NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
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641059 |
6img   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 0 -7.077 8.534 -5.053
2 H2 ACE 1 H2 ACE 0 -7.425 7.538 -6.465
3 H3 ACE 1 H3 ACE 0 -6.503 9.030 -6.645
4 H GLY 2 H1 GLY 1 -4.804 8.742 -4.405
5 HA2 GLY 2 HA2 GLY 1 -2.850 6.914 -5.496
6 HA3 GLY 2 HA3 GLY 1 -2.632 7.976 -4.107
7 H CYS 3 H CYS 2 -1.548 5.648 -3.701
8 HA CYS 3 HA CYS 2 -3.170 3.525 -2.853
9 HB2 CYS 3 HB2 CYS 2 -0.719 3.382 -3.309
10 HB3 CYS 3 HB3 CYS 2 -0.439 4.223 -1.782
11 HA PRO 4 HA PRO 3 -4.785 5.346 0.876
12 HB2 PRO 4 HB2 PRO 3 -5.949 3.079 1.874
13 HB3 PRO 4 HB3 PRO 3 -6.649 4.036 0.554
14 HG2 PRO 4 HG2 PRO 3 -5.097 1.499 0.438
15 HG3 PRO 4 HG3 PRO 3 -6.500 2.013 -0.517
16 HD2 PRO 4 HD2 PRO 3 -3.932 2.101 -1.469
17 HD3 PRO 4 HD3 PRO 3 -5.216 3.205 -2.015
18 H CYS 5 H CYS 4 -2.628 2.612 0.769
19 HA CYS 5 HA CYS 4 -2.193 2.486 3.622
20 HB2 CYS 5 HB2 CYS 4 -1.148 1.090 1.215
21 HB3 CYS 5 HB3 CYS 4 -0.096 1.137 2.633
22 H ILE 6 H ILE 5 -0.778 3.634 4.788
23 HA ILE 6 HA ILE 5 0.634 5.832 3.715
24 HB ILE 6 HB ILE 5 0.936 4.367 6.346
25 HG12 ILE 6 HG12 ILE 5 -0.329 7.047 5.710
26 HG13 ILE 6 HG13 ILE 5 -1.247 5.542 5.801
27 HG21 ILE 6 HG21 ILE 5 2.139 6.970 5.361
28 HG22 ILE 6 HG22 ILE 5 3.011 5.531 5.889
29 HG23 ILE 6 HG23 ILE 5 2.099 6.486 7.056
30 HD11 ILE 6 HD11 ILE 5 -1.201 6.913 7.944
31 HD12 ILE 6 HD12 ILE 5 0.517 6.532 8.056
32 HD13 ILE 6 HD13 ILE 5 -0.678 5.237 8.112
33 H TRP 7 H TRP 6 1.687 2.589 4.701
34 HA TRP 7 HA TRP 6 4.277 3.095 3.401
35 HB2 TRP 7 HB2 TRP 6 3.561 1.001 5.448
36 HB3 TRP 7 HB3 TRP 6 5.159 1.254 4.742
37 HD1 TRP 7 HD1 TRP 6 2.634 2.867 7.113
38 HE1 TRP 7 HE1 TRP 6 3.841 4.674 8.500
39 HE3 TRP 7 HE3 TRP 6 7.177 2.883 4.782
40 HZ2 TRP 7 HZ2 TRP 6 6.395 5.957 8.606
41 HZ3 TRP 7 HZ3 TRP 6 8.977 4.406 5.544
42 HH2 TRP 7 HH2 TRP 6 8.592 5.943 7.452
43 HA PRO 8 HA PRO 7 2.475 0.323 0.344
44 HB2 PRO 8 HB2 PRO 7 4.494 0.554 -1.473
45 HB3 PRO 8 HB3 PRO 7 3.249 1.800 -1.259
46 HG2 PRO 8 HG2 PRO 7 6.039 1.707 -0.201
47 HG3 PRO 8 HG3 PRO 7 5.140 3.068 -0.897
48 HD2 PRO 8 HD2 PRO 7 5.445 2.737 1.787
49 HD3 PRO 8 HD3 PRO 7 4.007 3.509 1.081
50 H GLU 9 H GLU 8 5.574 0.129 1.870
51 HA GLU 9 HA GLU 8 6.349 -2.428 0.853
52 HB2 GLU 9 HB2 GLU 8 8.112 -2.330 2.467
53 HB3 GLU 9 HB3 GLU 8 7.890 -0.687 1.870
54 HG2 GLU 9 HG2 GLU 8 6.337 -0.302 3.845
55 HG3 GLU 9 HG3 GLU 8 6.895 -1.850 4.478
56 H LEU 10 H LEU 9 4.146 -1.348 3.261
57 HA LEU 10 HA LEU 9 4.072 -3.997 4.541
58 HB2 LEU 10 HB2 LEU 9 2.703 -1.414 5.342
59 HB3 LEU 10 HB3 LEU 9 2.730 -2.913 6.274
60 HG LEU 10 HG LEU 9 5.174 -1.304 5.494
61 HD11 LEU 10 HD11 LEU 9 3.724 -0.220 7.211
62 HD12 LEU 10 HD12 LEU 9 5.297 -0.699 7.850
63 HD13 LEU 10 HD13 LEU 9 3.867 -1.671 8.201
64 HD21 LEU 10 HD21 LEU 9 6.228 -2.876 7.219
65 HD22 LEU 10 HD22 LEU 9 5.791 -3.609 5.676
66 HD23 LEU 10 HD23 LEU 9 4.759 -3.842 7.088
67 H CYS 11 H CYS 10 2.618 -2.341 2.044
68 HA CYS 11 HA CYS 10 0.184 -3.997 2.270
69 HB2 CYS 11 HB2 CYS 10 0.427 -1.139 1.313
70 HB3 CYS 11 HB3 CYS 10 -0.991 -2.142 1.035
71 HA PRO 12 HA PRO 11 2.527 -4.779 -1.691
72 HB2 PRO 12 HB2 PRO 11 2.591 -7.501 -1.418
73 HB3 PRO 12 HB3 PRO 11 3.840 -6.421 -0.767
74 HG2 PRO 12 HG2 PRO 11 1.559 -7.736 0.625
75 HG3 PRO 12 HG3 PRO 11 3.226 -7.479 1.176
76 HD2 PRO 12 HD2 PRO 11 1.138 -5.896 1.989
77 HD3 PRO 12 HD3 PRO 11 2.809 -5.300 1.861
78 H TRP 13 H TRP 12 -0.400 -5.924 -0.243
79 HA TRP 13 HA TRP 12 -1.410 -7.190 -2.647
80 HB2 TRP 13 HB2 TRP 12 -3.572 -7.232 -1.256
81 HB3 TRP 13 HB3 TRP 12 -2.209 -8.186 -0.668
82 HD1 TRP 13 HD1 TRP 12 -4.011 -4.856 -0.038
83 HE1 TRP 13 HE1 TRP 12 -3.498 -4.089 2.368
84 HE3 TRP 13 HE3 TRP 12 -0.608 -8.413 1.305
85 HZ2 TRP 13 HZ2 TRP 12 -1.857 -4.883 4.572
86 HZ3 TRP 13 HZ3 TRP 12 0.415 -8.385 3.562
87 HH2 TRP 13 HH2 TRP 12 -0.204 -6.625 5.196
88 H ILE 14 H ILE 13 -0.857 -4.073 -1.968
89 HA ILE 14 HA ILE 13 -3.343 -3.113 -3.240
90 HB ILE 14 HB ILE 13 -1.237 -1.524 -1.767
91 HG12 ILE 14 HG12 ILE 13 -2.499 -3.153 -0.338
92 HG13 ILE 14 HG13 ILE 13 -2.780 -1.473 0.098
93 HG21 ILE 14 HG21 ILE 13 -3.168 0.153 -1.734
94 HG22 ILE 14 HG22 ILE 13 -3.946 -0.873 -2.939
95 HG23 ILE 14 HG23 ILE 13 -2.401 -0.108 -3.299
96 HD11 ILE 14 HD11 ILE 13 -4.595 -3.054 -1.746
97 HD12 ILE 14 HD12 ILE 13 -4.895 -1.452 -1.081
98 HD13 ILE 14 HD13 ILE 13 -4.883 -2.860 -0.025
99 H ARG 15 H ARG 14 -3.179 -2.876 -5.366
100 HA ARG 15 HA ARG 14 -0.770 -2.874 -6.815
101 HB2 ARG 15 HB2 ARG 14 -2.124 -2.267 -8.740
102 HB3 ARG 15 HB3 ARG 14 -2.995 -3.452 -7.766
103 HG2 ARG 15 HG2 ARG 14 -4.215 -1.567 -6.656
104 HG3 ARG 15 HG3 ARG 14 -3.424 -0.452 -7.768
105 HD2 ARG 15 HD2 ARG 14 -5.622 -1.009 -8.645
106 HD3 ARG 15 HD3 ARG 14 -4.390 -1.726 -9.679
107 HE ARG 15 HE ARG 14 -5.183 -3.579 -7.674
108 HH11 ARG 15 HH11 ARG 14 -6.247 -2.034 -10.591
109 HH12 ARG 15 HH12 ARG 14 -7.277 -3.337 -11.064
110 HH21 ARG 15 HH21 ARG 14 -6.536 -5.294 -8.300
111 HH22 ARG 15 HH22 ARG 14 -7.443 -5.183 -9.771
112 H SER 16 H SER 15 -2.680 -0.263 -5.454
113 HA SER 16 HA SER 15 -1.471 1.887 -6.833
114 HB2 SER 16 HB2 SER 15 -2.773 1.769 -4.108
115 HB3 SER 16 HB3 SER 15 -2.293 3.260 -4.910
116 HG SER 16 HG SER 15 -4.085 3.122 -5.979
117 H CYS 17 H CYS 16 -0.586 0.127 -3.908
118 HA CYS 17 HA CYS 16 1.622 1.919 -3.315
119 HB2 CYS 17 HB2 CYS 16 0.404 -0.479 -2.045
120 HB3 CYS 17 HB3 CYS 16 2.079 -0.126 -1.672
121 HN1 NH2 18 HN1 NH2 102 1.155 -0.906 -5.271
122 HN2 NH2 18 HN2 NH2 102 2.803 -1.239 -5.542
Start of MODEL 2
1 H1 ACE 1 H1 ACE 0 -6.176 9.198 -6.818
2 H2 ACE 1 H2 ACE 0 -5.613 10.759 -6.222
3 H3 ACE 1 H3 ACE 0 -6.367 9.612 -5.115
4 H GLY 2 H1 GLY 1 -5.163 7.916 -4.280
5 HA2 GLY 2 HA2 GLY 1 -2.551 7.231 -5.252
6 HA3 GLY 2 HA3 GLY 1 -2.476 8.214 -3.793
7 H CYS 3 H CYS 2 -1.388 5.827 -3.522
8 HA CYS 3 HA CYS 2 -3.048 3.669 -2.934
9 HB2 CYS 3 HB2 CYS 2 -0.596 3.515 -3.246
10 HB3 CYS 3 HB3 CYS 2 -0.376 4.278 -1.671
11 HA PRO 4 HA PRO 3 -4.920 5.186 0.853
12 HB2 PRO 4 HB2 PRO 3 -5.927 2.770 1.726
13 HB3 PRO 4 HB3 PRO 3 -6.706 3.795 0.504
14 HG2 PRO 4 HG2 PRO 3 -5.053 1.350 0.157
15 HG3 PRO 4 HG3 PRO 3 -6.464 1.907 -0.759
16 HD2 PRO 4 HD2 PRO 3 -3.909 2.135 -1.665
17 HD3 PRO 4 HD3 PRO 3 -5.213 3.249 -2.129
18 H CYS 5 H CYS 4 -2.634 2.565 0.711
19 HA CYS 5 HA CYS 4 -2.216 2.460 3.576
20 HB2 CYS 5 HB2 CYS 4 -1.227 1.004 1.197
21 HB3 CYS 5 HB3 CYS 4 -0.106 1.120 2.556
22 H ILE 6 H ILE 5 -0.807 3.633 4.721
23 HA ILE 6 HA ILE 5 0.588 5.818 3.598
24 HB ILE 6 HB ILE 5 0.884 4.426 6.273
25 HG12 ILE 6 HG12 ILE 5 -0.409 7.070 5.550
26 HG13 ILE 6 HG13 ILE 5 -1.306 5.556 5.683
27 HG21 ILE 6 HG21 ILE 5 2.021 6.573 6.938
28 HG22 ILE 6 HG22 ILE 5 2.056 7.025 5.234
29 HG23 ILE 6 HG23 ILE 5 2.950 5.609 5.790
30 HD11 ILE 6 HD11 ILE 5 0.278 6.927 7.876
31 HD12 ILE 6 HD12 ILE 5 -0.424 5.317 8.028
32 HD13 ILE 6 HD13 ILE 5 -1.472 6.718 7.807
33 H TRP 7 H TRP 6 1.662 2.605 4.698
34 HA TRP 7 HA TRP 6 4.280 3.138 3.472
35 HB2 TRP 7 HB2 TRP 6 3.513 1.012 5.475
36 HB3 TRP 7 HB3 TRP 6 5.127 1.282 4.813
37 HD1 TRP 7 HD1 TRP 6 2.550 2.823 7.146
38 HE1 TRP 7 HE1 TRP 6 3.681 4.672 8.540
39 HE3 TRP 7 HE3 TRP 6 7.096 3.008 4.837
40 HZ2 TRP 7 HZ2 TRP 6 6.186 6.049 8.660
41 HZ3 TRP 7 HZ3 TRP 6 8.835 4.598 5.606
42 HH2 TRP 7 HH2 TRP 6 8.386 6.117 7.515
43 HA PRO 8 HA PRO 7 2.534 0.336 0.342
44 HB2 PRO 8 HB2 PRO 7 4.587 0.608 -1.463
45 HB3 PRO 8 HB3 PRO 7 3.275 1.789 -1.293
46 HG2 PRO 8 HG2 PRO 7 6.050 1.869 -0.210
47 HG3 PRO 8 HG3 PRO 7 5.068 3.171 -0.901
48 HD2 PRO 8 HD2 PRO 7 5.421 2.836 1.768
49 HD3 PRO 8 HD3 PRO 7 3.954 3.555 1.073
50 H GLU 9 H GLU 8 5.624 0.139 1.890
51 HA GLU 9 HA GLU 8 6.378 -2.413 0.848
52 HB2 GLU 9 HB2 GLU 8 8.134 -2.351 2.477
53 HB3 GLU 9 HB3 GLU 8 7.951 -0.716 1.844
54 HG2 GLU 9 HG2 GLU 8 6.426 -0.240 3.813
