Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
626721 | 6bvy RC | 30383 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 0.078 2.621 -3.915
2 HA CYS 1 HA CYS 1 0.287 0.124 -2.400
3 HB3 CYS 1 2HB CYS 1 -1.921 1.098 -1.385
4 H THR 2 H THR 2 -1.963 -0.970 -2.092
5 HA THR 2 HA THR 2 -2.857 -1.714 -4.752
6 HB THR 2 HB THR 2 -4.160 -3.476 -3.574
7 HG1 THR 2 1HG THR 2 -2.812 -2.739 -1.200
8 HG21 THR 2 1HG2 THR 2 -2.054 -4.586 -2.517
9 HG22 THR 2 2HG2 THR 2 -1.209 -3.178 -3.164
10 HG23 THR 2 3HG2 THR 2 -2.084 -4.258 -4.249
11 H ALA 3 H ALA 3 -5.029 -1.699 -5.434
12 HA ALA 3 HA ALA 3 -6.543 0.549 -4.434
13 HB1 ALA 3 1HB ALA 3 -7.050 -1.355 -6.715
14 HB2 ALA 3 2HB ALA 3 -8.072 0.028 -6.322
15 HB3 ALA 3 3HB ALA 3 -6.398 0.281 -6.814
16 H SER 4 H SER 4 -6.514 -1.078 -2.367
17 HA SER 4 HA SER 4 -9.029 -2.602 -2.429
18 HB3 SER 4 2HB SER 4 -7.533 -4.140 -1.619
19 HG SER 4 HG SER 4 -5.583 -3.414 -1.376
20 H ILE 5 H ILE 5 -10.158 -2.627 -0.215
21 HA ILE 5 HA ILE 5 -10.011 -0.028 1.127
22 HB ILE 5 HB ILE 5 -12.578 -1.189 0.035
23 HG13 ILE 5 2HG1 ILE 5 -12.642 0.782 -1.395
24 HG21 ILE 5 1HG2 ILE 5 -13.165 -0.176 2.053
25 HG22 ILE 5 2HG2 ILE 5 -11.998 1.129 1.844
26 HG23 ILE 5 3HG2 ILE 5 -13.456 1.081 0.851
27 HD11 ILE 5 1HD1 ILE 5 -11.521 2.608 -0.844
28 HD12 ILE 5 2HD1 ILE 5 -10.520 1.726 0.311
29 HD13 ILE 5 3HD1 ILE 5 -10.061 1.786 -1.391
30 HA PRO 6 HA PRO 6 -9.352 0.498 2.801
31 HB3 PRO 6 2HB PRO 6 -9.040 0.441 5.078
32 HG3 PRO 6 2HG PRO 6 -9.128 -1.564 6.250
33 HD3 PRO 6 2HD PRO 6 -11.086 -1.724 5.043
34 HA PRO 7 HA PRO 7 -6.091 -0.772 0.138
35 HB3 PRO 7 2HB PRO 7 -5.528 1.444 -0.090
36 HG3 PRO 7 2HG PRO 7 -5.621 2.898 1.722
37 HD3 PRO 7 2HD PRO 7 -7.709 1.933 1.880
38 H ILE 8 H ILE 8 -4.059 -1.841 -0.002
39 HA ILE 8 HA ILE 8 -3.060 -2.861 2.578
40 HB ILE 8 HB ILE 8 -3.092 -4.349 -0.048
41 HG13 ILE 8 2HG1 ILE 8 -5.354 -3.987 0.974
42 HG21 ILE 8 1HG2 ILE 8 -1.241 -4.986 1.388
43 HG22 ILE 8 2HG2 ILE 8 -2.349 -5.231 2.737
44 HG23 ILE 8 3HG2 ILE 8 -2.438 -6.279 1.321
45 HD11 ILE 8 1HD1 ILE 8 -4.996 -5.991 -0.359
46 HD12 ILE 8 2HD1 ILE 8 -4.408 -6.841 1.072
47 HD13 ILE 8 3HD1 ILE 8 -6.086 -6.302 0.992
48 H CYS 9 H CYS 9 -1.146 -1.975 2.987
49 HA CYS 9 HA CYS 9 0.846 -1.909 0.823
50 HB3 CYS 9 2HB CYS 9 1.520 0.267 1.300
51 HA E9V 10 HA NHI 10 3.353 -3.202 4.207
52 HB2 E9V 10 2HB NHI 10 5.339 -3.204 1.931
53 HB3 E9V 10 3HB NHI 10 5.314 -4.268 3.336
54 HD1 E9V 10 1HD NHI 10 2.866 -5.696 3.422
55 HD2 E9V 10 2HD NHI 10 4.356 -4.442 -0.248
56 HE1 E9V 10 1HE NHI 10 1.744 -7.153 1.707
57 3HN E9V 10 3HN NHI 10 4.083 -2.033 0.831
58 H1 E9V 10 H NHI 10 3.524 -0.466 1.461
59 2HN E9V 10 2HN NHI 10 2.405 -1.510 0.555
60 H DPN 11 H DPH 11 3.396 -0.214 3.457
61 HA DPN 11 HA DPH 11 6.030 0.442 4.587
62 HB2 DPN 11 2HB DPH 11 4.243 0.487 6.343
63 HB3 DPN 11 3HB DPH 11 3.437 1.753 5.422
64 HD1 DPN 11 1HD DPH 11 6.712 0.953 6.999
65 HD2 DPN 11 2HD DPH 11 3.925 3.963 5.867
66 HE1 DPN 11 1HE DPH 11 8.083 2.647 8.142
67 HE2 DPN 11 2HE DPH 11 5.290 5.661 7.009
68 HZ DPN 11 HZ DPH 11 7.372 5.004 8.150
69 HA MMO 12 HA NAR 12 5.220 3.338 1.281
70 HCB1 MMO 12 2HB NAR 12 8.190 2.781 1.258
71 HCB2 MMO 12 3HB NAR 12 7.387 4.236 0.681
72 HCG1 MMO 12 2HG NAR 12 6.665 4.741 2.962
73 HCG2 MMO 12 3HG NAR 12 7.478 3.284 3.536
74 HCD1 MMO 12 2HD NAR 12 9.586 4.160 3.182
75 HCD2 MMO 12 3HD NAR 12 9.014 5.312 1.975
76 HH21 MMO 12 1HH2 NAR 12 8.699 7.672 5.708
77 HH22 MMO 12 2HH2 NAR 12 10.412 7.918 5.749
78 HH11 MMO 12 1HH1 NAR 12 11.106 5.517 3.304
79 HC1 MMO 12 2HN NAR 12 7.275 0.313 3.121
80 HC2 MMO 12 3HN NAR 12 7.303 0.429 1.346
81 HC3 MMO 12 H NAR 12 5.968 -0.422 2.160
82 HE MMO 12 HE NAR 12 7.821 6.118 4.288
83 HH12 MMO 12 2HH1 NAR 12 11.782 6.693 4.381
84 H TRP 13 H TRP 13 4.072 2.217 -0.285
85 HA TRP 13 HA TRP 13 5.634 1.435 -2.602
86 HB3 TRP 13 2HB TRP 13 4.062 -0.662 -2.768
87 HD1 TRP 13 HD TRP 13 5.924 -1.382 0.399
88 HE1 TRP 13 1HE TRP 13 8.170 -2.515 -0.147
89 HE3 TRP 13 3HE TRP 13 6.009 -0.616 -4.655
90 HZ2 TRP 13 2HZ TRP 13 9.766 -3.017 -2.421
91 HZ3 TRP 13 3HZ TRP 13 7.932 -1.454 -5.942
92 HH2 TRP 13 HH TRP 13 9.770 -2.628 -4.846
93 H ARG 14 H ARG 14 4.298 1.177 -4.540
94 HA ARG 14 HA ARG 14 2.313 3.203 -4.698
95 HB3 ARG 14 2HB ARG 14 1.981 2.116 -7.042
96 HG3 ARG 14 2HG ARG 14 3.343 4.166 -6.582
97 HD3 ARG 14 2HD ARG 14 5.088 3.232 -5.204
98 HE ARG 14 HE ARG 14 5.859 1.175 -5.811
99 HH11 ARG 14 1HH2 ARG 14 6.843 -0.380 -7.157
100 HH12 ARG 14 2HH2 ARG 14 7.106 -0.015 -8.830
101 HH21 ARG 14 1HH1 ARG 14 5.725 3.192 -8.646
102 HH22 ARG 14 2HH1 ARG 14 6.471 2.016 -9.676
Start of MODEL 2
1 H1 CYS 1 H CYS 1 0.507 2.674 -3.508
2 HA CYS 1 HA CYS 1 0.278 0.124 -2.388
3 HB3 CYS 1 2HB CYS 1 -1.927 1.171 -1.423
4 H THR 2 H THR 2 -1.956 -0.960 -2.103
5 HA THR 2 HA THR 2 -2.870 -1.678 -4.763
6 HB THR 2 HB THR 2 -4.172 -3.444 -3.593
7 HG1 THR 2 1HG THR 2 -2.811 -2.735 -1.219
8 HG21 THR 2 1HG2 THR 2 -1.897 -4.354 -2.400
9 HG22 THR 2 2HG2 THR 2 -1.252 -3.141 -3.504
10 HG23 THR 2 3HG2 THR 2 -2.237 -4.465 -4.126
11 H ALA 3 H ALA 3 -5.040 -1.636 -5.441
12 HA ALA 3 HA ALA 3 -6.540 0.605 -4.404
13 HB1 ALA 3 1HB ALA 3 -6.224 -0.024 -6.872
14 HB2 ALA 3 2HB ALA 3 -7.479 -1.230 -6.582
15 HB3 ALA 3 3HB ALA 3 -7.828 0.483 -6.344
16 H SER 4 H SER 4 -6.515 -1.050 -2.360
17 HA SER 4 HA SER 4 -9.036 -2.563 -2.441
18 HB3 SER 4 2HB SER 4 -7.546 -4.117 -1.654
19 HG SER 4 HG SER 4 -5.667 -2.965 -1.689
20 H ILE 5 H ILE 5 -10.162 -2.612 -0.225
21 HA ILE 5 HA ILE 5 -10.003 -0.034 1.151
22 HB ILE 5 HB ILE 5 -12.583 -1.167 0.061
23 HG13 ILE 5 2HG1 ILE 5 -10.700 0.930 -0.881
24 HG21 ILE 5 1HG2 ILE 5 -13.466 -0.081 1.809
25 HG22 ILE 5 2HG2 ILE 5 -11.978 0.807 2.128
26 HG23 ILE 5 3HG2 ILE 5 -13.099 1.383 0.896
27 HD11 ILE 5 1HD1 ILE 5 -12.617 0.026 -2.804
28 HD12 ILE 5 2HD1 ILE 5 -10.862 -0.163 -2.793
29 HD13 ILE 5 3HD1 ILE 5 -11.883 -1.351 -1.982
30 HA PRO 6 HA PRO 6 -9.339 0.466 2.833
31 HB3 PRO 6 2HB PRO 6 -9.026 0.376 5.108
32 HG3 PRO 6 2HG PRO 6 -9.125 -1.646 6.253
33 HD3 PRO 6 2HD PRO 6 -11.084 -1.779 5.045
34 HA PRO 7 HA PRO 7 -6.087 -0.781 0.150
35 HB3 PRO 7 2HB PRO 7 -5.514 1.435 -0.047
36 HG3 PRO 7 2HG PRO 7 -5.600 2.864 1.785
37 HD3 PRO 7 2HD PRO 7 -7.692 1.907 1.931
38 H ILE 8 H ILE 8 -4.047 -1.844 -0.005
39 HA ILE 8 HA ILE 8 -3.057 -2.909 2.560
40 HB ILE 8 HB ILE 8 -3.094 -4.361 -0.090
41 HG13 ILE 8 2HG1 ILE 8 -5.355 -4.004 0.936
42 HG21 ILE 8 1HG2 ILE 8 -1.250 -5.064 1.285
43 HG22 ILE 8 2HG2 ILE 8 -2.307 -5.237 2.685
44 HG23 ILE 8 3HG2 ILE 8 -2.486 -6.320 1.305
45 HD11 ILE 8 1HD1 ILE 8 -4.500 -6.226 -0.252
46 HD12 ILE 8 2HD1 ILE 8 -4.883 -6.889 1.336
47 HD13 ILE 8 3HD1 ILE 8 -6.128 -6.055 0.405
48 H CYS 9 H CYS 9 -1.165 -1.965 2.967
49 HA CYS 9 HA CYS 9 0.844 -1.917 0.820
50 HB3 CYS 9 2HB CYS 9 1.508 0.267 1.289
51 HA E9V 10 HA NHI 10 3.334 -3.176 4.228
52 HB2 E9V 10 2HB NHI 10 5.344 -3.184 1.975
53 HB3 E9V 10 3HB NHI 10 5.298 -4.247 3.377
54 HD1 E9V 10 1HD NHI 10 2.608 -5.440 3.375
55 HD2 E9V 10 2HD NHI 10 4.631 -4.651 -0.168
56 HE1 E9V 10 1HE NHI 10 1.570 -6.954 1.657
57 3HN E9V 10 3HN NHI 10 4.081 -2.028 0.849
58 H1 E9V 10 H NHI 10 3.512 -0.458 1.463
59 2HN E9V 10 2HN NHI 10 2.403 -1.514 0.557
60 H DPN 11 H DPH 11 3.369 -0.192 3.456
61 HA DPN 11 HA DPH 11 5.993 0.483 4.601
62 HB2 DPN 11 2HB DPH 11 4.157 0.529 6.328
63 HB3 DPN 11 3HB DPH 11 3.405 1.824 5.401
64 HD1 DPN 11 1HD DPH 11 6.637 0.926 7.020
65 HD2 DPN 11 2HD DPH 11 3.930 4.013 5.892
66 HE1 DPN 11 1HE DPH 11 8.027 2.575 8.205
67 HE2 DPN 11 2HE DPH 11 5.316 5.666 7.077
68 HZ DPN 11 HZ DPH 11 7.368 4.947 8.234
69 HA MMO 12 HA NAR 12 5.198 3.349 1.267
70 HCB1 MMO 12 2HB NAR 12 8.171 2.799 1.311
71 HCB2 MMO 12 3HB NAR 12 7.385 4.229 0.656
72 HCG1 MMO 12 2HG NAR 12 6.542 4.734 2.941
73 HCG2 MMO 12 3HG NAR 12 7.510 3.387 3.540
74 HCD1 MMO 12 2HD NAR 12 9.518 4.497 2.548
75 HCD2 MMO 12 3HD NAR 12 8.499 5.888 2.182
76 HH21 MMO 12 1HH2 NAR 12 9.304 6.539 6.474
77 HH22 MMO 12 2HH2 NAR 12 10.328 7.829 5.939
78 HH11 MMO 12 1HH1 NAR 12 10.111 6.981 2.552
79 HC1 MMO 12 2HN NAR 12 7.249 0.347 3.147
80 HC2 MMO 12 3HN NAR 12 7.293 0.449 1.372
81 HC3 MMO 12 H NAR 12 5.955 -0.399 2.181
82 HE MMO 12 HE NAR 12 8.422 5.097 4.944
83 HH12 MMO 12 2HH1 NAR 12 10.786 8.082 3.708
84 H TRP 13 H TRP 13 4.070 2.209 -0.301
85 HA TRP 13 HA TRP 13 5.661 1.410 -2.595
86 HB3 TRP 13 2HB TRP 13 4.076 -0.681 -2.759
87 HD1 TRP 13 HD TRP 13 5.924 -1.372 0.429
88 HE1 TRP 13 1HE TRP 13 8.163 -2.526 -0.098
89 HE3 TRP 13 3HE TRP 13 6.023 -0.682 -4.637
90 HZ2 TRP 13 2HZ TRP 13 9.761 -3.071 -2.362
91 HZ3 TRP 13 3HZ TRP 13 7.942 -1.548 -5.909
92 HH2 TRP 13 HH TRP 13 9.772 -2.717 -4.792
93 H ARG 14 H ARG 14 4.310 1.070 -4.536
94 HA ARG 14 HA ARG 14 2.364 3.132 -4.765
95 HB3 ARG 14 2HB ARG 14 2.084 2.280 -7.083
96 HG3 ARG 14 2HG ARG 14 5.005 2.353 -6.380
97 HD3 ARG 14 2HD ARG 14 3.611 3.500 -8.780
98 HE ARG 14 HE ARG 14 6.307 2.614 -9.049
99 HH11 ARG 14 1HH2 ARG 14 7.945 4.185 -9.286
100 HH12 ARG 14 2HH2 ARG 14 7.618 5.829 -8.854
101 HH21 ARG 14 1HH1 ARG 14 4.317 5.218 -7.871
102 HH22 ARG 14 2HH1 ARG 14 5.555 6.418 -8.049
Start of MODEL 3
1 H1 CYS 1 H CYS 1 -0.223 2.481 -4.108
2 HA CYS 1 HA CYS 1 0.312 0.129 -2.414
3 HB3 CYS 1 2HB CYS 1 -1.888 0.860 -1.251
4 H THR 2 H THR 2 -1.995 -1.002 -2.039
5 HA THR 2 HA THR 2 -2.815 -1.830 -4.697
6 HB THR 2 HB THR 2 -4.126 -3.575 -3.494
7 HG1 THR 2 1HG THR 2 -2.813 -2.756 -1.125
8 HG21 THR 2 1HG2 THR 2 -1.201 -3.312 -2.795
9 HG22 THR 2 2HG2 THR 2 -1.897 -4.128 -4.196
10 HG23 THR 2 3HG2 THR 2 -2.141 -4.786 -2.579
11 H ALA 3 H ALA 3 -4.994 -1.913 -5.398
12 HA ALA 3 HA ALA 3 -6.553 0.361 -4.529
13 HB1 ALA 3 1HB ALA 3 -7.607 -1.553 -6.540
14 HB2 ALA 3 2HB ALA 3 -7.660 0.209 -6.516
15 HB3 ALA 3 3HB ALA 3 -6.167 -0.622 -6.955
16 H SER 4 H SER 4 -6.512 -1.174 -2.386
17 HA SER 4 HA SER 4 -9.010 -2.728 -2.395
18 HB3 SER 4 2HB SER 4 -7.504 -4.210 -1.507
19 HG SER 4 HG SER 4 -5.557 -3.558 -1.112
20 H ILE 5 H ILE 5 -10.152 -2.666 -0.188
21 HA ILE 5 HA ILE 5 -10.045 -0.008 1.035
22 HB ILE 5 HB ILE 5 -12.606 -1.246 0.021
23 HG13 ILE 5 2HG1 ILE 5 -10.742 0.788 -1.085
24 HG21 ILE 5 1HG2 ILE 5 -11.994 1.081 1.766
25 HG22 ILE 5 2HG2 ILE 5 -13.345 1.205 0.644
26 HG23 ILE 5 3HG2 ILE 5 -13.318 -0.079 1.852
27 HD11 ILE 5 1HD1 ILE 5 -10.816 -0.664 -2.753
28 HD12 ILE 5 2HD1 ILE 5 -12.178 -1.523 -2.033
29 HD13 ILE 5 3HD1 ILE 5 -12.465 -0.117 -3.058
30 HA PRO 6 HA PRO 6 -9.398 0.600 2.688
31 HB3 PRO 6 2HB PRO 6 -9.098 0.651 4.966
32 HG3 PRO 6 2HG PRO 6 -9.170 -1.300 6.229
33 HD3 PRO 6 2HD PRO 6 -11.120 -1.538 5.020
34 HA PRO 7 HA PRO 7 -6.111 -0.750 0.099
35 HB3 PRO 7 2HB PRO 7 -5.575 1.459 -0.230
36 HG3 PRO 7 2HG PRO 7 -5.696 2.994 1.512
37 HD3 PRO 7 2HD PRO 7 -7.771 2.012 1.706
38 H ILE 8 H ILE 8 -4.074 -1.809 0.018
39 HA ILE 8 HA ILE 8 -3.063 -2.682 2.646
40 HB ILE 8 HB ILE 8 -3.102 -4.308 0.102
41 HG13 ILE 8 2HG1 ILE 8 -4.833 -5.650 1.171
42 HG21 ILE 8 1HG2 ILE 8 -1.384 -5.297 1.181
43 HG22 ILE 8 2HG2 ILE 8 -1.867 -4.665 2.754
44 HG23 ILE 8 3HG2 ILE 8 -2.682 -6.078 2.083
45 HD11 ILE 8 1HD1 ILE 8 -5.972 -4.870 3.198
46 HD12 ILE 8 2HD1 ILE 8 -4.308 -5.368 3.507
47 HD13 ILE 8 3HD1 ILE 8 -4.714 -3.654 3.418
48 H CYS 9 H CYS 9 -1.077 -1.991 3.039
49 HA CYS 9 HA CYS 9 0.854 -1.883 0.829
