Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570057 | 2mfm RC | 19555 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 4.738 -4.647 6.056
2 H2 ALA 1 HT2 ALA 1 5.445 -5.887 5.152
3 H3 ALA 1 HT3 ALA 1 4.179 -6.234 6.216
4 HA ALA 1 HA ALA 1 3.435 -6.221 3.920
5 HB1 ALA 1 HB1 ALA 1 1.521 -4.746 4.221
6 HB2 ALA 1 HB2 ALA 1 2.343 -3.927 5.548
7 HB3 ALA 1 HB3 ALA 1 1.870 -5.617 5.714
8 H PHE 2 HN PHE 2 3.348 -5.244 1.949
9 HA PHE 2 HA PHE 2 5.068 -2.897 1.603
10 HB2 PHE 2 HB2 PHE 2 4.062 -4.934 -0.396
11 HB3 PHE 2 HB1 PHE 2 5.079 -3.555 -0.798
12 HD1 PHE 2 HD2 PHE 2 7.407 -3.468 -0.057
13 HD2 PHE 2 HD1 PHE 2 4.959 -6.871 0.676
14 HE1 PHE 2 HE2 PHE 2 9.411 -4.801 0.435
15 HE2 PHE 2 HE1 PHE 2 6.963 -8.211 1.168
16 HZ PHE 2 HZ PHE 2 9.194 -7.172 1.057
17 H ARG 3 HN ARG 3 3.668 -1.286 2.165
18 HA ARG 3 HA ARG 3 0.966 -1.167 1.335
19 HB2 ARG 3 HB2 ARG 3 2.751 0.994 2.450
20 HB3 ARG 3 HB1 ARG 3 1.007 1.111 2.276
21 HG2 ARG 3 HG2 ARG 3 0.654 -0.610 3.882
22 HG3 ARG 3 HG1 ARG 3 2.378 -0.991 3.932
23 HD2 ARG 3 HD2 ARG 3 1.127 1.614 4.782
24 HD3 ARG 3 HD1 ARG 3 1.672 0.340 5.870
25 HE ARG 3 HE ARG 3 3.935 0.769 4.730
26 HH11 ARG 3 HH11 ARG 3 1.522 3.227 5.376
27 HH12 ARG 3 HH12 ARG 3 2.678 4.514 5.506
28 HH21 ARG 3 HH21 ARG 3 5.460 2.450 4.910
29 HH22 ARG 3 HH22 ARG 3 4.926 4.067 5.239
30 HA HZP 4 HA HZP 4 2.275 2.129 -1.857
31 HB HZP 4 HB2 HZP 4 4.844 2.646 -2.396
32 HBA HZP 4 HB1 HZP 4 4.068 3.329 -0.949
33 HG HZP 4 HG3 HZP 4 5.917 2.255 -0.004
34 HD HZP 4 HD3 HZP 4 4.186 1.424 1.271
35 HDA HZP 4 HD2 HZP 4 4.719 -0.117 0.567
36 HOD1 HZP 4 HG2 HZP 4 6.910 0.618 -0.953
37 H THR 5 HN THR 5 3.078 -1.011 -1.774
38 HA THR 5 HA THR 5 4.261 -1.135 -4.457
39 HB THR 5 HB THR 5 3.867 -3.404 -2.501
40 HG1 THR 5 HG1 THR 5 5.407 -1.323 -2.173
41 HG21 THR 5 HG21 THR 5 4.267 -4.068 -4.833
42 HG22 THR 5 HG22 THR 5 5.641 -4.478 -3.806
43 HG23 THR 5 HG23 THR 5 5.720 -3.071 -4.866
44 H ALA 6 HN ALA 6 2.525 -0.773 -5.763
45 HA ALA 6 HA ALA 6 0.499 -0.981 -6.761
46 HB1 ALA 6 HB1 ALA 6 1.381 -3.179 -7.381
47 HB2 ALA 6 HB2 ALA 6 -0.359 -3.244 -7.107
48 HB3 ALA 6 HB3 ALA 6 0.750 -3.861 -5.883
49 HA PRO 7 HA PRO 7 -1.215 -0.455 -2.435
50 HB2 PRO 7 HB2 PRO 7 -2.623 1.827 -3.137
51 HB3 PRO 7 HB1 PRO 7 -1.006 1.798 -2.430
52 HG2 PRO 7 HG2 PRO 7 -1.827 2.076 -5.284
53 HG3 PRO 7 HG1 PRO 7 -0.524 2.898 -4.406
54 HD2 PRO 7 HD2 PRO 7 -0.006 0.876 -6.071
55 HD3 PRO 7 HD1 PRO 7 0.899 1.071 -4.556
56 H GLY 8 HN GLY 8 -2.537 -2.290 -2.649
57 HA2 GLY 8 HA2 GLY 8 -5.075 -1.925 -4.061
58 HA3 GLY 8 HA1 GLY 8 -4.449 -3.441 -3.433
59 H HIS 9 HN HIS 9 -6.043 -4.115 -2.141
60 HA HIS 9 HA HIS 9 -7.738 -2.347 -0.698
61 HB2 HIS 9 HB2 HIS 9 -8.480 -4.531 -1.594
62 HB3 HIS 9 HB1 HIS 9 -7.436 -5.346 -0.438
63 HD1 HIS 9 HD1 HIS 9 -10.537 -3.181 -0.555
64 HD2 HIS 9 HD2 HIS 9 -8.541 -5.750 2.035
65 HE1 HIS 9 HE1 HIS 9 -12.081 -3.505 1.402
66 HE2 HIS 9 HE2 HIS 9 -10.807 -4.969 3.006
67 H SER 10 HN SER 10 -5.108 -4.521 0.293
68 HA SER 10 HA SER 10 -5.349 -3.536 3.021
69 HB2 SER 10 HB2 SER 10 -3.478 -5.650 1.939
70 HB3 SER 10 HB1 SER 10 -3.785 -5.289 3.634
71 HG SER 10 HG SER 10 -6.074 -5.777 3.050
72 HA HZP 11 HA HZP 11 -0.686 -2.324 1.844
73 HB HZP 11 HB2 HZP 11 -1.228 -1.664 -1.006
74 HBA HZP 11 HB1 HZP 11 0.234 -2.354 -0.272
75 HG HZP 11 HG3 HZP 11 -0.591 -4.496 -0.297
76 HD HZP 11 HD3 HZP 11 -2.733 -4.955 0.401
77 HDA HZP 11 HD2 HZP 11 -3.441 -3.694 -0.626
78 HOD1 HZP 11 HG2 HZP 11 -1.144 -4.749 -2.329
79 H GLY 12 HN GLY 12 -2.862 -0.711 -0.497
80 HA2 GLY 12 HA2 GLY 12 -2.148 1.847 0.740
81 HA3 GLY 12 HA1 GLY 12 -2.880 1.634 -0.842
82 H VAL 13 HN VAL 13 -4.569 -0.381 1.022
83 HA VAL 13 HA VAL 13 -6.709 -0.393 1.773
84 HB VAL 13 HB VAL 13 -6.212 2.383 2.856
85 HG11 VAL 13 HG11 VAL 13 -7.896 0.088 3.855
86 HG12 VAL 13 HG12 VAL 13 -8.493 1.547 3.067
87 HG13 VAL 13 HG13 VAL 13 -7.717 1.653 4.647
88 HG21 VAL 13 HG21 VAL 13 -5.286 1.335 4.869
89 HG22 VAL 13 HG22 VAL 13 -4.291 1.004 3.450
90 HG23 VAL 13 HG23 VAL 13 -5.369 -0.241 4.082
91 H GLY 14 HN GLY 14 -6.416 0.293 -0.861
92 HA2 GLY 14 HA2 GLY 14 -7.877 0.957 -2.535
93 HA3 GLY 14 HA1 GLY 14 -8.864 1.752 -1.319
94 H HIS 15 HN HIS 15 -5.583 2.605 -1.148
95 HA HIS 15 HA HIS 15 -6.080 5.012 -2.767
96 HB2 HIS 15 HB2 HIS 15 -6.118 5.577 -0.377
97 HB3 HIS 15 HB1 HIS 15 -4.537 4.833 -0.167
98 HD1 HIS 15 HD1 HIS 15 -2.593 6.358 -0.367
99 HD2 HIS 15 HD2 HIS 15 -5.990 7.920 -2.179
100 HE1 HIS 15 HE1 HIS 15 -1.958 8.676 -1.105
101 HE2 HIS 15 HE2 HIS 15 -4.013 9.587 -2.246
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 1.548 -6.516 -0.191
2 H2 ALA 1 HT2 ALA 1 2.355 -7.847 -0.848
3 H3 ALA 1 HT3 ALA 1 2.927 -6.282 -1.136
4 HA ALA 1 HA ALA 1 2.831 -7.633 1.492
5 HB1 ALA 1 HB1 ALA 1 5.232 -7.763 1.363
6 HB2 ALA 1 HB2 ALA 1 5.230 -6.930 -0.189
7 HB3 ALA 1 HB3 ALA 1 4.532 -8.542 -0.055
8 H PHE 2 HN PHE 2 4.421 -4.922 -0.225
9 HA PHE 2 HA PHE 2 4.564 -3.431 2.250
10 HB2 PHE 2 HB2 PHE 2 5.382 -2.651 -0.556
11 HB3 PHE 2 HB1 PHE 2 5.711 -1.716 0.895
12 HD1 PHE 2 HD1 PHE 2 7.086 -2.887 2.737
13 HD2 PHE 2 HD2 PHE 2 6.912 -4.213 -1.301
14 HE1 PHE 2 HE1 PHE 2 9.184 -4.125 3.057
15 HE2 PHE 2 HE2 PHE 2 9.011 -5.454 -0.987
16 HZ PHE 2 HZ PHE 2 10.161 -5.390 1.185
17 H ARG 3 HN ARG 3 3.783 -1.196 2.372
18 HA ARG 3 HA ARG 3 1.049 -1.050 1.596
19 HB2 ARG 3 HB2 ARG 3 2.841 0.943 2.972
20 HB3 ARG 3 HB1 ARG 3 1.131 1.215 2.676
21 HG2 ARG 3 HG2 ARG 3 0.571 -0.715 4.041
22 HG3 ARG 3 HG1 ARG 3 2.286 -1.040 4.303
23 HD2 ARG 3 HD2 ARG 3 0.859 1.487 5.120
24 HD3 ARG 3 HD1 ARG 3 1.209 0.135 6.198