55 HG3 GLU 9 HG3 GLU 8 6.912 -1.803 4.465
56 H LEU 10 H LEU 9 4.172 -1.362 3.280
57 HA LEU 10 HA LEU 9 4.115 -4.034 4.517
58 HB2 LEU 10 HB2 LEU 9 2.742 -1.476 5.390
59 HB3 LEU 10 HB3 LEU 9 2.812 -2.988 6.296
60 HG LEU 10 HG LEU 9 5.202 -1.305 5.498
61 HD11 LEU 10 HD11 LEU 9 3.868 -0.246 7.257
62 HD12 LEU 10 HD12 LEU 9 5.382 -0.860 7.922
63 HD13 LEU 10 HD13 LEU 9 3.879 -1.745 8.187
64 HD21 LEU 10 HD21 LEU 9 4.913 -3.884 7.057
65 HD22 LEU 10 HD22 LEU 9 6.364 -2.886 7.126
66 HD23 LEU 10 HD23 LEU 9 5.865 -3.612 5.598
67 H CYS 11 H CYS 10 2.647 -2.388 2.026
68 HA CYS 11 HA CYS 10 0.206 -4.021 2.284
69 HB2 CYS 11 HB2 CYS 10 0.455 -1.159 1.343
70 HB3 CYS 11 HB3 CYS 10 -0.981 -2.150 1.090
71 HA PRO 12 HA PRO 11 2.485 -4.770 -1.719
72 HB2 PRO 12 HB2 PRO 11 2.577 -7.489 -1.480
73 HB3 PRO 12 HB3 PRO 11 3.826 -6.405 -0.832
74 HG2 PRO 12 HG2 PRO 11 1.574 -7.753 0.573
75 HG3 PRO 12 HG3 PRO 11 3.243 -7.483 1.106
76 HD2 PRO 12 HD2 PRO 11 1.141 -5.935 1.947
77 HD3 PRO 12 HD3 PRO 11 2.809 -5.331 1.829
78 H TRP 13 H TRP 12 -0.395 -5.911 -0.229
79 HA TRP 13 HA TRP 12 -1.483 -7.168 -2.597
80 HB2 TRP 13 HB2 TRP 12 -3.619 -7.175 -1.176
81 HB3 TRP 13 HB3 TRP 12 -2.262 -8.145 -0.608
82 HD1 TRP 13 HD1 TRP 12 -4.022 -4.807 0.057
83 HE1 TRP 13 HE1 TRP 12 -3.447 -4.035 2.443
84 HE3 TRP 13 HE3 TRP 12 -0.637 -8.396 1.338
85 HZ2 TRP 13 HZ2 TRP 12 -1.784 -4.849 4.624
86 HZ3 TRP 13 HZ3 TRP 12 0.425 -8.383 3.580
87 HH2 TRP 13 HH2 TRP 12 -0.145 -6.615 5.221
88 H ILE 14 H ILE 13 -0.888 -4.031 -1.951
89 HA ILE 14 HA ILE 13 -3.379 -3.070 -3.203
90 HB ILE 14 HB ILE 13 -1.251 -1.498 -1.735
91 HG12 ILE 14 HG12 ILE 13 -2.508 -3.087 -0.286
92 HG13 ILE 14 HG13 ILE 13 -2.786 -1.399 0.132
93 HG21 ILE 14 HG21 ILE 13 -3.140 0.208 -1.695
94 HG22 ILE 14 HG22 ILE 13 -3.950 -0.805 -2.889
95 HG23 ILE 14 HG23 ILE 13 -2.391 -0.074 -3.265
96 HD11 ILE 14 HD11 ILE 13 -4.925 -1.410 -1.053
97 HD12 ILE 14 HD12 ILE 13 -4.896 -2.765 0.073
98 HD13 ILE 14 HD13 ILE 13 -4.629 -3.045 -1.644
99 H ARG 15 H ARG 14 -3.222 -2.861 -5.317
100 HA ARG 15 HA ARG 14 -0.839 -2.881 -6.795
101 HB2 ARG 15 HB2 ARG 14 -2.208 -2.265 -8.701
102 HB3 ARG 15 HB3 ARG 14 -3.091 -3.422 -7.704
103 HG2 ARG 15 HG2 ARG 14 -4.229 -1.477 -6.585
104 HG3 ARG 15 HG3 ARG 14 -3.458 -0.417 -7.762
105 HD2 ARG 15 HD2 ARG 14 -5.663 -0.926 -8.582
106 HD3 ARG 15 HD3 ARG 14 -4.504 -1.797 -9.582
107 HE ARG 15 HE ARG 14 -5.317 -3.453 -7.444
108 HH11 ARG 15 HH11 ARG 14 -6.488 -2.009 -10.395
109 HH12 ARG 15 HH12 ARG 14 -7.635 -3.268 -10.703
110 HH21 ARG 15 HH21 ARG 14 -6.844 -5.093 -7.866
111 HH22 ARG 15 HH22 ARG 14 -7.837 -5.002 -9.283
112 H SER 16 H SER 15 -2.678 -0.236 -5.419
113 HA SER 16 HA SER 15 -1.448 1.886 -6.822
114 HB2 SER 16 HB2 SER 15 -2.730 1.806 -4.087
115 HB3 SER 16 HB3 SER 15 -2.225 3.282 -4.900
116 HG SER 16 HG SER 15 -3.755 2.988 -6.407
117 H CYS 17 H CYS 16 -0.585 0.154 -3.867
118 HA CYS 17 HA CYS 16 1.669 1.897 -3.301
119 HB2 CYS 17 HB2 CYS 16 0.415 -0.485 -2.033
120 HB3 CYS 17 HB3 CYS 16 2.093 -0.129 -1.643
121 HN1 NH2 18 HN1 NH2 102 1.146 -1.118 -5.044
122 HN2 NH2 18 HN2 NH2 102 2.785 -1.397 -5.405
Start of MODEL 3
1 H1 ACE 1 H1 ACE 0 -6.643 9.103 -5.864
2 H2 ACE 1 H2 ACE 0 -6.422 8.068 -7.275
3 H3 ACE 1 H3 ACE 0 -5.919 9.758 -7.332
4 H GLY 2 H1 GLY 1 -5.426 7.412 -4.716
5 HA2 GLY 2 HA2 GLY 1 -2.648 6.984 -5.365
6 HA3 GLY 2 HA3 GLY 1 -2.879 8.072 -3.996
7 H CYS 3 H CYS 2 -1.545 5.713 -3.623
8 HA CYS 3 HA CYS 2 -3.156 3.539 -2.871
9 HB2 CYS 3 HB2 CYS 2 -0.721 3.368 -3.281
10 HB3 CYS 3 HB3 CYS 2 -0.438 4.255 -1.779
11 HA PRO 4 HA PRO 3 -4.833 5.286 0.915
12 HB2 PRO 4 HB2 PRO 3 -5.969 3.021 1.936
13 HB3 PRO 4 HB3 PRO 3 -6.677 3.939 0.591
14 HG2 PRO 4 HG2 PRO 3 -5.035 1.450 0.525
15 HG3 PRO 4 HG3 PRO 3 -6.487 1.871 -0.405
16 HD2 PRO 4 HD2 PRO 3 -3.979 2.053 -1.452
17 HD3 PRO 4 HD3 PRO 3 -5.302 3.136 -1.944
18 H CYS 5 H CYS 4 -2.613 2.612 0.787
19 HA CYS 5 HA CYS 4 -2.134 2.512 3.640
20 HB2 CYS 5 HB2 CYS 4 -1.019 1.135 1.234
21 HB3 CYS 5 HB3 CYS 4 -0.083 1.128 2.730
22 H ILE 6 H ILE 5 -0.720 3.671 4.765
23 HA ILE 6 HA ILE 5 0.675 5.860 3.649
24 HB ILE 6 HB ILE 5 1.005 4.424 6.293
25 HG12 ILE 6 HG12 ILE 5 -0.269 7.096 5.651
26 HG13 ILE 6 HG13 ILE 5 -1.187 5.592 5.745
27 HG21 ILE 6 HG21 ILE 5 3.070 5.588 5.812
28 HG22 ILE 6 HG22 ILE 5 2.158 6.570 6.959
29 HG23 ILE 6 HG23 ILE 5 2.194 7.013 5.253
30 HD11 ILE 6 HD11 ILE 5 0.582 6.586 7.991
31 HD12 ILE 6 HD12 ILE 5 -0.597 5.277 8.052
32 HD13 ILE 6 HD13 ILE 5 -1.141 6.947 7.891
33 H TRP 7 H TRP 6 1.732 2.633 4.690
34 HA TRP 7 HA TRP 6 4.320 3.136 3.386
35 HB2 TRP 7 HB2 TRP 6 3.584 1.060 5.442
36 HB3 TRP 7 HB3 TRP 6 5.188 1.282 4.737
37 HD1 TRP 7 HD1 TRP 6 2.711 2.871 7.142
38 HE1 TRP 7 HE1 TRP 6 3.895 4.747 8.452
39 HE3 TRP 7 HE3 TRP 6 7.158 3.022 4.638
40 HZ2 TRP 7 HZ2 TRP 6 6.398 6.131 8.441
41 HZ3 TRP 7 HZ3 TRP 6 8.924 4.633 5.305
42 HH2 TRP 7 HH2 TRP 6 8.548 6.186 7.202
43 HA PRO 8 HA PRO 7 2.487 0.289 0.350
44 HB2 PRO 8 HB2 PRO 7 4.481 0.498 -1.517
45 HB3 PRO 8 HB3 PRO 7 3.205 1.710 -1.324
46 HG2 PRO 8 HG2 PRO 7 6.010 1.746 -0.323
47 HG3 PRO 8 HG3 PRO 7 5.043 3.050 -1.036
48 HD2 PRO 8 HD2 PRO 7 5.429 2.817 1.649
49 HD3 PRO 8 HD3 PRO 7 3.953 3.518 0.949
50 H GLU 9 H GLU 8 5.592 0.113 1.869
51 HA GLU 9 HA GLU 8 6.324 -2.477 0.899
52 HB2 GLU 9 HB2 GLU 8 8.079 -2.373 2.524
53 HB3 GLU 9 HB3 GLU 8 7.889 -0.747 1.874
54 HG2 GLU 9 HG2 GLU 8 6.369 -0.236 3.822
55 HG3 GLU 9 HG3 GLU 8 6.826 -1.797 4.502
56 H LEU 10 H LEU 9 4.099 -1.325 3.261
57 HA LEU 10 HA LEU 9 3.987 -3.937 4.611
58 HB2 LEU 10 HB2 LEU 9 2.616 -1.321 5.296
59 HB3 LEU 10 HB3 LEU 9 2.618 -2.786 6.283
60 HG LEU 10 HG LEU 9 5.084 -1.211 5.487
61 HD11 LEU 10 HD11 LEU 9 3.817 -1.490 8.223
62 HD12 LEU 10 HD12 LEU 9 3.538 -0.111 7.161
63 HD13 LEU 10 HD13 LEU 9 5.160 -0.443 7.766
64 HD21 LEU 10 HD21 LEU 9 5.698 -3.508 5.773
65 HD22 LEU 10 HD22 LEU 9 4.649 -3.684 7.179
66 HD23 LEU 10 HD23 LEU 9 6.115 -2.709 7.290
67 H CYS 11 H CYS 10 2.567 -2.362 2.026
68 HA CYS 11 HA CYS 10 0.153 -4.042 2.251
69 HB2 CYS 11 HB2 CYS 10 0.354 -1.190 1.270
70 HB3 CYS 11 HB3 CYS 10 -1.049 -2.216 0.999
71 HA PRO 12 HA PRO 11 2.565 -4.823 -1.680
72 HB2 PRO 12 HB2 PRO 11 2.660 -7.537 -1.387
73 HB3 PRO 12 HB3 PRO 11 3.871 -6.441 -0.687
74 HG2 PRO 12 HG2 PRO 11 1.516 -7.736 0.611
75 HG3 PRO 12 HG3 PRO 11 3.171 -7.531 1.222
76 HD2 PRO 12 HD2 PRO 11 1.130 -5.902 1.998
77 HD3 PRO 12 HD3 PRO 11 2.809 -5.328 1.863
78 H TRP 13 H TRP 12 -0.372 -5.909 -0.262
79 HA TRP 13 HA TRP 12 -1.379 -7.197 -2.656
80 HB2 TRP 13 HB2 TRP 12 -3.548 -7.238 -1.256
81 HB3 TRP 13 HB3 TRP 12 -2.194 -8.229 -0.717
82 HD1 TRP 13 HD1 TRP 12 -4.000 -4.944 0.081
83 HE1 TRP 13 HE1 TRP 12 -3.412 -4.248 2.491
84 HE3 TRP 13 HE3 TRP 12 -0.547 -8.529 1.206
85 HZ2 TRP 13 HZ2 TRP 12 -1.706 -5.110 4.620
86 HZ3 TRP 13 HZ3 TRP 12 0.537 -8.575 3.434
87 HH2 TRP 13 HH2 TRP 12 -0.039 -6.873 5.142
88 H ILE 14 H ILE 13 -0.844 -4.062 -2.021
89 HA ILE 14 HA ILE 13 -3.355 -3.150 -3.292
90 HB ILE 14 HB ILE 13 -1.309 -1.552 -1.750
91 HG12 ILE 14 HG12 ILE 13 -2.610 -3.195 -0.370
92 HG13 ILE 14 HG13 ILE 13 -2.856 -1.512 0.082
93 HG21 ILE 14 HG21 ILE 13 -3.255 0.115 -1.730
94 HG22 ILE 14 HG22 ILE 13 -3.957 -0.867 -3.013
95 HG23 ILE 14 HG23 ILE 13 -2.397 -0.088 -3.254
96 HD11 ILE 14 HD11 ILE 13 -4.990 -1.438 -0.992
97 HD12 ILE 14 HD12 ILE 13 -4.966 -2.946 -0.082
98 HD13 ILE 14 HD13 ILE 13 -4.713 -2.968 -1.820
99 H ARG 15 H ARG 14 -3.156 -2.883 -5.401
100 HA ARG 15 HA ARG 14 -0.743 -2.824 -6.825
101 HB2 ARG 15 HB2 ARG 14 -2.094 -2.233 -8.747
102 HB3 ARG 15 HB3 ARG 14 -2.963 -3.420 -7.773
103 HG2 ARG 15 HG2 ARG 14 -4.192 -1.544 -6.666
104 HG3 ARG 15 HG3 ARG 14 -3.403 -0.423 -7.774
105 HD2 ARG 15 HD2 ARG 14 -5.593 -0.988 -8.664
106 HD3 ARG 15 HD3 ARG 14 -4.352 -1.704 -9.690
107 HE ARG 15 HE ARG 14 -5.155 -3.542 -7.673