50 HB3 CYS 9 2HB CYS 9 1.566 0.274 1.314
51 HA E9V 10 HA NHI 10 3.415 -3.285 4.127
52 HB2 E9V 10 2HB NHI 10 4.145 -4.113 1.654
53 HB3 E9V 10 3HB NHI 10 5.633 -3.324 2.170
54 HD1 E9V 10 1HD NHI 10 4.875 -4.300 5.266
55 HD2 E9V 10 2HD NHI 10 5.573 -6.581 1.864
56 HE1 E9V 10 1HE NHI 10 5.568 -6.567 6.106
57 3HN E9V 10 3HN NHI 10 4.091 -2.050 0.762
58 H1 E9V 10 H NHI 10 3.569 -0.489 1.439
59 2HN E9V 10 2HN NHI 10 2.415 -1.497 0.534
60 H DPN 11 H DPH 11 3.486 -0.283 3.445
61 HA DPN 11 HA DPH 11 6.155 0.310 4.526
62 HB2 DPN 11 2HB DPH 11 4.130 0.336 6.199
63 HB3 DPN 11 3HB DPH 11 3.782 1.888 5.444
64 HD1 DPN 11 1HD DPH 11 5.293 0.442 8.159
65 HD2 DPN 11 2HD DPH 11 6.057 3.362 5.158
66 HE1 DPN 11 1HE DPH 11 6.942 1.520 9.633
67 HE2 DPN 11 2HE DPH 11 7.705 4.447 6.628
68 HZ DPN 11 HZ DPH 11 8.150 3.526 8.869
69 HA MMO 12 HA NAR 12 5.304 3.302 1.320
70 HCB1 MMO 12 2HB NAR 12 8.205 2.681 1.718
71 HCB2 MMO 12 3HB NAR 12 7.724 3.792 0.442
72 HCG1 MMO 12 2HG NAR 12 6.428 4.430 2.944
73 HCG2 MMO 12 3HG NAR 12 8.186 4.409 3.102
74 HCD1 MMO 12 2HD NAR 12 8.465 6.195 1.736
75 HCD2 MMO 12 3HD NAR 12 7.093 5.764 0.716
76 HH21 MMO 12 1HH2 NAR 12 5.105 8.520 3.531
77 HH22 MMO 12 2HH2 NAR 12 3.636 7.970 2.798
78 HH11 MMO 12 1HH1 NAR 12 5.170 5.429 0.951
79 HC1 MMO 12 2HN NAR 12 7.361 0.203 3.025
80 HC2 MMO 12 3HN NAR 12 7.343 0.363 1.253
81 HC3 MMO 12 H NAR 12 6.022 -0.490 2.083
82 HE MMO 12 HE NAR 12 7.071 7.481 3.022
83 HH12 MMO 12 2HH1 NAR 12 3.671 6.211 1.332
84 H TRP 13 H TRP 13 4.094 2.246 -0.243
85 HA TRP 13 HA TRP 13 5.555 1.543 -2.639
86 HB3 TRP 13 2HB TRP 13 4.034 -0.592 -2.798
87 HD1 TRP 13 HD TRP 13 6.061 -1.369 0.252
88 HE1 TRP 13 1HE TRP 13 8.309 -2.417 -0.435
89 HE3 TRP 13 3HE TRP 13 5.895 -0.418 -4.767
90 HZ2 TRP 13 2HZ TRP 13 9.812 -2.789 -2.795
91 HZ3 TRP 13 3HZ TRP 13 7.778 -1.152 -6.170
92 HH2 TRP 13 HH TRP 13 9.696 -2.312 -5.201
93 H ARG 14 H ARG 14 4.255 1.554 -4.529
94 HA ARG 14 HA ARG 14 2.129 3.416 -4.462
95 HB3 ARG 14 2HB ARG 14 3.448 3.297 -6.439
96 HG3 ARG 14 2HG ARG 14 2.742 0.935 -7.745
97 HD3 ARG 14 2HD ARG 14 5.378 1.149 -6.398
98 HE ARG 14 HE ARG 14 4.467 -0.090 -8.710
99 HH11 ARG 14 1HH2 ARG 14 5.907 -0.890 -10.287
100 HH12 ARG 14 2HH2 ARG 14 7.511 -0.245 -10.383
101 HH21 ARG 14 1HH1 ARG 14 7.076 2.000 -7.737
102 HH22 ARG 14 2HH1 ARG 14 8.177 1.398 -8.931
Start of MODEL 4
1 H1 CYS 1 H CYS 1 0.213 2.585 -3.963
2 HA CYS 1 HA CYS 1 0.264 0.126 -2.378
3 HB3 CYS 1 2HB CYS 1 -1.935 1.251 -1.471
4 H THR 2 H THR 2 -1.947 -0.955 -2.126
5 HA THR 2 HA THR 2 -2.878 -1.635 -4.789
6 HB THR 2 HB THR 2 -4.171 -3.416 -3.641
7 HG1 THR 2 1HG THR 2 -2.821 -2.732 -1.254
8 HG21 THR 2 1HG2 THR 2 -2.054 -4.534 -2.589
9 HG22 THR 2 2HG2 THR 2 -1.222 -3.130 -3.256
10 HG23 THR 2 3HG2 THR 2 -2.113 -4.214 -4.321
11 H ALA 3 H ALA 3 -5.050 -1.575 -5.454
12 HA ALA 3 HA ALA 3 -6.539 0.656 -4.377
13 HB1 ALA 3 1HB ALA 3 -6.242 0.072 -6.852
14 HB2 ALA 3 2HB ALA 3 -7.486 -1.148 -6.577
15 HB3 ALA 3 3HB ALA 3 -7.848 0.556 -6.308
16 H SER 4 H SER 4 -6.509 -1.021 -2.354
17 HA SER 4 HA SER 4 -9.034 -2.529 -2.440
18 HB3 SER 4 2HB SER 4 -7.542 -4.094 -1.676
19 HG SER 4 HG SER 4 -5.659 -2.955 -1.703
20 H ILE 5 H ILE 5 -10.151 -2.602 -0.222
21 HA ILE 5 HA ILE 5 -9.982 -0.039 1.183
22 HB ILE 5 HB ILE 5 -12.562 -1.157 0.077
23 HG13 ILE 5 2HG1 ILE 5 -11.157 -0.056 -1.624
24 HG21 ILE 5 1HG2 ILE 5 -13.598 -0.003 1.662
25 HG22 ILE 5 2HG2 ILE 5 -12.051 0.545 2.306
26 HG23 ILE 5 3HG2 ILE 5 -12.862 1.477 1.048
27 HD11 ILE 5 1HD1 ILE 5 -13.168 2.046 -1.096
28 HD12 ILE 5 2HD1 ILE 5 -12.786 1.182 -2.586
29 HD13 ILE 5 3HD1 ILE 5 -13.754 0.399 -1.337
30 HA PRO 6 HA PRO 6 -9.311 0.442 2.867
31 HB3 PRO 6 2HB PRO 6 -8.988 0.326 5.140
32 HG3 PRO 6 2HG PRO 6 -9.083 -1.708 6.263
33 HD3 PRO 6 2HD PRO 6 -11.047 -1.825 5.063
34 HA PRO 7 HA PRO 7 -6.071 -0.779 0.157
35 HB3 PRO 7 2HB PRO 7 -5.498 1.437 -0.019
36 HG3 PRO 7 2HG PRO 7 -5.573 2.846 1.829
37 HD3 PRO 7 2HD PRO 7 -7.665 1.890 1.974
38 H ILE 8 H ILE 8 -4.070 -1.882 -0.022
39 HA ILE 8 HA ILE 8 -3.063 -2.970 2.527
40 HB ILE 8 HB ILE 8 -3.102 -4.374 -0.147
41 HG13 ILE 8 2HG1 ILE 8 -5.360 -4.036 0.899
42 HG21 ILE 8 1HG2 ILE 8 -2.784 -6.112 2.087
43 HG22 ILE 8 2HG2 ILE 8 -1.679 -5.824 0.744
44 HG23 ILE 8 3HG2 ILE 8 -1.584 -4.823 2.193
45 HD11 ILE 8 1HD1 ILE 8 -4.515 -6.919 0.985
46 HD12 ILE 8 2HD1 ILE 8 -6.137 -6.277 0.713
47 HD13 ILE 8 3HD1 ILE 8 -4.877 -6.038 -0.499
48 H CYS 9 H CYS 9 -1.191 -1.977 2.941
49 HA CYS 9 HA CYS 9 0.838 -1.933 0.812
50 HB3 CYS 9 2HB CYS 9 1.487 0.255 1.277
51 HA E9V 10 HA NHI 10 3.308 -3.156 4.246
52 HB2 E9V 10 2HB NHI 10 4.070 -4.245 2.009
53 HB3 E9V 10 3HB NHI 10 5.451 -3.161 2.143
54 HD1 E9V 10 1HD NHI 10 3.797 -5.101 4.952
55 HD2 E9V 10 2HD NHI 10 7.405 -4.901 2.901
56 HE1 E9V 10 1HE NHI 10 5.350 -6.658 6.170
57 3HN E9V 10 3HN NHI 10 4.074 -2.025 0.866
58 H1 E9V 10 H NHI 10 3.490 -0.455 1.467
59 2HN E9V 10 2HN NHI 10 2.394 -1.523 0.558
60 H DPN 11 H DPH 11 3.330 -0.177 3.454
61 HA DPN 11 HA DPH 11 5.939 0.522 4.620
62 HB2 DPN 11 2HB DPH 11 3.845 0.564 6.204
63 HB3 DPN 11 3HB DPH 11 3.491 2.077 5.372
64 HD1 DPN 11 1HD DPH 11 4.895 0.798 8.215
65 HD2 DPN 11 2HD DPH 11 5.765 3.577 5.110
66 HE1 DPN 11 1HE DPH 11 6.453 1.976 9.711
67 HE2 DPN 11 2HE DPH 11 7.324 4.760 6.602
68 HZ DPN 11 HZ DPH 11 7.670 3.960 8.906
69 HA MMO 12 HA NAR 12 5.156 3.361 1.259
70 HCB1 MMO 12 2HB NAR 12 8.120 2.818 1.502
71 HCB2 MMO 12 3HB NAR 12 7.426 4.144 0.580
72 HCG1 MMO 12 2HG NAR 12 7.081 3.731 3.543
73 HCG2 MMO 12 3HG NAR 12 8.233 4.838 2.793
74 HCD1 MMO 12 2HD NAR 12 5.231 4.948 2.526
75 HCD2 MMO 12 3HD NAR 12 6.221 6.013 3.523
76 HH21 MMO 12 1HH2 NAR 12 6.794 7.917 -0.417
77 HH22 MMO 12 2HH2 NAR 12 8.002 8.864 0.386
78 HH11 MMO 12 1HH1 NAR 12 7.903 7.006 3.346
79 HC1 MMO 12 2HN NAR 12 7.271 0.476 1.404
80 HC2 MMO 12 3HN NAR 12 5.931 -0.375 2.209
81 HC3 MMO 12 H NAR 12 7.212 0.388 3.181
82 HE MMO 12 HE NAR 12 5.839 6.156 0.674
83 HH12 MMO 12 2HH1 NAR 12 8.633 8.346 2.525
84 H TRP 13 H TRP 13 4.055 2.200 -0.313
85 HA TRP 13 HA TRP 13 5.686 1.386 -2.578
86 HB3 TRP 13 2HB TRP 13 4.082 -0.697 -2.749
87 HD1 TRP 13 HD TRP 13 5.936 -1.337 0.456
88 HE1 TRP 13 1HE TRP 13 8.164 -2.523 -0.056
89 HE3 TRP 13 3HE TRP 13 6.005 -0.774 -4.625
90 HZ2 TRP 13 2HZ TRP 13 9.741 -3.137 -2.315
91 HZ3 TRP 13 3HZ TRP 13 7.910 -1.689 -5.887
92 HH2 TRP 13 HH TRP 13 9.739 -2.845 -4.754
93 H ARG 14 H ARG 14 4.314 0.954 -4.525
94 HA ARG 14 HA ARG 14 2.416 3.057 -4.831
95 HB3 ARG 14 2HB ARG 14 2.131 2.133 -7.124
96 HG3 ARG 14 2HG ARG 14 4.642 2.150 -7.751
97 HD3 ARG 14 2HD ARG 14 4.739 4.641 -7.238
98 HE ARG 14 HE ARG 14 3.044 3.337 -9.045
99 HH11 ARG 14 1HH2 ARG 14 2.085 4.480 -10.771
100 HH12 ARG 14 2HH2 ARG 14 1.935 6.202 -10.673
101 HH21 ARG 14 1HH1 ARG 14 3.424 6.441 -7.518
102 HH22 ARG 14 2HH1 ARG 14 2.697 7.318 -8.822
Start of MODEL 5
1 H1 CYS 1 H CYS 1 0.234 2.632 -3.912
2 HA CYS 1 HA CYS 1 0.281 0.141 -2.402
3 HB3 CYS 1 2HB CYS 1 -1.925 1.249 -1.479
4 H THR 2 H THR 2 -1.933 -0.943 -2.127
5 HA THR 2 HA THR 2 -2.872 -1.639 -4.785
6 HB THR 2 HB THR 2 -4.153 -3.421 -3.631
7 HG1 THR 2 1HG THR 2 -2.819 -2.734 -1.238
8 HG21 THR 2 1HG2 THR 2 -2.231 -4.743 -2.917
9 HG22 THR 2 2HG2 THR 2 -1.252 -3.280 -2.798
10 HG23 THR 2 3HG2 THR 2 -1.839 -3.822 -4.369
11 H ALA 3 H ALA 3 -5.047 -1.586 -5.442
12 HA ALA 3 HA ALA 3 -6.536 0.645 -4.371
13 HB1 ALA 3 1HB ALA 3 -6.225 -0.075 -6.863
14 HB2 ALA 3 2HB ALA 3 -7.600 -1.124 -6.523
15 HB3 ALA 3 3HB ALA 3 -7.753 0.620 -6.322
16 H SER 4 H SER 4 -6.493 -1.035 -2.346
17 HA SER 4 HA SER 4 -9.020 -2.540 -2.420
18 HB3 SER 4 2HB SER 4 -7.517 -4.105 -1.672
19 HG SER 4 HG SER 4 -5.574 -3.308 -1.493
20 H ILE 5 H ILE 5 -10.189 -2.586 -0.263
21 HA ILE 5 HA ILE 5 -9.987 -0.037 1.171
22 HB ILE 5 HB ILE 5 -12.613 -1.134 0.165
23 HG13 ILE 5 2HG1 ILE 5 -12.643 0.703 -1.416
24 HG21 ILE 5 1HG2 ILE 5 -13.299 1.266 0.843
25 HG22 ILE 5 2HG2 ILE 5 -13.101 0.046 2.099
26 HG23 ILE 5 3HG2 ILE 5 -11.829 1.234 1.817
27 HD11 ILE 5 1HD1 ILE 5 -10.359 1.883 -1.777
28 HD12 ILE 5 2HD1 ILE 5 -11.489 2.501 -0.572
29 HD13 ILE 5 3HD1 ILE 5 -10.114 1.519 -0.068
30 HA PRO 6 HA PRO 6 -9.323 0.444 2.859
31 HB3 PRO 6 2HB PRO 6 -9.010 0.324 5.133
32 HG3 PRO 6 2HG PRO 6 -9.113 -1.710 6.253
33 HD3 PRO 6 2HD PRO 6 -11.074 -1.823 5.046
34 HA PRO 7 HA PRO 7 -6.078 -0.783 0.158
35 HB3 PRO 7 2HB PRO 7 -5.500 1.434 -0.014
36 HG3 PRO 7 2HG PRO 7 -5.579 2.843 1.834
37 HD3 PRO 7 2HD PRO 7 -7.674 1.890 1.971
38 H ILE 8 H ILE 8 -4.059 -1.868 -0.011
39 HA ILE 8 HA ILE 8 -3.064 -2.958 2.541
40 HB ILE 8 HB ILE 8 -3.136 -4.368 -0.131
41 HG13 ILE 8 2HG1 ILE 8 -4.861 -5.782 0.846
42 HG21 ILE 8 1HG2 ILE 8 -2.214 -5.244 2.598
43 HG22 ILE 8 2HG2 ILE 8 -2.507 -6.354 1.259
44 HG23 ILE 8 3HG2 ILE 8 -1.254 -5.119 1.125
45 HD11 ILE 8 1HD1 ILE 8 -5.801 -4.361 3.043
46 HD12 ILE 8 2HD1 ILE 8 -5.072 -5.966 3.040
47 HD13 ILE 8 3HD1 ILE 8 -4.070 -4.543 3.318
48 H CYS 9 H CYS 9 -1.189 -1.971 2.950
49 HA CYS 9 HA CYS 9 0.838 -1.939 0.818
50 HB3 CYS 9 2HB CYS 9 1.493 0.251 1.277
51 HA E9V 10 HA NHI 10 3.307 -3.158 4.254
52 HB2 E9V 10 2HB NHI 10 5.341 -3.171 2.023
53 HB3 E9V 10 3HB NHI 10 5.278 -4.230 3.429
54 HD1 E9V 10 1HD NHI 10 4.681 -4.377 -0.015
55 HD2 E9V 10 2HD NHI 10 2.563 -5.705 3.304
56 HE1 E9V 10 1HE NHI 10 3.138 -6.167 -0.875
57 3HN E9V 10 3HN NHI 10 4.074 -2.036 0.870
58 H1 E9V 10 H NHI 10 3.494 -0.462 1.466
59 2HN E9V 10 2HN NHI 10 2.396 -1.533 0.563
60 H DPN 11 H DPH 11 3.335 -0.180 3.454
61 HA DPN 11 HA DPH 11 5.943 0.519 4.618
62 HB2 DPN 11 2HB DPH 11 4.269 0.614 6.401
63 HB3 DPN 11 3HB DPH 11 3.266 1.677 5.418
64 HD1 DPN 11 1HD DPH 11 6.908 1.653 6.228
65 HD2 DPN 11 2HD DPH 11 3.219 3.774 6.348
66 HE1 DPN 11 1HE DPH 11 8.065 3.607 7.175
67 HE2 DPN 11 2HE DPH 11 4.371 5.731 7.294
68 HZ DPN 11 HZ DPH 11 6.796 5.649 7.709
69 HA MMO 12 HA NAR 12 5.164 3.352 1.253
70 HCB1 MMO 12 2HB NAR 12 8.099 2.800 1.650
71 HCB2 MMO 12 3HB NAR 12 7.523 4.001 0.503
72 HCG1 MMO 12 2HG NAR 12 6.551 4.131 3.310
73 HCG2 MMO 12 3HG NAR 12 8.194 4.664 2.950
74 HCD1 MMO 12 2HD NAR 12 6.906 6.604 2.754
75 HCD2 MMO 12 3HD NAR 12 7.132 6.066 1.090
76 HH21 MMO 12 1HH2 NAR 12 2.738 5.844 1.462
77 HH22 MMO 12 2HH2 NAR 12 2.724 7.248 0.447
78 HH11 MMO 12 1HH1 NAR 12 6.184 7.739 0.591
79 HC1 MMO 12 2HN NAR 12 7.214 0.376 3.177
80 HC2 MMO 12 3HN NAR 12 7.272 0.464 1.400
81 HC3 MMO 12 H NAR 12 5.930 -0.386 2.206
82 HE MMO 12 HE NAR 12 4.719 5.082 2.298
83 HH12 MMO 12 2HH1 NAR 12 4.683 8.326 -0.049
84 H TRP 13 H TRP 13 4.056 2.201 -0.317
85 HA TRP 13 HA TRP 13 5.675 1.372 -2.582
86 HB3 TRP 13 2HB TRP 13 4.049 -0.697 -2.746
87 HD1 TRP 13 HD TRP 13 5.926 -1.342 0.448
88 HE1 TRP 13 1HE TRP 13 8.136 -2.550 -0.078
89 HE3 TRP 13 3HE TRP 13 5.951 -0.811 -4.637
90 HZ2 TRP 13 2HZ TRP 13 9.685 -3.193 -2.349
91 HZ3 TRP 13 3HZ TRP 13 7.833 -1.751 -5.912
92 HH2 TRP 13 HH TRP 13 9.661 -2.917 -4.789
93 H ARG 14 H ARG 14 4.317 0.977 -4.533
94 HA ARG 14 HA ARG 14 2.423 3.082 -4.830
95 HB3 ARG 14 2HB ARG 14 2.184 2.267 -7.129
96 HG3 ARG 14 2HG ARG 14 4.877 2.617 -5.962
97 HD3 ARG 14 2HD ARG 14 4.343 1.450 -8.677
98 HE ARG 14 HE ARG 14 7.014 2.355 -8.325
99 HH11 ARG 14 1HH2 ARG 14 7.786 4.042 -9.652
100 HH12 ARG 14 2HH2 ARG 14 6.658 5.051 -10.491
101 HH21 ARG 14 1HH1 ARG 14 3.828 3.409 -9.255