25 HE ARG 3 HE ARG 3 3.646 0.645 5.441
26 HH11 ARG 3 HH11 ARG 3 1.126 2.999 6.048
27 HH12 ARG 3 HH12 ARG 3 2.227 4.231 6.567
28 HH21 ARG 3 HH21 ARG 3 5.099 2.271 6.116
29 HH22 ARG 3 HH22 ARG 3 4.489 3.818 6.608
30 HA HZP 4 HA HZP 4 2.341 2.382 -1.400
31 HB HZP 4 HB2 HZP 4 4.859 3.199 -1.698
32 HBA HZP 4 HB1 HZP 4 3.937 3.672 -0.254
33 HG HZP 4 HG3 HZP 4 5.804 2.708 0.747
34 HD HZP 4 HD3 HZP 4 4.197 1.487 1.817
35 HDA HZP 4 HD2 HZP 4 4.865 0.127 0.891
36 HOD1 HZP 4 HG2 HZP 4 7.069 1.292 -0.260
37 H THR 5 HN THR 5 2.876 -0.628 -1.689
38 HA THR 5 HA THR 5 4.210 -0.458 -4.314
39 HB THR 5 HB THR 5 4.493 -2.749 -2.359
40 HG1 THR 5 HG1 THR 5 5.680 -0.539 -2.138
41 HG21 THR 5 HG21 THR 5 5.768 -2.252 -5.054
42 HG22 THR 5 HG22 THR 5 4.573 -3.493 -4.679
43 HG23 THR 5 HG23 THR 5 6.181 -3.571 -3.959
44 H ALA 6 HN ALA 6 2.677 -0.767 -5.773
45 HA ALA 6 HA ALA 6 0.713 -1.373 -6.755
46 HB1 ALA 6 HB1 ALA 6 0.278 -3.786 -6.857
47 HB2 ALA 6 HB2 ALA 6 1.437 -4.049 -5.554
48 HB3 ALA 6 HB3 ALA 6 1.987 -3.429 -7.110
49 HA PRO 7 HA PRO 7 -1.141 -1.018 -2.497
50 HB2 PRO 7 HB2 PRO 7 -2.410 1.434 -3.438
51 HB3 PRO 7 HB1 PRO 7 -1.304 1.198 -2.085
52 HG2 PRO 7 HG2 PRO 7 -0.598 2.508 -4.339
53 HG3 PRO 7 HG1 PRO 7 0.558 1.572 -3.374
54 HD2 PRO 7 HD2 PRO 7 -0.832 0.826 -5.919
55 HD3 PRO 7 HD1 PRO 7 0.848 0.529 -5.423
56 H GLY 8 HN GLY 8 -2.634 -2.589 -2.523
57 HA2 GLY 8 HA2 GLY 8 -5.105 -2.139 -4.044
58 HA3 GLY 8 HA1 GLY 8 -4.613 -3.658 -3.310
59 H HIS 9 HN HIS 9 -6.353 -4.064 -2.053
60 HA HIS 9 HA HIS 9 -7.794 -2.067 -0.657
61 HB2 HIS 9 HB2 HIS 9 -7.783 -5.070 -0.448
62 HB3 HIS 9 HB1 HIS 9 -8.820 -4.061 0.550
63 HD1 HIS 9 HD1 HIS 9 -8.948 -5.951 -2.424
64 HD2 HIS 9 HD2 HIS 9 -10.413 -2.230 -1.298
65 HE1 HIS 9 HE1 HIS 9 -10.816 -5.444 -4.026
66 HE2 HIS 9 HE2 HIS 9 -11.820 -3.300 -3.180
67 H SER 10 HN SER 10 -5.241 -4.308 0.363
68 HA SER 10 HA SER 10 -5.495 -3.388 3.099
69 HB2 SER 10 HB2 SER 10 -3.541 -5.365 1.902
70 HB3 SER 10 HB1 SER 10 -3.682 -4.988 3.614
71 HG SER 10 HG SER 10 -5.809 -5.980 2.014
72 HA HZP 11 HA HZP 11 -0.913 -1.858 2.166
73 HB HZP 11 HB2 HZP 11 -1.217 -1.270 -0.728
74 HBA HZP 11 HB1 HZP 11 0.189 -1.916 0.135
75 HG HZP 11 HG3 HZP 11 -0.624 -4.076 0.137
76 HD HZP 11 HD3 HZP 11 -2.858 -4.538 0.487
77 HDA HZP 11 HD2 HZP 11 -3.399 -3.217 -0.564
78 HOD1 HZP 11 HG2 HZP 11 -0.927 -4.437 -1.938
79 H GLY 12 HN GLY 12 -2.952 -0.398 -0.381
80 HA2 GLY 12 HA2 GLY 12 -2.389 2.236 0.732
81 HA3 GLY 12 HA1 GLY 12 -3.134 1.902 -0.825
82 H VAL 13 HN VAL 13 -4.563 0.034 1.555
83 HA VAL 13 HA VAL 13 -6.702 -0.015 2.340
84 HB VAL 13 HB VAL 13 -6.471 2.971 2.743
85 HG11 VAL 13 HG11 VAL 13 -7.881 2.549 4.694
86 HG12 VAL 13 HG12 VAL 13 -7.898 0.827 4.314
87 HG13 VAL 13 HG13 VAL 13 -8.653 1.981 3.213
88 HG21 VAL 13 HG21 VAL 13 -4.416 1.967 3.576
89 HG22 VAL 13 HG22 VAL 13 -5.352 0.801 4.512
90 HG23 VAL 13 HG23 VAL 13 -5.428 2.516 4.914
91 H GLY 14 HN GLY 14 -6.465 0.060 -0.355
92 HA2 GLY 14 HA2 GLY 14 -8.543 0.322 -1.766
93 HA3 GLY 14 HA1 GLY 14 -8.464 2.017 -1.294
94 H HIS 15 HN HIS 15 -5.908 2.687 -1.491
95 HA HIS 15 HA HIS 15 -4.262 1.839 -3.464
96 HB2 HIS 15 HB2 HIS 15 -6.175 2.168 -5.051
97 HB3 HIS 15 HB1 HIS 15 -6.148 3.886 -4.661
98 HD1 HIS 15 HD1 HIS 15 -4.772 5.270 -6.191
99 HD2 HIS 15 HD2 HIS 15 -3.528 1.305 -6.145
100 HE1 HIS 15 HE1 HIS 15 -2.918 5.126 -7.874
101 HE2 HIS 15 HE2 HIS 15 -2.296 2.688 -7.953
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 1.419 -4.780 4.727
2 H2 ALA 1 HT2 ALA 1 2.382 -5.316 6.006
3 H3 ALA 1 HT3 ALA 1 2.505 -6.050 4.486
4 HA ALA 1 HA ALA 1 3.250 -3.269 5.156
5 HB1 ALA 1 HB1 ALA 1 4.971 -5.607 4.340
6 HB2 ALA 1 HB2 ALA 1 4.828 -4.966 5.977
7 HB3 ALA 1 HB3 ALA 1 5.527 -3.972 4.698
8 H PHE 2 HN PHE 2 4.842 -2.590 3.233
9 HA PHE 2 HA PHE 2 4.999 -1.868 1.089
10 HB2 PHE 2 HB2 PHE 2 3.774 -4.571 0.510
11 HB3 PHE 2 HB1 PHE 2 4.434 -3.497 -0.715
12 HD1 PHE 2 HD2 PHE 2 6.882 -2.895 -0.589
13 HD2 PHE 2 HD1 PHE 2 5.147 -6.043 1.688
14 HE1 PHE 2 HE2 PHE 2 9.112 -3.877 -0.258
15 HE2 PHE 2 HE1 PHE 2 7.374 -7.030 2.022
16 HZ PHE 2 HZ PHE 2 9.357 -5.949 1.050
17 H ARG 3 HN ARG 3 3.260 -0.399 1.999
18 HA ARG 3 HA ARG 3 0.551 -0.820 1.254
19 HB2 ARG 3 HB2 ARG 3 1.934 1.710 2.143
20 HB3 ARG 3 HB1 ARG 3 0.195 1.505 1.998
21 HG2 ARG 3 HG2 ARG 3 0.296 -0.283 3.685
22 HG3 ARG 3 HG1 ARG 3 2.023 0.015 3.868
23 HD2 ARG 3 HD2 ARG 3 0.852 1.152 5.629
24 HD3 ARG 3 HD1 ARG 3 1.500 2.352 4.512
25 HE ARG 3 HE ARG 3 -0.984 2.024 3.572
26 HH11 ARG 3 HH11 ARG 3 0.188 2.525 6.833
27 HH12 ARG 3 HH12 ARG 3 -1.240 3.358 7.355
28 HH21 ARG 3 HH21 ARG 3 -2.856 3.141 4.240
29 HH22 ARG 3 HH22 ARG 3 -2.979 3.690 5.889
30 HA HZP 4 HA HZP 4 1.275 2.292 -2.278
31 HB HZP 4 HB2 HZP 4 3.728 3.148 -2.935
32 HBA HZP 4 HB1 HZP 4 2.862 3.858 -1.553
33 HG HZP 4 HG3 HZP 4 4.852 3.198 -0.525
34 HD HZP 4 HD3 HZP 4 3.310 2.228 0.863
35 HDA HZP 4 HD2 HZP 4 4.075 0.730 0.293
36 HOD1 HZP 4 HG2 HZP 4 6.096 1.596 -1.266
37 H THR 5 HN THR 5 2.739 -0.629 -1.854
38 HA THR 5 HA THR 5 3.887 -0.812 -4.546
39 HB THR 5 HB THR 5 3.913 -2.945 -2.416
40 HG1 THR 5 HG1 THR 5 5.022 -0.583 -2.213
41 HG21 THR 5 HG21 THR 5 4.497 -3.669 -4.685
42 HG22 THR 5 HG22 THR 5 5.900 -3.726 -3.616
43 HG23 THR 5 HG23 THR 5 5.724 -2.404 -4.771
44 H ALA 6 HN ALA 6 2.332 -1.168 -6.026
45 HA ALA 6 HA ALA 6 0.420 -1.918 -7.022
46 HB1 ALA 6 HB1 ALA 6 0.070 -4.351 -6.957
47 HB2 ALA 6 HB2 ALA 6 1.217 -4.477 -5.623
48 HB3 ALA 6 HB3 ALA 6 1.768 -3.946 -7.213
49 HA PRO 7 HA PRO 7 -1.428 -1.076 -2.807
50 HB2 PRO 7 HB2 PRO 7 -3.153 0.875 -3.709