108 HH11 ARG 15 HH11 ARG 14 -6.191 -2.077 -10.664
109 HH12 ARG 15 HH12 ARG 14 -7.190 -3.413 -11.112
110 HH21 ARG 15 HH21 ARG 14 -6.481 -5.276 -8.287
111 HH22 ARG 15 HH22 ARG 14 -7.355 -5.209 -9.782
112 H SER 16 H SER 15 -2.675 -0.248 -5.440
113 HA SER 16 HA SER 15 -1.486 1.919 -6.810
114 HB2 SER 16 HB2 SER 15 -2.760 1.786 -4.074
115 HB3 SER 16 HB3 SER 15 -2.302 3.277 -4.886
116 HG SER 16 HG SER 15 -3.792 2.880 -6.452
117 H CYS 17 H CYS 16 -0.610 0.160 -3.888
118 HA CYS 17 HA CYS 16 1.625 1.913 -3.288
119 HB2 CYS 17 HB2 CYS 16 0.315 -0.439 -2.042
120 HB3 CYS 17 HB3 CYS 16 2.001 -0.165 -1.650
121 HN1 NH2 18 HN1 NH2 102 1.159 -0.643 -5.481
122 HN2 NH2 18 HN2 NH2 102 2.786 -1.120 -5.638
Start of MODEL 4
1 H1 ACE 1 H1 ACE 0 -6.689 9.355 -4.770
2 H2 ACE 1 H2 ACE 0 -6.083 10.742 -3.864
3 H3 ACE 1 H3 ACE 0 -6.955 9.457 -3.029
4 H GLY 2 H1 GLY 1 -5.146 7.944 -5.309
5 HA2 GLY 2 HA2 GLY 1 -3.028 6.988 -5.379
6 HA3 GLY 2 HA3 GLY 1 -2.577 7.950 -3.970
7 H CYS 3 H CYS 2 -1.585 5.688 -3.579
8 HA CYS 3 HA CYS 2 -3.158 3.522 -2.849
9 HB2 CYS 3 HB2 CYS 2 -0.727 3.392 -3.241
10 HB3 CYS 3 HB3 CYS 2 -0.466 4.237 -1.714
11 HA PRO 4 HA PRO 3 -4.922 5.136 0.937
12 HB2 PRO 4 HB2 PRO 3 -5.919 2.763 1.894
13 HB3 PRO 4 HB3 PRO 3 -6.698 3.715 0.614
14 HG2 PRO 4 HG2 PRO 3 -4.975 1.295 0.394
15 HG3 PRO 4 HG3 PRO 3 -6.431 1.736 -0.519
16 HD2 PRO 4 HD2 PRO 3 -3.925 2.025 -1.519
17 HD3 PRO 4 HD3 PRO 3 -5.268 3.094 -1.976
18 H CYS 5 H CYS 4 -2.567 2.590 0.782
19 HA CYS 5 HA CYS 4 -2.111 2.534 3.649
20 HB2 CYS 5 HB2 CYS 4 -0.979 1.097 1.279
21 HB3 CYS 5 HB3 CYS 4 -0.083 1.103 2.798
22 H ILE 6 H ILE 5 -0.688 3.748 4.729
23 HA ILE 6 HA ILE 5 0.694 5.897 3.511
24 HB ILE 6 HB ILE 5 1.024 4.596 6.224
25 HG12 ILE 6 HG12 ILE 5 -0.271 7.218 5.435
26 HG13 ILE 6 HG13 ILE 5 -1.173 5.711 5.620
27 HG21 ILE 6 HG21 ILE 5 2.154 6.796 6.778
28 HG22 ILE 6 HG22 ILE 5 2.211 7.124 5.046
29 HG23 ILE 6 HG23 ILE 5 3.084 5.744 5.712
30 HD11 ILE 6 HD11 ILE 5 -1.196 7.123 7.689
31 HD12 ILE 6 HD12 ILE 5 0.556 6.944 7.784
32 HD13 ILE 6 HD13 ILE 5 -0.485 5.530 7.947
33 H TRP 7 H TRP 6 1.763 2.705 4.672
34 HA TRP 7 HA TRP 6 4.362 3.180 3.411
35 HB2 TRP 7 HB2 TRP 6 3.619 1.136 5.479
36 HB3 TRP 7 HB3 TRP 6 5.226 1.353 4.773
37 HD1 TRP 7 HD1 TRP 6 2.710 3.043 7.090
38 HE1 TRP 7 HE1 TRP 6 3.915 4.899 8.413
39 HE3 TRP 7 HE3 TRP 6 7.241 2.996 4.742
40 HZ2 TRP 7 HZ2 TRP 6 6.465 6.193 8.467
41 HZ3 TRP 7 HZ3 TRP 6 9.041 4.549 5.447
42 HH2 TRP 7 HH2 TRP 6 8.659 6.145 7.306
43 HA PRO 8 HA PRO 7 2.525 0.356 0.360
44 HB2 PRO 8 HB2 PRO 7 4.567 0.568 -1.464
45 HB3 PRO 8 HB3 PRO 7 3.268 1.768 -1.309
46 HG2 PRO 8 HG2 PRO 7 6.052 1.834 -0.239
47 HG3 PRO 8 HG3 PRO 7 5.084 3.134 -0.955
48 HD2 PRO 8 HD2 PRO 7 5.437 2.866 1.715
49 HD3 PRO 8 HD3 PRO 7 3.960 3.566 1.015
50 H GLU 9 H GLU 8 5.572 0.117 1.950
51 HA GLU 9 HA GLU 8 6.308 -2.455 0.910
52 HB2 GLU 9 HB2 GLU 8 8.056 -2.407 2.551
53 HB3 GLU 9 HB3 GLU 8 7.912 -0.779 1.894
54 HG2 GLU 9 HG2 GLU 8 6.381 -0.244 3.846
55 HG3 GLU 9 HG3 GLU 8 6.840 -1.803 4.531
56 H LEU 10 H LEU 9 4.051 -1.359 3.246
57 HA LEU 10 HA LEU 9 3.984 -3.986 4.573
58 HB2 LEU 10 HB2 LEU 9 2.590 -1.404 5.334
59 HB3 LEU 10 HB3 LEU 9 2.645 -2.890 6.287
60 HG LEU 10 HG LEU 9 5.071 -1.267 5.472
61 HD11 LEU 10 HD11 LEU 9 3.519 -0.201 7.169
62 HD12 LEU 10 HD12 LEU 9 5.161 -0.496 7.741
63 HD13 LEU 10 HD13 LEU 9 3.850 -1.575 8.223
64 HD21 LEU 10 HD21 LEU 9 6.148 -2.763 7.231
65 HD22 LEU 10 HD22 LEU 9 5.680 -3.578 5.740
66 HD23 LEU 10 HD23 LEU 9 4.679 -3.736 7.181
67 H CYS 11 H CYS 10 2.549 -2.368 2.031
68 HA CYS 11 HA CYS 10 0.123 -4.023 2.260
69 HB2 CYS 11 HB2 CYS 10 0.377 -1.161 1.327
70 HB3 CYS 11 HB3 CYS 10 -1.024 -2.164 0.980
71 HA PRO 12 HA PRO 11 2.497 -4.805 -1.676
72 HB2 PRO 12 HB2 PRO 11 2.592 -7.521 -1.409
73 HB3 PRO 12 HB3 PRO 11 3.823 -6.429 -0.739
74 HG2 PRO 12 HG2 PRO 11 1.536 -7.770 0.621
75 HG3 PRO 12 HG3 PRO 11 3.194 -7.494 1.195
76 HD2 PRO 12 HD2 PRO 11 1.070 -5.942 1.974
77 HD3 PRO 12 HD3 PRO 11 2.741 -5.334 1.885
78 H TRP 13 H TRP 12 -0.411 -5.942 -0.239
79 HA TRP 13 HA TRP 12 -1.439 -7.229 -2.616
80 HB2 TRP 13 HB2 TRP 12 -3.589 -7.271 -1.236
81 HB3 TRP 13 HB3 TRP 12 -2.219 -8.190 -0.612
82 HD1 TRP 13 HD1 TRP 12 -4.030 -4.846 -0.100
83 HE1 TRP 13 HE1 TRP 12 -3.554 -4.011 2.288
84 HE3 TRP 13 HE3 TRP 12 -0.688 -8.390 1.407
85 HZ2 TRP 13 HZ2 TRP 12 -1.970 -4.759 4.549
86 HZ3 TRP 13 HZ3 TRP 12 0.287 -8.310 3.686
87 HH2 TRP 13 HH2 TRP 12 -0.349 -6.501 5.256
88 H ILE 14 H ILE 13 -0.840 -4.111 -2.055
89 HA ILE 14 HA ILE 13 -3.335 -3.159 -3.306
90 HB ILE 14 HB ILE 13 -1.226 -1.571 -1.843
91 HG12 ILE 14 HG12 ILE 13 -2.452 -3.130 -0.374
92 HG13 ILE 14 HG13 ILE 13 -2.818 -1.450 -0.004
93 HG21 ILE 14 HG21 ILE 13 -2.390 -0.174 -3.416
94 HG22 ILE 14 HG22 ILE 13 -3.110 0.134 -1.841
95 HG23 ILE 14 HG23 ILE 13 -3.935 -0.904 -2.999
96 HD11 ILE 14 HD11 ILE 13 -4.877 -2.839 -0.063
97 HD12 ILE 14 HD12 ILE 13 -4.537 -3.282 -1.723
98 HD13 ILE 14 HD13 ILE 13 -4.909 -1.609 -1.315
99 H ARG 15 H ARG 14 -3.231 -2.713 -5.392
100 HA ARG 15 HA ARG 14 -0.819 -2.818 -6.879
101 HB2 ARG 15 HB2 ARG 14 -2.173 -2.205 -8.781
102 HB3 ARG 15 HB3 ARG 14 -3.106 -3.318 -7.780
103 HG2 ARG 15 HG2 ARG 14 -4.231 -1.366 -6.720
104 HG3 ARG 15 HG3 ARG 14 -3.356 -0.294 -7.809
105 HD2 ARG 15 HD2 ARG 14 -5.251 -2.491 -8.656
106 HD3 ARG 15 HD3 ARG 14 -5.612 -0.768 -8.658
107 HE ARG 15 HE ARG 14 -3.312 -1.075 -10.177
108 HH11 ARG 15 HH11 ARG 14 -6.602 -2.205 -10.202
109 HH12 ARG 15 HH12 ARG 14 -6.676 -2.344 -11.919
110 HH21 ARG 15 HH21 ARG 14 -3.425 -1.265 -12.443
111 HH22 ARG 15 HH22 ARG 14 -4.888 -1.815 -13.188
112 H SER 16 H SER 15 -2.648 -0.193 -5.446
113 HA SER 16 HA SER 15 -1.416 1.950 -6.816
114 HB2 SER 16 HB2 SER 15 -2.686 1.837 -4.076
115 HB3 SER 16 HB3 SER 15 -2.207 3.321 -4.892
116 HG SER 16 HG SER 15 -3.614 2.703 -6.610
117 H CYS 17 H CYS 16 -0.592 0.221 -3.847
118 HA CYS 17 HA CYS 16 1.671 1.928 -3.272
119 HB2 CYS 17 HB2 CYS 16 0.402 -0.445 -2.013
120 HB3 CYS 17 HB3 CYS 16 2.076 -0.119 -1.627
121 HN1 NH2 18 HN1 NH2 102 1.138 -0.984 -5.133
122 HN2 NH2 18 HN2 NH2 102 2.782 -1.311 -5.443
Start of MODEL 5
1 H1 ACE 1 H1 ACE 0 -5.968 10.124 -4.913
2 H2 ACE 1 H2 ACE 0 -5.828 10.783 -3.283
3 H3 ACE 1 H3 ACE 0 -6.739 9.299 -3.559
4 H GLY 2 H1 GLY 1 -4.908 8.068 -5.357
5 HA2 GLY 2 HA2 GLY 1 -2.863 6.978 -5.470
6 HA3 GLY 2 HA3 GLY 1 -2.314 7.917 -4.084
7 H CYS 3 H CYS 2 -1.436 5.656 -3.635
8 HA CYS 3 HA CYS 2 -3.126 3.556 -2.889
9 HB2 CYS 3 HB2 CYS 2 -0.641 3.405 -3.278
10 HB3 CYS 3 HB3 CYS 2 -0.426 4.119 -1.677
11 HA PRO 4 HA PRO 3 -4.811 5.316 0.880
12 HB2 PRO 4 HB2 PRO 3 -5.932 3.031 1.913
13 HB3 PRO 4 HB3 PRO 3 -6.670 3.993 0.616
14 HG2 PRO 4 HG2 PRO 3 -5.096 1.471 0.443
15 HG3 PRO 4 HG3 PRO 3 -6.534 1.973 -0.463
16 HD2 PRO 4 HD2 PRO 3 -4.019 2.094 -1.522
17 HD3 PRO 4 HD3 PRO 3 -5.310 3.229 -1.982
18 H CYS 5 H CYS 4 -2.691 2.538 0.824
19 HA CYS 5 HA CYS 4 -2.189 2.516 3.664
20 HB2 CYS 5 HB2 CYS 4 -1.129 1.062 1.283
21 HB3 CYS 5 HB3 CYS 4 -0.169 1.071 2.763
22 H ILE 6 H ILE 5 -0.753 3.671 4.763
23 HA ILE 6 HA ILE 5 0.683 5.804 3.600
24 HB ILE 6 HB ILE 5 0.979 4.439 6.283
25 HG12 ILE 6 HG12 ILE 5 -0.243 7.111 5.540
26 HG13 ILE 6 HG13 ILE 5 -1.185 5.627 5.697
27 HG21 ILE 6 HG21 ILE 5 2.159 6.617 6.870
28 HG22 ILE 6 HG22 ILE 5 2.252 6.939 5.139
29 HG23 ILE 6 HG23 ILE 5 3.070 5.532 5.819
30 HD11 ILE 6 HD11 ILE 5 -1.336 6.714 7.818
31 HD12 ILE 6 HD12 ILE 5 0.395 7.053 7.845
32 HD13 ILE 6 HD13 ILE 5 -0.183 5.397 8.036
33 H TRP 7 H TRP 6 1.690 2.572 4.694
34 HA TRP 7 HA TRP 6 4.301 3.046 3.422
35 HB2 TRP 7 HB2 TRP 6 3.511 0.949 5.440
36 HB3 TRP 7 HB3 TRP 6 5.130 1.174 4.768
37 HD1 TRP 7 HD1 TRP 6 2.592 2.791 7.103
38 HE1 TRP 7 HE1 TRP 6 3.772 4.610 8.496
39 HE3 TRP 7 HE3 TRP 6 7.161 2.845 4.805
40 HZ2 TRP 7 HZ2 TRP 6 6.310 5.911 8.624