102 HH22 ARG 14 2HH1 ARG 14 4.407 4.693 -10.264
Start of MODEL 6
1 H1 CYS 1 H CYS 1 0.553 2.618 -3.731
2 HA CYS 1 HA CYS 1 0.247 0.134 -2.352
3 HB3 CYS 1 2HB CYS 1 -1.932 1.426 -1.566
4 H THR 2 H THR 2 -1.921 -0.934 -2.152
5 HA THR 2 HA THR 2 -2.898 -1.549 -4.814
6 HB THR 2 HB THR 2 -4.104 -3.388 -3.772
7 HG1 THR 2 1HG THR 2 -4.713 -2.489 -1.809
8 HG21 THR 2 1HG2 THR 2 -1.747 -3.752 -4.288
9 HG22 THR 2 2HG2 THR 2 -2.200 -4.630 -2.827
10 HG23 THR 2 3HG2 THR 2 -1.290 -3.126 -2.705
11 H ALA 3 H ALA 3 -5.063 -1.423 -5.464
12 HA ALA 3 HA ALA 3 -6.522 0.780 -4.294
13 HB1 ALA 3 1HB ALA 3 -6.935 -0.919 -6.736
14 HB2 ALA 3 2HB ALA 3 -8.133 0.259 -6.199
15 HB3 ALA 3 3HB ALA 3 -6.510 0.791 -6.639
16 H SER 4 H SER 4 -6.504 -0.973 -2.339
17 HA SER 4 HA SER 4 -9.044 -2.452 -2.474
18 HB3 SER 4 2HB SER 4 -7.485 -4.031 -1.816
19 HG SER 4 HG SER 4 -6.094 -2.741 0.117
20 H ILE 5 H ILE 5 -10.150 -2.602 -0.252
21 HA ILE 5 HA ILE 5 -9.959 -0.088 1.239
22 HB ILE 5 HB ILE 5 -12.560 -1.170 0.148
23 HG13 ILE 5 2HG1 ILE 5 -11.201 -0.066 -1.574
24 HG21 ILE 5 1HG2 ILE 5 -12.809 -0.187 2.363
25 HG22 ILE 5 2HG2 ILE 5 -11.996 1.278 1.814
26 HG23 ILE 5 3HG2 ILE 5 -13.562 0.831 1.135
27 HD11 ILE 5 1HD1 ILE 5 -12.745 1.475 -2.395
28 HD12 ILE 5 2HD1 ILE 5 -13.709 0.352 -1.435
29 HD13 ILE 5 3HD1 ILE 5 -13.283 1.932 -0.779
30 HA PRO 6 HA PRO 6 -9.297 0.358 2.937
31 HB3 PRO 6 2HB PRO 6 -8.966 0.181 5.203
32 HG3 PRO 6 2HG PRO 6 -9.033 -1.886 6.267
33 HD3 PRO 6 2HD PRO 6 -11.000 -1.990 5.071
34 HA PRO 7 HA PRO 7 -6.054 -0.744 0.181
35 HB3 PRO 7 2HB PRO 7 -5.505 1.483 0.070
36 HG3 PRO 7 2HG PRO 7 -5.589 2.835 1.960
37 HD3 PRO 7 2HD PRO 7 -7.670 1.852 2.083
38 H ILE 8 H ILE 8 -4.132 -1.916 -0.040
39 HA ILE 8 HA ILE 8 -3.076 -3.038 2.472
40 HB ILE 8 HB ILE 8 -3.212 -4.336 -0.251
41 HG13 ILE 8 2HG1 ILE 8 -5.292 -4.052 1.394
42 HG21 ILE 8 1HG2 ILE 8 -1.476 -5.534 0.485
43 HG22 ILE 8 2HG2 ILE 8 -1.647 -4.926 2.130
44 HG23 ILE 8 3HG2 ILE 8 -2.623 -6.291 1.588
45 HD11 ILE 8 1HD1 ILE 8 -4.952 -5.531 -0.770
46 HD12 ILE 8 2HD1 ILE 8 -5.008 -6.832 0.421
47 HD13 ILE 8 3HD1 ILE 8 -6.360 -5.708 0.278
48 H CYS 9 H CYS 9 -1.208 -2.051 2.915
49 HA CYS 9 HA CYS 9 0.834 -1.974 0.804
50 HB3 CYS 9 2HB CYS 9 1.455 0.230 1.251
51 HA E9V 10 HA NHI 10 3.272 -3.113 4.290
52 HB2 E9V 10 2HB NHI 10 5.312 -3.124 2.061
53 HB3 E9V 10 3HB NHI 10 5.300 -4.135 3.504
54 HD1 E9V 10 1HD NHI 10 2.682 -5.451 3.547
55 HD2 E9V 10 2HD NHI 10 4.635 -4.668 -0.036
56 HE1 E9V 10 1HE NHI 10 1.699 -7.056 1.881
57 3HN E9V 10 3HN NHI 10 4.069 -2.026 0.902
58 H1 E9V 10 H NHI 10 3.458 -0.453 1.467
59 2HN E9V 10 2HN NHI 10 2.389 -1.550 0.564
60 H DPN 11 H DPH 11 3.266 -0.144 3.446
61 HA DPN 11 HA DPH 11 5.841 0.610 4.650
62 HB2 DPN 11 2HB DPH 11 3.897 0.654 6.292
63 HB3 DPN 11 3HB DPH 11 3.237 1.974 5.332
64 HD1 DPN 11 1HD DPH 11 6.616 1.097 6.662
65 HD2 DPN 11 2HD DPH 11 3.541 4.018 6.308
66 HE1 DPN 11 1HE DPH 11 7.995 2.698 7.922
67 HE2 DPN 11 2HE DPH 11 4.915 5.623 7.569
68 HZ DPN 11 HZ DPH 11 7.145 4.964 8.378
69 HA MMO 12 HA NAR 12 5.094 3.377 1.223
70 HCB1 MMO 12 2HB NAR 12 8.076 2.919 1.260
71 HCB2 MMO 12 3HB NAR 12 7.221 4.361 0.732
72 HCG1 MMO 12 2HG NAR 12 6.384 4.555 3.123
73 HCG2 MMO 12 3HG NAR 12 7.598 3.338 3.525
74 HCD1 MMO 12 2HD NAR 12 8.448 5.590 3.912
75 HCD2 MMO 12 3HD NAR 12 9.351 4.782 2.632
76 HH21 MMO 12 1HH2 NAR 12 7.724 8.261 0.454
77 HH22 MMO 12 2HH2 NAR 12 9.339 8.882 0.518
78 HH11 MMO 12 1HH1 NAR 12 10.511 6.413 2.700
79 HC1 MMO 12 2HN NAR 12 7.145 0.465 3.242
80 HC2 MMO 12 3HN NAR 12 7.242 0.526 1.466
81 HC3 MMO 12 H NAR 12 5.896 -0.332 2.253
82 HE MMO 12 HE NAR 12 7.190 6.394 1.650
83 HH12 MMO 12 2HH1 NAR 12 10.925 7.831 1.794
84 H TRP 13 H TRP 13 4.042 2.177 -0.352
85 HA TRP 13 HA TRP 13 5.739 1.323 -2.556
86 HB3 TRP 13 2HB TRP 13 4.085 -0.742 -2.721
87 HD1 TRP 13 HD TRP 13 5.935 -1.404 0.472
88 HE1 TRP 13 1HE TRP 13 8.150 -2.612 -0.040
89 HE3 TRP 13 3HE TRP 13 6.022 -0.819 -4.606
90 HZ2 TRP 13 2HZ TRP 13 9.724 -3.234 -2.299
91 HZ3 TRP 13 3HZ TRP 13 7.919 -1.748 -5.867
92 HH2 TRP 13 HH TRP 13 9.731 -2.930 -4.736
93 H ARG 14 H ARG 14 4.323 0.718 -4.499
94 HA ARG 14 HA ARG 14 2.531 2.891 -4.968
95 HB3 ARG 14 2HB ARG 14 2.151 1.614 -7.171
96 HG3 ARG 14 2HG ARG 14 4.610 1.964 -7.891
97 HD3 ARG 14 2HD ARG 14 3.312 4.402 -6.731
98 HE ARG 14 HE ARG 14 5.301 4.081 -8.621
99 HH11 ARG 14 1HH2 ARG 14 5.848 5.721 -10.108
100 HH12 ARG 14 2HH2 ARG 14 4.678 6.933 -10.508
101 HH21 ARG 14 1HH1 ARG 14 2.194 5.637 -8.417
102 HH22 ARG 14 2HH1 ARG 14 2.600 6.887 -9.545
Start of MODEL 7
1 H1 CYS 1 H CYS 1 0.361 2.576 -3.951
2 HA CYS 1 HA CYS 1 0.284 0.134 -2.365
3 HB3 CYS 1 2HB CYS 1 -1.895 1.382 -1.527
4 H THR 2 H THR 2 -1.917 -0.911 -2.100
5 HA THR 2 HA THR 2 -2.899 -1.594 -4.744
6 HB THR 2 HB THR 2 -4.105 -3.402 -3.659
7 HG1 THR 2 1HG THR 2 -4.674 -2.307 -1.721
8 HG21 THR 2 1HG2 THR 2 -2.223 -4.594 -3.618
9 HG22 THR 2 2HG2 THR 2 -1.727 -3.834 -2.107
10 HG23 THR 2 3HG2 THR 2 -1.313 -3.085 -3.649
11 H ALA 3 H ALA 3 -5.033 -1.416 -5.429
12 HA ALA 3 HA ALA 3 -6.496 0.791 -4.272
13 HB1 ALA 3 1HB ALA 3 -7.442 -0.893 -6.567
14 HB2 ALA 3 2HB ALA 3 -7.777 0.804 -6.225
15 HB3 ALA 3 3HB ALA 3 -6.174 0.316 -6.769
16 H SER 4 H SER 4 -6.523 -0.983 -2.332
17 HA SER 4 HA SER 4 -9.075 -2.435 -2.522
18 HB3 SER 4 2HB SER 4 -7.543 -4.037 -1.857
19 HG SER 4 HG SER 4 -5.741 -3.613 -0.658
20 H ILE 5 H ILE 5 -10.217 -2.595 -0.319
21 HA ILE 5 HA ILE 5 -10.023 -0.101 1.202
22 HB ILE 5 HB ILE 5 -12.607 -1.139 0.035
23 HG13 ILE 5 2HG1 ILE 5 -11.134 0.035 -1.585
24 HG21 ILE 5 1HG2 ILE 5 -12.952 1.430 1.091
25 HG22 ILE 5 2HG2 ILE 5 -13.605 -0.084 1.716
26 HG23 ILE 5 3HG2 ILE 5 -12.061 0.523 2.314
27 HD11 ILE 5 1HD1 ILE 5 -13.819 0.728 -0.994
28 HD12 ILE 5 2HD1 ILE 5 -12.955 2.188 -1.478
29 HD13 ILE 5 3HD1 ILE 5 -12.976 0.781 -2.542
30 HA PRO 6 HA PRO 6 -9.387 0.322 2.917
31 HB3 PRO 6 2HB PRO 6 -9.096 0.114 5.187
32 HG3 PRO 6 2HG PRO 6 -9.204 -1.962 6.226
33 HD3 PRO 6 2HD PRO 6 -11.151 -2.033 4.996
34 HA PRO 7 HA PRO 7 -6.110 -0.787 0.203
35 HB3 PRO 7 2HB PRO 7 -5.539 1.437 0.122
36 HG3 PRO 7 2HG PRO 7 -5.642 2.772 2.023
37 HD3 PRO 7 2HD PRO 7 -7.734 1.806 2.102
38 H ILE 8 H ILE 8 -4.008 -1.771 0.024
39 HA ILE 8 HA ILE 8 -3.044 -2.969 2.538
40 HB ILE 8 HB ILE 8 -3.197 -4.303 -0.167
41 HG13 ILE 8 2HG1 ILE 8 -5.321 -4.012 1.281
42 HG21 ILE 8 1HG2 ILE 8 -1.262 -5.158 0.808
43 HG22 ILE 8 2HG2 ILE 8 -1.949 -5.124 2.430
44 HG23 ILE 8 3HG2 ILE 8 -2.503 -6.326 1.264
45 HD11 ILE 8 1HD1 ILE 8 -5.252 -6.856 1.076
46 HD12 ILE 8 2HD1 ILE 8 -6.127 -5.686 0.088
47 HD13 ILE 8 3HD1 ILE 8 -4.478 -6.144 -0.339
48 H CYS 9 H CYS 9 -1.168 -1.986 2.960
49 HA CYS 9 HA CYS 9 0.861 -1.940 0.835
50 HB3 CYS 9 2HB CYS 9 1.504 0.261 1.276
51 HA E9V 10 HA NHI 10 3.317 -3.088 4.304
52 HB2 E9V 10 2HB NHI 10 5.319 -3.140 2.041
53 HB3 E9V 10 3HB NHI 10 5.338 -4.126 3.500
54 HD1 E9V 10 1HD NHI 10 3.437 -5.982 3.665
55 HD2 E9V 10 2HD NHI 10 3.866 -4.165 -0.047
56 HE1 E9V 10 1HE NHI 10 2.226 -7.475 2.041
57 3HN E9V 10 3HN NHI 10 4.096 -2.022 0.906
58 H1 E9V 10 H NHI 10 3.504 -0.441 1.471
59 2HN E9V 10 2HN NHI 10 2.416 -1.532 0.581
60 H DPN 11 H DPH 11 3.335 -0.125 3.451
61 HA DPN 11 HA DPH 11 5.934 0.604 4.617
62 HB2 DPN 11 2HB DPH 11 4.168 0.703 6.355
63 HB3 DPN 11 3HB DPH 11 3.278 1.849 5.358
64 HD1 DPN 11 1HD DPH 11 6.775 1.457 6.612
65 HD2 DPN 11 2HD DPH 11 3.437 4.031 6.019
66 HE1 DPN 11 1HE DPH 11 8.025 3.311 7.641
67 HE2 DPN 11 2HE DPH 11 4.683 5.888 7.046
68 HZ DPN 11 HZ DPH 11 6.979 5.529 7.860
69 HA MMO 12 HA NAR 12 5.166 3.370 1.191
70 HCB1 MMO 12 2HB NAR 12 8.136 2.846 1.402
71 HCB2 MMO 12 3HB NAR 12 7.404 4.192 0.542
72 HCG1 MMO 12 2HG NAR 12 6.486 5.048 2.625
73 HCG2 MMO 12 3HG NAR 12 7.175 3.679 3.500
74 HCD1 MMO 12 2HD NAR 12 9.405 4.524 2.376
75 HCD2 MMO 12 3HD NAR 12 8.522 6.049 2.304
76 HH21 MMO 12 1HH2 NAR 12 9.577 5.847 6.593
77 HH22 MMO 12 2HH2 NAR 12 11.005 6.751 6.219
78 HH11 MMO 12 1HH1 NAR 12 10.660 6.418 2.756
79 HC1 MMO 12 2HN NAR 12 5.945 -0.343 2.226
80 HC2 MMO 12 3HN NAR 12 7.215 0.445 3.190
81 HC3 MMO 12 H NAR 12 7.287 0.496 1.413
82 HE MMO 12 HE NAR 12 8.318 4.985 4.897
83 HH12 MMO 12 2HH1 NAR 12 11.622 7.076 4.037
84 H TRP 13 H TRP 13 4.080 2.172 -0.364
85 HA TRP 13 HA TRP 13 5.736 1.298 -2.590
86 HB3 TRP 13 2HB TRP 13 4.093 -0.760 -2.736
87 HD1 TRP 13 HD TRP 13 5.931 -1.343 0.495
88 HE1 TRP 13 1HE TRP 13 8.135 -2.586 0.020
89 HE3 TRP 13 3HE TRP 13 6.007 -0.943 -4.602
90 HZ2 TRP 13 2HZ TRP 13 9.698 -3.300 -2.219
91 HZ3 TRP 13 3HZ TRP 13 7.892 -1.933 -5.835
92 HH2 TRP 13 HH TRP 13 9.699 -3.086 -4.666
93 H ARG 14 H ARG 14 4.335 0.764 -4.529
94 HA ARG 14 HA ARG 14 2.516 2.921 -4.948
95 HB3 ARG 14 2HB ARG 14 2.118 1.502 -7.145
96 HG3 ARG 14 2HG ARG 14 3.341 3.608 -7.137
97 HD3 ARG 14 2HD ARG 14 5.627 1.878 -6.220
98 HE ARG 14 HE ARG 14 6.873 3.277 -7.536
99 HH11 ARG 14 1HH2 ARG 14 7.693 5.291 -8.226
100 HH12 ARG 14 2HH2 ARG 14 6.869 6.746 -7.778
101 HH21 ARG 14 1HH1 ARG 14 4.359 5.111 -5.975
102 HH22 ARG 14 2HH1 ARG 14 4.973 6.645 -6.496
Start of MODEL 8
1 H1 CYS 1 H CYS 1 -0.345 2.396 -4.127
2 HA CYS 1 HA CYS 1 0.248 0.109 -2.377
3 HB3 CYS 1 2HB CYS 1 -1.970 0.734 -1.205
4 H THR 2 H THR 2 -2.073 -1.058 -2.033
5 HA THR 2 HA THR 2 -2.810 -1.902 -4.711
6 HB THR 2 HB THR 2 -4.130 -3.662 -3.537
7 HG1 THR 2 1HG THR 2 -4.478 -3.463 -1.464
8 HG21 THR 2 1HG2 THR 2 -2.218 -4.929 -2.751
9 HG22 THR 2 2HG2 THR 2 -1.267 -3.452 -2.599
10 HG23 THR 2 3HG2 THR 2 -1.771 -4.017 -4.191
11 H ALA 3 H ALA 3 -5.025 -2.120 -5.391
12 HA ALA 3 HA ALA 3 -6.607 0.184 -4.654
13 HB1 ALA 3 1HB ALA 3 -7.966 -0.328 -6.537
14 HB2 ALA 3 2HB ALA 3 -6.290 -0.599 -7.018
15 HB3 ALA 3 3HB ALA 3 -7.330 -1.970 -6.629
16 H SER 4 H SER 4 -6.518 -1.257 -2.430
17 HA SER 4 HA SER 4 -9.019 -2.805 -2.332
18 HB3 SER 4 2HB SER 4 -7.500 -4.253 -1.408
19 HG SER 4 HG SER 4 -5.938 -2.736 0.155
20 H ILE 5 H ILE 5 -10.122 -2.646 -0.107
21 HA ILE 5 HA ILE 5 -9.981 0.058 1.006
22 HB ILE 5 HB ILE 5 -12.561 -1.198 0.062
23 HG13 ILE 5 2HG1 ILE 5 -11.182 -0.331 -1.787
24 HG21 ILE 5 1HG2 ILE 5 -12.066 0.713 2.080
25 HG22 ILE 5 2HG2 ILE 5 -12.776 1.570 0.712
26 HG23 ILE 5 3HG2 ILE 5 -13.620 0.194 1.425
27 HD11 ILE 5 1HD1 ILE 5 -13.784 0.200 -1.486
28 HD12 ILE 5 2HD1 ILE 5 -13.153 1.846 -1.553
29 HD13 ILE 5 3HD1 ILE 5 -12.840 0.728 -2.880
30 HA PRO 6 HA PRO 6 -9.311 0.728 2.624
31 HB3 PRO 6 2HB PRO 6 -8.982 0.863 4.894
32 HG3 PRO 6 2HG PRO 6 -9.051 -1.037 6.233
33 HD3 PRO 6 2HD PRO 6 -11.017 -1.306 5.060
34 HA PRO 7 HA PRO 7 -6.061 -0.743 0.054
35 HB3 PRO 7 2HB PRO 7 -5.507 1.448 -0.357
36 HG3 PRO 7 2HG PRO 7 -5.594 3.044 1.333
37 HD3 PRO 7 2HD PRO 7 -7.677 2.090 1.581
38 H ILE 8 H ILE 8 -4.115 -1.912 -0.005
39 HA ILE 8 HA ILE 8 -3.076 -2.692 2.639
40 HB ILE 8 HB ILE 8 -3.204 -4.347 0.116
41 HG13 ILE 8 2HG1 ILE 8 -5.294 -3.848 1.684
42 HG21 ILE 8 1HG2 ILE 8 -2.597 -6.100 2.062
43 HG22 ILE 8 2HG2 ILE 8 -1.390 -5.304 1.054
44 HG23 ILE 8 3HG2 ILE 8 -1.751 -4.672 2.661
45 HD11 ILE 8 1HD1 ILE 8 -6.224 -5.416 0.442
46 HD12 ILE 8 2HD1 ILE 8 -4.621 -5.967 -0.047
47 HD13 ILE 8 3HD1 ILE 8 -5.402 -6.669 1.370
48 H CYS 9 H CYS 9 -1.132 -1.867 3.007
49 HA CYS 9 HA CYS 9 0.807 -1.807 0.790
50 HB3 CYS 9 2HB CYS 9 1.547 0.324 1.340