51 HB3 PRO 7 HB1 PRO 7 -1.515 1.167 -3.121
52 HG2 PRO 7 HG2 PRO 7 -2.512 0.913 -5.922
53 HG3 PRO 7 HG1 PRO 7 -1.322 2.047 -5.253
54 HD2 PRO 7 HD2 PRO 7 -0.560 -0.100 -6.658
55 HD3 PRO 7 HD1 PRO 7 0.373 0.459 -5.254
56 H GLY 8 HN GLY 8 -2.496 -3.034 -2.662
57 HA2 GLY 8 HA2 GLY 8 -5.115 -3.251 -3.948
58 HA3 GLY 8 HA1 GLY 8 -4.299 -4.509 -3.031
59 H HIS 9 HN HIS 9 -6.053 -4.939 -1.718
60 HA HIS 9 HA HIS 9 -7.503 -2.868 -0.397
61 HB2 HIS 9 HB2 HIS 9 -8.621 -4.936 -0.984
62 HB3 HIS 9 HB1 HIS 9 -7.496 -5.865 0.001
63 HD1 HIS 9 HD1 HIS 9 -10.127 -3.157 0.477
64 HD2 HIS 9 HD2 HIS 9 -8.372 -6.318 2.519
65 HE1 HIS 9 HE1 HIS 9 -11.373 -3.330 2.648
66 HE2 HIS 9 HE2 HIS 9 -10.164 -5.123 3.944
67 H SER 10 HN SER 10 -5.027 -5.195 0.630
68 HA SER 10 HA SER 10 -5.106 -4.235 3.336
69 HB2 SER 10 HB2 SER 10 -3.142 -6.113 2.010
70 HB3 SER 10 HB1 SER 10 -3.252 -5.797 3.738
71 HG SER 10 HG SER 10 -5.450 -6.567 3.605
72 HA HZP 11 HA HZP 11 -0.811 -2.208 1.965
73 HB HZP 11 HB2 HZP 11 -1.599 -1.761 -0.883
74 HBA HZP 11 HB1 HZP 11 0.013 -2.083 -0.202
75 HG HZP 11 HG3 HZP 11 -0.376 -4.364 -0.002
76 HD HZP 11 HD3 HZP 11 -2.438 -5.213 0.584
77 HDA HZP 11 HD2 HZP 11 -3.316 -4.051 -0.431
78 HOD1 HZP 11 HG2 HZP 11 -0.867 -4.925 -2.011
79 H GLY 12 HN GLY 12 -3.339 -1.123 -0.317
80 HA2 GLY 12 HA2 GLY 12 -4.929 0.509 0.927
81 HA3 GLY 12 HA1 GLY 12 -3.443 1.430 1.103
82 H VAL 13 HN VAL 13 -6.057 0.644 -0.950
83 HA VAL 13 HA VAL 13 -5.038 1.358 -3.460
84 HB VAL 13 HB VAL 13 -7.846 1.864 -2.463
85 HG11 VAL 13 HG11 VAL 13 -7.343 2.972 -4.574
86 HG12 VAL 13 HG12 VAL 13 -8.482 1.648 -4.811
87 HG13 VAL 13 HG13 VAL 13 -6.788 1.442 -5.255
88 HG21 VAL 13 HG21 VAL 13 -7.215 -0.449 -2.057
89 HG22 VAL 13 HG22 VAL 13 -6.681 -0.611 -3.729
90 HG23 VAL 13 HG23 VAL 13 -8.388 -0.350 -3.372
91 H GLY 14 HN GLY 14 -6.210 3.283 -0.784
92 HA2 GLY 14 HA2 GLY 14 -5.333 5.716 -2.202
93 HA3 GLY 14 HA1 GLY 14 -6.511 5.699 -0.894
94 H HIS 15 HN HIS 15 -3.760 3.656 -0.730
95 HA HIS 15 HA HIS 15 -1.919 3.557 0.567
96 HB2 HIS 15 HB2 HIS 15 -1.436 5.822 -0.461
97 HB3 HIS 15 HB1 HIS 15 -2.148 6.543 0.975
98 HD1 HIS 15 HD1 HIS 15 1.007 5.560 -0.366
99 HD2 HIS 15 HD2 HIS 15 -0.683 5.577 3.431
100 HE1 HIS 15 HE1 HIS 15 2.941 5.455 1.236
101 HE2 HIS 15 HE2 HIS 15 1.901 5.575 3.526
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 2.998 -0.875 5.113
2 H2 ALA 1 HT2 ALA 1 4.433 0.016 5.108
3 H3 ALA 1 HT3 ALA 1 3.874 -0.683 6.543
4 HA ALA 1 HA ALA 1 5.715 -1.919 5.604
5 HB1 ALA 1 HB1 ALA 1 4.715 -4.108 5.756
6 HB2 ALA 1 HB2 ALA 1 3.114 -3.434 5.467
7 HB3 ALA 1 HB3 ALA 1 3.979 -3.042 6.951
8 H PHE 2 HN PHE 2 2.822 -2.492 3.579
9 HA PHE 2 HA PHE 2 4.539 -2.381 1.209
10 HB2 PHE 2 HB2 PHE 2 3.343 -4.391 0.293
11 HB3 PHE 2 HB1 PHE 2 4.395 -4.734 1.657
12 HD1 PHE 2 HD1 PHE 2 3.394 -5.161 3.901
13 HD2 PHE 2 HD2 PHE 2 1.014 -4.813 0.391
14 HE1 PHE 2 HE1 PHE 2 1.521 -6.252 5.065
15 HE2 PHE 2 HE2 PHE 2 -0.859 -5.903 1.549
16 HZ PHE 2 HZ PHE 2 -0.610 -6.622 3.885
17 H ARG 3 HN ARG 3 2.825 -0.408 2.168
18 HA ARG 3 HA ARG 3 0.244 -0.507 1.039
19 HB2 ARG 3 HB2 ARG 3 1.914 1.887 1.806
20 HB3 ARG 3 HB1 ARG 3 0.214 1.953 1.370
21 HG2 ARG 3 HG2 ARG 3 -0.284 0.448 3.268
22 HG3 ARG 3 HG1 ARG 3 1.415 0.536 3.734
23 HD2 ARG 3 HD2 ARG 3 0.101 2.098 5.037
24 HD3 ARG 3 HD1 ARG 3 1.212 2.965 3.979
25 HE ARG 3 HE ARG 3 -0.842 3.166 2.460
26 HH11 ARG 3 HH11 ARG 3 -1.011 3.048 5.957
27 HH12 ARG 3 HH12 ARG 3 -2.429 4.039 6.047
28 HH21 ARG 3 HH21 ARG 3 -2.713 4.477 2.577
29 HH22 ARG 3 HH22 ARG 3 -3.401 4.843 4.137
30 HA HZP 4 HA HZP 4 1.862 1.991 -2.633
31 HB HZP 4 HB2 HZP 4 4.447 2.520 -3.026
32 HBA HZP 4 HB1 HZP 4 3.514 3.420 -1.811
33 HG HZP 4 HG3 HZP 4 5.245 2.643 -0.480
34 HD HZP 4 HD3 HZP 4 3.537 1.806 0.773
35 HDA HZP 4 HD2 HZP 4 4.149 0.226 0.242
36 HOD1 HZP 4 HG2 HZP 4 6.460 0.966 -1.018
37 H THR 5 HN THR 5 2.797 -1.076 -1.904
38 HA THR 5 HA THR 5 4.136 -1.589 -4.448
39 HB THR 5 HB THR 5 4.267 -3.955 -3.639
40 HG1 THR 5 HG1 THR 5 2.428 -3.178 -1.944
41 HG21 THR 5 HG21 THR 5 6.111 -2.397 -3.263
42 HG22 THR 5 HG22 THR 5 5.948 -3.517 -1.910
43 HG23 THR 5 HG23 THR 5 5.362 -1.860 -1.759
44 H ALA 6 HN ALA 6 2.449 -1.074 -5.854
45 HA ALA 6 HA ALA 6 0.528 -1.297 -7.045
46 HB1 ALA 6 HB1 ALA 6 -0.295 -3.562 -7.463
47 HB2 ALA 6 HB2 ALA 6 0.697 -4.174 -6.141
48 HB3 ALA 6 HB3 ALA 6 1.463 -3.496 -7.578
49 HA PRO 7 HA PRO 7 -1.464 -0.708 -2.863
50 HB2 PRO 7 HB2 PRO 7 -2.675 1.571 -4.327
51 HB3 PRO 7 HB1 PRO 7 -1.899 1.531 -2.740
52 HG2 PRO 7 HG2 PRO 7 -0.657 2.598 -4.834
53 HG3 PRO 7 HG1 PRO 7 0.229 1.645 -3.630
54 HD2 PRO 7 HD2 PRO 7 -0.677 0.863 -6.369
55 HD3 PRO 7 HD1 PRO 7 0.838 0.475 -5.529
56 H GLY 8 HN GLY 8 -2.818 -2.471 -2.968
57 HA2 GLY 8 HA2 GLY 8 -5.380 -2.077 -4.357
58 HA3 GLY 8 HA1 GLY 8 -4.779 -3.604 -3.728
59 H HIS 9 HN HIS 9 -6.097 -4.258 -2.153
60 HA HIS 9 HA HIS 9 -7.535 -2.299 -0.558
61 HB2 HIS 9 HB2 HIS 9 -7.675 -5.315 -0.394
62 HB3 HIS 9 HB1 HIS 9 -8.823 -4.164 0.277
63 HD1 HIS 9 HD1 HIS 9 -8.121 -6.137 -2.706
64 HD2 HIS 9 HD2 HIS 9 -10.328 -2.740 -1.782
65 HE1 HIS 9 HE1 HIS 9 -9.676 -5.793 -4.649
66 HE2 HIS 9 HE2 HIS 9 -10.892 -3.644 -4.139
67 H SER 10 HN SER 10 -5.564 -5.184 0.149
68 HA SER 10 HA SER 10 -5.335 -4.671 2.896
69 HB2 SER 10 HB2 SER 10 -3.564 -6.344 1.105
70 HB3 SER 10 HB1 SER 10 -3.539 -6.376 2.865
71 HG SER 10 HG SER 10 -5.833 -6.935 2.708
72 HA HZP 11 HA HZP 11 -0.829 -2.906 1.767
73 HB HZP 11 HB2 HZP 11 -1.743 -1.560 -0.753
74 HBA HZP 11 HB1 HZP 11 -0.134 -2.201 -0.337
75 HG HZP 11 HG3 HZP 11 -0.777 -4.414 -0.681
76 HD HZP 11 HD3 HZP 11 -2.896 -5.169 -0.166