41 HZ3 TRP 7 HZ3 TRP 6 8.938 4.389 5.587
42 HH2 TRP 7 HH2 TRP 6 8.518 5.921 7.491
43 HA PRO 8 HA PRO 7 2.505 0.273 0.324
44 HB2 PRO 8 HB2 PRO 7 4.504 0.494 -1.518
45 HB3 PRO 8 HB3 PRO 7 3.258 1.737 -1.298
46 HG2 PRO 8 HG2 PRO 7 6.054 1.659 -0.252
47 HG3 PRO 8 HG3 PRO 7 5.156 3.006 -0.977
48 HD2 PRO 8 HD2 PRO 7 5.451 2.753 1.712
49 HD3 PRO 8 HD3 PRO 7 4.000 3.476 0.979
50 H GLU 9 H GLU 8 5.589 0.078 1.882
51 HA GLU 9 HA GLU 8 6.342 -2.503 0.908
52 HB2 GLU 9 HB2 GLU 8 8.057 -2.413 2.583
53 HB3 GLU 9 HB3 GLU 8 7.888 -0.789 1.921
54 HG2 GLU 9 HG2 GLU 8 6.323 -0.263 3.825
55 HG3 GLU 9 HG3 GLU 8 6.744 -1.824 4.525
56 H LEU 10 H LEU 9 4.142 -1.350 3.315
57 HA LEU 10 HA LEU 9 3.986 -3.972 4.625
58 HB2 LEU 10 HB2 LEU 9 2.566 -1.377 5.281
59 HB3 LEU 10 HB3 LEU 9 2.564 -2.846 6.262
60 HG LEU 10 HG LEU 9 5.024 -1.227 5.539
61 HD11 LEU 10 HD11 LEU 9 3.722 -1.568 8.248
62 HD12 LEU 10 HD12 LEU 9 3.384 -0.197 7.191
63 HD13 LEU 10 HD13 LEU 9 5.016 -0.455 7.806
64 HD21 LEU 10 HD21 LEU 9 6.041 -2.722 7.343
65 HD22 LEU 10 HD22 LEU 9 5.663 -3.522 5.818
66 HD23 LEU 10 HD23 LEU 9 4.593 -3.719 7.207
67 H CYS 11 H CYS 10 2.460 -2.132 2.182
68 HA CYS 11 HA CYS 10 0.130 -3.963 2.266
69 HB2 CYS 11 HB2 CYS 10 0.294 -1.072 1.406
70 HB3 CYS 11 HB3 CYS 10 -1.068 -2.118 1.015
71 HA PRO 12 HA PRO 11 2.582 -4.552 -1.684
72 HB2 PRO 12 HB2 PRO 11 2.846 -7.258 -1.434
73 HB3 PRO 12 HB3 PRO 11 3.992 -6.104 -0.716
74 HG2 PRO 12 HG2 PRO 11 1.720 -7.557 0.564
75 HG3 PRO 12 HG3 PRO 11 3.364 -7.276 1.171
76 HD2 PRO 12 HD2 PRO 11 1.247 -5.773 1.990
77 HD3 PRO 12 HD3 PRO 11 2.891 -5.108 1.848
78 H TRP 13 H TRP 12 -0.270 -5.821 -0.239
79 HA TRP 13 HA TRP 12 -1.239 -7.167 -2.609
80 HB2 TRP 13 HB2 TRP 12 -3.395 -7.282 -1.204
81 HB3 TRP 13 HB3 TRP 12 -1.994 -8.182 -0.624
82 HD1 TRP 13 HD1 TRP 12 -3.932 -4.935 0.025
83 HE1 TRP 13 HE1 TRP 12 -3.417 -4.140 2.421
84 HE3 TRP 13 HE3 TRP 12 -0.406 -8.375 1.347
85 HZ2 TRP 13 HZ2 TRP 12 -1.734 -4.875 4.614
86 HZ3 TRP 13 HZ3 TRP 12 0.630 -8.313 3.598
87 HH2 TRP 13 HH2 TRP 12 -0.030 -6.570 5.233
88 H ILE 14 H ILE 13 -0.827 -4.001 -2.017
89 HA ILE 14 HA ILE 13 -3.379 -3.193 -3.274
90 HB ILE 14 HB ILE 13 -1.341 -1.506 -1.824
91 HG12 ILE 14 HG12 ILE 13 -2.587 -3.131 -0.374
92 HG13 ILE 14 HG13 ILE 13 -2.852 -1.440 0.036
93 HG21 ILE 14 HG21 ILE 13 -3.305 0.131 -1.829
94 HG22 ILE 14 HG22 ILE 13 -4.026 -0.912 -3.055
95 HG23 ILE 14 HG23 ILE 13 -2.482 -0.122 -3.365
96 HD11 ILE 14 HD11 ILE 13 -5.003 -1.428 -1.013
97 HD12 ILE 14 HD12 ILE 13 -4.943 -2.899 -0.042
98 HD13 ILE 14 HD13 ILE 13 -4.719 -2.986 -1.784
99 H ARG 15 H ARG 14 -3.262 -2.876 -5.386
100 HA ARG 15 HA ARG 14 -0.910 -2.866 -6.901
101 HB2 ARG 15 HB2 ARG 14 -2.314 -2.238 -8.765
102 HB3 ARG 15 HB3 ARG 14 -3.214 -3.361 -7.747
103 HG2 ARG 15 HG2 ARG 14 -4.339 -1.438 -6.651
104 HG3 ARG 15 HG3 ARG 14 -3.479 -0.337 -7.723
105 HD2 ARG 15 HD2 ARG 14 -5.322 -2.543 -8.664
106 HD3 ARG 15 HD3 ARG 14 -5.786 -0.851 -8.509
107 HE ARG 15 HE ARG 14 -3.484 -0.949 -10.093
108 HH11 ARG 15 HH11 ARG 14 -6.798 -2.023 -10.179
109 HH12 ARG 15 HH12 ARG 14 -6.907 -1.943 -11.902
110 HH21 ARG 15 HH21 ARG 14 -3.655 -0.853 -12.349
111 HH22 ARG 15 HH22 ARG 14 -5.142 -1.286 -13.124
112 H SER 16 H SER 15 -2.711 -0.243 -5.425
113 HA SER 16 HA SER 15 -1.468 1.884 -6.811
114 HB2 SER 16 HB2 SER 15 -2.757 1.799 -4.083
115 HB3 SER 16 HB3 SER 15 -2.242 3.273 -4.890
116 HG SER 16 HG SER 15 -4.179 3.154 -5.719
117 H CYS 17 H CYS 16 -0.630 0.117 -3.874
118 HA CYS 17 HA CYS 16 1.616 1.837 -3.248
119 HB2 CYS 17 HB2 CYS 16 0.403 -0.630 -2.088
120 HB3 CYS 17 HB3 CYS 16 2.050 -0.220 -1.646
121 HN1 NH2 18 HN1 NH2 102 1.121 -0.901 -5.313
122 HN2 NH2 18 HN2 NH2 102 2.764 -1.246 -5.593
Start of MODEL 6
1 H1 ACE 1 H1 ACE 0 -7.222 9.310 -3.653
2 H2 ACE 1 H2 ACE 0 -7.021 8.626 -5.267
3 H3 ACE 1 H3 ACE 0 -6.418 10.245 -4.912
4 H GLY 2 H1 GLY 1 -5.162 7.550 -5.753
5 HA2 GLY 2 HA2 GLY 1 -2.966 6.811 -5.563
6 HA3 GLY 2 HA3 GLY 1 -2.753 7.881 -4.177
7 H CYS 3 H CYS 2 -1.602 5.677 -3.663
8 HA CYS 3 HA CYS 2 -3.167 3.483 -2.872
9 HB2 CYS 3 HB2 CYS 2 -0.747 3.320 -3.298
10 HB3 CYS 3 HB3 CYS 2 -0.451 4.267 -1.835
11 HA PRO 4 HA PRO 3 -4.832 5.270 0.893
12 HB2 PRO 4 HB2 PRO 3 -6.009 3.032 1.911
13 HB3 PRO 4 HB3 PRO 3 -6.689 3.947 0.551
14 HG2 PRO 4 HG2 PRO 3 -5.089 1.431 0.529
15 HG3 PRO 4 HG3 PRO 3 -6.520 1.870 -0.427
16 HD2 PRO 4 HD2 PRO 3 -3.980 1.999 -1.425
17 HD3 PRO 4 HD3 PRO 3 -5.287 3.078 -1.972
18 H CYS 5 H CYS 4 -2.598 2.631 0.752
19 HA CYS 5 HA CYS 4 -2.148 2.496 3.616
20 HB2 CYS 5 HB2 CYS 4 -1.125 1.087 1.204
21 HB3 CYS 5 HB3 CYS 4 -0.080 1.128 2.627
22 H ILE 6 H ILE 5 -0.752 3.694 4.737
23 HA ILE 6 HA ILE 5 0.684 5.842 3.601
24 HB ILE 6 HB ILE 5 0.951 4.459 6.276
25 HG12 ILE 6 HG12 ILE 5 -0.254 7.138 5.550
26 HG13 ILE 6 HG13 ILE 5 -1.202 5.653 5.652
27 HG21 ILE 6 HG21 ILE 5 2.198 7.020 5.230
28 HG22 ILE 6 HG22 ILE 5 3.054 5.581 5.787
29 HG23 ILE 6 HG23 ILE 5 2.150 6.570 6.933
30 HD11 ILE 6 HD11 ILE 5 -0.711 5.390 7.978
31 HD12 ILE 6 HD12 ILE 5 -1.156 7.083 7.766
32 HD13 ILE 6 HD13 ILE 5 0.540 6.631 7.925
33 H TRP 7 H TRP 6 1.732 2.634 4.728
34 HA TRP 7 HA TRP 6 4.335 3.128 3.460
35 HB2 TRP 7 HB2 TRP 6 3.560 1.058 5.505
36 HB3 TRP 7 HB3 TRP 6 5.174 1.251 4.808
37 HD1 TRP 7 HD1 TRP 6 2.688 2.927 7.160
38 HE1 TRP 7 HE1 TRP 6 3.906 4.769 8.489
39 HE3 TRP 7 HE3 TRP 6 7.202 2.909 4.767
40 HZ2 TRP 7 HZ2 TRP 6 6.454 6.063 8.534
41 HZ3 TRP 7 HZ3 TRP 6 9.004 4.461 5.471
42 HH2 TRP 7 HH2 TRP 6 8.635 6.037 7.350
43 HA PRO 8 HA PRO 7 2.516 0.346 0.367
44 HB2 PRO 8 HB2 PRO 7 4.529 0.587 -1.480
45 HB3 PRO 8 HB3 PRO 7 3.234 1.780 -1.293
46 HG2 PRO 8 HG2 PRO 7 6.028 1.850 -0.268
47 HG3 PRO 8 HG3 PRO 7 5.040 3.147 -0.965
48 HD2 PRO 8 HD2 PRO 7 5.423 2.881 1.718
49 HD3 PRO 8 HD3 PRO 7 3.935 3.566 1.024
50 H GLU 9 H GLU 8 5.594 0.136 1.916
51 HA GLU 9 HA GLU 8 6.340 -2.427 0.877
52 HB2 GLU 9 HB2 GLU 8 8.085 -2.365 2.520
53 HB3 GLU 9 HB3 GLU 8 7.909 -0.735 1.880
54 HG2 GLU 9 HG2 GLU 8 6.403 -0.209 3.823
55 HG3 GLU 9 HG3 GLU 8 6.806 -1.790 4.490
56 H LEU 10 H LEU 9 4.113 -1.350 3.280
57 HA LEU 10 HA LEU 9 4.030 -4.007 4.551
58 HB2 LEU 10 HB2 LEU 9 2.619 -1.445 5.345
59 HB3 LEU 10 HB3 LEU 9 2.700 -2.939 6.286
60 HG LEU 10 HG LEU 9 5.081 -1.253 5.476
61 HD11 LEU 10 HD11 LEU 9 5.220 -0.654 7.833
62 HD12 LEU 10 HD12 LEU 9 3.812 -1.654 8.193
63 HD13 LEU 10 HD13 LEU 9 3.635 -0.206 7.202
64 HD21 LEU 10 HD21 LEU 9 6.228 -2.776 7.176
65 HD22 LEU 10 HD22 LEU 9 5.779 -3.539 5.651
66 HD23 LEU 10 HD23 LEU 9 4.793 -3.797 7.090
67 H CYS 11 H CYS 10 2.580 -2.384 2.027
68 HA CYS 11 HA CYS 10 0.154 -4.050 2.256
69 HB2 CYS 11 HB2 CYS 10 0.373 -1.199 1.276
70 HB3 CYS 11 HB3 CYS 10 -1.044 -2.208 1.053
71 HA PRO 12 HA PRO 11 2.501 -4.769 -1.729
72 HB2 PRO 12 HB2 PRO 11 2.654 -7.489 -1.471
73 HB3 PRO 12 HB3 PRO 11 3.872 -6.377 -0.810
74 HG2 PRO 12 HG2 PRO 11 1.615 -7.751 0.571
75 HG3 PRO 12 HG3 PRO 11 3.281 -7.480 1.121
76 HD2 PRO 12 HD2 PRO 11 1.187 -5.937 1.967
77 HD3 PRO 12 HD3 PRO 11 2.845 -5.310 1.815
78 H TRP 13 H TRP 12 -0.355 -5.898 -0.202
79 HA TRP 13 HA TRP 12 -1.470 -7.216 -2.515
80 HB2 TRP 13 HB2 TRP 12 -3.577 -7.196 -1.049
81 HB3 TRP 13 HB3 TRP 12 -2.202 -8.135 -0.470
82 HD1 TRP 13 HD1 TRP 12 -3.937 -4.751 0.080
83 HE1 TRP 13 HE1 TRP 12 -3.351 -3.905 2.442
84 HE3 TRP 13 HE3 TRP 12 -0.641 -8.372 1.514
85 HZ2 TRP 13 HZ2 TRP 12 -1.710 -4.673 4.654
86 HZ3 TRP 13 HZ3 TRP 12 0.409 -8.300 3.758
87 HH2 TRP 13 HH2 TRP 12 -0.120 -6.455 5.329
88 H ILE 14 H ILE 13 -0.817 -4.096 -2.082
89 HA ILE 14 HA ILE 13 -3.353 -3.151 -3.280
90 HB ILE 14 HB ILE 13 -1.230 -1.554 -1.863
91 HG12 ILE 14 HG12 ILE 13 -2.415 -3.062 -0.336
92 HG13 ILE 14 HG13 ILE 13 -2.810 -1.383 -0.014
93 HG21 ILE 14 HG21 ILE 13 -3.058 0.180 -1.853
94 HG22 ILE 14 HG22 ILE 13 -3.949 -0.853 -2.967
95 HG23 ILE 14 HG23 ILE 13 -2.397 -0.175 -3.445