51 HA E9V 10 HA NHI 10 3.392 -3.347 4.006
52 HB2 E9V 10 2HB NHI 10 4.017 -4.262 1.628
53 HB3 E9V 10 3HB NHI 10 5.466 -3.286 1.845
54 HD1 E9V 10 1HD NHI 10 3.578 -5.903 3.874
55 HD2 E9V 10 2HD NHI 10 7.456 -4.690 3.002
56 HE1 E9V 10 1HE NHI 10 5.078 -7.536 5.062
57 3HN E9V 10 3HN NHI 10 4.039 -2.007 0.677
58 H1 E9V 10 H NHI 10 3.543 -0.464 1.412
59 2HN E9V 10 2HN NHI 10 2.366 -1.430 0.489
60 H DPN 11 H DPH 11 3.488 -0.322 3.418
61 HA DPN 11 HA DPH 11 6.172 0.204 4.501
62 HB2 DPN 11 2HB DPH 11 4.153 0.213 6.180
63 HB3 DPN 11 3HB DPH 11 3.824 1.790 5.469
64 HD1 DPN 11 1HD DPH 11 5.340 0.235 8.129
65 HD2 DPN 11 2HD DPH 11 6.100 3.254 5.226
66 HE1 DPN 11 1HE DPH 11 7.008 1.251 9.626
67 HE2 DPN 11 2HE DPH 11 7.768 4.275 6.718
68 HZ DPN 11 HZ DPH 11 8.224 3.274 8.923
69 HA MMO 12 HA NAR 12 5.351 3.292 1.378
70 HCB1 MMO 12 2HB NAR 12 8.304 2.679 1.200
71 HCB2 MMO 12 3HB NAR 12 7.506 4.194 0.798
72 HCG1 MMO 12 2HG NAR 12 6.756 4.107 3.308
73 HCG2 MMO 12 3HG NAR 12 8.153 3.038 3.461
74 HCD1 MMO 12 2HD NAR 12 8.791 5.327 3.942
75 HCD2 MMO 12 3HD NAR 12 9.573 4.773 2.463
76 HH21 MMO 12 1HH2 NAR 12 7.191 8.207 1.000
77 HH22 MMO 12 2HH2 NAR 12 8.371 9.317 1.610
78 HH11 MMO 12 1HH1 NAR 12 10.064 6.921 3.515
79 HC1 MMO 12 2HN NAR 12 7.358 0.331 1.232
80 HC2 MMO 12 3HN NAR 12 6.023 -0.525 2.039
81 HC3 MMO 12 H NAR 12 7.374 0.125 2.999
82 HE MMO 12 HE NAR 12 7.278 6.017 1.633
83 HH12 MMO 12 2HH1 NAR 12 10.006 8.586 3.039
84 H TRP 13 H TRP 13 4.136 2.294 -0.217
85 HA TRP 13 HA TRP 13 5.537 1.739 -2.660
86 HB3 TRP 13 2HB TRP 13 4.127 -0.524 -2.785
87 HD1 TRP 13 HD TRP 13 6.559 -1.450 -0.164
88 HE1 TRP 13 1HE TRP 13 8.792 -2.172 -1.218
89 HE3 TRP 13 3HE TRP 13 5.776 0.204 -4.937
90 HZ2 TRP 13 2HZ TRP 13 10.057 -2.055 -3.739
91 HZ3 TRP 13 3HZ TRP 13 7.548 -0.141 -6.610
92 HH2 TRP 13 HH TRP 13 9.643 -1.245 -6.021
93 H ARG 14 H ARG 14 4.257 2.019 -4.452
94 HA ARG 14 HA ARG 14 1.926 3.538 -4.197
95 HB3 ARG 14 2HB ARG 14 3.236 3.672 -6.206
96 HG3 ARG 14 2HG ARG 14 2.371 0.943 -7.068
97 HD3 ARG 14 2HD ARG 14 4.516 1.232 -8.410
98 HE ARG 14 HE ARG 14 2.009 2.527 -8.940
99 HH11 ARG 14 1HH2 ARG 14 1.439 2.865 -11.122
100 HH12 ARG 14 2HH2 ARG 14 2.650 2.728 -12.351
101 HH21 ARG 14 1HH1 ARG 14 5.233 1.955 -10.125
102 HH22 ARG 14 2HH1 ARG 14 4.809 2.209 -11.785
Start of MODEL 9
1 H1 CYS 1 H CYS 1 0.050 2.724 -3.536
2 HA CYS 1 HA CYS 1 0.250 0.101 -2.423
3 HB3 CYS 1 2HB CYS 1 -1.970 0.855 -1.301
4 H THR 2 H THR 2 -2.048 -1.035 -2.082
5 HA THR 2 HA THR 2 -2.852 -1.842 -4.752
6 HB THR 2 HB THR 2 -4.152 -3.609 -3.583
7 HG1 THR 2 1HG THR 2 -4.440 -3.501 -1.485
8 HG21 THR 2 1HG2 THR 2 -2.217 -4.859 -2.737
9 HG22 THR 2 2HG2 THR 2 -1.268 -3.371 -2.712
10 HG23 THR 2 3HG2 THR 2 -1.837 -4.030 -4.246
11 H ALA 3 H ALA 3 -5.061 -1.984 -5.421
12 HA ALA 3 HA ALA 3 -6.613 0.308 -4.585
13 HB1 ALA 3 1HB ALA 3 -7.744 0.108 -6.555
14 HB2 ALA 3 2HB ALA 3 -6.256 -0.732 -6.993
15 HB3 ALA 3 3HB ALA 3 -7.688 -1.654 -6.538
16 H SER 4 H SER 4 -6.530 -1.196 -2.413
17 HA SER 4 HA SER 4 -9.036 -2.736 -2.351
18 HB3 SER 4 2HB SER 4 -7.521 -4.215 -1.474
19 HG SER 4 HG SER 4 -5.950 -2.748 0.128
20 H ILE 5 H ILE 5 -10.133 -2.637 -0.122
21 HA ILE 5 HA ILE 5 -9.982 0.034 1.067
22 HB ILE 5 HB ILE 5 -12.569 -1.186 0.098
23 HG13 ILE 5 2HG1 ILE 5 -11.207 -0.288 -1.739
24 HG21 ILE 5 1HG2 ILE 5 -12.756 1.569 0.821
25 HG22 ILE 5 2HG2 ILE 5 -13.622 0.186 1.487
26 HG23 ILE 5 3HG2 ILE 5 -12.064 0.661 2.165
27 HD11 ILE 5 1HD1 ILE 5 -13.250 1.831 -1.272
28 HD12 ILE 5 2HD1 ILE 5 -12.789 1.023 -2.770
29 HD13 ILE 5 3HD1 ILE 5 -13.751 0.167 -1.566
30 HA PRO 6 HA PRO 6 -9.307 0.655 2.703
31 HB3 PRO 6 2HB PRO 6 -8.973 0.727 4.975
32 HG3 PRO 6 2HG PRO 6 -9.044 -1.210 6.259
33 HD3 PRO 6 2HD PRO 6 -11.013 -1.441 5.084
34 HA PRO 7 HA PRO 7 -6.068 -0.753 0.083
35 HB3 PRO 7 2HB PRO 7 -5.512 1.447 -0.271
36 HG3 PRO 7 2HG PRO 7 -5.591 2.999 1.459
37 HD3 PRO 7 2HD PRO 7 -7.674 2.041 1.689
38 H ILE 8 H ILE 8 -4.119 -1.918 -0.012
39 HA ILE 8 HA ILE 8 -3.077 -2.774 2.608
40 HB ILE 8 HB ILE 8 -3.208 -4.353 0.036
41 HG13 ILE 8 2HG1 ILE 8 -5.294 -3.903 1.620
42 HG21 ILE 8 1HG2 ILE 8 -1.776 -4.770 2.589
43 HG22 ILE 8 2HG2 ILE 8 -2.587 -6.174 1.896
44 HG23 ILE 8 3HG2 ILE 8 -1.371 -5.306 0.959
45 HD11 ILE 8 1HD1 ILE 8 -6.259 -5.471 0.399
46 HD12 ILE 8 2HD1 ILE 8 -4.663 -5.910 -0.214
47 HD13 ILE 8 3HD1 ILE 8 -5.326 -6.737 1.195
48 H CYS 9 H CYS 9 -1.155 -1.898 2.986
49 HA CYS 9 HA CYS 9 0.805 -1.831 0.792
50 HB3 CYS 9 2HB CYS 9 1.528 0.314 1.343
51 HA E9V 10 HA NHI 10 3.370 -3.306 4.051
52 HB2 E9V 10 2HB NHI 10 5.321 -3.223 1.749
53 HB3 E9V 10 3HB NHI 10 5.288 -4.364 3.090
54 HD1 E9V 10 1HD NHI 10 5.088 -4.989 -0.071
55 HD2 E9V 10 2HD NHI 10 2.009 -5.076 2.718
56 HE1 E9V 10 1HE NHI 10 3.343 -6.517 -1.042
57 3HN E9V 10 3HN NHI 10 4.038 -2.003 0.714
58 H1 E9V 10 H NHI 10 3.520 -0.455 1.420
59 2HN E9V 10 2HN NHI 10 2.362 -1.445 0.500
60 H DPN 11 H DPH 11 3.440 -0.285 3.423
61 HA DPN 11 HA DPH 11 6.096 0.284 4.549
62 HB2 DPN 11 2HB DPH 11 4.412 0.311 6.355
63 HB3 DPN 11 3HB DPH 11 3.493 1.522 5.467
64 HD1 DPN 11 1HD DPH 11 7.145 1.210 6.131
65 HD2 DPN 11 2HD DPH 11 3.587 3.482 6.672
66 HE1 DPN 11 1HE DPH 11 8.450 2.990 7.218
67 HE2 DPN 11 2HE DPH 11 4.886 5.265 7.761
68 HZ DPN 11 HZ DPH 11 7.322 5.021 8.034
69 HA MMO 12 HA NAR 12 5.311 3.315 1.359
70 HCB1 MMO 12 2HB NAR 12 8.261 2.679 1.511
71 HCB2 MMO 12 3HB NAR 12 7.591 4.061 0.655
72 HCG1 MMO 12 2HG NAR 12 6.931 3.669 3.534
73 HCG2 MMO 12 3HG NAR 12 8.506 4.323 3.079
74 HCD1 MMO 12 2HD NAR 12 7.125 6.197 3.414
75 HCD2 MMO 12 3HD NAR 12 7.236 6.003 1.665
76 HH21 MMO 12 1HH2 NAR 12 2.895 5.495 2.292
77 HH22 MMO 12 2HH2 NAR 12 2.759 7.038 1.517
78 HH11 MMO 12 1HH1 NAR 12 6.201 7.655 1.492
79 HC1 MMO 12 2HN NAR 12 6.011 -0.486 2.098
80 HC2 MMO 12 3HN NAR 12 7.332 0.197 3.074
81 HC3 MMO 12 H NAR 12 7.351 0.375 1.304
82 HE MMO 12 HE NAR 12 4.959 4.701 2.852
83 HH12 MMO 12 2HH1 NAR 12 4.638 8.266 1.062
84 H TRP 13 H TRP 13 4.140 2.272 -0.242
85 HA TRP 13 HA TRP 13 5.605 1.687 -2.645
86 HB3 TRP 13 2HB TRP 13 4.211 -0.582 -2.768
87 HD1 TRP 13 HD TRP 13 6.534 -1.521 -0.078
88 HE1 TRP 13 1HE TRP 13 8.814 -2.225 -1.042
89 HE3 TRP 13 3HE TRP 13 5.965 0.210 -4.854
90 HZ2 TRP 13 2HZ TRP 13 10.190 -2.066 -3.502
91 HZ3 TRP 13 3HZ TRP 13 7.809 -0.104 -6.450
92 HH2 TRP 13 HH TRP 13 9.878 -1.220 -5.786
93 H ARG 14 H ARG 14 4.358 1.895 -4.479
94 HA ARG 14 HA ARG 14 2.041 3.440 -4.331
95 HB3 ARG 14 2HB ARG 14 3.373 3.464 -6.327
96 HG3 ARG 14 2HG ARG 14 2.504 0.685 -7.025
97 HD3 ARG 14 2HD ARG 14 3.389 2.474 -8.684
98 HE ARG 14 HE ARG 14 5.596 2.468 -7.046
99 HH11 ARG 14 1HH2 ARG 14 7.666 3.120 -7.744
100 HH12 ARG 14 2HH2 ARG 14 8.065 3.033 -9.427
101 HH21 ARG 14 1HH1 ARG 14 4.949 1.778 -10.396
102 HH22 ARG 14 2HH1 ARG 14 6.519 2.272 -10.936
Start of MODEL 10
1 H1 CYS 1 H CYS 1 0.361 2.556 -4.007
2 HA CYS 1 HA CYS 1 0.291 0.137 -2.371
3 HB3 CYS 1 2HB CYS 1 -1.884 1.411 -1.547
4 H THR 2 H THR 2 -1.907 -0.903 -2.106
5 HA THR 2 HA THR 2 -2.901 -1.580 -4.748
6 HB THR 2 HB THR 2 -4.111 -3.383 -3.658
7 HG1 THR 2 1HG THR 2 -4.658 -2.271 -1.716
8 HG21 THR 2 1HG2 THR 2 -1.475 -3.322 -3.972
9 HG22 THR 2 2HG2 THR 2 -2.288 -4.694 -3.220
10 HG23 THR 2 3HG2 THR 2 -1.512 -3.471 -2.216
11 H ALA 3 H ALA 3 -5.031 -1.383 -5.431
12 HA ALA 3 HA ALA 3 -6.487 0.821 -4.255
13 HB1 ALA 3 1HB ALA 3 -7.051 -0.873 -6.685
14 HB2 ALA 3 2HB ALA 3 -8.001 0.530 -6.191
15 HB3 ALA 3 3HB ALA 3 -6.311 0.729 -6.656
16 H SER 4 H SER 4 -6.521 -0.975 -2.334
17 HA SER 4 HA SER 4 -9.079 -2.413 -2.540
18 HB3 SER 4 2HB SER 4 -7.562 -4.031 -1.887
19 HG SER 4 HG SER 4 -5.736 -3.631 -0.751
20 H ILE 5 H ILE 5 -10.222 -2.593 -0.337
21 HA ILE 5 HA ILE 5 -10.019 -0.115 1.209
22 HB ILE 5 HB ILE 5 -12.642 -1.130 0.110
23 HG13 ILE 5 2HG1 ILE 5 -11.216 -0.124 -1.640
24 HG21 ILE 5 1HG2 ILE 5 -13.508 1.017 1.007
25 HG22 ILE 5 2HG2 ILE 5 -12.926 -0.086 2.252
26 HG23 ILE 5 3HG2 ILE 5 -11.938 1.290 1.762
27 HD11 ILE 5 1HD1 ILE 5 -12.781 1.249 -2.590
28 HD12 ILE 5 2HD1 ILE 5 -13.767 0.367 -1.422
29 HD13 ILE 5 3HD1 ILE 5 -13.214 2.000 -1.054
30 HA PRO 6 HA PRO 6 -9.399 0.295 2.933
31 HB3 PRO 6 2HB PRO 6 -9.119 0.066 5.201
32 HG3 PRO 6 2HG PRO 6 -9.231 -2.020 6.220
33 HD3 PRO 6 2HD PRO 6 -11.171 -2.081 4.979
34 HA PRO 7 HA PRO 7 -6.111 -0.789 0.221
35 HB3 PRO 7 2HB PRO 7 -5.549 1.437 0.153
36 HG3 PRO 7 2HG PRO 7 -5.665 2.763 2.060
37 HD3 PRO 7 2HD PRO 7 -7.753 1.789 2.126
38 H ILE 8 H ILE 8 -4.015 -1.775 0.042
39 HA ILE 8 HA ILE 8 -3.045 -2.970 2.556
40 HB ILE 8 HB ILE 8 -3.238 -4.302 -0.149
41 HG13 ILE 8 2HG1 ILE 8 -4.822 -5.799 0.912
42 HG21 ILE 8 1HG2 ILE 8 -2.521 -6.311 1.398
43 HG22 ILE 8 2HG2 ILE 8 -1.320 -5.249 0.662
44 HG23 ILE 8 3HG2 ILE 8 -1.786 -5.020 2.347
45 HD11 ILE 8 1HD1 ILE 8 -5.568 -4.606 3.289
46 HD12 ILE 8 2HD1 ILE 8 -4.726 -6.145 3.098
47 HD13 ILE 8 3HD1 ILE 8 -3.808 -4.664 3.368
48 H CYS 9 H CYS 9 -1.170 -1.986 2.973
49 HA CYS 9 HA CYS 9 0.857 -1.944 0.843
50 HB3 CYS 9 2HB CYS 9 1.503 0.257 1.282
51 HA E9V 10 HA NHI 10 3.318 -3.078 4.314
52 HB2 E9V 10 2HB NHI 10 5.355 -3.123 2.085
53 HB3 E9V 10 3HB NHI 10 5.308 -4.145 3.519
54 HD1 E9V 10 1HD NHI 10 2.431 -5.146 3.421
55 HD2 E9V 10 2HD NHI 10 4.891 -4.896 0.083
56 HE1 E9V 10 1HE NHI 10 1.485 -6.784 1.762
57 3HN E9V 10 3HN NHI 10 4.091 -2.026 0.911
58 H1 E9V 10 H NHI 10 3.499 -0.443 1.469
59 2HN E9V 10 2HN NHI 10 2.411 -1.539 0.585
60 H DPN 11 H DPH 11 3.330 -0.117 3.450
61 HA DPN 11 HA DPH 11 5.925 0.624 4.617
62 HB2 DPN 11 2HB DPH 11 4.227 0.749 6.380
63 HB3 DPN 11 3HB DPH 11 3.236 1.792 5.365
64 HD1 DPN 11 1HD DPH 11 6.851 1.757 6.298
65 HD2 DPN 11 2HD DPH 11 3.195 3.934 6.171
66 HE1 DPN 11 1HE DPH 11 7.998 3.730 7.217
67 HE2 DPN 11 2HE DPH 11 4.335 5.910 7.090
68 HZ DPN 11 HZ DPH 11 6.740 5.812 7.613
69 HA MMO 12 HA NAR 12 5.159 3.371 1.177
70 HCB1 MMO 12 2HB NAR 12 8.135 2.861 1.336
71 HCB2 MMO 12 3HB NAR 12 7.363 4.239 0.562
72 HCG1 MMO 12 2HG NAR 12 6.420 4.865 2.784
73 HCG2 MMO 12 3HG NAR 12 7.396 3.579 3.496
74 HCD1 MMO 12 2HD NAR 12 8.687 5.511 3.773
75 HCD2 MMO 12 3HD NAR 12 9.389 4.710 2.369
76 HH21 MMO 12 1HH2 NAR 12 7.865 8.556 0.686
77 HH22 MMO 12 2HH2 NAR 12 6.893 9.313 1.903
78 HH11 MMO 12 1HH1 NAR 12 7.125 6.647 4.155
79 HC1 MMO 12 2HN NAR 12 7.212 0.460 3.192
80 HC2 MMO 12 3HN NAR 12 7.285 0.504 1.415
81 HC3 MMO 12 H NAR 12 5.943 -0.335 2.229
82 HE MMO 12 HE NAR 12 8.718 6.474 1.063
83 HH12 MMO 12 2HH1 NAR 12 6.473 8.228 3.877
84 H TRP 13 H TRP 13 4.079 2.162 -0.373
85 HA TRP 13 HA TRP 13 5.744 1.275 -2.589
86 HB3 TRP 13 2HB TRP 13 4.086 -0.774 -2.731
87 HD1 TRP 13 HD TRP 13 5.928 -1.344 0.501
88 HE1 TRP 13 1HE TRP 13 8.122 -2.607 0.030
89 HE3 TRP 13 3HE TRP 13 5.988 -0.991 -4.599
90 HZ2 TRP 13 2HZ TRP 13 9.672 -3.354 -2.209
91 HZ3 TRP 13 3HZ TRP 13 7.861 -2.007 -5.829
92 HH2 TRP 13 HH TRP 13 9.664 -3.162 -4.658
93 H ARG 14 H ARG 14 4.338 0.719 -4.528
94 HA ARG 14 HA ARG 14 2.545 2.891 -4.978
95 HB3 ARG 14 2HB ARG 14 2.208 1.787 -7.208
96 HG3 ARG 14 2HG ARG 14 4.761 1.754 -7.790
97 HD3 ARG 14 2HD ARG 14 3.495 4.289 -6.764
98 HE ARG 14 HE ARG 14 5.775 3.813 -8.445
99 HH11 ARG 14 1HH2 ARG 14 6.880 5.635 -9.259
100 HH12 ARG 14 2HH2 ARG 14 6.119 7.190 -9.198
101 HH21 ARG 14 1HH1 ARG 14 3.190 6.018 -7.688