77 HDA HZP 11 HD2 HZP 11 -3.677 -3.703 -0.793
78 HOD1 HZP 11 HG2 HZP 11 -1.419 -4.372 -2.727
79 H GLY 12 HN GLY 12 -2.917 -0.566 0.056
80 HA2 GLY 12 HA2 GLY 12 -2.865 1.062 2.520
81 HA3 GLY 12 HA1 GLY 12 -2.360 1.743 0.983
82 H VAL 13 HN VAL 13 -4.993 -0.457 0.846
83 HA VAL 13 HA VAL 13 -7.116 -0.162 0.065
84 HB VAL 13 HB VAL 13 -7.261 2.286 1.828
85 HG11 VAL 13 HG11 VAL 13 -9.311 0.210 1.064
86 HG12 VAL 13 HG12 VAL 13 -9.215 1.858 0.447
87 HG13 VAL 13 HG13 VAL 13 -9.587 1.573 2.146
88 HG21 VAL 13 HG21 VAL 13 -7.485 -0.594 2.697
89 HG22 VAL 13 HG22 VAL 13 -7.859 0.810 3.697
90 HG23 VAL 13 HG23 VAL 13 -6.207 0.536 3.145
91 H GLY 14 HN GLY 14 -5.207 0.835 -1.614
92 HA2 GLY 14 HA2 GLY 14 -5.710 2.038 -3.665
93 HA3 GLY 14 HA1 GLY 14 -6.485 3.268 -2.681
94 H HIS 15 HN HIS 15 -4.299 3.172 -0.677
95 HA HIS 15 HA HIS 15 -1.841 3.853 -1.872
96 HB2 HIS 15 HB2 HIS 15 -3.090 5.802 -2.720
97 HB3 HIS 15 HB1 HIS 15 -3.578 6.207 -1.079
98 HD1 HIS 15 HD1 HIS 15 -0.446 5.986 -3.203
99 HD2 HIS 15 HD2 HIS 15 -1.819 7.802 0.277
100 HE1 HIS 15 HE1 HIS 15 1.368 7.584 -2.511
101 HE2 HIS 15 HE2 HIS 15 0.598 8.523 -0.303
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 5.557 -5.971 5.084
2 H2 ALA 1 HT2 ALA 1 4.455 -7.245 5.220
3 H3 ALA 1 HT3 ALA 1 3.971 -5.666 5.577
4 HA ALA 1 HA ALA 1 4.836 -6.606 2.914
5 HB1 ALA 1 HB1 ALA 1 2.500 -6.461 2.267
6 HB2 ALA 1 HB2 ALA 1 2.057 -5.984 3.905
7 HB3 ALA 1 HB3 ALA 1 2.695 -7.599 3.601
8 H PHE 2 HN PHE 2 5.237 -5.005 1.495
9 HA PHE 2 HA PHE 2 5.279 -2.297 2.400
10 HB2 PHE 2 HB2 PHE 2 5.709 -3.463 -0.358
11 HB3 PHE 2 HB1 PHE 2 5.989 -1.778 0.068
12 HD1 PHE 2 HD2 PHE 2 7.710 -1.285 1.875
13 HD2 PHE 2 HD1 PHE 2 7.367 -5.060 -0.051
14 HE1 PHE 2 HE2 PHE 2 9.998 -1.844 2.574
15 HE2 PHE 2 HE1 PHE 2 9.656 -5.626 0.645
16 HZ PHE 2 HZ PHE 2 10.978 -4.011 1.955
17 H ARG 3 HN ARG 3 3.703 -0.874 2.361
18 HA ARG 3 HA ARG 3 1.164 -1.642 1.272
19 HB2 ARG 3 HB2 ARG 3 1.949 0.866 2.750
20 HB3 ARG 3 HB1 ARG 3 0.304 0.394 2.344
21 HG2 ARG 3 HG2 ARG 3 0.799 -1.743 3.669
22 HG3 ARG 3 HG1 ARG 3 2.187 -0.860 4.307
23 HD2 ARG 3 HD2 ARG 3 0.384 -0.577 5.839
24 HD3 ARG 3 HD1 ARG 3 0.612 0.952 4.993
25 HE ARG 3 HE ARG 3 -1.350 -0.724 3.752
26 HH11 ARG 3 HH11 ARG 3 -0.825 1.611 6.302
27 HH12 ARG 3 HH12 ARG 3 -2.488 2.103 6.367
28 HH21 ARG 3 HH21 ARG 3 -3.536 -0.089 3.835
29 HH22 ARG 3 HH22 ARG 3 -4.031 1.146 4.954
30 HA HZP 4 HA HZP 4 1.720 2.322 -1.406
31 HB HZP 4 HB2 HZP 4 4.221 3.231 -1.901
32 HBA HZP 4 HB1 HZP 4 3.289 3.750 -0.481
33 HG HZP 4 HG3 HZP 4 5.239 2.941 0.522
34 HD HZP 4 HD3 HZP 4 3.519 1.860 1.663
35 HDA HZP 4 HD2 HZP 4 4.410 0.443 1.063
36 HOD1 HZP 4 HG2 HZP 4 5.518 0.513 -0.599
37 H THR 5 HN THR 5 2.830 -0.669 -1.725
38 HA THR 5 HA THR 5 3.747 -0.290 -4.502
39 HB THR 5 HB THR 5 4.767 -2.595 -4.246
40 HG1 THR 5 HG1 THR 5 3.479 -2.846 -2.149
41 HG21 THR 5 HG21 THR 5 6.121 -0.555 -4.204
42 HG22 THR 5 HG22 THR 5 6.760 -1.766 -3.093
43 HG23 THR 5 HG23 THR 5 5.838 -0.398 -2.471
44 H ALA 6 HN ALA 6 2.176 -0.705 -5.875
45 HA ALA 6 HA ALA 6 0.312 -1.555 -6.853
46 HB1 ALA 6 HB1 ALA 6 0.054 -3.985 -6.838
47 HB2 ALA 6 HB2 ALA 6 1.198 -4.104 -5.501
48 HB3 ALA 6 HB3 ALA 6 1.741 -3.527 -7.075
49 HA PRO 7 HA PRO 7 -1.904 -0.600 -2.867
50 HB2 PRO 7 HB2 PRO 7 -3.614 0.655 -4.969
51 HB3 PRO 7 HB1 PRO 7 -3.124 1.283 -3.392
52 HG2 PRO 7 HG2 PRO 7 -1.947 2.175 -5.575
53 HG3 PRO 7 HG1 PRO 7 -0.988 1.825 -4.125
54 HD2 PRO 7 HD2 PRO 7 -1.278 0.232 -6.639
55 HD3 PRO 7 HD1 PRO 7 0.163 0.511 -5.641
56 H GLY 8 HN GLY 8 -2.517 -2.802 -2.576
57 HA2 GLY 8 HA2 GLY 8 -4.968 -3.685 -3.869
58 HA3 GLY 8 HA1 GLY 8 -4.040 -4.568 -2.664
59 H HIS 9 HN HIS 9 -6.229 -4.972 -1.772
60 HA HIS 9 HA HIS 9 -7.774 -2.838 -0.727
61 HB2 HIS 9 HB2 HIS 9 -8.655 -5.128 -1.226
62 HB3 HIS 9 HB1 HIS 9 -7.787 -5.722 0.184
63 HD1 HIS 9 HD1 HIS 9 -8.788 -5.222 2.493
64 HD2 HIS 9 HD2 HIS 9 -10.933 -3.568 -0.659
65 HE1 HIS 9 HE1 HIS 9 -10.959 -4.442 3.487
66 HE2 HIS 9 HE2 HIS 9 -12.307 -3.615 1.529
67 H SER 10 HN SER 10 -5.036 -4.592 0.495
68 HA SER 10 HA SER 10 -5.379 -3.302 3.098
69 HB2 SER 10 HB2 SER 10 -4.975 -5.688 3.241
70 HB3 SER 10 HB1 SER 10 -3.514 -5.539 2.280
71 HG SER 10 HG SER 10 -3.958 -4.349 4.822
72 HA HZP 11 HA HZP 11 -0.798 -2.042 1.691
73 HB HZP 11 HB2 HZP 11 -1.338 -2.004 -1.238
74 HBA HZP 11 HB1 HZP 11 0.155 -2.423 -0.373
75 HG HZP 11 HG3 HZP 11 -0.534 -4.576 0.065
76 HD HZP 11 HD3 HZP 11 -2.649 -5.030 0.805
77 HDA HZP 11 HD2 HZP 11 -3.410 -4.052 -0.462
78 HOD1 HZP 11 HG2 HZP 11 -1.102 -5.332 -1.860
79 H GLY 12 HN GLY 12 -3.191 -1.104 -0.802
80 HA2 GLY 12 HA2 GLY 12 -3.080 1.628 0.230
81 HA3 GLY 12 HA1 GLY 12 -2.657 1.353 -1.450
82 H VAL 13 HN VAL 13 -5.224 0.287 0.758
83 HA VAL 13 HA VAL 13 -7.246 0.142 -1.169
84 HB VAL 13 HB VAL 13 -7.488 -0.953 0.975
85 HG11 VAL 13 HG11 VAL 13 -7.946 0.303 3.036
86 HG12 VAL 13 HG12 VAL 13 -7.611 1.807 2.178
87 HG13 VAL 13 HG13 VAL 13 -6.330 0.616 2.402
88 HG21 VAL 13 HG21 VAL 13 -9.587 1.176 0.583
89 HG22 VAL 13 HG22 VAL 13 -9.781 -0.282 1.555
90 HG23 VAL 13 HG23 VAL 13 -9.540 -0.409 -0.187
91 H GLY 14 HN GLY 14 -6.139 2.817 0.830
92 HA2 GLY 14 HA2 GLY 14 -8.052 4.568 -0.579
93 HA3 GLY 14 HA1 GLY 14 -7.446 4.877 1.042
94 H HIS 15 HN HIS 15 -4.711 3.951 0.088
95 HA HIS 15 HA HIS 15 -3.935 5.977 -1.816
96 HB2 HIS 15 HB2 HIS 15 -4.081 7.204 0.375
97 HB3 HIS 15 HB1 HIS 15 -2.836 6.131 0.999
98 HD1 HIS 15 HD1 HIS 15 -0.420 6.550 0.245
99 HD2 HIS 15 HD2 HIS 15 -3.184 9.144 -1.456
100 HE1 HIS 15 HE1 HIS 15 0.935 8.381 -0.817