96 HD11 ILE 14 HD11 ILE 13 -4.913 -1.641 -1.315
97 HD12 ILE 14 HD12 ILE 13 -4.842 -2.772 0.031
98 HD13 ILE 14 HD13 ILE 13 -4.516 -3.335 -1.602
99 H ARG 15 H ARG 14 -3.254 -2.700 -5.376
100 HA ARG 15 HA ARG 14 -0.855 -2.826 -6.872
101 HB2 ARG 15 HB2 ARG 14 -2.224 -2.179 -8.763
102 HB3 ARG 15 HB3 ARG 14 -3.137 -3.311 -7.764
103 HG2 ARG 15 HG2 ARG 14 -4.249 -1.375 -6.650
104 HG3 ARG 15 HG3 ARG 14 -3.408 -0.295 -7.758
105 HD2 ARG 15 HD2 ARG 14 -5.656 -0.748 -8.595
106 HD3 ARG 15 HD3 ARG 14 -4.454 -1.449 -9.674
107 HE ARG 15 HE ARG 14 -5.295 -3.337 -7.706
108 HH11 ARG 15 HH11 ARG 14 -6.246 -1.765 -10.668
109 HH12 ARG 15 HH12 ARG 14 -7.262 -3.064 -11.175
110 HH21 ARG 15 HH21 ARG 14 -6.637 -5.029 -8.398
111 HH22 ARG 15 HH22 ARG 14 -7.485 -4.900 -9.903
112 H SER 16 H SER 15 -2.655 -0.177 -5.446
113 HA SER 16 HA SER 15 -1.400 1.945 -6.827
114 HB2 SER 16 HB2 SER 15 -2.706 1.834 -4.111
115 HB3 SER 16 HB3 SER 15 -2.176 3.322 -4.888
116 HG SER 16 HG SER 15 -4.468 2.391 -5.180
117 H CYS 17 H CYS 16 -0.594 0.244 -3.841
118 HA CYS 17 HA CYS 16 1.678 1.940 -3.272
119 HB2 CYS 17 HB2 CYS 16 0.351 -0.391 -2.004
120 HB3 CYS 17 HB3 CYS 16 2.033 -0.121 -1.613
121 HN1 NH2 18 HN1 NH2 102 1.130 -0.832 -5.263
122 HN2 NH2 18 HN2 NH2 102 2.765 -1.253 -5.496
Start of MODEL 7
1 H1 ACE 1 H1 ACE 0 -6.359 9.920 -4.559
2 H2 ACE 1 H2 ACE 0 -6.510 9.322 -6.211
3 H3 ACE 1 H3 ACE 0 -5.751 10.884 -5.903
4 H GLY 2 H1 GLY 1 -5.321 7.757 -4.260
5 HA2 GLY 2 HA2 GLY 1 -2.892 7.010 -5.444
6 HA3 GLY 2 HA3 GLY 1 -2.518 7.998 -4.035
7 H CYS 3 H CYS 2 -1.501 5.732 -3.620
8 HA CYS 3 HA CYS 2 -3.122 3.571 -2.905
9 HB2 CYS 3 HB2 CYS 2 -0.673 3.418 -3.274
10 HB3 CYS 3 HB3 CYS 2 -0.420 4.271 -1.750
11 HA PRO 4 HA PRO 3 -4.871 5.243 0.876
12 HB2 PRO 4 HB2 PRO 3 -5.991 2.929 1.825
13 HB3 PRO 4 HB3 PRO 3 -6.696 3.896 0.515
14 HG2 PRO 4 HG2 PRO 3 -5.077 1.403 0.367
15 HG3 PRO 4 HG3 PRO 3 -6.487 1.894 -0.584
16 HD2 PRO 4 HD2 PRO 3 -3.941 2.057 -1.513
17 HD3 PRO 4 HD3 PRO 3 -5.241 3.148 -2.040
18 H CYS 5 H CYS 4 -2.609 2.618 0.741
19 HA CYS 5 HA CYS 4 -2.191 2.496 3.610
20 HB2 CYS 5 HB2 CYS 4 -1.176 1.059 1.223
21 HB3 CYS 5 HB3 CYS 4 -0.101 1.134 2.620
22 H ILE 6 H ILE 5 -0.764 3.649 4.749
23 HA ILE 6 HA ILE 5 0.641 5.824 3.631
24 HB ILE 6 HB ILE 5 0.942 4.413 6.294
25 HG12 ILE 6 HG12 ILE 5 -0.324 7.077 5.596
26 HG13 ILE 6 HG13 ILE 5 -1.239 5.573 5.719
27 HG21 ILE 6 HG21 ILE 5 2.158 6.982 5.235
28 HG22 ILE 6 HG22 ILE 5 3.017 5.567 5.840
29 HG23 ILE 6 HG23 ILE 5 2.088 6.575 6.950
30 HD11 ILE 6 HD11 ILE 5 -1.295 6.870 7.842
31 HD12 ILE 6 HD12 ILE 5 0.462 6.751 7.939
32 HD13 ILE 6 HD13 ILE 5 -0.528 5.295 8.046
33 H TRP 7 H TRP 6 1.720 2.611 4.733
34 HA TRP 7 HA TRP 6 4.317 3.151 3.456
35 HB2 TRP 7 HB2 TRP 6 3.586 1.047 5.510
36 HB3 TRP 7 HB3 TRP 6 5.184 1.293 4.802
37 HD1 TRP 7 HD1 TRP 6 2.664 2.942 7.128
38 HE1 TRP 7 HE1 TRP 6 3.852 4.794 8.469
39 HE3 TRP 7 HE3 TRP 6 7.207 2.949 4.792
40 HZ2 TRP 7 HZ2 TRP 6 6.394 6.101 8.549
41 HZ3 TRP 7 HZ3 TRP 6 8.993 4.507 5.523
42 HH2 TRP 7 HH2 TRP 6 8.592 6.080 7.397
43 HA PRO 8 HA PRO 7 2.517 0.338 0.365
44 HB2 PRO 8 HB2 PRO 7 4.552 0.583 -1.467
45 HB3 PRO 8 HB3 PRO 7 3.259 1.782 -1.275
46 HG2 PRO 8 HG2 PRO 7 6.041 1.816 -0.203
47 HG3 PRO 8 HG3 PRO 7 5.095 3.128 -0.923
48 HD2 PRO 8 HD2 PRO 7 5.415 2.868 1.748
49 HD3 PRO 8 HD3 PRO 7 3.940 3.542 1.030
50 H GLU 9 H GLU 8 5.639 0.113 1.863
51 HA GLU 9 HA GLU 8 6.326 -2.461 0.838
52 HB2 GLU 9 HB2 GLU 8 8.101 -2.423 2.442
53 HB3 GLU 9 HB3 GLU 8 7.942 -0.789 1.798
54 HG2 GLU 9 HG2 GLU 8 6.464 -0.253 3.776
55 HG3 GLU 9 HG3 GLU 8 6.889 -1.831 4.434
56 H LEU 10 H LEU 9 4.150 -1.351 3.258
57 HA LEU 10 HA LEU 9 4.066 -3.987 4.557
58 HB2 LEU 10 HB2 LEU 9 2.714 -1.392 5.327
59 HB3 LEU 10 HB3 LEU 9 2.733 -2.878 6.278
60 HG LEU 10 HG LEU 9 5.185 -1.284 5.473
61 HD11 LEU 10 HD11 LEU 9 3.721 -0.186 7.183
62 HD12 LEU 10 HD12 LEU 9 5.311 -0.626 7.804
63 HD13 LEU 10 HD13 LEU 9 3.905 -1.615 8.200
64 HD21 LEU 10 HD21 LEU 9 5.808 -3.581 5.689
65 HD22 LEU 10 HD22 LEU 9 4.775 -3.804 7.101
66 HD23 LEU 10 HD23 LEU 9 6.242 -2.831 7.225
67 H CYS 11 H CYS 10 2.592 -2.347 2.040
68 HA CYS 11 HA CYS 10 0.167 -4.009 2.291
69 HB2 CYS 11 HB2 CYS 10 0.404 -1.152 1.338
70 HB3 CYS 11 HB3 CYS 10 -1.025 -2.153 1.083
71 HA PRO 12 HA PRO 11 2.504 -4.753 -1.688
72 HB2 PRO 12 HB2 PRO 11 2.615 -7.471 -1.427
73 HB3 PRO 12 HB3 PRO 11 3.852 -6.371 -0.787
74 HG2 PRO 12 HG2 PRO 11 1.611 -7.729 0.625
75 HG3 PRO 12 HG3 PRO 11 3.271 -7.434 1.162
76 HD2 PRO 12 HD2 PRO 11 1.151 -5.911 1.986
77 HD3 PRO 12 HD3 PRO 11 2.811 -5.282 1.858
78 H TRP 13 H TRP 12 -0.377 -5.910 -0.217
79 HA TRP 13 HA TRP 12 -1.430 -7.202 -2.581
80 HB2 TRP 13 HB2 TRP 12 -3.590 -7.187 -1.174
81 HB3 TRP 13 HB3 TRP 12 -2.238 -8.151 -0.584
82 HD1 TRP 13 HD1 TRP 12 -3.981 -4.788 0.011
83 HE1 TRP 13 HE1 TRP 12 -3.420 -3.985 2.393
84 HE3 TRP 13 HE3 TRP 12 -0.655 -8.401 1.385
85 HZ2 TRP 13 HZ2 TRP 12 -1.789 -4.787 4.601
86 HZ3 TRP 13 HZ3 TRP 12 0.386 -8.363 3.634
87 HH2 TRP 13 HH2 TRP 12 -0.176 -6.561 5.242
88 H ILE 14 H ILE 13 -0.868 -4.047 -1.991
89 HA ILE 14 HA ILE 13 -3.365 -3.127 -3.268
90 HB ILE 14 HB ILE 13 -1.236 -1.519 -1.846
91 HG12 ILE 14 HG12 ILE 13 -2.434 -3.059 -0.326
92 HG13 ILE 14 HG13 ILE 13 -2.803 -1.370 0.014
93 HG21 ILE 14 HG21 ILE 13 -3.955 -0.862 -2.976
94 HG22 ILE 14 HG22 ILE 13 -2.408 -0.136 -3.400
95 HG23 ILE 14 HG23 ILE 13 -3.126 0.182 -1.823
96 HD11 ILE 14 HD11 ILE 13 -4.926 -1.570 -1.248
97 HD12 ILE 14 HD12 ILE 13 -4.853 -2.767 0.048
98 HD13 ILE 14 HD13 ILE 13 -4.544 -3.256 -1.621
99 H ARG 15 H ARG 14 -3.254 -2.760 -5.363
100 HA ARG 15 HA ARG 14 -0.860 -2.864 -6.855
101 HB2 ARG 15 HB2 ARG 14 -2.229 -2.247 -8.757
102 HB3 ARG 15 HB3 ARG 14 -3.139 -3.371 -7.749
103 HG2 ARG 15 HG2 ARG 14 -4.315 -1.467 -6.692
104 HG3 ARG 15 HG3 ARG 14 -3.423 -0.350 -7.723
105 HD2 ARG 15 HD2 ARG 14 -5.233 -2.554 -8.724
106 HD3 ARG 15 HD3 ARG 14 -5.686 -0.857 -8.597
107 HE ARG 15 HE ARG 14 -3.356 -0.915 -10.095
108 HH11 ARG 15 HH11 ARG 14 -6.584 -2.230 -10.281
109 HH12 ARG 15 HH12 ARG 14 -6.616 -2.228 -12.014
110 HH21 ARG 15 HH21 ARG 14 -3.429 -0.922 -12.370
111 HH22 ARG 15 HH22 ARG 14 -4.847 -1.495 -13.186
112 H SER 16 H SER 15 -2.661 -0.226 -5.423
113 HA SER 16 HA SER 15 -1.434 1.899 -6.831
114 HB2 SER 16 HB2 SER 15 -2.684 1.827 -4.081
115 HB3 SER 16 HB3 SER 15 -2.213 3.297 -4.929
116 HG SER 16 HG SER 15 -3.678 2.775 -6.553
117 H CYS 17 H CYS 16 -0.605 0.216 -3.838
118 HA CYS 17 HA CYS 16 1.676 1.913 -3.291
119 HB2 CYS 17 HB2 CYS 16 0.381 -0.443 -2.011
120 HB3 CYS 17 HB3 CYS 16 2.067 -0.122 -1.624
121 HN1 NH2 18 HN1 NH2 102 1.198 -0.509 -5.566
122 HN2 NH2 18 HN2 NH2 102 2.802 -1.062 -5.690
Start of MODEL 8
1 H1 ACE 1 H1 ACE 0 -5.910 8.989 -7.349
2 H2 ACE 1 H2 ACE 0 -6.477 7.386 -6.881
3 H3 ACE 1 H3 ACE 0 -5.580 7.600 -8.384
4 H GLY 2 H1 GLY 1 -5.325 7.752 -4.857
5 HA2 GLY 2 HA2 GLY 1 -2.417 7.241 -5.115
6 HA3 GLY 2 HA3 GLY 1 -3.092 8.266 -3.847
7 H CYS 3 H CYS 2 -1.500 5.788 -3.597
8 HA CYS 3 HA CYS 2 -3.105 3.597 -2.904
9 HB2 CYS 3 HB2 CYS 2 -0.639 3.515 -3.265
10 HB3 CYS 3 HB3 CYS 2 -0.428 4.313 -1.705
11 HA PRO 4 HA PRO 3 -4.831 5.306 0.882
12 HB2 PRO 4 HB2 PRO 3 -6.025 3.057 1.863
13 HB3 PRO 4 HB3 PRO 3 -6.694 4.005 0.520
14 HG2 PRO 4 HG2 PRO 3 -5.127 1.472 0.452
15 HG3 PRO 4 HG3 PRO 3 -6.537 1.960 -0.510
16 HD2 PRO 4 HD2 PRO 3 -3.980 2.067 -1.470
17 HD3 PRO 4 HD3 PRO 3 -5.267 3.168 -2.014
18 H CYS 5 H CYS 4 -2.613 2.647 0.746
19 HA CYS 5 HA CYS 4 -2.205 2.468 3.611
20 HB2 CYS 5 HB2 CYS 4 -1.139 1.115 1.195
21 HB3 CYS 5 HB3 CYS 4 -0.087 1.164 2.611
22 H ILE 6 H ILE 5 -0.804 3.616 4.798
23 HA ILE 6 HA ILE 5 0.591 5.829 3.748
24 HB ILE 6 HB ILE 5 0.890 4.347 6.370
25 HG12 ILE 6 HG12 ILE 5 -0.407 7.011 5.739
26 HG13 ILE 6 HG13 ILE 5 -1.303 5.492 5.806
27 HG21 ILE 6 HG21 ILE 5 2.022 6.466 7.113