102 HH22 ARG 14 2HH1 ARG 14 4.021 7.408 -8.304
Start of MODEL 11
1 H1 CYS 1 H CYS 1 0.470 2.679 -3.546
2 HA CYS 1 HA CYS 1 0.279 0.125 -2.391
3 HB3 CYS 1 2HB CYS 1 -1.923 1.175 -1.427
4 H THR 2 H THR 2 -1.955 -0.958 -2.104
5 HA THR 2 HA THR 2 -2.870 -1.678 -4.763
6 HB THR 2 HB THR 2 -4.176 -3.439 -3.590
7 HG1 THR 2 1HG THR 2 -2.809 -2.740 -1.217
8 HG21 THR 2 1HG2 THR 2 -2.259 -4.773 -2.889
9 HG22 THR 2 2HG2 THR 2 -1.265 -3.320 -2.790
10 HG23 THR 2 3HG2 THR 2 -1.875 -3.867 -4.352
11 H ALA 3 H ALA 3 -5.038 -1.630 -5.442
12 HA ALA 3 HA ALA 3 -6.538 0.612 -4.404
13 HB1 ALA 3 1HB ALA 3 -8.078 0.115 -6.297
14 HB2 ALA 3 2HB ALA 3 -6.405 0.392 -6.785
15 HB3 ALA 3 3HB ALA 3 -7.045 -1.251 -6.719
16 H SER 4 H SER 4 -6.515 -1.047 -2.363
17 HA SER 4 HA SER 4 -9.039 -2.556 -2.446
18 HB3 SER 4 2HB SER 4 -7.552 -4.114 -1.661
19 HG SER 4 HG SER 4 -5.730 -2.721 -1.728
20 H ILE 5 H ILE 5 -10.165 -2.607 -0.229
21 HA ILE 5 HA ILE 5 -10.000 -0.033 1.154
22 HB ILE 5 HB ILE 5 -11.713 0.411 -0.444
23 HG13 ILE 5 2HG1 ILE 5 -12.122 1.036 1.966
24 HG21 ILE 5 1HG2 ILE 5 -12.821 -1.258 -1.397
25 HG22 ILE 5 2HG2 ILE 5 -12.265 -2.380 -0.155
26 HG23 ILE 5 3HG2 ILE 5 -13.746 -1.456 0.091
27 HD11 ILE 5 1HD1 ILE 5 -13.750 2.207 1.025
28 HD12 ILE 5 2HD1 ILE 5 -14.096 0.930 -0.142
29 HD13 ILE 5 3HD1 ILE 5 -14.829 0.882 1.461
30 HA PRO 6 HA PRO 6 -9.338 0.461 2.838
31 HB3 PRO 6 2HB PRO 6 -9.027 0.364 5.112
32 HG3 PRO 6 2HG PRO 6 -9.132 -1.661 6.252
33 HD3 PRO 6 2HD PRO 6 -11.090 -1.785 5.041
34 HA PRO 7 HA PRO 7 -6.085 -0.788 0.156
35 HB3 PRO 7 2HB PRO 7 -5.508 1.428 -0.036
36 HG3 PRO 7 2HG PRO 7 -5.592 2.853 1.799
37 HD3 PRO 7 2HD PRO 7 -7.685 1.899 1.941
38 H ILE 8 H ILE 8 -4.038 -1.844 0.001
39 HA ILE 8 HA ILE 8 -3.055 -2.920 2.563
40 HB ILE 8 HB ILE 8 -3.109 -4.362 -0.089
41 HG13 ILE 8 2HG1 ILE 8 -4.856 -5.755 0.882
42 HG21 ILE 8 1HG2 ILE 8 -2.625 -6.325 1.534
43 HG22 ILE 8 2HG2 ILE 8 -1.306 -5.260 1.051
44 HG23 ILE 8 3HG2 ILE 8 -2.070 -5.057 2.627
45 HD11 ILE 8 1HD1 ILE 8 -5.048 -5.906 3.086
46 HD12 ILE 8 2HD1 ILE 8 -4.132 -4.421 3.343
47 HD13 ILE 8 3HD1 ILE 8 -5.863 -4.344 3.026
48 H CYS 9 H CYS 9 -1.173 -1.947 2.966
49 HA CYS 9 HA CYS 9 0.844 -1.912 0.823
50 HB3 CYS 9 2HB CYS 9 1.508 0.271 1.291
51 HA E9V 10 HA NHI 10 3.331 -3.170 4.233
52 HB2 E9V 10 2HB NHI 10 5.313 -3.185 1.950
53 HB3 E9V 10 3HB NHI 10 5.322 -4.217 3.379
54 HD1 E9V 10 1HD NHI 10 2.313 -5.056 3.287
55 HD2 E9V 10 2HD NHI 10 4.917 -5.117 0.049
56 HE1 E9V 10 1HE NHI 10 1.347 -6.730 1.679
57 3HN E9V 10 3HN NHI 10 4.079 -2.025 0.851
58 H1 E9V 10 H NHI 10 3.509 -0.453 1.465
59 2HN E9V 10 2HN NHI 10 2.401 -1.511 0.561
60 H DPN 11 H DPH 11 3.368 -0.187 3.456
61 HA DPN 11 HA DPH 11 5.991 0.488 4.602
62 HB2 DPN 11 2HB DPH 11 4.273 0.562 6.377
63 HB3 DPN 11 3HB DPH 11 3.350 1.715 5.419
64 HD1 DPN 11 1HD DPH 11 6.895 1.355 6.542
65 HD2 DPN 11 2HD DPH 11 3.486 3.875 6.152
66 HE1 DPN 11 1HE DPH 11 8.149 3.205 7.569
67 HE2 DPN 11 2HE DPH 11 4.736 5.729 7.180
68 HZ DPN 11 HZ DPH 11 7.069 5.395 7.890
69 HA MMO 12 HA NAR 12 5.200 3.350 1.262
70 HCB1 MMO 12 2HB NAR 12 8.167 2.784 1.401
71 HCB2 MMO 12 3HB NAR 12 7.434 4.166 0.598
72 HCG1 MMO 12 2HG NAR 12 6.370 4.514 3.004
73 HCG2 MMO 12 3HG NAR 12 7.819 3.628 3.483
74 HCD1 MMO 12 2HD NAR 12 8.354 5.943 3.557
75 HCD2 MMO 12 3HD NAR 12 9.154 5.269 2.139
76 HH21 MMO 12 1HH2 NAR 12 6.312 8.229 0.378
77 HH22 MMO 12 2HH2 NAR 12 5.117 8.606 1.573
78 HH11 MMO 12 1HH1 NAR 12 6.358 6.351 3.940
79 HC1 MMO 12 2HN NAR 12 7.248 0.349 3.149
80 HC2 MMO 12 3HN NAR 12 7.293 0.449 1.373
81 HC3 MMO 12 H NAR 12 5.953 -0.399 2.182
82 HE MMO 12 HE NAR 12 7.906 6.664 0.837
83 HH12 MMO 12 2HH1 NAR 12 5.142 7.538 3.599
84 H TRP 13 H TRP 13 4.072 2.208 -0.303
85 HA TRP 13 HA TRP 13 5.662 1.404 -2.595
86 HB3 TRP 13 2HB TRP 13 4.075 -0.685 -2.758
87 HD1 TRP 13 HD TRP 13 5.924 -1.367 0.431
88 HE1 TRP 13 1HE TRP 13 8.162 -2.526 -0.092
89 HE3 TRP 13 3HE TRP 13 6.019 -0.700 -4.636
90 HZ2 TRP 13 2HZ TRP 13 9.756 -3.085 -2.353
91 HZ3 TRP 13 3HZ TRP 13 7.936 -1.575 -5.905
92 HH2 TRP 13 HH TRP 13 9.765 -2.742 -4.785
93 H ARG 14 H ARG 14 4.312 1.063 -4.538
94 HA ARG 14 HA ARG 14 2.368 3.127 -4.769
95 HB3 ARG 14 2HB ARG 14 2.054 2.157 -7.087
96 HG3 ARG 14 2HG ARG 14 4.947 2.595 -6.396
97 HD3 ARG 14 2HD ARG 14 3.343 3.219 -8.874
98 HE ARG 14 HE ARG 14 6.196 3.310 -9.055
99 HH11 ARG 14 1HH2 ARG 14 7.181 5.325 -9.469
100 HH12 ARG 14 2HH2 ARG 14 6.273 6.780 -9.235
101 HH21 ARG 14 1HH1 ARG 14 3.363 5.143 -8.198
102 HH22 ARG 14 2HH1 ARG 14 4.102 6.678 -8.510
Start of MODEL 12
1 H1 CYS 1 H CYS 1 0.060 2.465 -4.159
2 HA CYS 1 HA CYS 1 0.270 0.119 -2.386
3 HB3 CYS 1 2HB CYS 1 -1.932 1.168 -1.423
4 H THR 2 H THR 2 -1.961 -0.967 -2.109
5 HA THR 2 HA THR 2 -2.871 -1.677 -4.773
6 HB THR 2 HB THR 2 -4.179 -3.443 -3.605
7 HG1 THR 2 1HG THR 2 -2.807 -2.727 -1.236
8 HG21 THR 2 1HG2 THR 2 -2.375 -4.835 -3.405
9 HG22 THR 2 2HG2 THR 2 -1.439 -3.666 -2.474
10 HG23 THR 2 3HG2 THR 2 -1.594 -3.480 -4.221
11 H ALA 3 H ALA 3 -5.046 -1.645 -5.446
12 HA ALA 3 HA ALA 3 -6.545 0.599 -4.413
13 HB1 ALA 3 1HB ALA 3 -8.018 0.241 -6.311
14 HB2 ALA 3 2HB ALA 3 -6.332 0.235 -6.830
15 HB3 ALA 3 3HB ALA 3 -7.211 -1.286 -6.671
16 H SER 4 H SER 4 -6.514 -1.052 -2.366
17 HA SER 4 HA SER 4 -9.037 -2.562 -2.435
18 HB3 SER 4 2HB SER 4 -7.546 -4.117 -1.649
19 HG SER 4 HG SER 4 -5.586 -3.461 -1.332
20 H ILE 5 H ILE 5 -10.156 -2.607 -0.216
21 HA ILE 5 HA ILE 5 -9.989 -0.027 1.157
22 HB ILE 5 HB ILE 5 -11.708 0.408 -0.437
23 HG13 ILE 5 2HG1 ILE 5 -12.074 0.774 2.164
24 HG21 ILE 5 1HG2 ILE 5 -12.821 -1.265 -1.379
25 HG22 ILE 5 2HG2 ILE 5 -12.253 -2.382 -0.140
26 HG23 ILE 5 3HG2 ILE 5 -13.735 -1.465 0.116
27 HD11 ILE 5 1HD1 ILE 5 -13.156 2.432 1.125
28 HD12 ILE 5 2HD1 ILE 5 -13.793 1.371 -0.131
29 HD13 ILE 5 3HD1 ILE 5 -14.585 1.451 1.444
30 HA PRO 6 HA PRO 6 -9.322 0.475 2.836
31 HB3 PRO 6 2HB PRO 6 -9.004 0.388 5.110
32 HG3 PRO 6 2HG PRO 6 -9.101 -1.632 6.259
33 HD3 PRO 6 2HD PRO 6 -11.062 -1.765 5.056
34 HA PRO 7 HA PRO 7 -6.077 -0.780 0.146
35 HB3 PRO 7 2HB PRO 7 -5.503 1.435 -0.055
36 HG3 PRO 7 2HG PRO 7 -5.581 2.867 1.775
37 HD3 PRO 7 2HD PRO 7 -7.674 1.913 1.927
38 H ILE 8 H ILE 8 -4.058 -1.867 -0.012
39 HA ILE 8 HA ILE 8 -3.058 -2.926 2.551
40 HB ILE 8 HB ILE 8 -3.094 -4.369 -0.102
41 HG13 ILE 8 2HG1 ILE 8 -5.356 -4.016 0.929
42 HG21 ILE 8 1HG2 ILE 8 -1.503 -5.599 0.863
43 HG22 ILE 8 2HG2 ILE 8 -1.769 -4.852 2.437
44 HG23 ILE 8 3HG2 ILE 8 -2.771 -6.210 1.927
45 HD11 ILE 8 1HD1 ILE 8 -6.152 -6.146 0.569
46 HD12 ILE 8 2HD1 ILE 8 -4.654 -6.142 -0.360
47 HD13 ILE 8 3HD1 ILE 8 -4.706 -6.911 1.226
48 H CYS 9 H CYS 9 -1.175 -1.960 2.958
49 HA CYS 9 HA CYS 9 0.840 -1.915 0.817
50 HB3 CYS 9 2HB CYS 9 1.502 0.268 1.290
51 HA E9V 10 HA NHI 10 3.328 -3.179 4.224
52 HB2 E9V 10 2HB NHI 10 4.153 -4.048 1.789
53 HB3 E9V 10 3HB NHI 10 5.609 -3.231 2.348
54 HD1 E9V 10 1HD NHI 10 6.485 -4.084 4.784
55 HD2 E9V 10 2HD NHI 10 3.848 -6.568 2.752
56 HE1 E9V 10 1HE NHI 10 6.727 -6.345 5.859
57 3HN E9V 10 3HN NHI 10 4.076 -2.025 0.847
58 H1 E9V 10 H NHI 10 3.506 -0.456 1.465
59 2HN E9V 10 2HN NHI 10 2.398 -1.511 0.556
60 H DPN 11 H DPH 11 3.363 -0.194 3.456
61 HA DPN 11 HA DPH 11 5.984 0.479 4.605
62 HB2 DPN 11 2HB DPH 11 3.906 0.520 6.208
63 HB3 DPN 11 3HB DPH 11 3.552 2.040 5.391
64 HD1 DPN 11 1HD DPH 11 4.922 0.782 8.235
65 HD2 DPN 11 2HD DPH 11 5.882 3.489 5.093
66 HE1 DPN 11 1HE DPH 11 6.498 1.945 9.724
67 HE2 DPN 11 2HE DPH 11 7.460 4.656 6.577
68 HZ DPN 11 HZ DPH 11 7.770 3.885 8.896
69 HA MMO 12 HA NAR 12 5.187 3.351 1.274
70 HCB1 MMO 12 2HB NAR 12 8.162 2.809 1.323
71 HCB2 MMO 12 3HB NAR 12 7.374 4.237 0.667
72 HCG1 MMO 12 2HG NAR 12 6.423 4.410 3.122
73 HCG2 MMO 12 3HG NAR 12 7.868 3.466 3.489
74 HCD1 MMO 12 2HD NAR 12 9.136 5.217 2.128
75 HCD2 MMO 12 3HD NAR 12 7.674 6.194 2.249
76 HH21 MMO 12 1HH2 NAR 12 9.471 6.560 6.319
77 HH22 MMO 12 2HH2 NAR 12 10.760 5.409 6.431
78 HH11 MMO 12 1HH1 NAR 12 10.149 3.990 3.294
79 HC1 MMO 12 2HN NAR 12 5.950 -0.398 2.187
80 HC2 MMO 12 3HN NAR 12 7.242 0.353 3.153
81 HC3 MMO 12 H NAR 12 7.286 0.454 1.376
82 HE MMO 12 HE NAR 12 8.164 6.605 4.451
83 HH12 MMO 12 2HH1 NAR 12 11.147 3.948 4.708
84 H TRP 13 H TRP 13 4.067 2.214 -0.298
85 HA TRP 13 HA TRP 13 5.662 1.423 -2.592
86 HB3 TRP 13 2HB TRP 13 4.068 -0.671 -2.753
87 HD1 TRP 13 HD TRP 13 6.014 -1.304 0.405
88 HE1 TRP 13 1HE TRP 13 8.231 -2.477 -0.170
89 HE3 TRP 13 3HE TRP 13 5.930 -0.753 -4.677
90 HZ2 TRP 13 2HZ TRP 13 9.744 -3.087 -2.473
91 HZ3 TRP 13 3HZ TRP 13 7.801 -1.659 -5.992
92 HH2 TRP 13 HH TRP 13 9.669 -2.801 -4.911
93 H ARG 14 H ARG 14 4.309 1.073 -4.534
94 HA ARG 14 HA ARG 14 2.357 3.131 -4.762
95 HB3 ARG 14 2HB ARG 14 2.041 2.152 -7.080
96 HG3 ARG 14 2HG ARG 14 4.849 2.799 -6.213
97 HD3 ARG 14 2HD ARG 14 4.765 1.609 -8.387
98 HE ARG 14 HE ARG 14 2.638 3.418 -8.979
99 HH11 ARG 14 1HH2 ARG 14 1.695 3.333 -11.055
100 HH12 ARG 14 2HH2 ARG 14 2.536 2.536 -12.340
101 HH21 ARG 14 1HH1 ARG 14 5.289 1.646 -10.376
102 HH22 ARG 14 2HH1 ARG 14 4.581 1.575 -11.956
Start of MODEL 13
1 H1 CYS 1 H CYS 1 0.122 2.606 -3.952
2 HA CYS 1 HA CYS 1 0.267 0.124 -2.402
3 HB3 CYS 1 2HB CYS 1 -1.942 1.155 -1.436
4 H THR 2 H THR 2 -1.963 -0.971 -2.133
5 HA THR 2 HA THR 2 -2.865 -1.674 -4.801
6 HB THR 2 HB THR 2 -4.152 -3.460 -3.660
7 HG1 THR 2 1HG THR 2 -2.848 -2.775 -1.253
8 HG21 THR 2 1HG2 THR 2 -2.119 -4.648 -2.680
9 HG22 THR 2 2HG2 THR 2 -1.216 -3.181 -3.062
10 HG23 THR 2 3HG2 THR 2 -1.989 -4.103 -4.352
11 H ALA 3 H ALA 3 -5.054 -1.675 -5.459
12 HA ALA 3 HA ALA 3 -6.556 0.575 -4.442
13 HB1 ALA 3 1HB ALA 3 -7.175 -1.336 -6.691
14 HB2 ALA 3 2HB ALA 3 -8.066 0.140 -6.321
15 HB3 ALA 3 3HB ALA 3 -6.385 0.234 -6.844
16 H SER 4 H SER 4 -6.501 -1.058 -2.378
17 HA SER 4 HA SER 4 -9.020 -2.576 -2.412
18 HB3 SER 4 2HB SER 4 -7.518 -4.120 -1.625
19 HG SER 4 HG SER 4 -5.937 -2.763 0.064
20 H ILE 5 H ILE 5 -10.121 -2.605 -0.184
21 HA ILE 5 HA ILE 5 -9.950 -0.013 1.167
22 HB ILE 5 HB ILE 5 -11.678 0.409 -0.421
23 HG13 ILE 5 2HG1 ILE 5 -12.032 0.902 2.110
24 HG21 ILE 5 1HG2 ILE 5 -12.800 -1.269 -1.342
25 HG22 ILE 5 2HG2 ILE 5 -12.218 -2.378 -0.101
26 HG23 ILE 5 3HG2 ILE 5 -13.701 -1.461 0.161
27 HD11 ILE 5 1HD1 ILE 5 -14.569 1.414 1.603
28 HD12 ILE 5 2HD1 ILE 5 -13.264 2.353 0.875
29 HD13 ILE 5 3HD1 ILE 5 -14.053 1.074 -0.048
30 HA PRO 6 HA PRO 6 -9.275 0.503 2.838
31 HB3 PRO 6 2HB PRO 6 -8.944 0.434 5.110
32 HG3 PRO 6 2HG PRO 6 -9.032 -1.576 6.275
33 HD3 PRO 6 2HD PRO 6 -11.001 -1.721 5.084
34 HA PRO 7 HA PRO 7 -6.044 -0.768 0.141
35 HB3 PRO 7 2HB PRO 7 -5.474 1.446 -0.084
36 HG3 PRO 7 2HG PRO 7 -5.546 2.893 1.736
37 HD3 PRO 7 2HD PRO 7 -7.636 1.936 1.907
38 H ILE 8 H ILE 8 -4.111 -1.945 -0.023
39 HA ILE 8 HA ILE 8 -3.074 -2.959 2.544
40 HB ILE 8 HB ILE 8 -3.206 -4.381 -0.118
41 HG13 ILE 8 2HG1 ILE 8 -5.296 -4.014 1.486
42 HG21 ILE 8 1HG2 ILE 8 -1.457 -5.518 0.690
43 HG22 ILE 8 2HG2 ILE 8 -1.679 -4.884 2.320
44 HG23 ILE 8 3HG2 ILE 8 -2.628 -6.267 1.775
45 HD11 ILE 8 1HD1 ILE 8 -5.093 -6.853 0.765
46 HD12 ILE 8 2HD1 ILE 8 -6.339 -5.664 0.383
47 HD13 ILE 8 3HD1 ILE 8 -4.845 -5.708 -0.552
48 H CYS 9 H CYS 9 -1.203 -1.961 2.949
49 HA CYS 9 HA CYS 9 0.820 -1.925 0.812
50 HB3 CYS 9 2HB CYS 9 1.481 0.258 1.293
51 HA E9V 10 HA NHI 10 3.305 -3.193 4.219