101 HE2 HIS 15 HE2 HIS 15 -0.766 10.027 -1.679
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 6.925 -7.766 -2.857
2 H2 ALA 1 HT2 ALA 1 5.998 -8.001 -4.249
3 H3 ALA 1 HT3 ALA 1 5.380 -8.435 -2.739
4 HA ALA 1 HA ALA 1 6.047 -5.676 -3.560
5 HB1 ALA 1 HB1 ALA 1 3.355 -7.018 -3.337
6 HB2 ALA 1 HB2 ALA 1 4.150 -6.523 -4.831
7 HB3 ALA 1 HB3 ALA 1 3.629 -5.308 -3.666
8 H PHE 2 HN PHE 2 5.998 -4.207 -1.942
9 HA PHE 2 HA PHE 2 5.436 -5.143 0.755
10 HB2 PHE 2 HB2 PHE 2 6.636 -2.604 -0.337
11 HB3 PHE 2 HB1 PHE 2 6.170 -2.756 1.352
12 HD1 PHE 2 HD1 PHE 2 7.319 -4.382 2.805
13 HD2 PHE 2 HD2 PHE 2 8.610 -3.626 -1.174
14 HE1 PHE 2 HE1 PHE 2 9.490 -5.413 3.320
15 HE2 PHE 2 HE2 PHE 2 10.784 -4.658 -0.666
16 HZ PHE 2 HZ PHE 2 11.227 -5.553 1.582
17 H ARG 3 HN ARG 3 4.277 -3.321 2.150
18 HA ARG 3 HA ARG 3 1.631 -3.367 1.155
19 HB2 ARG 3 HB2 ARG 3 2.806 -2.108 3.622
20 HB3 ARG 3 HB1 ARG 3 1.091 -2.041 3.239
21 HG2 ARG 3 HG2 ARG 3 0.973 -4.467 3.264
22 HG3 ARG 3 HG1 ARG 3 2.703 -4.558 3.599
23 HD2 ARG 3 HD2 ARG 3 2.356 -3.374 5.707
24 HD3 ARG 3 HD1 ARG 3 0.630 -3.271 5.369
25 HE ARG 3 HE ARG 3 1.305 -5.955 5.250
26 HH11 ARG 3 HH11 ARG 3 1.303 -3.396 7.631
27 HH12 ARG 3 HH12 ARG 3 1.070 -4.467 8.973
28 HH21 ARG 3 HH21 ARG 3 0.992 -7.374 6.999
29 HH22 ARG 3 HH22 ARG 3 0.881 -6.742 8.614
30 HA HZP 4 HA HZP 4 1.639 1.358 0.795
31 HB HZP 4 HB2 HZP 4 3.870 2.842 1.140
32 HBA HZP 4 HB1 HZP 4 2.899 2.291 2.523
33 HG HZP 4 HG3 HZP 4 4.985 1.436 3.106
34 HD HZP 4 HD3 HZP 4 3.698 -0.458 3.264
35 HDA HZP 4 HD2 HZP 4 4.784 -1.015 1.974
36 HOD1 HZP 4 HG2 HZP 4 5.944 0.228 0.974
37 H THR 5 HN THR 5 2.273 -0.463 -1.174
38 HA THR 5 HA THR 5 3.185 1.196 -3.328
39 HB THR 5 HB THR 5 4.870 -1.214 -2.573
40 HG1 THR 5 HG1 THR 5 5.074 1.347 -1.887
41 HG21 THR 5 HG21 THR 5 4.567 -1.058 -4.995
42 HG22 THR 5 HG22 THR 5 6.221 -0.648 -4.541
43 HG23 THR 5 HG23 THR 5 5.079 0.629 -4.959
44 H ALA 6 HN ALA 6 2.007 0.617 -5.054
45 HA ALA 6 HA ALA 6 0.408 -0.446 -6.273
46 HB1 ALA 6 HB1 ALA 6 0.731 -2.827 -6.721
47 HB2 ALA 6 HB2 ALA 6 1.858 -2.939 -5.369
48 HB3 ALA 6 HB3 ALA 6 2.269 -1.966 -6.782
49 HA PRO 7 HA PRO 7 -1.784 -0.925 -2.227
50 HB2 PRO 7 HB2 PRO 7 -3.830 0.671 -3.640
51 HB3 PRO 7 HB1 PRO 7 -3.059 0.960 -2.077
52 HG2 PRO 7 HG2 PRO 7 -2.461 2.451 -4.203
53 HG3 PRO 7 HG1 PRO 7 -1.212 1.980 -3.034
54 HD2 PRO 7 HD2 PRO 7 -1.816 0.816 -5.727
55 HD3 PRO 7 HD1 PRO 7 -0.243 1.198 -4.993
56 H GLY 8 HN GLY 8 -3.177 -2.461 -1.662
57 HA2 GLY 8 HA2 GLY 8 -5.281 -3.265 -3.524
58 HA3 GLY 8 HA1 GLY 8 -4.134 -4.500 -3.025
59 H HIS 9 HN HIS 9 -3.868 -4.639 -0.539
60 HA HIS 9 HA HIS 9 -6.574 -5.064 0.426
61 HB2 HIS 9 HB2 HIS 9 -4.978 -6.905 0.601
62 HB3 HIS 9 HB1 HIS 9 -3.917 -5.917 1.595
63 HD1 HIS 9 HD1 HIS 9 -7.406 -7.423 1.733
64 HD2 HIS 9 HD2 HIS 9 -4.378 -6.129 4.270
65 HE1 HIS 9 HE1 HIS 9 -8.146 -8.060 4.051
66 HE2 HIS 9 HE2 HIS 9 -6.241 -7.380 5.553
67 H SER 10 HN SER 10 -3.745 -4.110 2.370
68 HA SER 10 HA SER 10 -5.548 -2.468 3.935
69 HB2 SER 10 HB2 SER 10 -3.476 -2.322 5.470
70 HB3 SER 10 HB1 SER 10 -4.332 -3.856 5.340
71 HG SER 10 HG SER 10 -1.797 -3.140 4.480
72 HA HZP 11 HA HZP 11 -1.802 0.673 2.562
73 HB HZP 11 HB2 HZP 11 -2.116 0.011 -0.279
74 HBA HZP 11 HB1 HZP 11 -0.628 0.284 0.645
75 HG HZP 11 HG3 HZP 11 -0.286 -1.900 0.822
76 HD HZP 11 HD3 HZP 11 -1.358 -2.504 2.694
77 HDA HZP 11 HD2 HZP 11 -2.666 -3.086 1.651
78 HOD1 HZP 11 HG2 HZP 11 -1.236 -3.115 -0.651
79 H GLY 12 HN GLY 12 -4.187 -0.382 0.190
80 HA2 GLY 12 HA2 GLY 12 -6.334 1.146 0.804
81 HA3 GLY 12 HA1 GLY 12 -5.315 2.239 -0.126
82 H VAL 13 HN VAL 13 -7.563 1.893 -1.350
83 HA VAL 13 HA VAL 13 -7.332 -0.332 -3.206
84 HB VAL 13 HB VAL 13 -9.581 0.314 -2.494
85 HG11 VAL 13 HG11 VAL 13 -9.281 2.668 -2.087
86 HG12 VAL 13 HG12 VAL 13 -10.581 2.436 -3.258
87 HG13 VAL 13 HG13 VAL 13 -8.987 2.960 -3.802
88 HG21 VAL 13 HG21 VAL 13 -10.642 0.481 -4.692
89 HG22 VAL 13 HG22 VAL 13 -9.322 -0.688 -4.694
90 HG23 VAL 13 HG23 VAL 13 -9.087 0.908 -5.407
91 H GLY 14 HN GLY 14 -6.699 3.085 -3.011
92 HA2 GLY 14 HA2 GLY 14 -5.087 2.872 -5.438
93 HA3 GLY 14 HA1 GLY 14 -6.341 4.107 -5.411
94 H HIS 15 HN HIS 15 -4.958 3.414 -2.389
95 HA HIS 15 HA HIS 15 -3.668 6.030 -2.385
96 HB2 HIS 15 HB2 HIS 15 -5.265 5.502 -0.578
97 HB3 HIS 15 HB1 HIS 15 -4.263 4.140 -0.096
98 HD1 HIS 15 HD1 HIS 15 -2.219 4.627 1.332
99 HD2 HIS 15 HD2 HIS 15 -4.198 8.051 0.057
100 HE1 HIS 15 HE1 HIS 15 -1.221 6.518 2.655
101 HE2 HIS 15 HE2 HIS 15 -2.356 8.592 1.787
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 0.949 -7.169 4.165
2 H2 ALA 1 HT2 ALA 1 1.200 -7.222 2.495
3 H3 ALA 1 HT3 ALA 1 0.379 -5.914 3.185
4 HA ALA 1 HA ALA 1 2.346 -5.204 4.331
5 HB1 ALA 1 HB1 ALA 1 4.491 -6.332 3.901
6 HB2 ALA 1 HB2 ALA 1 3.637 -7.586 3.005
7 HB3 ALA 1 HB3 ALA 1 3.338 -7.377 4.729
8 H PHE 2 HN PHE 2 4.330 -4.227 3.177
9 HA PHE 2 HA PHE 2 5.068 -2.793 1.583
10 HB2 PHE 2 HB2 PHE 2 4.015 -4.950 -0.258
11 HB3 PHE 2 HB1 PHE 2 5.046 -3.617 -0.766
12 HD1 PHE 2 HD2 PHE 2 7.388 -3.517 -0.041
13 HD2 PHE 2 HD1 PHE 2 4.891 -6.827 0.913
14 HE1 PHE 2 HE2 PHE 2 9.379 -4.853 0.519
15 HE2 PHE 2 HE1 PHE 2 6.873 -8.166 1.473
16 HZ PHE 2 HZ PHE 2 9.121 -7.183 1.276
17 H ARG 3 HN ARG 3 3.185 -1.540 2.481
18 HA ARG 3 HA ARG 3 0.755 -1.405 1.089
19 HB2 ARG 3 HB2 ARG 3 2.021 0.573 2.967
20 HB3 ARG 3 HB1 ARG 3 0.378 0.705 2.357
21 HG2 ARG 3 HG2 ARG 3 -0.030 -1.588 3.346
22 HG3 ARG 3 HG1 ARG 3 1.523 -1.398 4.165
23 HD2 ARG 3 HD2 ARG 3 -0.824 0.479 4.398
24 HD3 ARG 3 HD1 ARG 3 -0.373 -0.741 5.586
25 HE ARG 3 HE ARG 3 1.868 0.809 5.255