28 HG22 ILE 6 HG22 ILE 5 2.046 6.989 5.430
29 HG23 ILE 6 HG23 ILE 5 2.953 5.560 5.920
30 HD11 ILE 6 HD11 ILE 5 -0.411 5.161 8.140
31 HD12 ILE 6 HD12 ILE 5 -1.491 6.544 7.971
32 HD13 ILE 6 HD13 ILE 5 0.253 6.791 8.057
33 H TRP 7 H TRP 6 1.699 2.605 4.758
34 HA TRP 7 HA TRP 6 4.299 3.159 3.503
35 HB2 TRP 7 HB2 TRP 6 3.520 1.079 5.548
36 HB3 TRP 7 HB3 TRP 6 5.128 1.237 4.831
37 HD1 TRP 7 HD1 TRP 6 2.717 2.992 7.212
38 HE1 TRP 7 HE1 TRP 6 4.005 4.813 8.507
39 HE3 TRP 7 HE3 TRP 6 7.191 2.820 4.761
40 HZ2 TRP 7 HZ2 TRP 6 6.592 6.035 8.503
41 HZ3 TRP 7 HZ3 TRP 6 9.050 4.319 5.426
42 HH2 TRP 7 HH2 TRP 6 8.757 5.925 7.293
43 HA PRO 8 HA PRO 7 2.521 0.384 0.382
44 HB2 PRO 8 HB2 PRO 7 4.520 0.635 -1.466
45 HB3 PRO 8 HB3 PRO 7 3.243 1.844 -1.254
46 HG2 PRO 8 HG2 PRO 7 6.032 1.842 -0.208
47 HG3 PRO 8 HG3 PRO 7 5.098 3.165 -0.928
48 HD2 PRO 8 HD2 PRO 7 5.414 2.923 1.753
49 HD3 PRO 8 HD3 PRO 7 3.933 3.595 1.032
50 H GLU 9 H GLU 8 5.652 0.146 1.895
51 HA GLU 9 HA GLU 8 6.352 -2.400 0.799
52 HB2 GLU 9 HB2 GLU 8 8.129 -2.407 2.398
53 HB3 GLU 9 HB3 GLU 8 7.955 -0.746 1.843
54 HG2 GLU 9 HG2 GLU 8 6.494 -0.309 3.847
55 HG3 GLU 9 HG3 GLU 8 6.902 -1.925 4.422
56 H LEU 10 H LEU 9 4.208 -1.360 3.306
57 HA LEU 10 HA LEU 9 4.101 -4.054 4.484
58 HB2 LEU 10 HB2 LEU 9 2.743 -1.499 5.383
59 HB3 LEU 10 HB3 LEU 9 2.818 -3.021 6.277
60 HG LEU 10 HG LEU 9 5.211 -1.339 5.476
61 HD11 LEU 10 HD11 LEU 9 4.010 -0.222 7.233
62 HD12 LEU 10 HD12 LEU 9 5.394 -1.026 7.974
63 HD13 LEU 10 HD13 LEU 9 3.785 -1.733 8.115
64 HD21 LEU 10 HD21 LEU 9 5.864 -3.650 5.563
65 HD22 LEU 10 HD22 LEU 9 4.923 -3.922 7.032
66 HD23 LEU 10 HD23 LEU 9 6.378 -2.926 7.087
67 H CYS 11 H CYS 10 2.654 -2.408 1.992
68 HA CYS 11 HA CYS 10 0.184 -4.006 2.248
69 HB2 CYS 11 HB2 CYS 10 0.463 -1.161 1.271
70 HB3 CYS 11 HB3 CYS 10 -0.975 -2.144 1.029
71 HA PRO 12 HA PRO 11 2.501 -4.849 -1.720
72 HB2 PRO 12 HB2 PRO 11 2.527 -7.566 -1.424
73 HB3 PRO 12 HB3 PRO 11 3.786 -6.504 -0.758
74 HG2 PRO 12 HG2 PRO 11 1.433 -7.735 0.604
75 HG3 PRO 12 HG3 PRO 11 3.107 -7.567 1.172
76 HD2 PRO 12 HD2 PRO 11 1.125 -5.887 1.991
77 HD3 PRO 12 HD3 PRO 11 2.814 -5.355 1.816
78 H TRP 13 H TRP 12 -0.394 -5.963 -0.192
79 HA TRP 13 HA TRP 12 -1.532 -7.228 -2.516
80 HB2 TRP 13 HB2 TRP 12 -3.661 -7.137 -1.079
81 HB3 TRP 13 HB3 TRP 12 -2.322 -8.118 -0.488
82 HD1 TRP 13 HD1 TRP 12 -4.011 -4.717 0.086
83 HE1 TRP 13 HE1 TRP 12 -3.414 -3.895 2.453
84 HE3 TRP 13 HE3 TRP 12 -0.708 -8.350 1.466
85 HZ2 TRP 13 HZ2 TRP 12 -1.758 -4.683 4.652
86 HZ3 TRP 13 HZ3 TRP 12 0.363 -8.297 3.701
87 HH2 TRP 13 HH2 TRP 12 -0.157 -6.469 5.294
88 H ILE 14 H ILE 13 -0.914 -4.060 -1.939
89 HA ILE 14 HA ILE 13 -3.394 -3.121 -3.247
90 HB ILE 14 HB ILE 13 -1.250 -1.503 -1.862
91 HG12 ILE 14 HG12 ILE 13 -2.444 -3.005 -0.297
92 HG13 ILE 14 HG13 ILE 13 -2.786 -1.309 0.016
93 HG21 ILE 14 HG21 ILE 13 -3.112 0.218 -1.868
94 HG22 ILE 14 HG22 ILE 13 -3.974 -0.845 -2.979
95 HG23 ILE 14 HG23 ILE 13 -2.425 -0.152 -3.447
96 HD11 ILE 14 HD11 ILE 13 -4.925 -1.494 -1.177
97 HD12 ILE 14 HD12 ILE 13 -4.841 -2.718 0.085
98 HD13 ILE 14 HD13 ILE 13 -4.571 -3.169 -1.590
99 H ARG 15 H ARG 14 -3.247 -2.796 -5.370
100 HA ARG 15 HA ARG 14 -0.829 -2.939 -6.831
101 HB2 ARG 15 HB2 ARG 14 -2.177 -2.365 -8.756
102 HB3 ARG 15 HB3 ARG 14 -3.109 -3.454 -7.726
103 HG2 ARG 15 HG2 ARG 14 -4.237 -1.478 -6.712
104 HG3 ARG 15 HG3 ARG 14 -3.362 -0.433 -7.828
105 HD2 ARG 15 HD2 ARG 14 -5.221 -2.669 -8.662
106 HD3 ARG 15 HD3 ARG 14 -5.653 -0.962 -8.626
107 HE ARG 15 HE ARG 14 -3.342 -1.174 -10.164
108 HH11 ARG 15 HH11 ARG 14 -6.635 -2.324 -10.236
109 HH12 ARG 15 HH12 ARG 14 -6.701 -2.389 -11.963
110 HH21 ARG 15 HH21 ARG 14 -3.459 -1.265 -12.425
111 HH22 ARG 15 HH22 ARG 14 -4.916 -1.794 -13.196
112 H SER 16 H SER 15 -2.640 -0.254 -5.487
113 HA SER 16 HA SER 15 -1.395 1.837 -6.920
114 HB2 SER 16 HB2 SER 15 -3.462 2.159 -5.638
115 HB3 SER 16 HB3 SER 15 -2.584 1.868 -4.139
116 HG SER 16 HG SER 15 -2.584 4.069 -5.830
117 H CYS 17 H CYS 16 -0.605 0.286 -3.837
118 HA CYS 17 HA CYS 16 1.673 1.966 -3.310
119 HB2 CYS 17 HB2 CYS 16 0.403 -0.413 -2.058
120 HB3 CYS 17 HB3 CYS 16 2.081 -0.089 -1.664
121 HN1 NH2 18 HN1 NH2 102 1.184 -1.171 -4.900
122 HN2 NH2 18 HN2 NH2 102 2.819 -1.400 -5.319
Start of MODEL 9
1 H1 ACE 1 H1 ACE 0 -2.837 5.787 -8.580
2 H2 ACE 1 H2 ACE 0 -1.785 4.796 -7.569
3 H3 ACE 1 H3 ACE 0 -1.411 6.499 -7.825
4 H GLY 2 H1 GLY 1 -1.601 7.380 -5.811
5 HA2 GLY 2 HA2 GLY 1 -2.636 8.198 -3.917
6 HA3 GLY 2 HA3 GLY 1 -4.171 7.836 -4.707
7 H CYS 3 H CYS 2 -1.537 5.644 -3.791
8 HA CYS 3 HA CYS 2 -3.144 3.578 -2.935
9 HB2 CYS 3 HB2 CYS 2 -0.700 3.415 -3.338
10 HB3 CYS 3 HB3 CYS 2 -0.432 4.249 -1.804
11 HA PRO 4 HA PRO 3 -4.817 5.290 0.870
12 HB2 PRO 4 HB2 PRO 3 -5.964 3.008 1.862
13 HB3 PRO 4 HB3 PRO 3 -6.681 3.982 0.563
14 HG2 PRO 4 HG2 PRO 3 -5.127 1.449 0.397
15 HG3 PRO 4 HG3 PRO 3 -6.547 1.971 -0.528
16 HD2 PRO 4 HD2 PRO 3 -4.003 2.073 -1.525
17 HD3 PRO 4 HD3 PRO 3 -5.289 3.189 -2.034
18 H CYS 5 H CYS 4 -2.636 2.575 0.748
19 HA CYS 5 HA CYS 4 -2.186 2.460 3.602
20 HB2 CYS 5 HB2 CYS 4 -1.164 1.050 1.200
21 HB3 CYS 5 HB3 CYS 4 -0.086 1.124 2.596
22 H ILE 6 H ILE 5 -0.797 3.629 4.752
23 HA ILE 6 HA ILE 5 0.619 5.813 3.658
24 HB ILE 6 HB ILE 5 0.890 4.405 6.320
25 HG12 ILE 6 HG12 ILE 5 -0.393 7.054 5.598
26 HG13 ILE 6 HG13 ILE 5 -1.294 5.539 5.705
27 HG21 ILE 6 HG21 ILE 5 2.958 5.579 5.893
28 HG22 ILE 6 HG22 ILE 5 2.003 6.582 6.985
29 HG23 ILE 6 HG23 ILE 5 2.092 6.984 5.271
30 HD11 ILE 6 HD11 ILE 5 0.397 6.638 7.965
31 HD12 ILE 6 HD12 ILE 5 -0.727 5.281 8.036
32 HD13 ILE 6 HD13 ILE 5 -1.338 6.922 7.819
33 H TRP 7 H TRP 6 1.695 2.600 4.747
34 HA TRP 7 HA TRP 6 4.307 3.140 3.505
35 HB2 TRP 7 HB2 TRP 6 3.541 1.056 5.545
36 HB3 TRP 7 HB3 TRP 6 5.157 1.268 4.861
37 HD1 TRP 7 HD1 TRP 6 2.617 2.949 7.159
38 HE1 TRP 7 HE1 TRP 6 3.807 4.789 8.515
39 HE3 TRP 7 HE3 TRP 6 7.200 2.903 4.889
40 HZ2 TRP 7 HZ2 TRP 6 6.359 6.069 8.629
41 HZ3 TRP 7 HZ3 TRP 6 8.988 4.448 5.644
42 HH2 TRP 7 HH2 TRP 6 8.572 6.028 7.508
43 HA PRO 8 HA PRO 7 2.499 0.356 0.388
44 HB2 PRO 8 HB2 PRO 7 4.502 0.641 -1.468
45 HB3 PRO 8 HB3 PRO 7 3.183 1.805 -1.261
46 HG2 PRO 8 HG2 PRO 7 5.982 1.926 -0.255
47 HG3 PRO 8 HG3 PRO 7 4.966 3.206 -0.939
48 HD2 PRO 8 HD2 PRO 7 5.365 2.943 1.736
49 HD3 PRO 8 HD3 PRO 7 3.856 3.590 1.054
50 H GLU 9 H GLU 8 5.621 0.141 1.897
51 HA GLU 9 HA GLU 8 6.332 -2.410 0.809
52 HB2 GLU 9 HB2 GLU 8 8.120 -2.379 2.403
53 HB3 GLU 9 HB3 GLU 8 7.931 -0.734 1.799
54 HG2 GLU 9 HG2 GLU 8 6.470 -0.252 3.791
55 HG3 GLU 9 HG3 GLU 8 6.903 -1.843 4.417
56 H LEU 10 H LEU 9 4.187 -1.346 3.290
57 HA LEU 10 HA LEU 9 4.096 -4.014 4.528
58 HB2 LEU 10 HB2 LEU 9 2.749 -1.427 5.351
59 HB3 LEU 10 HB3 LEU 9 2.760 -2.932 6.275
60 HG LEU 10 HG LEU 9 5.220 -1.337 5.503
61 HD11 LEU 10 HD11 LEU 9 5.350 -0.792 7.896
62 HD12 LEU 10 HD12 LEU 9 3.855 -1.680 8.186
63 HD13 LEU 10 HD13 LEU 9 3.833 -0.212 7.209
64 HD21 LEU 10 HD21 LEU 9 5.835 -3.642 5.683
65 HD22 LEU 10 HD22 LEU 9 4.801 -3.879 7.090
66 HD23 LEU 10 HD23 LEU 9 6.270 -2.914 7.228
67 H CYS 11 H CYS 10 2.639 -2.396 2.012
68 HA CYS 11 HA CYS 10 0.194 -4.028 2.267
69 HB2 CYS 11 HB2 CYS 10 0.440 -1.173 1.313
70 HB3 CYS 11 HB3 CYS 10 -0.993 -2.165 1.060
71 HA PRO 12 HA PRO 11 2.512 -4.821 -1.722
72 HB2 PRO 12 HB2 PRO 11 2.559 -7.540 -1.456
73 HB3 PRO 12 HB3 PRO 11 3.808 -6.476 -0.775
74 HG2 PRO 12 HG2 PRO 11 1.458 -7.735 0.567
75 HG3 PRO 12 HG3 PRO 11 3.130 -7.569 1.141
76 HD2 PRO 12 HD2 PRO 11 1.142 -5.905 1.979
77 HD3 PRO 12 HD3 PRO 11 2.830 -5.361 1.805
78 H TRP 13 H TRP 12 -0.393 -5.936 -0.233
79 HA TRP 13 HA TRP 12 -1.491 -7.185 -2.591
80 HB2 TRP 13 HB2 TRP 12 -3.636 -7.140 -1.162
81 HB3 TRP 13 HB3 TRP 12 -2.299 -8.144 -0.603
82 HD1 TRP 13 HD1 TRP 12 -4.008 -4.785 0.094
83 HE1 TRP 13 HE1 TRP 12 -3.390 -4.028 2.479