52 HB2 E9V 10 2HB NHI 10 5.317 -3.186 1.967
53 HB3 E9V 10 3HB NHI 10 5.276 -4.253 3.368
54 HD1 E9V 10 1HD NHI 10 3.390 -6.102 3.376
55 HD2 E9V 10 2HD NHI 10 3.807 -4.007 -0.187
56 HE1 E9V 10 1HE NHI 10 2.154 -7.454 1.652
57 3HN E9V 10 3HN NHI 10 4.057 -2.030 0.847
58 H1 E9V 10 H NHI 10 3.484 -0.464 1.466
59 2HN E9V 10 2HN NHI 10 2.377 -1.518 0.554
60 H DPN 11 H DPH 11 3.335 -0.207 3.458
61 HA DPN 11 HA DPH 11 5.952 0.470 4.616
62 HB2 DPN 11 2HB DPH 11 4.208 0.525 6.377
63 HB3 DPN 11 3HB DPH 11 3.315 1.708 5.428
64 HD1 DPN 11 1HD DPH 11 6.913 1.354 6.350
65 HD2 DPN 11 2HD DPH 11 3.407 3.765 6.433
66 HE1 DPN 11 1HE DPH 11 8.189 3.166 7.421
67 HE2 DPN 11 2HE DPH 11 4.676 5.579 7.504
68 HZ DPN 11 HZ DPH 11 7.070 5.283 7.999
69 HA MMO 12 HA NAR 12 5.163 3.347 1.290
70 HCB1 MMO 12 2HB NAR 12 8.133 2.790 1.421
71 HCB2 MMO 12 3HB NAR 12 7.391 4.182 0.642
72 HCG1 MMO 12 2HG NAR 12 6.549 4.965 2.774
73 HCG2 MMO 12 3HG NAR 12 7.202 3.536 3.577
74 HCD1 MMO 12 2HD NAR 12 8.969 5.372 2.000
75 HCD2 MMO 12 3HD NAR 12 8.544 5.736 3.671
76 HH21 MMO 12 1HH2 NAR 12 11.609 2.574 4.162
77 HH22 MMO 12 2HH2 NAR 12 12.888 3.642 3.693
78 HH11 MMO 12 1HH1 NAR 12 10.752 6.118 2.453
79 HC1 MMO 12 2HN NAR 12 7.215 0.344 3.166
80 HC2 MMO 12 3HN NAR 12 7.264 0.453 1.389
81 HC3 MMO 12 H NAR 12 5.926 -0.402 2.192
82 HE MMO 12 HE NAR 12 9.442 3.189 3.803
83 HH12 MMO 12 2HH1 NAR 12 12.401 5.660 2.721
84 H TRP 13 H TRP 13 4.043 2.214 -0.286
85 HA TRP 13 HA TRP 13 5.643 1.424 -2.577
86 HB3 TRP 13 2HB TRP 13 4.052 -0.665 -2.754
87 HD1 TRP 13 HD TRP 13 5.916 -1.365 0.424
88 HE1 TRP 13 1HE TRP 13 8.151 -2.520 -0.116
89 HE3 TRP 13 3HE TRP 13 5.987 -0.666 -4.639
90 HZ2 TRP 13 2HZ TRP 13 9.737 -3.062 -2.389
91 HZ3 TRP 13 3HZ TRP 13 7.899 -1.533 -5.922
92 HH2 TRP 13 HH TRP 13 9.735 -2.706 -4.819
93 H ARG 14 H ARG 14 4.300 1.093 -4.527
94 HA ARG 14 HA ARG 14 2.351 3.153 -4.750
95 HB3 ARG 14 2HB ARG 14 2.210 2.553 -7.061
96 HG3 ARG 14 2HG ARG 14 5.013 2.014 -6.103
97 HD3 ARG 14 2HD ARG 14 3.963 2.728 -8.838
98 HE ARG 14 HE ARG 14 6.504 3.282 -7.780
99 HH11 ARG 14 1HH2 ARG 14 8.239 3.798 -9.168
100 HH12 ARG 14 2HH2 ARG 14 8.164 3.336 -10.835
101 HH21 ARG 14 1HH1 ARG 14 5.017 1.832 -10.575
102 HH22 ARG 14 2HH1 ARG 14 6.331 2.219 -11.635
Start of MODEL 14
1 H1 CYS 1 H CYS 1 0.183 2.568 -4.018
2 HA CYS 1 HA CYS 1 0.265 0.126 -2.394
3 HB3 CYS 1 2HB CYS 1 -1.936 1.244 -1.481
4 H THR 2 H THR 2 -1.946 -0.958 -2.141
5 HA THR 2 HA THR 2 -2.878 -1.631 -4.807
6 HB THR 2 HB THR 2 -4.127 -3.441 -3.707
7 HG1 THR 2 1HG THR 2 -4.547 -3.290 -1.645
8 HG21 THR 2 1HG2 THR 2 -1.264 -3.218 -2.768
9 HG22 THR 2 2HG2 THR 2 -1.800 -3.837 -4.329
10 HG23 THR 2 3HG2 THR 2 -2.205 -4.706 -2.849
11 H ALA 3 H ALA 3 -5.058 -1.585 -5.463
12 HA ALA 3 HA ALA 3 -6.544 0.648 -4.390
13 HB1 ALA 3 1HB ALA 3 -7.444 -1.182 -6.596
14 HB2 ALA 3 2HB ALA 3 -7.900 0.498 -6.308
15 HB3 ALA 3 3HB ALA 3 -6.270 0.110 -6.856
16 H SER 4 H SER 4 -6.501 -1.029 -2.364
17 HA SER 4 HA SER 4 -9.027 -2.534 -2.433
18 HB3 SER 4 2HB SER 4 -7.502 -4.090 -1.694
19 HG SER 4 HG SER 4 -5.992 -2.752 0.088
20 H ILE 5 H ILE 5 -10.128 -2.606 -0.204
21 HA ILE 5 HA ILE 5 -9.950 -0.040 1.194
22 HB ILE 5 HB ILE 5 -11.685 0.409 -0.377
23 HG13 ILE 5 2HG1 ILE 5 -12.026 0.773 2.216
24 HG21 ILE 5 1HG2 ILE 5 -12.219 -2.386 -0.107
25 HG22 ILE 5 2HG2 ILE 5 -13.702 -1.476 0.180
26 HG23 ILE 5 3HG2 ILE 5 -12.809 -1.254 -1.324
27 HD11 ILE 5 1HD1 ILE 5 -13.387 2.362 1.518
28 HD12 ILE 5 2HD1 ILE 5 -13.515 1.562 -0.050
29 HD13 ILE 5 3HD1 ILE 5 -14.656 1.171 1.237
30 HA PRO 6 HA PRO 6 -9.278 0.454 2.875
31 HB3 PRO 6 2HB PRO 6 -8.945 0.349 5.145
32 HG3 PRO 6 2HG PRO 6 -9.020 -1.682 6.276
33 HD3 PRO 6 2HD PRO 6 -10.989 -1.816 5.086
34 HA PRO 7 HA PRO 7 -6.045 -0.754 0.153
35 HB3 PRO 7 2HB PRO 7 -5.485 1.467 -0.032
36 HG3 PRO 7 2HG PRO 7 -5.561 2.881 1.812
37 HD3 PRO 7 2HD PRO 7 -7.647 1.912 1.969
38 H ILE 8 H ILE 8 -4.130 -1.944 -0.032
39 HA ILE 8 HA ILE 8 -3.079 -2.991 2.514
40 HB ILE 8 HB ILE 8 -3.212 -4.365 -0.172
41 HG13 ILE 8 2HG1 ILE 8 -5.294 -4.032 1.457
42 HG21 ILE 8 1HG2 ILE 8 -2.634 -6.241 1.786
43 HG22 ILE 8 2HG2 ILE 8 -1.520 -5.599 0.581
44 HG23 ILE 8 3HG2 ILE 8 -1.604 -4.865 2.181
45 HD11 ILE 8 1HD1 ILE 8 -6.357 -5.722 0.390
46 HD12 ILE 8 2HD1 ILE 8 -4.941 -5.591 -0.652
47 HD13 ILE 8 3HD1 ILE 8 -5.010 -6.844 0.584
48 H CYS 9 H CYS 9 -1.209 -2.001 2.937
49 HA CYS 9 HA CYS 9 0.823 -1.944 0.810
50 HB3 CYS 9 2HB CYS 9 1.469 0.245 1.286
51 HA E9V 10 HA NHI 10 3.288 -3.168 4.246
52 HB2 E9V 10 2HB NHI 10 5.315 -3.167 2.008
53 HB3 E9V 10 3HB NHI 10 5.277 -4.219 3.420
54 HD1 E9V 10 1HD NHI 10 3.417 -6.090 3.434
55 HD2 E9V 10 2HD NHI 10 3.814 -4.017 -0.144
56 HE1 E9V 10 1HE NHI 10 2.201 -7.469 1.719
57 3HN E9V 10 3HN NHI 10 4.058 -2.031 0.869
58 H1 E9V 10 H NHI 10 3.470 -0.462 1.468
59 2HN E9V 10 2HN NHI 10 2.378 -1.532 0.559
60 H DPN 11 H DPH 11 3.307 -0.186 3.454
61 HA DPN 11 HA DPH 11 5.910 0.518 4.629
62 HB2 DPN 11 2HB DPH 11 3.813 0.556 6.208
63 HB3 DPN 11 3HB DPH 11 3.456 2.064 5.375
64 HD1 DPN 11 1HD DPH 11 4.785 0.851 8.250
65 HD2 DPN 11 2HD DPH 11 5.797 3.516 5.088
66 HE1 DPN 11 1HE DPH 11 6.334 2.038 9.750
67 HE2 DPN 11 2HE DPH 11 7.347 4.706 6.582
68 HZ DPN 11 HZ DPH 11 7.617 3.968 8.917
69 HA MMO 12 HA NAR 12 5.135 3.358 1.270
70 HCB1 MMO 12 2HB NAR 12 8.088 2.816 1.594
71 HCB2 MMO 12 3HB NAR 12 7.446 4.088 0.564
72 HCG1 MMO 12 2HG NAR 12 6.346 5.081 2.543
73 HCG2 MMO 12 3HG NAR 12 7.115 3.849 3.546
74 HCD1 MMO 12 2HD NAR 12 8.418 5.865 3.652
75 HCD2 MMO 12 3HD NAR 12 9.323 4.649 2.749
76 HH21 MMO 12 1HH2 NAR 12 8.882 7.841 -0.277
77 HH22 MMO 12 2HH2 NAR 12 10.423 8.442 0.232
78 HH11 MMO 12 1HH1 NAR 12 10.600 6.410 3.072
79 HC1 MMO 12 2HN NAR 12 7.193 0.391 3.195
80 HC2 MMO 12 3HN NAR 12 7.255 0.479 1.419
81 HC3 MMO 12 H NAR 12 5.917 -0.378 2.222
82 HE MMO 12 HE NAR 12 7.836 6.238 0.962
83 HH12 MMO 12 2HH1 NAR 12 11.402 7.628 2.137
84 H TRP 13 H TRP 13 4.039 2.201 -0.307
85 HA TRP 13 HA TRP 13 5.674 1.387 -2.568
86 HB3 TRP 13 2HB TRP 13 4.053 -0.690 -2.738
87 HD1 TRP 13 HD TRP 13 5.945 -1.346 0.441
88 HE1 TRP 13 1HE TRP 13 8.161 -2.539 -0.101
89 HE3 TRP 13 3HE TRP 13 5.953 -0.771 -4.638
90 HZ2 TRP 13 2HZ TRP 13 9.708 -3.154 -2.381
91 HZ3 TRP 13 3HZ TRP 13 7.838 -1.691 -5.926
92 HH2 TRP 13 HH TRP 13 9.676 -2.855 -4.819
93 H ARG 14 H ARG 14 4.313 0.964 -4.521
94 HA ARG 14 HA ARG 14 2.417 3.068 -4.830
95 HB3 ARG 14 2HB ARG 14 2.169 2.213 -7.126
96 HG3 ARG 14 2HG ARG 14 4.696 2.070 -7.706
97 HD3 ARG 14 2HD ARG 14 3.030 4.086 -7.714
98 HE ARG 14 HE ARG 14 3.082 5.136 -5.677
99 HH11 ARG 14 1HH2 ARG 14 4.043 6.336 -3.993
100 HH12 ARG 14 2HH2 ARG 14 5.769 6.399 -3.869
101 HH21 ARG 14 1HH1 ARG 14 6.333 4.377 -6.665
102 HH22 ARG 14 2HH1 ARG 14 7.071 5.286 -5.390
Start of MODEL 15
1 H1 CYS 1 H CYS 1 0.542 2.631 -3.679
2 HA CYS 1 HA CYS 1 0.253 0.127 -2.362
3 HB3 CYS 1 2HB CYS 1 -1.931 1.363 -1.532
4 H THR 2 H THR 2 -1.933 -0.940 -2.141
5 HA THR 2 HA THR 2 -2.894 -1.580 -4.803
6 HB THR 2 HB THR 2 -4.109 -3.410 -3.747
7 HG1 THR 2 1HG THR 2 -4.714 -2.496 -1.790
8 HG21 THR 2 1HG2 THR 2 -1.289 -3.137 -2.698
9 HG22 THR 2 2HG2 THR 2 -1.762 -3.792 -4.265
10 HG23 THR 2 3HG2 THR 2 -2.204 -4.641 -2.785
11 H ALA 3 H ALA 3 -5.061 -1.471 -5.461
12 HA ALA 3 HA ALA 3 -6.527 0.744 -4.323
13 HB1 ALA 3 1HB ALA 3 -7.222 -1.031 -6.659
14 HB2 ALA 3 2HB ALA 3 -8.016 0.484 -6.228
15 HB3 ALA 3 3HB ALA 3 -6.332 0.489 -6.752
16 H SER 4 H SER 4 -6.507 -0.996 -2.350
17 HA SER 4 HA SER 4 -9.050 -2.472 -2.474
18 HB3 SER 4 2HB SER 4 -7.489 -4.047 -1.807
19 HG SER 4 HG SER 4 -6.109 -2.743 0.126
20 H ILE 5 H ILE 5 -10.158 -2.602 -0.251
21 HA ILE 5 HA ILE 5 -9.959 -0.079 1.223
22 HB ILE 5 HB ILE 5 -11.697 0.417 -0.334
23 HG13 ILE 5 2HG1 ILE 5 -12.028 0.778 2.233
24 HG21 ILE 5 1HG2 ILE 5 -12.835 -1.212 -1.318
25 HG22 ILE 5 2HG2 ILE 5 -12.242 -2.378 -0.135
26 HG23 ILE 5 3HG2 ILE 5 -13.721 -1.472 0.185
27 HD11 ILE 5 1HD1 ILE 5 -13.371 1.764 0.132
28 HD12 ILE 5 2HD1 ILE 5 -14.676 0.917 0.964
29 HD13 ILE 5 3HD1 ILE 5 -13.749 2.155 1.810
30 HA PRO 6 HA PRO 6 -9.304 0.380 2.919
31 HB3 PRO 6 2HB PRO 6 -8.975 0.218 5.188
32 HG3 PRO 6 2HG PRO 6 -9.047 -1.841 6.266
33 HD3 PRO 6 2HD PRO 6 -11.012 -1.952 5.066
34 HA PRO 7 HA PRO 7 -6.056 -0.747 0.177
35 HB3 PRO 7 2HB PRO 7 -5.503 1.480 0.051
36 HG3 PRO 7 2HG PRO 7 -5.589 2.845 1.933
37 HD3 PRO 7 2HD PRO 7 -7.672 1.866 2.057
38 H ILE 8 H ILE 8 -4.119 -1.905 -0.032
39 HA ILE 8 HA ILE 8 -3.073 -3.015 2.490
40 HB ILE 8 HB ILE 8 -3.209 -4.336 -0.223
41 HG13 ILE 8 2HG1 ILE 8 -5.291 -4.038 1.408
42 HG21 ILE 8 1HG2 ILE 8 -2.478 -6.360 1.135
43 HG22 ILE 8 2HG2 ILE 8 -1.252 -5.140 0.796
44 HG23 ILE 8 3HG2 ILE 8 -2.010 -5.211 2.387
45 HD11 ILE 8 1HD1 ILE 8 -4.525 -6.486 -0.128
46 HD12 ILE 8 2HD1 ILE 8 -6.051 -6.392 0.752
47 HD13 ILE 8 3HD1 ILE 8 -5.703 -5.238 -0.535
48 H CYS 9 H CYS 9 -1.204 -2.026 2.926
49 HA CYS 9 HA CYS 9 0.833 -1.954 0.809
50 HB3 CYS 9 2HB CYS 9 1.464 0.246 1.272
51 HA E9V 10 HA NHI 10 3.282 -3.126 4.276
52 HB2 E9V 10 2HB NHI 10 5.314 -3.139 2.038
53 HB3 E9V 10 3HB NHI 10 5.295 -4.162 3.472
54 HD1 E9V 10 1HD NHI 10 4.434 -4.220 0.005
55 HD2 E9V 10 2HD NHI 10 2.839 -5.898 3.453
56 HE1 E9V 10 1HE NHI 10 2.983 -6.117 -0.781
57 3HN E9V 10 3HN NHI 10 4.068 -2.021 0.891
58 H1 E9V 10 H NHI 10 3.468 -0.448 1.470
59 2HN E9V 10 2HN NHI 10 2.387 -1.535 0.564
60 H DPN 11 H DPH 11 3.289 -0.154 3.453
61 HA DPN 11 HA DPH 11 5.879 0.578 4.640
62 HB2 DPN 11 2HB DPH 11 3.947 0.622 6.297
63 HB3 DPN 11 3HB DPH 11 3.290 1.955 5.352
64 HD1 DPN 11 1HD DPH 11 6.401 0.910 7.111
65 HD2 DPN 11 2HD DPH 11 3.889 4.118 5.880
66 HE1 DPN 11 1HE DPH 11 7.803 2.489 8.374
67 HE2 DPN 11 2HE DPH 11 5.286 5.701 7.141
68 HZ DPN 11 HZ DPH 11 7.247 4.887 8.392
69 HA MMO 12 HA NAR 12 5.115 3.370 1.235
70 HCB1 MMO 12 2HB NAR 12 8.093 2.868 1.404
71 HCB2 MMO 12 3HB NAR 12 7.324 4.251 0.637
72 HCG1 MMO 12 2HG NAR 12 6.255 4.456 3.085
73 HCG2 MMO 12 3HG NAR 12 7.788 3.679 3.490
74 HCD1 MMO 12 2HD NAR 12 8.304 5.737 1.600
75 HCD2 MMO 12 3HD NAR 12 7.287 6.406 2.875
76 HH21 MMO 12 1HH2 NAR 12 11.207 5.797 4.926
77 HH22 MMO 12 2HH2 NAR 12 12.195 4.815 3.898
78 HH11 MMO 12 1HH1 NAR 12 9.703 4.308 1.499
79 HC1 MMO 12 2HN NAR 12 5.907 -0.348 2.239
80 HC2 MMO 12 3HN NAR 12 7.168 0.439 3.218
81 HC3 MMO 12 H NAR 12 7.251 0.507 1.442
82 HE MMO 12 HE NAR 12 9.051 6.236 4.323
83 HH12 MMO 12 2HH1 NAR 12 11.341 3.969 1.948
84 H TRP 13 H TRP 13 4.047 2.179 -0.337
85 HA TRP 13 HA TRP 13 5.720 1.340 -2.562
86 HB3 TRP 13 2HB TRP 13 4.099 -0.733 -2.738
87 HD1 TRP 13 HD TRP 13 5.909 -1.342 0.501
88 HE1 TRP 13 1HE TRP 13 8.131 -2.553 0.033
89 HE3 TRP 13 3HE TRP 13 6.042 -0.859 -4.587
90 HZ2 TRP 13 2HZ TRP 13 9.730 -3.215 -2.197
91 HZ3 TRP 13 3HZ TRP 13 7.953 -1.809 -5.813
92 HH2 TRP 13 HH TRP 13 9.758 -2.962 -4.639
93 H ARG 14 H ARG 14 4.320 0.796 -4.509
94 HA ARG 14 HA ARG 14 2.492 2.947 -4.921
95 HB3 ARG 14 2HB ARG 14 2.269 2.078 -7.177
96 HG3 ARG 14 2HG ARG 14 5.123 1.643 -6.332
97 HD3 ARG 14 2HD ARG 14 5.422 2.755 -8.644
98 HE ARG 14 HE ARG 14 5.238 0.064 -7.994
99 HH11 ARG 14 1HH2 ARG 14 5.863 -1.572 -9.454
100 HH12 ARG 14 2HH2 ARG 14 5.892 -1.234 -11.152
101 HH21 ARG 14 1HH1 ARG 14 4.837 2.081 -10.804
102 HH22 ARG 14 2HH1 ARG 14 5.310 0.844 -11.920