26 HH11 ARG 3 HH11 ARG 3 -1.460 1.408 6.167
27 HH12 ARG 3 HH12 ARG 3 -1.064 2.713 7.241
28 HH21 ARG 3 HH21 ARG 3 2.389 2.535 6.652
29 HH22 ARG 3 HH22 ARG 3 1.121 3.368 7.498
30 HA HZP 4 HA HZP 4 2.501 2.521 -1.156
31 HB HZP 4 HB2 HZP 4 5.191 2.671 -1.464
32 HBA HZP 4 HB1 HZP 4 4.360 3.365 -0.055
33 HG HZP 4 HG3 HZP 4 5.904 1.950 0.984
34 HD HZP 4 HD3 HZP 4 3.868 1.392 1.938
35 HDA HZP 4 HD2 HZP 4 4.355 -0.197 1.309
36 HOD1 HZP 4 HG2 HZP 4 6.706 0.188 0.033
37 H THR 5 HN THR 5 2.820 -0.665 -1.605
38 HA THR 5 HA THR 5 3.721 -0.373 -4.395
39 HB THR 5 HB THR 5 4.196 -2.837 -2.712
40 HG1 THR 5 HG1 THR 5 5.342 -0.757 -2.092
41 HG21 THR 5 HG21 THR 5 5.425 -1.907 -5.311
42 HG22 THR 5 HG22 THR 5 4.171 -3.138 -5.164
43 HG23 THR 5 HG23 THR 5 5.769 -3.422 -4.475
44 H ALA 6 HN ALA 6 2.014 -0.660 -5.661
45 HA ALA 6 HA ALA 6 0.113 -1.467 -6.598
46 HB1 ALA 6 HB1 ALA 6 1.466 -3.493 -6.796
47 HB2 ALA 6 HB2 ALA 6 -0.238 -3.875 -6.547
48 HB3 ALA 6 HB3 ALA 6 0.902 -4.025 -5.211
49 HA PRO 7 HA PRO 7 -2.229 -0.486 -2.637
50 HB2 PRO 7 HB2 PRO 7 -4.086 0.866 -4.266
51 HB3 PRO 7 HB1 PRO 7 -2.837 1.595 -3.262
52 HG2 PRO 7 HG2 PRO 7 -2.820 1.012 -6.174
53 HG3 PRO 7 HG1 PRO 7 -2.057 2.342 -5.282
54 HD2 PRO 7 HD2 PRO 7 -0.620 0.310 -6.235
55 HD3 PRO 7 HD1 PRO 7 -0.240 1.041 -4.662
56 H GLY 8 HN GLY 8 -4.026 -1.516 -1.885
57 HA2 GLY 8 HA2 GLY 8 -6.203 -2.303 -3.440
58 HA3 GLY 8 HA1 GLY 8 -5.132 -3.687 -3.286
59 H HIS 9 HN HIS 9 -5.423 -4.965 -1.570
60 HA HIS 9 HA HIS 9 -7.422 -4.223 0.375
61 HB2 HIS 9 HB2 HIS 9 -7.311 -6.504 -0.637
62 HB3 HIS 9 HB1 HIS 9 -5.798 -6.767 0.217
63 HD1 HIS 9 HD1 HIS 9 -9.430 -6.993 0.601
64 HD2 HIS 9 HD2 HIS 9 -6.115 -6.868 3.109
65 HE1 HIS 9 HE1 HIS 9 -10.241 -7.802 2.836
66 HE2 HIS 9 HE2 HIS 9 -8.198 -7.819 4.309
67 H SER 10 HN SER 10 -4.225 -5.762 0.909
68 HA SER 10 HA SER 10 -4.030 -4.556 3.486
69 HB2 SER 10 HB2 SER 10 -2.954 -6.662 3.270
70 HB3 SER 10 HB1 SER 10 -2.056 -6.161 1.851
71 HG SER 10 HG SER 10 -1.706 -5.279 4.525
72 HA HZP 11 HA HZP 11 -1.042 -1.445 1.327
73 HB HZP 11 HB2 HZP 11 -1.429 -1.943 -1.560
74 HBA HZP 11 HB1 HZP 11 0.085 -1.763 -0.653
75 HG HZP 11 HG3 HZP 11 0.141 -3.991 -0.018
76 HD HZP 11 HD3 HZP 11 -1.818 -5.182 0.454
77 HDA HZP 11 HD2 HZP 11 -2.775 -4.247 -0.713
78 HOD1 HZP 11 HG2 HZP 11 -1.266 -4.913 -2.089
79 H GLY 12 HN GLY 12 -1.637 0.673 0.513
80 HA2 GLY 12 HA2 GLY 12 -4.197 1.018 -0.736
81 HA3 GLY 12 HA1 GLY 12 -4.239 1.354 0.988
82 H VAL 13 HN VAL 13 -2.298 2.126 -1.877
83 HA VAL 13 HA VAL 13 -1.366 4.611 -0.874
84 HB VAL 13 HB VAL 13 -1.621 3.753 -3.765
85 HG11 VAL 13 HG11 VAL 13 0.123 5.861 -2.491
86 HG12 VAL 13 HG12 VAL 13 -1.286 6.159 -3.508
87 HG13 VAL 13 HG13 VAL 13 0.146 5.389 -4.191
88 HG21 VAL 13 HG21 VAL 13 -0.315 2.147 -2.494
89 HG22 VAL 13 HG22 VAL 13 0.683 3.447 -1.844
90 HG23 VAL 13 HG23 VAL 13 0.732 3.076 -3.568
91 H GLY 14 HN GLY 14 -4.065 3.700 -2.976
92 HA2 GLY 14 HA2 GLY 14 -5.259 6.336 -2.394
93 HA3 GLY 14 HA1 GLY 14 -5.409 5.570 -3.969
94 H HIS 15 HN HIS 15 -5.470 3.533 -1.219
95 HA HIS 15 HA HIS 15 -8.392 3.353 -1.314
96 HB2 HIS 15 HB2 HIS 15 -7.343 1.638 -2.838
97 HB3 HIS 15 HB1 HIS 15 -6.573 0.936 -1.421
98 HD1 HIS 15 HD1 HIS 15 -9.561 0.727 -3.434
99 HD2 HIS 15 HD2 HIS 15 -8.590 -0.027 0.535
100 HE1 HIS 15 HE1 HIS 15 -11.404 -0.733 -2.552
101 HE2 HIS 15 HE2 HIS 15 -10.840 -1.108 -0.128
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 5.826 -2.931 5.988
2 H2 ALA 1 HT2 ALA 1 6.241 -2.968 4.352
3 H3 ALA 1 HT3 ALA 1 5.203 -4.138 4.985
4 HA ALA 1 HA ALA 1 3.531 -2.493 5.432
5 HB1 ALA 1 HB1 ALA 1 5.095 -0.639 5.844
6 HB2 ALA 1 HB2 ALA 1 3.817 -0.200 4.711
7 HB3 ALA 1 HB3 ALA 1 5.435 -0.562 4.115
8 H PHE 2 HN PHE 2 5.392 -1.693 2.491
9 HA PHE 2 HA PHE 2 4.894 -1.834 0.286
10 HB2 PHE 2 HB2 PHE 2 3.367 -4.297 1.160
11 HB3 PHE 2 HB1 PHE 2 3.774 -3.898 -0.504
12 HD1 PHE 2 HD2 PHE 2 6.267 -3.645 -1.062
13 HD2 PHE 2 HD1 PHE 2 4.822 -5.549 2.457
14 HE1 PHE 2 HE2 PHE 2 8.419 -4.813 -0.816
15 HE2 PHE 2 HE1 PHE 2 6.972 -6.717 2.712
16 HZ PHE 2 HZ PHE 2 8.766 -6.362 1.074
17 H ARG 3 HN ARG 3 3.458 0.041 1.459
18 HA ARG 3 HA ARG 3 0.630 -0.323 1.202
19 HB2 ARG 3 HB2 ARG 3 2.257 2.172 1.684
20 HB3 ARG 3 HB1 ARG 3 0.503 2.085 1.772
21 HG2 ARG 3 HG2 ARG 3 0.629 0.542 3.619
22 HG3 ARG 3 HG1 ARG 3 2.388 0.485 3.487
23 HD2 ARG 3 HD2 ARG 3 2.494 2.876 4.016
24 HD3 ARG 3 HD1 ARG 3 0.738 2.916 4.161
25 HE ARG 3 HE ARG 3 1.692 0.945 5.895
26 HH11 ARG 3 HH11 ARG 3 1.821 4.421 5.516
27 HH12 ARG 3 HH12 ARG 3 2.026 4.728 7.211
28 HH21 ARG 3 HH21 ARG 3 1.946 1.347 8.140
29 HH22 ARG 3 HH22 ARG 3 2.096 2.980 8.702
30 HA HZP 4 HA HZP 4 1.012 2.328 -2.717
31 HB HZP 4 HB2 HZP 4 3.380 2.961 -3.796
32 HBA HZP 4 HB1 HZP 4 2.740 3.870 -2.410
33 HG HZP 4 HG3 HZP 4 4.795 3.235 -1.540
34 HD HZP 4 HD3 HZP 4 3.507 2.385 0.131
35 HDA HZP 4 HD2 HZP 4 4.078 0.818 -0.476
36 HOD1 HZP 4 HG2 HZP 4 5.913 1.520 -2.265
37 H THR 5 HN THR 5 2.201 -0.646 -2.186
38 HA THR 5 HA THR 5 2.246 -1.301 -5.025
39 HB THR 5 HB THR 5 4.565 -1.014 -4.629
40 HG1 THR 5 HG1 THR 5 4.035 -3.811 -4.418
41 HG21 THR 5 HG21 THR 5 5.801 -2.162 -2.851
42 HG22 THR 5 HG22 THR 5 4.288 -2.814 -2.222
43 HG23 THR 5 HG23 THR 5 4.577 -1.075 -2.190
44 H ALA 6 HN ALA 6 0.169 -2.100 -4.430
45 HA ALA 6 HA ALA 6 -1.342 -3.717 -3.942
46 HB1 ALA 6 HB1 ALA 6 -0.692 -5.983 -4.505
47 HB2 ALA 6 HB2 ALA 6 1.012 -5.542 -4.408
48 HB3 ALA 6 HB3 ALA 6 -0.009 -4.845 -5.666
49 HA PRO 7 HA PRO 7 -0.092 -4.474 0.427
50 HB2 PRO 7 HB2 PRO 7 -2.095 -2.732 1.384
51 HB3 PRO 7 HB1 PRO 7 -0.364 -2.407 1.322