84 HE3 TRP 13 HE3 TRP 12 -0.665 -8.434 1.324
85 HZ2 TRP 13 HZ2 TRP 12 -1.701 -4.871 4.629
86 HZ3 TRP 13 HZ3 TRP 12 0.427 -8.443 3.548
87 HH2 TRP 13 HH2 TRP 12 -0.088 -6.667 5.202
88 H ILE 14 H ILE 13 -0.898 -4.030 -1.952
89 HA ILE 14 HA ILE 13 -3.390 -3.083 -3.235
90 HB ILE 14 HB ILE 13 -1.277 -1.503 -1.777
91 HG12 ILE 14 HG12 ILE 13 -2.482 -3.059 -0.284
92 HG13 ILE 14 HG13 ILE 13 -2.830 -1.375 0.085
93 HG21 ILE 14 HG21 ILE 13 -2.394 -0.066 -3.288
94 HG22 ILE 14 HG22 ILE 13 -3.179 0.194 -1.735
95 HG23 ILE 14 HG23 ILE 13 -3.959 -0.806 -2.956
96 HD11 ILE 14 HD11 ILE 13 -4.883 -2.776 0.096
97 HD12 ILE 14 HD12 ILE 13 -4.600 -3.196 -1.589
98 HD13 ILE 14 HD13 ILE 13 -4.958 -1.525 -1.142
99 H ARG 15 H ARG 14 -3.193 -2.871 -5.363
100 HA ARG 15 HA ARG 14 -0.786 -2.877 -6.802
101 HB2 ARG 15 HB2 ARG 14 -2.139 -2.301 -8.727
102 HB3 ARG 15 HB3 ARG 14 -3.037 -3.440 -7.724
103 HG2 ARG 15 HG2 ARG 14 -4.261 -1.546 -6.694
104 HG3 ARG 15 HG3 ARG 14 -3.392 -0.424 -7.736
105 HD2 ARG 15 HD2 ARG 14 -5.159 -2.678 -8.713
106 HD3 ARG 15 HD3 ARG 14 -5.629 -0.982 -8.638
107 HE ARG 15 HE ARG 14 -3.277 -1.061 -10.103
108 HH11 ARG 15 HH11 ARG 14 -6.489 -2.404 -10.319
109 HH12 ARG 15 HH12 ARG 14 -6.485 -2.443 -12.047
110 HH21 ARG 15 HH21 ARG 14 -3.304 -1.124 -12.366
111 HH22 ARG 15 HH22 ARG 14 -4.699 -1.725 -13.199
112 H SER 16 H SER 15 -2.658 -0.257 -5.431
113 HA SER 16 HA SER 15 -1.442 1.868 -6.838
114 HB2 SER 16 HB2 SER 15 -2.726 1.807 -4.105
115 HB3 SER 16 HB3 SER 15 -2.245 3.275 -4.944
116 HG SER 16 HG SER 15 -4.517 2.207 -5.164
117 H CYS 17 H CYS 16 -0.587 0.157 -3.876
118 HA CYS 17 HA CYS 16 1.648 1.913 -3.296
119 HB2 CYS 17 HB2 CYS 16 0.384 -0.467 -2.037
120 HB3 CYS 17 HB3 CYS 16 2.052 -0.122 -1.628
121 HN1 NH2 18 HN1 NH2 102 1.155 -1.184 -4.936
122 HN2 NH2 18 HN2 NH2 102 2.794 -1.434 -5.326
Start of MODEL 10
1 H1 ACE 1 H1 ACE 0 -6.625 9.548 -4.959
2 H2 ACE 1 H2 ACE 0 -6.543 9.029 -6.642
3 H3 ACE 1 H3 ACE 0 -5.954 10.625 -6.181
4 H GLY 2 H1 GLY 1 -5.423 7.608 -4.415
5 HA2 GLY 2 HA2 GLY 1 -2.861 7.004 -5.429
6 HA3 GLY 2 HA3 GLY 1 -2.679 8.040 -4.015
7 H CYS 3 H CYS 2 -1.549 5.747 -3.631
8 HA CYS 3 HA CYS 2 -3.132 3.562 -2.892
9 HB2 CYS 3 HB2 CYS 2 -0.696 3.415 -3.277
10 HB3 CYS 3 HB3 CYS 2 -0.433 4.307 -1.777
11 HA PRO 4 HA PRO 3 -4.881 5.226 0.894
12 HB2 PRO 4 HB2 PRO 3 -5.996 2.925 1.862
13 HB3 PRO 4 HB3 PRO 3 -6.704 3.864 0.531
14 HG2 PRO 4 HG2 PRO 3 -5.046 1.389 0.432
15 HG3 PRO 4 HG3 PRO 3 -6.484 1.828 -0.514
16 HD2 PRO 4 HD2 PRO 3 -3.951 2.037 -1.505
17 HD3 PRO 4 HD3 PRO 3 -5.272 3.112 -2.014
18 H CYS 5 H CYS 4 -2.591 2.633 0.730
19 HA CYS 5 HA CYS 4 -2.146 2.505 3.601
20 HB2 CYS 5 HB2 CYS 4 -1.143 1.064 1.203
21 HB3 CYS 5 HB3 CYS 4 -0.083 1.129 2.613
22 H ILE 6 H ILE 5 -0.768 3.734 4.698
23 HA ILE 6 HA ILE 5 0.687 5.847 3.526
24 HB ILE 6 HB ILE 5 0.932 4.529 6.233
25 HG12 ILE 6 HG12 ILE 5 -0.275 7.188 5.424
26 HG13 ILE 6 HG13 ILE 5 -1.218 5.703 5.588
27 HG21 ILE 6 HG21 ILE 5 2.240 7.002 5.075
28 HG22 ILE 6 HG22 ILE 5 3.034 5.606 5.806
29 HG23 ILE 6 HG23 ILE 5 2.103 6.716 6.809
30 HD11 ILE 6 HD11 ILE 5 -1.279 7.077 7.662
31 HD12 ILE 6 HD12 ILE 5 0.474 6.933 7.786
32 HD13 ILE 6 HD13 ILE 5 -0.542 5.498 7.933
33 H TRP 7 H TRP 6 1.701 2.656 4.718
34 HA TRP 7 HA TRP 6 4.326 3.116 3.480
35 HB2 TRP 7 HB2 TRP 6 3.495 1.063 5.521
36 HB3 TRP 7 HB3 TRP 6 5.123 1.237 4.854
37 HD1 TRP 7 HD1 TRP 6 2.637 2.901 7.197
38 HE1 TRP 7 HE1 TRP 6 3.837 4.759 8.519
39 HE3 TRP 7 HE3 TRP 6 7.134 2.949 4.772
40 HZ2 TRP 7 HZ2 TRP 6 6.366 6.090 8.546
41 HZ3 TRP 7 HZ3 TRP 6 8.918 4.528 5.464
42 HH2 TRP 7 HH2 TRP 6 8.538 6.097 7.347
43 HA PRO 8 HA PRO 7 2.513 0.332 0.369
44 HB2 PRO 8 HB2 PRO 7 4.524 0.573 -1.472
45 HB3 PRO 8 HB3 PRO 7 3.255 1.792 -1.263
46 HG2 PRO 8 HG2 PRO 7 6.045 1.769 -0.201
47 HG3 PRO 8 HG3 PRO 7 5.123 3.097 -0.935
48 HD2 PRO 8 HD2 PRO 7 5.415 2.869 1.748
49 HD3 PRO 8 HD3 PRO 7 3.943 3.544 1.012
50 H GLU 9 H GLU 8 5.615 0.104 1.913
51 HA GLU 9 HA GLU 8 6.334 -2.461 0.868
52 HB2 GLU 9 HB2 GLU 8 8.097 -2.415 2.482
53 HB3 GLU 9 HB3 GLU 8 7.911 -0.771 1.879
54 HG2 GLU 9 HG2 GLU 8 6.349 -0.371 3.863
55 HG3 GLU 9 HG3 GLU 8 6.943 -1.902 4.503
56 H LEU 10 H LEU 9 4.163 -1.371 3.321
57 HA LEU 10 HA LEU 9 4.048 -4.034 4.566
58 HB2 LEU 10 HB2 LEU 9 2.724 -1.428 5.367
59 HB3 LEU 10 HB3 LEU 9 2.672 -2.937 6.285
60 HG LEU 10 HG LEU 9 5.213 -1.447 5.568
61 HD11 LEU 10 HD11 LEU 9 4.045 -0.112 7.170
62 HD12 LEU 10 HD12 LEU 9 5.242 -1.030 8.085
63 HD13 LEU 10 HD13 LEU 9 3.551 -1.532 8.092
64 HD21 LEU 10 HD21 LEU 9 6.122 -3.015 7.379
65 HD22 LEU 10 HD22 LEU 9 5.704 -3.772 5.842
66 HD23 LEU 10 HD23 LEU 9 4.611 -3.912 7.219
67 H CYS 11 H CYS 10 2.598 -2.372 2.058
68 HA CYS 11 HA CYS 10 0.159 -4.024 2.277
69 HB2 CYS 11 HB2 CYS 10 0.417 -1.167 1.324
70 HB3 CYS 11 HB3 CYS 10 -1.013 -2.155 1.062
71 HA PRO 12 HA PRO 11 2.540 -4.794 -1.679
72 HB2 PRO 12 HB2 PRO 11 2.648 -7.507 -1.392
73 HB3 PRO 12 HB3 PRO 11 3.864 -6.407 -0.704
74 HG2 PRO 12 HG2 PRO 11 1.533 -7.720 0.618
75 HG3 PRO 12 HG3 PRO 11 3.191 -7.501 1.214
76 HD2 PRO 12 HD2 PRO 11 1.138 -5.890 2.005
77 HD3 PRO 12 HD3 PRO 11 2.813 -5.306 1.866
78 H TRP 13 H TRP 12 -0.372 -5.904 -0.220
79 HA TRP 13 HA TRP 12 -1.410 -7.206 -2.585
80 HB2 TRP 13 HB2 TRP 12 -3.564 -7.216 -1.180
81 HB3 TRP 13 HB3 TRP 12 -2.204 -8.170 -0.588
82 HD1 TRP 13 HD1 TRP 12 -3.997 -4.835 0.021
83 HE1 TRP 13 HE1 TRP 12 -3.449 -4.034 2.408
84 HE3 TRP 13 HE3 TRP 12 -0.626 -8.411 1.386
85 HZ2 TRP 13 HZ2 TRP 12 -1.802 -4.818 4.611
86 HZ3 TRP 13 HZ3 TRP 12 0.412 -8.368 3.636
87 HH2 TRP 13 HH2 TRP 12 -0.172 -6.578 5.251
88 H ILE 14 H ILE 13 -0.847 -4.061 -2.005
89 HA ILE 14 HA ILE 13 -3.359 -3.139 -3.261
90 HB ILE 14 HB ILE 13 -1.246 -1.537 -1.829
91 HG12 ILE 14 HG12 ILE 13 -2.444 -3.080 -0.319
92 HG13 ILE 14 HG13 ILE 13 -2.807 -1.396 0.029
93 HG21 ILE 14 HG21 ILE 13 -2.398 -0.135 -3.379
94 HG22 ILE 14 HG22 ILE 13 -3.110 0.174 -1.801
95 HG23 ILE 14 HG23 ILE 13 -3.953 -0.848 -2.962
96 HD11 ILE 14 HD11 ILE 13 -4.558 -3.263 -1.613
97 HD12 ILE 14 HD12 ILE 13 -4.930 -1.586 -1.218
98 HD13 ILE 14 HD13 ILE 13 -4.853 -2.796 0.056
99 H ARG 15 H ARG 14 -3.256 -2.735 -5.357
100 HA ARG 15 HA ARG 14 -0.869 -2.830 -6.865
101 HB2 ARG 15 HB2 ARG 14 -2.257 -2.206 -8.747
102 HB3 ARG 15 HB3 ARG 14 -3.154 -3.338 -7.735
103 HG2 ARG 15 HG2 ARG 14 -4.310 -1.430 -6.652
104 HG3 ARG 15 HG3 ARG 14 -3.446 -0.317 -7.706
105 HD2 ARG 15 HD2 ARG 14 -5.252 -2.533 -8.686
106 HD3 ARG 15 HD3 ARG 14 -5.738 -0.847 -8.525
107 HE ARG 15 HE ARG 14 -3.415 -0.897 -10.076
108 HH11 ARG 15 HH11 ARG 14 -6.701 -2.057 -10.220
109 HH12 ARG 15 HH12 ARG 14 -6.781 -1.978 -11.943
110 HH21 ARG 15 HH21 ARG 14 -3.554 -0.801 -12.336
111 HH22 ARG 15 HH22 ARG 14 -5.017 -1.272 -13.135
112 H SER 16 H SER 15 -2.674 -0.196 -5.423
113 HA SER 16 HA SER 15 -1.451 1.930 -6.826
114 HB2 SER 16 HB2 SER 15 -2.712 1.841 -4.084
115 HB3 SER 16 HB3 SER 15 -2.227 3.320 -4.907
116 HG SER 16 HG SER 15 -4.501 2.141 -5.135
117 H CYS 17 H CYS 16 -0.602 0.236 -3.850
118 HA CYS 17 HA CYS 16 1.673 1.941 -3.300
119 HB2 CYS 17 HB2 CYS 16 0.358 -0.389 -2.012
120 HB3 CYS 17 HB3 CYS 16 2.040 -0.106 -1.630
121 HN1 NH2 18 HN1 NH2 102 1.112 -0.823 -5.293
122 HN2 NH2 18 HN2 NH2 102 2.745 -1.251 -5.529
Start of MODEL 11
1 H1 ACE 1 H1 ACE 0 -7.056 7.522 -6.096
2 H2 ACE 1 H2 ACE 0 -6.755 6.438 -7.456
3 H3 ACE 1 H3 ACE 0 -6.170 8.101 -7.506
4 H GLY 2 H1 GLY 1 -5.053 8.398 -5.013
5 HA2 GLY 2 HA2 GLY 1 -2.557 7.042 -5.304
6 HA3 GLY 2 HA3 GLY 1 -3.013 8.118 -3.982
7 H CYS 3 H CYS 2 -1.551 5.713 -3.647
8 HA CYS 3 HA CYS 2 -3.142 3.521 -2.894
9 HB2 CYS 3 HB2 CYS 2 -0.692 3.396 -3.286
10 HB3 CYS 3 HB3 CYS 2 -0.443 4.280 -1.780
11 HA PRO 4 HA PRO 3 -4.832 5.276 0.872
12 HB2 PRO 4 HB2 PRO 3 -5.984 3.029 1.908
13 HB3 PRO 4 HB3 PRO 3 -6.685 3.945 0.557