Start of MODEL 16
1 H1 CYS 1 H CYS 1 -0.161 2.242 -4.296
2 HA CYS 1 HA CYS 1 0.261 0.061 -2.379
3 HB3 CYS 1 2HB CYS 1 -1.927 0.905 -1.270
4 H THR 2 H THR 2 -2.048 -1.018 -2.014
5 HA THR 2 HA THR 2 -2.890 -1.854 -4.664
6 HB THR 2 HB THR 2 -4.032 -3.667 -3.595
7 HG1 THR 2 1HG THR 2 -4.601 -3.643 -1.511
8 HG21 THR 2 1HG2 THR 2 -2.215 -4.649 -2.193
9 HG22 THR 2 2HG2 THR 2 -1.392 -3.091 -2.250
10 HG23 THR 2 3HG2 THR 2 -1.655 -4.003 -3.735
11 H ALA 3 H ALA 3 -5.053 -1.865 -5.386
12 HA ALA 3 HA ALA 3 -6.578 0.424 -4.492
13 HB1 ALA 3 1HB ALA 3 -7.989 0.003 -6.413
14 HB2 ALA 3 2HB ALA 3 -6.292 -0.063 -6.888
15 HB3 ALA 3 3HB ALA 3 -7.207 -1.556 -6.678
16 H SER 4 H SER 4 -6.562 -1.213 -2.395
17 HA SER 4 HA SER 4 -9.119 -2.666 -2.458
18 HB3 SER 4 2HB SER 4 -7.410 -4.153 -1.759
19 HG SER 4 HG SER 4 -6.504 -2.632 0.368
20 H ILE 5 H ILE 5 -10.236 -2.666 -0.232
21 HA ILE 5 HA ILE 5 -10.029 -0.055 1.084
22 HB ILE 5 HB ILE 5 -12.625 -1.222 0.071
23 HG13 ILE 5 2HG1 ILE 5 -10.782 0.889 -0.927
24 HG21 ILE 5 1HG2 ILE 5 -11.978 0.917 2.008
25 HG22 ILE 5 2HG2 ILE 5 -13.272 1.251 0.859
26 HG23 ILE 5 3HG2 ILE 5 -13.377 -0.152 1.922
27 HD11 ILE 5 1HD1 ILE 5 -12.775 -0.219 -2.733
28 HD12 ILE 5 2HD1 ILE 5 -11.020 -0.117 -2.895
29 HD13 ILE 5 3HD1 ILE 5 -11.747 -1.441 -1.984
30 HA PRO 6 HA PRO 6 -9.410 0.550 2.749
31 HB3 PRO 6 2HB PRO 6 -9.089 0.555 5.025
32 HG3 PRO 6 2HG PRO 6 -9.116 -1.425 6.244
33 HD3 PRO 6 2HD PRO 6 -11.073 -1.667 5.050
34 HA PRO 7 HA PRO 7 -6.121 -0.685 0.105
35 HB3 PRO 7 2HB PRO 7 -5.615 1.540 -0.166
36 HG3 PRO 7 2HG PRO 7 -5.743 3.026 1.618
37 HD3 PRO 7 2HD PRO 7 -7.804 2.012 1.800
38 H ILE 8 H ILE 8 -4.127 -1.778 -0.019
39 HA ILE 8 HA ILE 8 -3.073 -2.695 2.578
40 HB ILE 8 HB ILE 8 -3.211 -4.216 -0.027
41 HG13 ILE 8 2HG1 ILE 8 -4.713 -5.722 1.242
42 HG21 ILE 8 1HG2 ILE 8 -1.926 -4.858 2.608
43 HG22 ILE 8 2HG2 ILE 8 -2.403 -6.116 1.470
44 HG23 ILE 8 3HG2 ILE 8 -1.215 -4.904 0.996
45 HD11 ILE 8 1HD1 ILE 8 -5.529 -5.305 3.352
46 HD12 ILE 8 2HD1 ILE 8 -3.825 -4.879 3.521
47 HD13 ILE 8 3HD1 ILE 8 -5.037 -3.612 3.323
48 H CYS 9 H CYS 9 -1.081 -2.034 2.991
49 HA CYS 9 HA CYS 9 0.842 -1.826 0.783
50 HB3 CYS 9 2HB CYS 9 1.546 0.323 1.342
51 HA E9V 10 HA NHI 10 3.416 -3.289 4.042
52 HB2 E9V 10 2HB NHI 10 5.346 -3.193 1.721
53 HB3 E9V 10 3HB NHI 10 5.358 -4.316 3.077
54 HD1 E9V 10 1HD NHI 10 3.033 -5.850 3.167
55 HD2 E9V 10 2HD NHI 10 4.182 -4.229 -0.483
56 HE1 E9V 10 1HE NHI 10 1.832 -7.205 1.420
57 3HN E9V 10 3HN NHI 10 4.075 -1.975 0.707
58 H1 E9V 10 H NHI 10 3.545 -0.431 1.417
59 2HN E9V 10 2HN NHI 10 2.394 -1.428 0.493
60 H DPN 11 H DPH 11 3.466 -0.266 3.415
61 HA DPN 11 HA DPH 11 6.119 0.317 4.544
62 HB2 DPN 11 2HB DPH 11 4.453 0.348 6.354
63 HB3 DPN 11 3HB DPH 11 3.497 1.522 5.455
64 HD1 DPN 11 1HD DPH 11 7.153 1.299 6.141
65 HD2 DPN 11 2HD DPH 11 3.550 3.518 6.598
66 HE1 DPN 11 1HE DPH 11 8.417 3.129 7.196
67 HE2 DPN 11 2HE DPH 11 4.806 5.349 7.654
68 HZ DPN 11 HZ DPH 11 7.242 5.157 7.955
69 HA MMO 12 HA NAR 12 5.328 3.331 1.339
70 HCB1 MMO 12 2HB NAR 12 8.287 2.726 1.483
71 HCB2 MMO 12 3HB NAR 12 7.591 4.120 0.669
72 HCG1 MMO 12 2HG NAR 12 7.036 3.608 3.564
73 HCG2 MMO 12 3HG NAR 12 8.524 4.406 3.048
74 HCD1 MMO 12 2HD NAR 12 7.385 6.241 2.181
75 HCD2 MMO 12 3HD NAR 12 5.859 5.362 2.071
76 HH21 MMO 12 1HH2 NAR 12 5.629 7.051 6.155
77 HH22 MMO 12 2HH2 NAR 12 5.063 8.550 5.500
78 HH11 MMO 12 1HH1 NAR 12 5.845 7.735 2.192
79 HC1 MMO 12 2HN NAR 12 7.386 0.402 1.305
80 HC2 MMO 12 3HN NAR 12 6.039 -0.459 2.087
81 HC3 MMO 12 H NAR 12 7.352 0.223 3.075
82 HE MMO 12 HE NAR 12 6.496 5.472 4.755
83 HH12 MMO 12 2HH1 NAR 12 5.186 8.940 3.246
84 H TRP 13 H TRP 13 4.179 2.262 -0.264
85 HA TRP 13 HA TRP 13 5.667 1.691 -2.655
86 HB3 TRP 13 2HB TRP 13 4.308 -0.599 -2.782
87 HD1 TRP 13 HD TRP 13 6.627 -1.483 -0.064
88 HE1 TRP 13 1HE TRP 13 8.923 -2.160 -1.007
89 HE3 TRP 13 3HE TRP 13 6.061 0.193 -4.860
90 HZ2 TRP 13 2HZ TRP 13 10.312 -2.006 -3.460
91 HZ3 TRP 13 3HZ TRP 13 7.921 -0.109 -6.442
92 HH2 TRP 13 HH TRP 13 10.001 -1.186 -5.755
93 H ARG 14 H ARG 14 4.401 1.771 -4.513
94 HA ARG 14 HA ARG 14 2.089 3.334 -4.408
95 HB3 ARG 14 2HB ARG 14 3.416 3.277 -6.410
96 HG3 ARG 14 2HG ARG 14 2.525 0.476 -6.988
97 HD3 ARG 14 2HD ARG 14 4.637 2.314 -8.093
98 HE ARG 14 HE ARG 14 5.706 0.348 -8.574
99 HH11 ARG 14 1HH2 ARG 14 5.928 -1.716 -9.519
100 HH12 ARG 14 2HH2 ARG 14 4.515 -2.571 -10.040
101 HH21 ARG 14 1HH1 ARG 14 2.283 -0.062 -9.060
102 HH22 ARG 14 2HH1 ARG 14 2.442 -1.631 -9.779
Start of MODEL 17
1 H1 CYS 1 H CYS 1 0.599 2.527 -3.871
2 HA CYS 1 HA CYS 1 0.250 0.131 -2.304
3 HB3 CYS 1 2HB CYS 1 -1.889 1.568 -1.617
4 H THR 2 H THR 2 -1.912 -0.891 -2.101
5 HA THR 2 HA THR 2 -2.934 -1.510 -4.745
6 HB THR 2 HB THR 2 -4.054 -3.365 -3.756
7 HG1 THR 2 1HG THR 2 -4.515 -3.497 -1.631
8 HG21 THR 2 1HG2 THR 2 -1.380 -2.943 -2.418
9 HG22 THR 2 2HG2 THR 2 -1.675 -3.715 -3.975
10 HG23 THR 2 3HG2 THR 2 -2.232 -4.485 -2.490
11 H ALA 3 H ALA 3 -5.047 -1.241 -5.427
12 HA ALA 3 HA ALA 3 -6.476 0.940 -4.181
13 HB1 ALA 3 1HB ALA 3 -7.575 -0.570 -6.502
14 HB2 ALA 3 2HB ALA 3 -7.629 1.158 -6.152
15 HB3 ALA 3 3HB ALA 3 -6.133 0.422 -6.728
16 H SER 4 H SER 4 -6.525 -0.957 -2.337
17 HA SER 4 HA SER 4 -9.121 -2.316 -2.593
18 HB3 SER 4 2HB SER 4 -7.266 -3.830 -2.121
19 HG SER 4 HG SER 4 -5.949 -2.257 -1.014
20 H ILE 5 H ILE 5 -10.247 -2.583 -0.389
21 HA ILE 5 HA ILE 5 -9.974 -0.176 1.262
22 HB ILE 5 HB ILE 5 -12.619 -1.140 0.167
23 HG13 ILE 5 2HG1 ILE 5 -10.711 0.978 -0.691
24 HG21 ILE 5 1HG2 ILE 5 -12.901 -0.240 2.364
25 HG22 ILE 5 2HG2 ILE 5 -11.895 1.155 1.977
26 HG23 ILE 5 3HG2 ILE 5 -13.467 0.962 1.205
27 HD11 ILE 5 1HD1 ILE 5 -10.831 -0.355 -2.475
28 HD12 ILE 5 2HD1 ILE 5 -12.343 -1.093 -1.944
29 HD13 ILE 5 3HD1 ILE 5 -12.365 0.458 -2.783
30 HA PRO 6 HA PRO 6 -9.376 0.211 3.000
31 HB3 PRO 6 2HB PRO 6 -9.074 -0.082 5.259
32 HG3 PRO 6 2HG PRO 6 -9.134 -2.202 6.212
33 HD3 PRO 6 2HD PRO 6 -11.081 -2.266 4.984
34 HA PRO 7 HA PRO 7 -6.078 -0.710 0.243
35 HB3 PRO 7 2HB PRO 7 -5.545 1.525 0.266
36 HG3 PRO 7 2HG PRO 7 -5.669 2.767 2.229
37 HD3 PRO 7 2HD PRO 7 -7.743 1.764 2.262
38 H ILE 8 H ILE 8 -4.087 -1.794 -0.008
39 HA ILE 8 HA ILE 8 -3.056 -3.043 2.457
40 HB ILE 8 HB ILE 8 -3.224 -4.249 -0.307
41 HG13 ILE 8 2HG1 ILE 8 -4.812 -5.804 0.683
42 HG21 ILE 8 1HG2 ILE 8 -1.879 -5.139 2.210
43 HG22 ILE 8 2HG2 ILE 8 -2.502 -6.328 1.067
44 HG23 ILE 8 3HG2 ILE 8 -1.282 -5.165 0.550
45 HD11 ILE 8 1HD1 ILE 8 -4.873 -6.183 2.857
46 HD12 ILE 8 2HD1 ILE 8 -3.826 -4.800 3.173
47 HD13 ILE 8 3HD1 ILE 8 -5.573 -4.580 3.078
48 H CYS 9 H CYS 9 -1.186 -2.066 2.917
49 HA CYS 9 HA CYS 9 0.859 -1.962 0.817
50 HB3 CYS 9 2HB CYS 9 1.466 0.254 1.256
51 HA E9V 10 HA NHI 10 3.276 -3.029 4.341
52 HB2 E9V 10 2HB NHI 10 5.336 -3.084 2.132
53 HB3 E9V 10 3HB NHI 10 5.297 -4.077 3.587
54 HD1 E9V 10 1HD NHI 10 2.426 -5.114 3.486
55 HD2 E9V 10 2HD NHI 10 4.922 -4.916 0.171
56 HE1 E9V 10 1HE NHI 10 1.518 -6.803 1.860
57 3HN E9V 10 3HN NHI 10 4.091 -1.999 0.939
58 H1 E9V 10 H NHI 10 3.469 -0.420 1.474
59 2HN E9V 10 2HN NHI 10 2.410 -1.539 0.582
60 H DPN 11 H DPH 11 3.268 -0.080 3.444
61 HA DPN 11 HA DPH 11 5.839 0.699 4.642
62 HB2 DPN 11 2HB DPH 11 4.044 0.812 6.345
63 HB3 DPN 11 3HB DPH 11 3.154 1.923 5.310
64 HD1 DPN 11 1HD DPH 11 6.684 1.655 6.499
65 HD2 DPN 11 2HD DPH 11 3.216 4.081 6.055
66 HE1 DPN 11 1HE DPH 11 7.885 3.552 7.508
67 HE2 DPN 11 2HE DPH 11 4.410 5.981 7.064
68 HZ DPN 11 HZ DPH 11 6.749 5.718 7.790
69 HA MMO 12 HA NAR 12 5.106 3.388 1.148
70 HCB1 MMO 12 2HB NAR 12 8.076 2.913 1.456
71 HCB2 MMO 12 3HB NAR 12 7.357 4.221 0.526
72 HCG1 MMO 12 2HG NAR 12 6.221 4.929 2.685
73 HCG2 MMO 12 3HG NAR 12 7.317 3.810 3.497
74 HCD1 MMO 12 2HD NAR 12 8.306 5.947 1.629
75 HCD2 MMO 12 3HD NAR 12 8.034 6.255 3.344
76 HH21 MMO 12 1HH2 NAR 12 11.894 4.087 3.411
77 HH22 MMO 12 2HH2 NAR 12 12.736 5.529 2.949
78 HH11 MMO 12 1HH1 NAR 12 9.843 7.289 2.081
79 HC1 MMO 12 2HN NAR 12 7.258 0.548 1.468
80 HC2 MMO 12 3HN NAR 12 5.905 -0.291 2.263
81 HC3 MMO 12 H NAR 12 7.146 0.524 3.244
82 HE MMO 12 HE NAR 12 9.619 4.020 3.257
83 HH12 MMO 12 2HH1 NAR 12 11.569 7.349 2.194
84 H TRP 13 H TRP 13 4.075 2.139 -0.404
85 HA TRP 13 HA TRP 13 5.801 1.239 -2.570
86 HB3 TRP 13 2HB TRP 13 4.157 -0.825 -2.719
87 HD1 TRP 13 HD TRP 13 5.941 -1.337 0.555
88 HE1 TRP 13 1HE TRP 13 8.151 -2.589 0.144
89 HE3 TRP 13 3HE TRP 13 6.097 -1.054 -4.547
90 HZ2 TRP 13 2HZ TRP 13 9.750 -3.354 -2.053
91 HZ3 TRP 13 3HZ TRP 13 8.002 -2.071 -5.727
92 HH2 TRP 13 HH TRP 13 9.789 -3.196 -4.503
93 H ARG 14 H ARG 14 4.334 0.503 -4.483
94 HA ARG 14 HA ARG 14 2.614 2.707 -5.077
95 HB3 ARG 14 2HB ARG 14 2.157 1.093 -7.146
96 HG3 ARG 14 2HG ARG 14 4.913 2.244 -6.855
97 HD3 ARG 14 2HD ARG 14 3.013 1.760 -9.131
98 HE ARG 14 HE ARG 14 4.577 4.007 -9.024
99 HH11 ARG 14 1HH2 ARG 14 5.394 5.062 -10.874
100 HH12 ARG 14 2HH2 ARG 14 5.610 4.166 -12.340
101 HH21 ARG 14 1HH1 ARG 14 4.457 1.146 -11.004
102 HH22 ARG 14 2HH1 ARG 14 5.076 1.938 -12.415
Start of MODEL 18
1 H1 CYS 1 H CYS 1 0.723 2.556 -3.683
2 HA CYS 1 HA CYS 1 0.251 0.128 -2.330
3 HB3 CYS 1 2HB CYS 1 -1.896 1.520 -1.596
4 H THR 2 H THR 2 -1.924 -0.895 -2.106
5 HA THR 2 HA THR 2 -2.942 -1.529 -4.749
6 HB THR 2 HB THR 2 -4.082 -3.371 -3.738
7 HG1 THR 2 1HG THR 2 -4.504 -3.490 -1.607
8 HG21 THR 2 1HG2 THR 2 -1.844 -3.751 -1.981
9 HG22 THR 2 2HG2 THR 2 -1.306 -2.967 -3.466
10 HG23 THR 2 3HG2 THR 2 -2.171 -4.502 -3.544
11 H ALA 3 H ALA 3 -5.058 -1.271 -5.431
12 HA ALA 3 HA ALA 3 -6.489 0.917 -4.198
13 HB1 ALA 3 1HB ALA 3 -7.531 -0.636 -6.530
14 HB2 ALA 3 2HB ALA 3 -7.695 1.082 -6.162
15 HB3 ALA 3 3HB ALA 3 -6.151 0.445 -6.729
16 H SER 4 H SER 4 -6.534 -0.970 -2.343
17 HA SER 4 HA SER 4 -9.128 -2.336 -2.589
18 HB3 SER 4 2HB SER 4 -7.269 -3.842 -2.108
19 HG SER 4 HG SER 4 -5.955 -2.261 -1.010
20 H ILE 5 H ILE 5 -10.252 -2.591 -0.383
21 HA ILE 5 HA ILE 5 -9.983 -0.175 1.255
22 HB ILE 5 HB ILE 5 -12.614 -1.145 0.131
23 HG13 ILE 5 2HG1 ILE 5 -12.654 0.952 -1.111
24 HG21 ILE 5 1HG2 ILE 5 -11.953 0.478 2.417
25 HG22 ILE 5 2HG2 ILE 5 -12.902 1.395 1.248
26 HG23 ILE 5 3HG2 ILE 5 -13.520 -0.128 1.887
27 HD11 ILE 5 1HD1 ILE 5 -10.004 1.828 -1.071
28 HD12 ILE 5 2HD1 ILE 5 -11.433 2.686 -0.491
29 HD13 ILE 5 3HD1 ILE 5 -10.491 1.689 0.619
30 HA PRO 6 HA PRO 6 -9.389 0.222 2.992
31 HB3 PRO 6 2HB PRO 6 -9.088 -0.058 5.252
32 HG3 PRO 6 2HG PRO 6 -9.147 -2.173 6.217
33 HD3 PRO 6 2HD PRO 6 -11.094 -2.246 4.986
34 HA PRO 7 HA PRO 7 -6.085 -0.710 0.243
35 HB3 PRO 7 2HB PRO 7 -5.557 1.526 0.253
36 HG3 PRO 7 2HG PRO 7 -5.687 2.781 2.207
37 HD3 PRO 7 2HD PRO 7 -7.760 1.774 2.243
38 H ILE 8 H ILE 8 -4.090 -1.788 0.001
39 HA ILE 8 HA ILE 8 -3.057 -3.016 2.476
40 HB ILE 8 HB ILE 8 -3.222 -4.248 -0.278
41 HG13 ILE 8 2HG1 ILE 8 -4.814 -5.792 0.723
42 HG21 ILE 8 1HG2 ILE 8 -2.528 -6.312 1.182
43 HG22 ILE 8 2HG2 ILE 8 -1.309 -5.204 0.554
44 HG23 ILE 8 3HG2 ILE 8 -1.841 -5.072 2.230
45 HD11 ILE 8 1HD1 ILE 8 -5.738 -5.431 2.949
46 HD12 ILE 8 2HD1 ILE 8 -4.026 -5.846 3.018
47 HD13 ILE 8 3HD1 ILE 8 -4.538 -4.174 3.245
48 H CYS 9 H CYS 9 -1.179 -2.060 2.929
49 HA CYS 9 HA CYS 9 0.855 -1.949 0.817
50 HB3 CYS 9 2HB CYS 9 1.473 0.262 1.267
51 HA E9V 10 HA NHI 10 3.292 -3.050 4.315