52 HG2 PRO 7 HG2 PRO 7 -2.376 -1.131 -0.174
53 HG3 PRO 7 HG1 PRO 7 -0.630 -0.990 -0.418
54 HD2 PRO 7 HD2 PRO 7 -2.620 -2.604 -1.900
55 HD3 PRO 7 HD1 PRO 7 -1.080 -1.914 -2.451
56 H GLY 8 HN GLY 8 -3.397 -3.636 -0.517
57 HA2 GLY 8 HA2 GLY 8 -4.267 -6.375 0.013
58 HA3 GLY 8 HA1 GLY 8 -5.101 -5.059 0.837
59 H HIS 9 HN HIS 9 -4.064 -6.096 -2.372
60 HA HIS 9 HA HIS 9 -4.983 -5.955 -4.433
61 HB2 HIS 9 HB2 HIS 9 -7.514 -5.142 -2.988
62 HB3 HIS 9 HB1 HIS 9 -7.405 -5.471 -4.712
63 HD1 HIS 9 HD1 HIS 9 -6.479 -8.045 -5.229
64 HD2 HIS 9 HD2 HIS 9 -8.225 -7.291 -1.536
65 HE1 HIS 9 HE1 HIS 9 -7.152 -10.293 -4.327
66 HE2 HIS 9 HE2 HIS 9 -8.408 -9.779 -2.204
67 H SER 10 HN SER 10 -6.380 -3.240 -2.571
68 HA SER 10 HA SER 10 -5.595 -1.433 -4.729
69 HB2 SER 10 HB2 SER 10 -7.264 -0.896 -2.262
70 HB3 SER 10 HB1 SER 10 -7.033 0.204 -3.623
71 HG SER 10 HG SER 10 -7.857 -1.899 -4.788
72 HA HZP 11 HA HZP 11 -2.061 -0.175 -2.243
73 HB HZP 11 HB2 HZP 11 -1.516 1.797 -4.294
74 HBA HZP 11 HB1 HZP 11 -0.605 0.327 -3.903
75 HG HZP 11 HG3 HZP 11 -1.610 -0.887 -5.520
76 HD HZP 11 HD3 HZP 11 -3.870 -1.189 -5.506
77 HDA HZP 11 HD2 HZP 11 -4.202 0.556 -5.474
78 HOD1 HZP 11 HG2 HZP 11 -1.865 0.324 -7.273
79 H GLY 12 HN GLY 12 -3.686 0.732 -0.753
80 HA2 GLY 12 HA2 GLY 12 -3.330 3.532 -0.413
81 HA3 GLY 12 HA1 GLY 12 -4.942 3.191 -1.034
82 H VAL 13 HN VAL 13 -4.833 0.540 0.458
83 HA VAL 13 HA VAL 13 -5.900 1.397 2.932
84 HB VAL 13 HB VAL 13 -5.659 -1.056 3.592
85 HG11 VAL 13 HG11 VAL 13 -7.460 -1.768 2.086
86 HG12 VAL 13 HG12 VAL 13 -7.129 -0.387 1.041
87 HG13 VAL 13 HG13 VAL 13 -7.723 -0.129 2.682
88 HG21 VAL 13 HG21 VAL 13 -3.778 -1.613 2.119
89 HG22 VAL 13 HG22 VAL 13 -4.794 -1.314 0.707
90 HG23 VAL 13 HG23 VAL 13 -5.173 -2.644 1.801
91 H GLY 14 HN GLY 14 -4.358 2.782 3.796
92 HA2 GLY 14 HA2 GLY 14 -2.734 2.498 5.723
93 HA3 GLY 14 HA1 GLY 14 -1.779 1.575 4.568
94 H HIS 15 HN HIS 15 -2.907 3.591 2.495
95 HA HIS 15 HA HIS 15 -1.378 5.964 3.237
96 HB2 HIS 15 HB2 HIS 15 0.194 4.503 1.998
97 HB3 HIS 15 HB1 HIS 15 -0.931 4.458 0.645
98 HD1 HIS 15 HD1 HIS 15 1.375 6.824 2.468
99 HD2 HIS 15 HD2 HIS 15 -0.779 6.607 -1.079
100 HE1 HIS 15 HE1 HIS 15 2.141 8.783 1.091
101 HE2 HIS 15 HE2 HIS 15 0.950 8.530 -1.114
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 6.715 -8.518 4.264
2 H2 ALA 1 HT2 ALA 1 7.612 -7.089 4.199
3 H3 ALA 1 HT3 ALA 1 6.954 -7.737 2.784
4 HA ALA 1 HA ALA 1 4.745 -7.319 3.531
5 HB1 ALA 1 HB1 ALA 1 5.162 -7.700 5.918
6 HB2 ALA 1 HB2 ALA 1 4.298 -6.191 5.629
7 HB3 ALA 1 HB3 ALA 1 6.020 -6.163 6.003
8 H PHE 2 HN PHE 2 5.062 -6.100 1.642
9 HA PHE 2 HA PHE 2 5.891 -3.314 2.102
10 HB2 PHE 2 HB2 PHE 2 6.010 -5.034 -0.372
11 HB3 PHE 2 HB1 PHE 2 6.154 -3.281 -0.440
12 HD1 PHE 2 HD1 PHE 2 7.748 -6.396 0.600
13 HD2 PHE 2 HD2 PHE 2 8.134 -2.163 0.386
14 HE1 PHE 2 HE1 PHE 2 10.155 -6.597 1.067
15 HE2 PHE 2 HE2 PHE 2 10.542 -2.357 0.851
16 HZ PHE 2 HZ PHE 2 11.556 -4.541 1.190
17 H ARG 3 HN ARG 3 4.178 -2.057 2.374
18 HA ARG 3 HA ARG 3 1.669 -2.685 1.105
19 HB2 ARG 3 HB2 ARG 3 2.506 -0.460 2.950
20 HB3 ARG 3 HB1 ARG 3 0.916 -0.521 2.207
21 HG2 ARG 3 HG2 ARG 3 0.620 -2.782 3.235
22 HG3 ARG 3 HG1 ARG 3 2.117 -2.500 4.120
23 HD2 ARG 3 HD2 ARG 3 1.158 -0.559 5.195
24 HD3 ARG 3 HD1 ARG 3 -0.310 -0.718 4.232
25 HE ARG 3 HE ARG 3 0.333 -3.034 5.828
26 HH11 ARG 3 HH11 ARG 3 -1.353 0.026 5.722
27 HH12 ARG 3 HH12 ARG 3 -2.464 -0.400 6.984
28 HH21 ARG 3 HH21 ARG 3 -1.130 -3.604 7.481
29 HH22 ARG 3 HH22 ARG 3 -2.332 -2.462 7.995
30 HA HZP 4 HA HZP 4 2.614 1.409 -1.318
31 HB HZP 4 HB2 HZP 4 5.238 2.176 -1.466
32 HBA HZP 4 HB1 HZP 4 4.106 2.799 -0.251
33 HG HZP 4 HG3 HZP 4 5.733 1.959 1.154
34 HD HZP 4 HD3 HZP 4 3.899 0.824 1.954
35 HDA HZP 4 HD2 HZP 4 4.879 -0.574 1.467
36 HOD1 HZP 4 HG2 HZP 4 7.176 0.502 0.530
37 H THR 5 HN THR 5 2.596 -1.197 -2.133
38 HA THR 5 HA THR 5 4.124 -1.009 -4.613
39 HB THR 5 HB THR 5 4.574 -3.537 -4.459
40 HG1 THR 5 HG1 THR 5 3.677 -2.972 -1.894
41 HG21 THR 5 HG21 THR 5 6.358 -1.861 -4.383
42 HG22 THR 5 HG22 THR 5 6.705 -3.216 -3.307
43 HG23 THR 5 HG23 THR 5 6.125 -1.688 -2.643
44 H ALA 6 HN ALA 6 2.113 -0.486 -5.491
45 HA ALA 6 HA ALA 6 0.187 -0.878 -6.617
46 HB1 ALA 6 HB1 ALA 6 0.800 -3.797 -6.152
47 HB2 ALA 6 HB2 ALA 6 1.323 -2.840 -7.536
48 HB3 ALA 6 HB3 ALA 6 -0.393 -3.156 -7.281
49 HA PRO 7 HA PRO 7 -2.130 -1.000 -2.695
50 HB2 PRO 7 HB2 PRO 7 -3.900 0.783 -4.245
51 HB3 PRO 7 HB1 PRO 7 -3.152 1.037 -2.666
52 HG2 PRO 7 HG2 PRO 7 -2.300 2.356 -4.815
53 HG3 PRO 7 HG1 PRO 7 -1.158 1.779 -3.585
54 HD2 PRO 7 HD2 PRO 7 -1.820 0.583 -6.256
55 HD3 PRO 7 HD1 PRO 7 -0.235 0.801 -5.483
56 H GLY 8 HN GLY 8 -2.975 -3.030 -2.730
57 HA2 GLY 8 HA2 GLY 8 -5.641 -3.300 -3.813
58 HA3 GLY 8 HA1 GLY 8 -4.452 -4.343 -4.578
59 H HIS 9 HN HIS 9 -5.035 -3.337 -1.221
60 HA HIS 9 HA HIS 9 -5.976 -5.827 -0.313
61 HB2 HIS 9 HB2 HIS 9 -3.630 -6.523 -0.802
62 HB3 HIS 9 HB1 HIS 9 -3.060 -5.298 0.325
63 HD1 HIS 9 HD1 HIS 9 -2.657 -6.125 2.634
64 HD2 HIS 9 HD2 HIS 9 -5.379 -8.498 0.581
65 HE1 HIS 9 HE1 HIS 9 -3.190 -8.031 4.179
66 HE2 HIS 9 HE2 HIS 9 -4.721 -9.528 2.857
67 H SER 10 HN SER 10 -3.986 -3.049 0.533
68 HA SER 10 HA SER 10 -5.803 -2.076 2.479
69 HB2 SER 10 HB2 SER 10 -4.780 -3.971 3.754
70 HB3 SER 10 HB1 SER 10 -3.205 -3.205 3.560
71 HG SER 10 HG SER 10 -5.092 -1.496 4.554
72 HA HZP 11 HA HZP 11 -1.077 0.147 2.000
73 HB HZP 11 HB2 HZP 11 -1.625 -0.291 -0.893
74 HBA HZP 11 HB1 HZP 11 -0.076 -0.316 -0.027
75 HG HZP 11 HG3 HZP 11 -0.194 -2.547 0.174
76 HD HZP 11 HD3 HZP 11 -1.239 -2.577 2.226
77 HDA HZP 11 HD2 HZP 11 -2.591 -3.256 1.293
