332 10.235
22 HE2 PHE 3 HE2 PHE 3 3.599 -5.157 7.093
23 HZ PHE 3 HZ PHE 3 3.165 -4.790 9.520
24 H DPN 4 H DPN 4 1.045 -1.118 2.930
25 HA DPN 4 HA DPN 4 0.377 -0.135 1.038
26 HB2 DPN 4 HB2 DPN 4 -0.711 1.724 2.850
27 HB3 DPN 4 HB3 DPN 4 -0.266 1.923 1.162
28 HD1 DPN 4 HD1 DPN 4 -3.048 1.533 3.513
29 HD2 DPN 4 HD2 DPN 4 -1.953 1.734 -0.641
30 HE1 DPN 4 HE1 DPN 4 -5.423 1.948 2.919
31 HE2 DPN 4 HE2 DPN 4 -4.330 2.183 -1.246
32 HZ DPN 4 HZ DPN 4 -6.071 2.275 0.536
33 H ASN 5 H ASN 5 -0.089 -1.626 -0.195
34 HA ASN 5 HA ASN 5 -2.714 -3.064 0.041
35 HB2 ASN 5 HB2 ASN 5 -1.498 -1.729 -2.366
36 HB3 ASN 5 HB3 ASN 5 -2.385 -3.222 -2.590
37 HD21 ASN 5 HD21 ASN 5 -4.461 0.108 -2.389
38 HD22 ASN 5 HD22 ASN 5 -2.756 0.029 -2.743
39 H LYS 6 H LYS 6 -2.347 -5.095 -1.625
40 HA LYS 6 HA LYS 6 -0.235 -6.657 -0.455
41 HB2 LYS 6 HB2 LYS 6 -1.893 -7.120 -2.962
42 HB3 LYS 6 HB3 LYS 6 -0.850 -8.326 -2.196
43 HG2 LYS 6 HG2 LYS 6 -2.237 -8.137 -0.116
44 HG3 LYS 6 HG3 LYS 6 -3.327 -7.044 -0.994
45 HD2 LYS 6 HD2 LYS 6 -3.762 -8.816 -2.665
46 HD3 LYS 6 HD3 LYS 6 -2.686 -9.914 -1.774
47 HE2 LYS 6 HE2 LYS 6 -4.154 -9.700 0.226
48 HE3 LYS 6 HE3 LYS 6 -5.250 -8.657 -0.701
49 HZ1 LYS 6 HZ1 LYS 6 -6.014 -10.951 -0.676
50 HZ2 LYS 6 HZ2 LYS 6 -4.605 -11.482 -1.350
51 HZ3 LYS 6 HZ3 LYS 6 -5.623 -10.517 -2.219
52 H TYR 7 H TYR 7 0.076 -4.223 -2.702
53 HA TYR 7 HA TYR 7 2.510 -5.480 -3.871
54 HB2 TYR 7 HB2 TYR 7 0.804 -3.469 -5.349
55 HB3 TYR 7 HB3 TYR 7 2.025 -4.572 -5.995
56 HD1 TYR 7 HD1 TYR 7 1.491 -7.137 -5.851
57 HD2 TYR 7 HD2 TYR 7 -1.493 -4.076 -5.326
58 HE1 TYR 7 HE1 TYR 7 -0.308 -8.805 -6.295
59 HE2 TYR 7 HE2 TYR 7 -3.286 -5.758 -5.759
60 HH TYR 7 HH TYR 7 -2.556 -9.156 -6.550
61 H VAL 8 H VAL 8 0.921 -2.288 -3.263
62 HA VAL 8 HA VAL 8 3.569 -1.042 -3.140
63 HB VAL 8 HB VAL 8 1.633 -0.099 -4.497
64 HG11 VAL 8 HG11 VAL 8 0.101 -0.279 -2.614
65 HG12 VAL 8 HG12 VAL 8 0.188 1.348 -3.315
66 HG13 VAL 8 HG13 VAL 8 1.021 0.981 -1.788
67 HG21 VAL 8 HG21 VAL 8 2.452 2.183 -4.154
68 HG22 VAL 8 HG22 VAL 8 3.814 1.048 -4.119
69 HG23 VAL 8 HG23 VAL 8 3.183 1.730 -2.599
70 H ORN 9 H ORN 9 4.254 0.228 -1.346
71 HA ORN 9 HA ORN 9 3.006 -0.541 1.260
72 HB2 ORN 9 HB2 ORN 9 5.917 -0.894 0.370
73 HB3 ORN 9 HB3 ORN 9 5.456 -0.817 2.070
74 HG2 ORN 9 HG2 ORN 9 5.350 -3.105 1.857
75 HG3 ORN 9 HG3 ORN 9 3.701 -2.740 1.334
76 HD2 ORN 9 HD2 ORN 9 4.537 -4.281 -0.279
77 HD3 ORN 9 HD3 ORN 9 4.620 -2.705 -1.081
78 HE1 ORN 9 HE1 ORN 9 6.963 -2.618 -0.482
79 HE2 ORN 9 HE2 ORN 9 6.868 -4.111 0.211
80 HE3 ORN 9 3HE ORN 9 6.626 -3.938 -1.413
81 H LEU 10 H LEU 10 3.392 1.009 2.967
82 HA LEU 10 HA LEU 10 4.239 3.650 2.065
83 HB2 LEU 10 HB2 LEU 10 1.586 2.750 2.335
84 HB3 LEU 10 HB3 LEU 10 1.843 3.877 3.616
85 HG LEU 10 HG LEU 10 0.786 4.955 1.747
86 HD11 LEU 10 HD11 LEU 10 2.317 6.820 1.318
87 HD12 LEU 10 HD12 LEU 10 3.693 5.858 1.897
88 HD13 LEU 10 HD13 LEU 10 2.386 6.328 3.019
89 HD21 LEU 10 HD21 LEU 10 1.602 3.422 -0.037
90 HD22 LEU 10 HD22 LEU 10 3.191 4.221 0.034
91 HD23 LEU 10 HD23 LEU 10 1.753 5.139 -0.463