52 HB2 E9V 10 2HB NHI 10 4.168 -4.017 1.958
53 HB3 E9V 10 3HB NHI 10 5.591 -3.099 2.443
54 HD1 E9V 10 1HD NHI 10 4.779 -3.878 5.589
55 HD2 E9V 10 2HD NHI 10 5.760 -6.357 2.403
56 HE1 E9V 10 1HE NHI 10 5.588 -6.020 6.628
57 3HN E9V 10 3HN NHI 10 4.087 -1.997 0.917
58 H1 E9V 10 H NHI 10 3.473 -0.419 1.466
59 2HN E9V 10 2HN NHI 10 2.405 -1.528 0.573
60 H DPN 11 H DPH 11 3.283 -0.092 3.438
61 HA DPN 11 HA DPH 11 5.856 0.677 4.639
62 HB2 DPN 11 2HB DPH 11 3.865 0.746 6.249
63 HB3 DPN 11 3HB DPH 11 3.276 2.094 5.283
64 HD1 DPN 11 1HD DPH 11 6.254 0.955 7.196
65 HD2 DPN 11 2HD DPH 11 3.969 4.248 5.762
66 HE1 DPN 11 1HE DPH 11 7.665 2.495 8.495
67 HE2 DPN 11 2HE DPH 11 5.376 5.793 7.060
68 HZ DPN 11 HZ DPH 11 7.227 4.918 8.429
69 HA MMO 12 HA NAR 12 5.126 3.389 1.161
70 HCB1 MMO 12 2HB NAR 12 8.111 2.931 1.305
71 HCB2 MMO 12 3HB NAR 12 7.289 4.335 0.634
72 HCG1 MMO 12 2HG NAR 12 6.294 4.450 3.092
73 HCG2 MMO 12 3HG NAR 12 7.796 3.597 3.456
74 HCD1 MMO 12 2HD NAR 12 8.687 5.563 1.808
75 HCD2 MMO 12 3HD NAR 12 7.350 6.377 2.621
76 HH21 MMO 12 1HH2 NAR 12 10.439 6.049 5.830
77 HH22 MMO 12 2HH2 NAR 12 11.696 5.013 5.243
78 HH11 MMO 12 1HH1 NAR 12 10.048 4.221 2.262
79 HC1 MMO 12 2HN NAR 12 5.924 -0.299 2.258
80 HC2 MMO 12 3HN NAR 12 7.165 0.512 3.242
81 HC3 MMO 12 H NAR 12 7.277 0.546 1.466
82 HE MMO 12 HE NAR 12 8.566 6.367 4.566
83 HH12 MMO 12 2HH1 NAR 12 11.475 3.972 3.213
84 H TRP 13 H TRP 13 4.096 2.149 -0.399
85 HA TRP 13 HA TRP 13 5.814 1.286 -2.581
86 HB3 TRP 13 2HB TRP 13 4.174 -0.808 -2.704
87 HD1 TRP 13 HD TRP 13 5.987 -1.634 0.409
88 HE1 TRP 13 1HE TRP 13 8.255 -2.724 -0.130
89 HE3 TRP 13 3HE TRP 13 6.240 -0.558 -4.583
90 HZ2 TRP 13 2HZ TRP 13 9.930 -3.081 -2.374
91 HZ3 TRP 13 3HZ TRP 13 8.208 -1.310 -5.852
92 HH2 TRP 13 HH TRP 13 10.015 -2.545 -4.770
93 H ARG 14 H ARG 14 4.384 0.584 -4.502
94 HA ARG 14 HA ARG 14 2.599 2.734 -5.056
95 HB3 ARG 14 2HB ARG 14 3.886 1.882 -6.870
96 HG3 ARG 14 2HG ARG 14 3.043 -0.744 -5.879
97 HD3 ARG 14 2HD ARG 14 3.168 -0.136 -8.829
98 HE ARG 14 HE ARG 14 3.739 -2.617 -7.488
99 HH11 ARG 14 1HH2 ARG 14 4.189 -4.430 -8.797
100 HH12 ARG 14 2HH2 ARG 14 3.799 -4.382 -10.484
101 HH21 ARG 14 1HH1 ARG 14 2.503 -1.136 -10.386
102 HH22 ARG 14 2HH1 ARG 14 2.841 -2.508 -11.388
Start of MODEL 19
1 H1 CYS 1 H CYS 1 -0.034 2.633 -3.890
2 HA CYS 1 HA CYS 1 0.329 0.112 -2.451
3 HB3 CYS 1 2HB CYS 1 -1.872 0.947 -1.330
4 H THR 2 H THR 2 -1.985 -0.970 -2.058
5 HA THR 2 HA THR 2 -2.846 -1.810 -4.700
6 HB THR 2 HB THR 2 -4.090 -3.569 -3.545
7 HG1 THR 2 1HG THR 2 -4.640 -2.333 -1.662
8 HG21 THR 2 1HG2 THR 2 -2.250 -4.826 -3.196
9 HG22 THR 2 2HG2 THR 2 -1.580 -3.696 -2.018
10 HG23 THR 2 3HG2 THR 2 -1.386 -3.390 -3.745
11 H ALA 3 H ALA 3 -5.010 -1.813 -5.412
12 HA ALA 3 HA ALA 3 -6.532 0.470 -4.501
13 HB1 ALA 3 1HB ALA 3 -6.227 -0.053 -6.910
14 HB2 ALA 3 2HB ALA 3 -7.221 -1.491 -6.683
15 HB3 ALA 3 3HB ALA 3 -7.916 0.110 -6.428
16 H SER 4 H SER 4 -6.524 -1.149 -2.406
17 HA SER 4 HA SER 4 -9.064 -2.630 -2.474
18 HB3 SER 4 2HB SER 4 -7.509 -4.162 -1.696
19 HG SER 4 HG SER 4 -5.700 -3.635 -0.596
20 H ILE 5 H ILE 5 -10.197 -2.626 -0.258
21 HA ILE 5 HA ILE 5 -10.009 -0.027 1.074
22 HB ILE 5 HB ILE 5 -11.704 0.407 -0.546
23 HG13 ILE 5 2HG1 ILE 5 -12.086 0.905 1.994
24 HG21 ILE 5 1HG2 ILE 5 -12.316 -2.370 -0.179
25 HG22 ILE 5 2HG2 ILE 5 -13.777 -1.402 0.002
26 HG23 ILE 5 3HG2 ILE 5 -12.815 -1.279 -1.470
27 HD11 ILE 5 1HD1 ILE 5 -14.670 0.999 0.556
28 HD12 ILE 5 2HD1 ILE 5 -13.850 2.238 1.503
29 HD13 ILE 5 3HD1 ILE 5 -13.308 1.879 -0.136
30 HA PRO 6 HA PRO 6 -9.402 0.524 2.762
31 HB3 PRO 6 2HB PRO 6 -9.135 0.481 5.043
32 HG3 PRO 6 2HG PRO 6 -9.251 -1.516 6.228
33 HD3 PRO 6 2HD PRO 6 -11.185 -1.680 4.983
34 HA PRO 7 HA PRO 7 -6.092 -0.769 0.172
35 HB3 PRO 7 2HB PRO 7 -5.526 1.445 -0.065
36 HG3 PRO 7 2HG PRO 7 -5.654 2.913 1.733
37 HD3 PRO 7 2HD PRO 7 -7.744 1.951 1.859
38 H ILE 8 H ILE 8 -4.010 -1.785 0.083
39 HA ILE 8 HA ILE 8 -3.050 -2.770 2.690
40 HB ILE 8 HB ILE 8 -3.233 -4.325 0.106
41 HG13 ILE 8 2HG1 ILE 8 -4.843 -5.715 1.278
42 HG21 ILE 8 1HG2 ILE 8 -2.596 -6.157 1.972
43 HG22 ILE 8 2HG2 ILE 8 -1.407 -5.337 0.961
44 HG23 ILE 8 3HG2 ILE 8 -1.720 -4.761 2.597
45 HD11 ILE 8 1HD1 ILE 8 -4.569 -3.832 3.609
46 HD12 ILE 8 2HD1 ILE 8 -5.720 -5.161 3.460
47 HD13 ILE 8 3HD1 ILE 8 -3.992 -5.498 3.563
48 H CYS 9 H CYS 9 -1.139 -1.852 3.048
49 HA CYS 9 HA CYS 9 0.831 -1.853 0.860
50 HB3 CYS 9 2HB CYS 9 1.562 0.305 1.357
51 HA E9V 10 HA NHI 10 3.378 -3.225 4.181
52 HB2 E9V 10 2HB NHI 10 4.023 -4.323 1.936
53 HB3 E9V 10 3HB NHI 10 5.412 -3.240 1.963
54 HD1 E9V 10 1HD NHI 10 3.821 -5.815 4.275
55 HD2 E9V 10 2HD NHI 10 7.548 -4.314 3.220
56 HE1 E9V 10 1HE NHI 10 5.489 -7.198 5.552
57 3HN E9V 10 3HN NHI 10 4.064 -2.039 0.802
58 H1 E9V 10 H NHI 10 3.546 -0.467 1.456
59 2HN E9V 10 2HN NHI 10 2.390 -1.484 0.563
60 H DPN 11 H DPH 11 3.462 -0.231 3.454
61 HA DPN 11 HA DPH 11 6.128 0.367 4.542
62 HB2 DPN 11 2HB DPH 11 4.094 0.431 6.202
63 HB3 DPN 11 3HB DPH 11 3.753 1.969 5.417
64 HD1 DPN 11 1HD DPH 11 5.167 0.641 8.205
65 HD2 DPN 11 2HD DPH 11 6.112 3.367 5.076
66 HE1 DPN 11 1HE DPH 11 6.809 1.745 9.668
67 HE2 DPN 11 2HE DPH 11 7.754 4.477 6.533
68 HZ DPN 11 HZ DPH 11 8.105 3.666 8.832
69 HA MMO 12 HA NAR 12 5.312 3.310 1.281
70 HCB1 MMO 12 2HB NAR 12 8.245 2.660 1.538
71 HCB2 MMO 12 3HB NAR 12 7.655 3.918 0.462
72 HCG1 MMO 12 2HG NAR 12 6.547 4.961 2.468
73 HCG2 MMO 12 3HG NAR 12 7.449 3.809 3.456
74 HCD1 MMO 12 2HD NAR 12 9.506 4.743 2.884
75 HCD2 MMO 12 3HD NAR 12 8.849 5.546 1.459
76 HH21 MMO 12 1HH2 NAR 12 8.221 8.602 4.603
77 HH22 MMO 12 2HH2 NAR 12 9.906 8.997 4.635
78 HH11 MMO 12 1HH1 NAR 12 10.891 6.202 2.776
79 HC1 MMO 12 2HN NAR 12 7.342 0.359 1.279
80 HC2 MMO 12 3HN NAR 12 6.008 -0.472 2.114
81 HC3 MMO 12 H NAR 12 7.345 0.233 3.054
82 HE MMO 12 HE NAR 12 7.529 6.716 3.522
83 HH12 MMO 12 2HH1 NAR 12 11.426 7.632 3.596
84 H TRP 13 H TRP 13 4.112 2.243 -0.278
85 HA TRP 13 HA TRP 13 5.590 1.484 -2.648
86 HB3 TRP 13 2HB TRP 13 3.986 -0.628 -2.747
87 HD1 TRP 13 HD TRP 13 6.073 -1.606 0.145
88 HE1 TRP 13 1HE TRP 13 8.300 -2.620 -0.653
89 HE3 TRP 13 3HE TRP 13 5.876 -0.230 -4.776
90 HZ2 TRP 13 2HZ TRP 13 9.778 -2.811 -3.051
91 HZ3 TRP 13 3HZ TRP 13 7.737 -0.868 -6.254
92 HH2 TRP 13 HH TRP 13 9.647 -2.131 -5.408
93 H ARG 14 H ARG 14 4.306 1.470 -4.549
94 HA ARG 14 HA ARG 14 2.180 3.343 -4.518
95 HB3 ARG 14 2HB ARG 14 3.594 3.194 -6.457
96 HG3 ARG 14 2HG ARG 14 2.515 0.649 -7.451
97 HD3 ARG 14 2HD ARG 14 5.402 1.251 -7.394
98 HE ARG 14 HE ARG 14 5.128 -0.230 -9.099
99 HH11 ARG 14 1HH2 ARG 14 4.233 -1.095 -11.011
100 HH12 ARG 14 2HH2 ARG 14 2.794 -0.396 -11.671
101 HH21 ARG 14 1HH1 ARG 14 2.485 2.035 -9.177
102 HH22 ARG 14 2HH1 ARG 14 1.798 1.386 -10.629
Start of MODEL 20
1 H1 CYS 1 H CYS 1 0.505 2.661 -3.580
2 HA CYS 1 HA CYS 1 0.269 0.124 -2.376
3 HB3 CYS 1 2HB CYS 1 -1.928 1.240 -1.457
4 H THR 2 H THR 2 -1.950 -0.951 -2.112
5 HA THR 2 HA THR 2 -2.881 -1.647 -4.771
6 HB THR 2 HB THR 2 -4.185 -3.413 -3.608
7 HG1 THR 2 1HG THR 2 -2.813 -2.726 -1.233
8 HG21 THR 2 1HG2 THR 2 -2.189 -4.318 -4.247
9 HG22 THR 2 2HG2 THR 2 -2.003 -4.462 -2.499
10 HG23 THR 2 3HG2 THR 2 -1.240 -3.127 -3.360
11 H ALA 3 H ALA 3 -5.045 -1.572 -5.447
12 HA ALA 3 HA ALA 3 -6.533 0.660 -4.375
13 HB1 ALA 3 1HB ALA 3 -8.123 0.047 -6.273
14 HB2 ALA 3 2HB ALA 3 -6.505 0.589 -6.718
15 HB3 ALA 3 3HB ALA 3 -6.903 -1.130 -6.758
16 H SER 4 H SER 4 -6.514 -1.028 -2.358
17 HA SER 4 HA SER 4 -9.047 -2.522 -2.459
18 HB3 SER 4 2HB SER 4 -7.566 -4.100 -1.699
19 HG SER 4 HG SER 4 -5.603 -3.483 -1.337
20 H ILE 5 H ILE 5 -10.171 -2.602 -0.244
21 HA ILE 5 HA ILE 5 -9.993 -0.047 1.174
22 HB ILE 5 HB ILE 5 -11.708 0.413 -0.422
23 HG13 ILE 5 2HG1 ILE 5 -12.091 1.031 1.998
24 HG21 ILE 5 1HG2 ILE 5 -13.512 -0.991 -0.952
25 HG22 ILE 5 2HG2 ILE 5 -12.113 -2.059 -0.885
26 HG23 ILE 5 3HG2 ILE 5 -13.247 -2.008 0.464
27 HD11 ILE 5 1HD1 ILE 5 -13.990 2.096 1.508
28 HD12 ILE 5 2HD1 ILE 5 -13.770 1.408 -0.101
29 HD13 ILE 5 3HD1 ILE 5 -14.827 0.609 1.064
30 HA PRO 6 HA PRO 6 -9.333 0.429 2.866
31 HB3 PRO 6 2HB PRO 6 -9.022 0.304 5.138
32 HG3 PRO 6 2HG PRO 6 -9.125 -1.733 6.254
33 HD3 PRO 6 2HD PRO 6 -11.082 -1.844 5.043
34 HA PRO 7 HA PRO 7 -6.082 -0.783 0.165
35 HB3 PRO 7 2HB PRO 7 -5.508 1.435 -0.001
36 HG3 PRO 7 2HG PRO 7 -5.591 2.838 1.851
37 HD3 PRO 7 2HD PRO 7 -7.684 1.881 1.983
38 H ILE 8 H ILE 8 -4.048 -1.849 -0.005
39 HA ILE 8 HA ILE 8 -3.056 -2.949 2.545
40 HB ILE 8 HB ILE 8 -3.092 -4.366 -0.122
41 HG13 ILE 8 2HG1 ILE 8 -5.356 -4.020 0.899
42 HG21 ILE 8 1HG2 ILE 8 -2.796 -6.134 2.061
43 HG22 ILE 8 2HG2 ILE 8 -1.631 -5.761 0.790
44 HG23 ILE 8 3HG2 ILE 8 -1.637 -4.822 2.284
45 HD11 ILE 8 1HD1 ILE 8 -4.542 -6.205 -0.336
46 HD12 ILE 8 2HD1 ILE 8 -4.838 -6.913 1.252
47 HD13 ILE 8 3HD1 ILE 8 -6.140 -6.087 0.398
48 H CYS 9 H CYS 9 -1.181 -1.962 2.955
49 HA CYS 9 HA CYS 9 0.843 -1.922 0.820
50 HB3 CYS 9 2HB CYS 9 1.497 0.265 1.283
51 HA E9V 10 HA NHI 10 3.318 -3.151 4.247
52 HB2 E9V 10 2HB NHI 10 5.343 -3.164 2.007
53 HB3 E9V 10 3HB NHI 10 5.290 -4.221 3.414
54 HD1 E9V 10 1HD NHI 10 5.211 -5.057 0.303
55 HD2 E9V 10 2HD NHI 10 2.030 -5.010 2.975
56 HE1 E9V 10 1HE NHI 10 3.526 -6.675 -0.628
57 3HN E9V 10 3HN NHI 10 4.078 -2.020 0.865
58 H1 E9V 10 H NHI 10 3.500 -0.449 1.466
59 2HN E9V 10 2HN NHI 10 2.399 -1.516 0.561
60 H DPN 11 H DPH 11 3.347 -0.171 3.456
61 HA DPN 11 HA DPH 11 5.960 0.520 4.613
62 HB2 DPN 11 2HB DPH 11 4.267 0.612 6.390
63 HB3 DPN 11 3HB DPH 11 3.294 1.705 5.413
64 HD1 DPN 11 1HD DPH 11 6.945 1.636 6.150
65 HD2 DPN 11 2HD DPH 11 3.266 3.754 6.460
66 HE1 DPN 11 1HE DPH 11 8.137 3.556 7.123
67 HE2 DPN 11 2HE DPH 11 4.453 5.677 7.434
68 HZ DPN 11 HZ DPH 11 6.890 5.579 7.768
69 HA MMO 12 HA NAR 12 5.180 3.358 1.250
70 HCB1 MMO 12 2HB NAR 12 8.147 2.806 1.428
71 HCB2 MMO 12 3HB NAR 12 7.422 4.170 0.589
72 HCG1 MMO 12 2HG NAR 12 6.938 3.685 3.508
73 HCG2 MMO 12 3HG NAR 12 8.354 4.565 2.929
74 HCD1 MMO 12 2HD NAR 12 5.533 5.297 2.178
75 HCD2 MMO 12 3HD NAR 12 6.366 5.977 3.576
76 HH21 MMO 12 1HH2 NAR 12 8.115 8.348 0.280
77 HH22 MMO 12 2HH2 NAR 12 6.903 9.542 0.596
78 HH11 MMO 12 1HH1 NAR 12 5.044 7.508 2.748
79 HC1 MMO 12 2HN NAR 12 7.227 0.378 3.169
80 HC2 MMO 12 3HN NAR 12 7.284 0.468 1.394
81 HC3 MMO 12 H NAR 12 5.943 -0.381 2.198
82 HE MMO 12 HE NAR 12 7.956 6.299 1.271
83 HH12 MMO 12 2HH1 NAR 12 5.157 9.066 2.000
84 H TRP 13 H TRP 13 4.069 2.202 -0.317
85 HA TRP 13 HA TRP 13 5.684 1.382 -2.588
86 HB3 TRP 13 2HB TRP 13 4.084 -0.702 -2.751
87 HD1 TRP 13 HD TRP 13 5.928 -1.360 0.451
88 HE1 TRP 13 1HE TRP 13 8.159 -2.538 -0.060
89 HE3 TRP 13 3HE TRP 13 6.024 -0.752 -4.625
90 HZ2 TRP 13 2HZ TRP 13 9.749 -3.129 -2.315
91 HZ3 TRP 13 3HZ TRP 13 7.936 -1.652 -5.884
92 HH2 TRP 13 HH TRP 13 9.759 -2.815 -4.752
93 H ARG 14 H ARG 14 4.316 0.968 -4.531
94 HA ARG 14 HA ARG 14 2.410 3.063 -4.823
95 HB3 ARG 14 2HB ARG 14 2.049 1.798 -7.097
96 HG3 ARG 14 2HG ARG 14 4.786 2.908 -6.527
97 HD3 ARG 14 2HD ARG 14 4.808 3.534 -8.819
98 HE ARG 14 HE ARG 14 4.645 0.853 -8.203
99 HH11 ARG 14 1HH2 ARG 14 5.106 -0.790 -9.718
100 HH12 ARG 14 2HH2 ARG 14 4.964 -0.453 -11.409
101 HH21 ARG 14 1HH1 ARG 14 3.972 2.869 -10.959
102 HH22 ARG 14 2HH1 ARG 14 4.320 1.628 -12.117