78 HOD1 HZP 11 HG2 HZP 11 -1.446 -3.522 -1.228
79 H GLY 12 HN GLY 12 -3.286 0.428 -0.773
80 HA2 GLY 12 HA2 GLY 12 -4.130 3.055 0.161
81 HA3 GLY 12 HA1 GLY 12 -3.246 2.987 -1.356
82 H VAL 13 HN VAL 13 -5.722 0.830 -0.011
83 HA VAL 13 HA VAL 13 -7.092 0.532 -2.463
84 HB VAL 13 HB VAL 13 -8.146 0.105 0.345
85 HG11 VAL 13 HG11 VAL 13 -9.783 -1.380 -0.703
86 HG12 VAL 13 HG12 VAL 13 -9.161 -0.945 -2.294
87 HG13 VAL 13 HG13 VAL 13 -9.946 0.274 -1.291
88 HG21 VAL 13 HG21 VAL 13 -6.871 -1.832 -1.582
89 HG22 VAL 13 HG22 VAL 13 -7.575 -2.250 -0.020
90 HG23 VAL 13 HG23 VAL 13 -6.149 -1.215 -0.097
91 H GLY 14 HN GLY 14 -7.955 2.353 0.465
92 HA2 GLY 14 HA2 GLY 14 -9.546 4.172 -1.220
93 HA3 GLY 14 HA1 GLY 14 -9.725 3.985 0.522
94 H HIS 15 HN HIS 15 -6.596 4.044 -0.886
95 HA HIS 15 HA HIS 15 -4.801 5.385 -0.631
96 HB2 HIS 15 HB2 HIS 15 -6.881 7.581 -0.665
97 HB3 HIS 15 HB1 HIS 15 -5.146 7.840 -0.791
98 HD1 HIS 15 HD1 HIS 15 -8.005 7.622 -2.861
99 HD2 HIS 15 HD2 HIS 15 -4.106 6.210 -3.147
100 HE1 HIS 15 HE1 HIS 15 -7.645 7.114 -5.298
101 HE2 HIS 15 HE2 HIS 15 -5.324 6.143 -5.429
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 6.636 -8.970 2.877
2 H2 ALA 1 HT2 ALA 1 7.313 -8.439 1.425
3 H3 ALA 1 HT3 ALA 1 5.659 -8.256 1.704
4 HA ALA 1 HA ALA 1 6.041 -6.699 3.449
5 HB1 ALA 1 HB1 ALA 1 8.123 -7.676 4.285
6 HB2 ALA 1 HB2 ALA 1 8.295 -5.944 3.995
7 HB3 ALA 1 HB3 ALA 1 8.970 -7.102 2.849
8 H PHE 2 HN PHE 2 5.144 -6.526 0.906
9 HA PHE 2 HA PHE 2 6.325 -3.983 0.055
10 HB2 PHE 2 HB2 PHE 2 5.504 -6.299 -1.700
11 HB3 PHE 2 HB1 PHE 2 5.694 -4.664 -2.312
12 HD1 PHE 2 HD2 PHE 2 7.953 -3.560 -2.135
13 HD2 PHE 2 HD1 PHE 2 7.339 -7.703 -1.396
14 HE1 PHE 2 HE2 PHE 2 10.358 -3.965 -2.443
15 HE2 PHE 2 HE1 PHE 2 9.742 -8.115 -1.702
16 HZ PHE 2 HZ PHE 2 11.260 -6.219 -2.223
17 H ARG 3 HN ARG 3 4.509 -3.461 1.626
18 HA ARG 3 HA ARG 3 1.853 -3.850 0.535
19 HB2 ARG 3 HB2 ARG 3 2.704 -2.550 3.123
20 HB3 ARG 3 HB1 ARG 3 1.045 -2.863 2.640
21 HG2 ARG 3 HG2 ARG 3 1.529 -5.270 2.595
22 HG3 ARG 3 HG1 ARG 3 3.176 -4.933 3.133
23 HD2 ARG 3 HD2 ARG 3 0.633 -4.329 4.639
24 HD3 ARG 3 HD1 ARG 3 1.788 -5.608 5.005
25 HE ARG 3 HE ARG 3 2.294 -2.719 5.294
26 HH11 ARG 3 HH11 ARG 3 3.093 -6.044 6.071
27 HH12 ARG 3 HH12 ARG 3 4.155 -5.614 7.372
28 HH21 ARG 3 HH21 ARG 3 3.680 -2.163 7.024
29 HH22 ARG 3 HH22 ARG 3 4.469 -3.418 7.927
30 HA HZP 4 HA HZP 4 1.785 0.924 0.488
31 HB HZP 4 HB2 HZP 4 4.030 2.367 0.940
32 HBA HZP 4 HB1 HZP 4 2.997 1.789 2.264
33 HG HZP 4 HG3 HZP 4 5.000 0.864 2.931
34 HD HZP 4 HD3 HZP 4 3.798 -1.072 2.877
35 HDA HZP 4 HD2 HZP 4 4.913 -1.496 1.563
36 HOD1 HZP 4 HG2 HZP 4 6.663 0.596 1.614
37 H THR 5 HN THR 5 2.505 -0.827 -1.555
38 HA THR 5 HA THR 5 3.261 1.062 -3.574
39 HB THR 5 HB THR 5 5.503 0.303 -2.898
40 HG1 THR 5 HG1 THR 5 5.487 0.730 -5.022
41 HG21 THR 5 HG21 THR 5 4.528 -2.462 -3.622
42 HG22 THR 5 HG22 THR 5 4.958 -1.898 -2.007
43 HG23 THR 5 HG23 THR 5 6.197 -2.028 -3.255
44 H ALA 6 HN ALA 6 2.251 0.540 -5.473
45 HA ALA 6 HA ALA 6 0.467 -0.312 -6.620
46 HB1 ALA 6 HB1 ALA 6 0.626 -2.682 -7.219
47 HB2 ALA 6 HB2 ALA 6 1.829 -2.927 -5.954
48 HB3 ALA 6 HB3 ALA 6 2.197 -1.890 -7.332
49 HA PRO 7 HA PRO 7 -1.382 -1.133 -2.366
50 HB2 PRO 7 HB2 PRO 7 -3.306 0.907 -3.326
51 HB3 PRO 7 HB1 PRO 7 -2.458 0.805 -1.782
52 HG2 PRO 7 HG2 PRO 7 -1.742 2.598 -3.598
53 HG3 PRO 7 HG1 PRO 7 -0.515 1.743 -2.642
54 HD2 PRO 7 HD2 PRO 7 -1.399 1.255 -5.465
55 HD3 PRO 7 HD1 PRO 7 0.242 1.262 -4.784
56 H GLY 8 HN GLY 8 -2.989 -2.519 -1.885
57 HA2 GLY 8 HA2 GLY 8 -5.208 -2.839 -3.771
58 HA3 GLY 8 HA1 GLY 8 -4.216 -4.247 -3.423
59 H HIS 9 HN HIS 9 -3.803 -4.190 -0.785
60 HA HIS 9 HA HIS 9 -6.517 -4.570 0.239
61 HB2 HIS 9 HB2 HIS 9 -3.844 -5.615 1.166
62 HB3 HIS 9 HB1 HIS 9 -5.318 -5.813 2.104
63 HD1 HIS 9 HD1 HIS 9 -3.429 -7.256 -0.702
64 HD2 HIS 9 HD2 HIS 9 -7.287 -7.484 0.836
65 HE1 HIS 9 HE1 HIS 9 -4.457 -9.300 -1.746
66 HE2 HIS 9 HE2 HIS 9 -6.724 -9.506 -0.674
67 H SER 10 HN SER 10 -4.072 -4.271 2.600
68 HA SER 10 HA SER 10 -5.417 -2.185 3.944
69 HB2 SER 10 HB2 SER 10 -4.138 -3.869 5.157
70 HB3 SER 10 HB1 SER 10 -2.646 -3.309 4.405
71 HG SER 10 HG SER 10 -2.573 -2.149 6.171
72 HA HZP 11 HA HZP 11 -1.311 0.357 2.221
73 HB HZP 11 HB2 HZP 11 -1.958 -0.544 -0.507
74 HBA HZP 11 HB1 HZP 11 -0.375 -0.314 0.255
75 HG HZP 11 HG3 HZP 11 -0.227 -2.496 0.688
76 HD HZP 11 HD3 HZP 11 -1.176 -2.659 2.728
77 HDA HZP 11 HD2 HZP 11 -2.585 -3.332 1.883
78 HOD1 HZP 11 HG2 HZP 11 -1.446 -3.783 -0.519
79 H GLY 12 HN GLY 12 -4.101 -0.462 0.154
80 HA2 GLY 12 HA2 GLY 12 -5.777 1.580 0.765
81 HA3 GLY 12 HA1 GLY 12 -4.669 2.302 -0.393
82 H VAL 13 HN VAL 13 -7.584 1.609 -0.479
83 HA VAL 13 HA VAL 13 -7.582 -0.119 -2.846
84 HB VAL 13 HB VAL 13 -9.258 -0.647 -1.139
85 HG11 VAL 13 HG11 VAL 13 -11.113 0.885 -0.668
86 HG12 VAL 13 HG12 VAL 13 -10.326 2.128 -1.641
87 HG13 VAL 13 HG13 VAL 13 -9.561 1.552 -0.160
88 HG21 VAL 13 HG21 VAL 13 -9.805 -1.130 -3.453
89 HG22 VAL 13 HG22 VAL 13 -10.471 0.492 -3.654
90 HG23 VAL 13 HG23 VAL 13 -11.254 -0.656 -2.568
91 H GLY 14 HN GLY 14 -8.040 3.148 -1.770
92 HA2 GLY 14 HA2 GLY 14 -8.129 4.001 -4.588
93 HA3 GLY 14 HA1 GLY 14 -9.227 4.712 -3.414
94 H HIS 15 HN HIS 15 -6.466 4.038 -1.794
95 HA HIS 15 HA HIS 15 -5.578 6.811 -1.961
96 HB2 HIS 15 HB2 HIS 15 -6.008 5.921 0.277
97 HB3 HIS 15 HB1 HIS 15 -4.868 4.612 -0.004
98 HD1 HIS 15 HD1 HIS 15 -4.939 8.374 0.415
99 HD2 HIS 15 HD2 HIS 15 -2.265 5.196 0.622
100 HE1 HIS 15 HE1 HIS 15 -2.813 9.337 1.352
101 HE2 HIS 15 HE2 HIS 15 -1.180 7.421 1.368