14 HG2 PRO 4 HG2 PRO 3 -5.078 1.434 0.511
15 HG3 PRO 4 HG3 PRO 3 -6.513 1.879 -0.433
16 HD2 PRO 4 HD2 PRO 3 -3.986 2.010 -1.447
17 HD3 PRO 4 HD3 PRO 3 -5.294 3.091 -1.975
18 H CYS 5 H CYS 4 -2.614 2.598 0.766
19 HA CYS 5 HA CYS 4 -2.165 2.507 3.626
20 HB2 CYS 5 HB2 CYS 4 -1.101 1.091 1.237
21 HB3 CYS 5 HB3 CYS 4 -0.073 1.156 2.670
22 H ILE 6 H ILE 5 -0.755 3.688 4.763
23 HA ILE 6 HA ILE 5 0.646 5.856 3.631
24 HB ILE 6 HB ILE 5 0.940 4.462 6.301
25 HG12 ILE 6 HG12 ILE 5 -0.319 7.123 5.577
26 HG13 ILE 6 HG13 ILE 5 -1.236 5.621 5.706
27 HG21 ILE 6 HG21 ILE 5 2.093 6.614 6.952
28 HG22 ILE 6 HG22 ILE 5 2.157 7.026 5.239
29 HG23 ILE 6 HG23 ILE 5 3.019 5.610 5.838
30 HD11 ILE 6 HD11 ILE 5 -1.369 6.826 7.825
31 HD12 ILE 6 HD12 ILE 5 0.390 6.925 7.910
32 HD13 ILE 6 HD13 ILE 5 -0.413 5.362 8.047
33 H TRP 7 H TRP 6 1.720 2.651 4.719
34 HA TRP 7 HA TRP 6 4.337 3.140 3.463
35 HB2 TRP 7 HB2 TRP 6 3.505 1.091 5.522
36 HB3 TRP 7 HB3 TRP 6 5.127 1.241 4.836
37 HD1 TRP 7 HD1 TRP 6 2.675 3.003 7.169
38 HE1 TRP 7 HE1 TRP 6 3.934 4.842 8.467
39 HE3 TRP 7 HE3 TRP 6 7.186 2.843 4.784
40 HZ2 TRP 7 HZ2 TRP 6 6.512 6.083 8.491
41 HZ3 TRP 7 HZ3 TRP 6 9.025 4.359 5.464
42 HH2 TRP 7 HH2 TRP 6 8.694 5.978 7.314
43 HA PRO 8 HA PRO 7 2.511 0.341 0.385
44 HB2 PRO 8 HB2 PRO 7 4.509 0.540 -1.472
45 HB3 PRO 8 HB3 PRO 7 3.245 1.767 -1.278
46 HG2 PRO 8 HG2 PRO 7 6.041 1.752 -0.252
47 HG3 PRO 8 HG3 PRO 7 5.111 3.077 -0.975
48 HD2 PRO 8 HD2 PRO 7 5.455 2.848 1.710
49 HD3 PRO 8 HD3 PRO 7 3.987 3.550 0.995
50 H GLU 9 H GLU 8 5.637 0.110 1.902
51 HA GLU 9 HA GLU 8 6.337 -2.458 0.864
52 HB2 GLU 9 HB2 GLU 8 8.089 -2.440 2.505
53 HB3 GLU 9 HB3 GLU 8 7.945 -0.802 1.876
54 HG2 GLU 9 HG2 GLU 8 6.438 -0.280 3.836
55 HG3 GLU 9 HG3 GLU 8 6.857 -1.862 4.489
56 H LEU 10 H LEU 9 4.167 -1.362 3.322
57 HA LEU 10 HA LEU 9 4.031 -4.025 4.563
58 HB2 LEU 10 HB2 LEU 9 2.671 -1.438 5.364
59 HB3 LEU 10 HB3 LEU 9 2.692 -2.940 6.292
60 HG LEU 10 HG LEU 9 5.143 -1.328 5.529
61 HD11 LEU 10 HD11 LEU 9 3.875 -0.139 7.207
62 HD12 LEU 10 HD12 LEU 9 5.249 -0.906 8.003
63 HD13 LEU 10 HD13 LEU 9 3.641 -1.617 8.142
64 HD21 LEU 10 HD21 LEU 9 5.750 -3.640 5.718
65 HD22 LEU 10 HD22 LEU 9 4.734 -3.858 7.141
66 HD23 LEU 10 HD23 LEU 9 6.205 -2.890 7.247
67 H CYS 11 H CYS 10 2.604 -2.377 2.033
68 HA CYS 11 HA CYS 10 0.162 -4.024 2.245
69 HB2 CYS 11 HB2 CYS 10 0.387 -1.168 1.286
70 HB3 CYS 11 HB3 CYS 10 -1.035 -2.177 1.064
71 HA PRO 12 HA PRO 11 2.537 -4.752 -1.707
72 HB2 PRO 12 HB2 PRO 11 2.643 -7.473 -1.443
73 HB3 PRO 12 HB3 PRO 11 3.865 -6.379 -0.762
74 HG2 PRO 12 HG2 PRO 11 1.560 -7.713 0.578
75 HG3 PRO 12 HG3 PRO 11 3.220 -7.468 1.159
76 HD2 PRO 12 HD2 PRO 11 1.135 -5.892 1.959
77 HD3 PRO 12 HD3 PRO 11 2.807 -5.291 1.839
78 H TRP 13 H TRP 12 -0.344 -5.976 -0.229
79 HA TRP 13 HA TRP 12 -1.412 -7.239 -2.591
80 HB2 TRP 13 HB2 TRP 12 -3.552 -7.259 -1.191
81 HB3 TRP 13 HB3 TRP 12 -2.183 -8.174 -0.565
82 HD1 TRP 13 HD1 TRP 12 -4.033 -4.848 -0.044
83 HE1 TRP 13 HE1 TRP 12 -3.550 -4.007 2.343
84 HE3 TRP 13 HE3 TRP 12 -0.620 -8.339 1.437
85 HZ2 TRP 13 HZ2 TRP 12 -1.933 -4.729 4.591
86 HZ3 TRP 13 HZ3 TRP 12 0.375 -8.241 3.705
87 HH2 TRP 13 HH2 TRP 12 -0.277 -6.443 5.284
88 H ILE 14 H ILE 13 -0.886 -4.070 -1.968
89 HA ILE 14 HA ILE 13 -3.390 -3.159 -3.249
90 HB ILE 14 HB ILE 13 -1.258 -1.548 -1.845
91 HG12 ILE 14 HG12 ILE 13 -2.447 -3.061 -0.298
92 HG13 ILE 14 HG13 ILE 13 -2.819 -1.370 0.021
93 HG21 ILE 14 HG21 ILE 13 -3.973 -0.876 -2.969
94 HG22 ILE 14 HG22 ILE 13 -2.421 -0.178 -3.419
95 HG23 ILE 14 HG23 ILE 13 -3.118 0.172 -1.840
96 HD11 ILE 14 HD11 ILE 13 -4.936 -1.589 -1.225
97 HD12 ILE 14 HD12 ILE 13 -4.858 -2.781 0.068
98 HD13 ILE 14 HD13 ILE 13 -4.554 -3.269 -1.593
99 H ARG 15 H ARG 14 -3.283 -2.739 -5.360
100 HA ARG 15 HA ARG 14 -0.891 -2.856 -6.862
101 HB2 ARG 15 HB2 ARG 14 -2.262 -2.193 -8.750
102 HB3 ARG 15 HB3 ARG 14 -3.168 -3.333 -7.756
103 HG2 ARG 15 HG2 ARG 14 -4.296 -1.414 -6.635
104 HG3 ARG 15 HG3 ARG 14 -3.450 -0.313 -7.718
105 HD2 ARG 15 HD2 ARG 14 -5.681 -0.744 -8.592
106 HD3 ARG 15 HD3 ARG 14 -4.479 -1.470 -9.659
107 HE ARG 15 HE ARG 14 -5.331 -3.348 -7.703
108 HH11 ARG 15 HH11 ARG 14 -6.349 -1.728 -10.619
109 HH12 ARG 15 HH12 ARG 14 -7.411 -3.005 -11.104
110 HH21 ARG 15 HH21 ARG 14 -6.733 -5.005 -8.355
111 HH22 ARG 15 HH22 ARG 14 -7.627 -4.852 -9.829
112 H SER 16 H SER 15 -2.661 -0.187 -5.435
113 HA SER 16 HA SER 15 -1.406 1.928 -6.834
114 HB2 SER 16 HB2 SER 15 -2.692 1.830 -4.105
115 HB3 SER 16 HB3 SER 15 -2.184 3.313 -4.907
116 HG SER 16 HG SER 15 -3.827 3.157 -6.227
117 H CYS 17 H CYS 16 -0.601 0.235 -3.844
118 HA CYS 17 HA CYS 16 1.686 1.916 -3.287
119 HB2 CYS 17 HB2 CYS 16 0.352 -0.413 -2.013
120 HB3 CYS 17 HB3 CYS 16 2.040 -0.134 -1.621
121 HN1 NH2 18 HN1 NH2 102 1.192 -0.532 -5.536
122 HN2 NH2 18 HN2 NH2 102 2.791 -1.102 -5.653
Start of MODEL 12
1 H1 ACE 1 H1 ACE 0 -6.351 10.313 -5.406
2 H2 ACE 1 H2 ACE 0 -6.955 8.663 -5.549
3 H3 ACE 1 H3 ACE 0 -6.377 9.518 -6.979
4 H GLY 2 H1 GLY 1 -5.542 7.376 -4.508
5 HA2 GLY 2 HA2 GLY 1 -2.970 6.851 -5.508
6 HA3 GLY 2 HA3 GLY 1 -2.805 7.912 -4.109
7 H CYS 3 H CYS 2 -1.609 5.682 -3.623
8 HA CYS 3 HA CYS 2 -3.165 3.472 -2.843
9 HB2 CYS 3 HB2 CYS 2 -0.730 3.361 -3.258
10 HB3 CYS 3 HB3 CYS 2 -0.460 4.288 -1.780
11 HA PRO 4 HA PRO 3 -4.845 5.246 0.919
12 HB2 PRO 4 HB2 PRO 3 -5.956 2.999 1.994
13 HB3 PRO 4 HB3 PRO 3 -6.677 3.871 0.625
14 HG2 PRO 4 HG2 PRO 3 -5.006 1.401 0.624
15 HG3 PRO 4 HG3 PRO 3 -6.463 1.780 -0.312
16 HD2 PRO 4 HD2 PRO 3 -3.960 1.964 -1.373
17 HD3 PRO 4 HD3 PRO 3 -5.300 3.011 -1.891
18 H CYS 5 H CYS 4 -2.623 2.579 0.810
19 HA CYS 5 HA CYS 4 -2.103 2.522 3.654
20 HB2 CYS 5 HB2 CYS 4 -1.002 1.129 1.247
21 HB3 CYS 5 HB3 CYS 4 -0.060 1.136 2.740
22 H ILE 6 H ILE 5 -0.719 3.767 4.736
23 HA ILE 6 HA ILE 5 0.682 5.904 3.537
24 HB ILE 6 HB ILE 5 0.995 4.573 6.239
25 HG12 ILE 6 HG12 ILE 5 -0.256 7.222 5.464
26 HG13 ILE 6 HG13 ILE 5 -1.180 5.728 5.635
27 HG21 ILE 6 HG21 ILE 5 2.169 6.734 6.825
28 HG22 ILE 6 HG22 ILE 5 2.216 7.104 5.100
29 HG23 ILE 6 HG23 ILE 5 3.075 5.696 5.724
30 HD11 ILE 6 HD11 ILE 5 -0.474 5.514 7.962
31 HD12 ILE 6 HD12 ILE 5 -1.210 7.098 7.715
32 HD13 ILE 6 HD13 ILE 5 0.544 6.945 7.810
33 H TRP 7 H TRP 6 1.742 2.714 4.705
34 HA TRP 7 HA TRP 6 4.352 3.173 3.425
35 HB2 TRP 7 HB2 TRP 6 3.527 1.143 5.511
36 HB3 TRP 7 HB3 TRP 6 5.146 1.302 4.820
37 HD1 TRP 7 HD1 TRP 6 2.653 3.120 7.068
38 HE1 TRP 7 HE1 TRP 6 3.896 4.958 8.380
39 HE3 TRP 7 HE3 TRP 6 7.237 2.845 4.837
40 HZ2 TRP 7 HZ2 TRP 6 6.490 6.155 8.469
41 HZ3 TRP 7 HZ3 TRP 6 9.077 4.344 5.556
42 HH2 TRP 7 HH2 TRP 6 8.708 5.995 7.368
43 HA PRO 8 HA PRO 7 2.519 0.343 0.386
44 HB2 PRO 8 HB2 PRO 7 4.501 0.538 -1.482
45 HB3 PRO 8 HB3 PRO 7 3.265 1.792 -1.267
46 HG2 PRO 8 HG2 PRO 7 6.067 1.707 -0.237
47 HG3 PRO 8 HG3 PRO 7 5.176 3.049 -0.979
48 HD2 PRO 8 HD2 PRO 7 5.484 2.846 1.706
49 HD3 PRO 8 HD3 PRO 7 4.030 3.552 0.971
50 H GLU 9 H GLU 8 5.601 0.122 1.950
51 HA GLU 9 HA GLU 8 6.343 -2.441 0.921
52 HB2 GLU 9 HB2 GLU 8 8.079 -2.390 2.569
53 HB3 GLU 9 HB3 GLU 8 7.911 -0.752 1.942
54 HG2 GLU 9 HG2 GLU 8 6.360 -0.279 3.892
55 HG3 GLU 9 HG3 GLU 8 6.843 -1.842 4.552
56 H LEU 10 H LEU 9 4.103 -1.365 3.314
57 HA LEU 10 HA LEU 9 3.990 -4.024 4.573
58 HB2 LEU 10 HB2 LEU 9 2.618 -1.439 5.357
59 HB3 LEU 10 HB3 LEU 9 2.625 -2.939 6.288
60 HG LEU 10 HG LEU 9 5.094 -1.346 5.537
61 HD11 LEU 10 HD11 LEU 9 5.161 -0.591 7.797
62 HD12 LEU 10 HD12 LEU 9 3.871 -1.692 8.281
63 HD13 LEU 10 HD13 LEU 9 3.511 -0.309 7.247
64 HD21 LEU 10 HD21 LEU 9 6.105 -2.899 7.312
65 HD22 LEU 10 HD22 LEU 9 5.695 -3.652 5.771
66 HD23 LEU 10 HD23 LEU 9 4.632 -3.859 7.162
67 H CYS 11 H CYS 10 2.576 -2.404 2.028
68 HA CYS 11 HA CYS 10 0.133 -4.047 2.233
69 HB2 CYS 11 HB2 CYS 10 0.383 -1.195 1.267
70 HB3 CYS 11 HB3 CYS 10 -1.035 -2.201 1.007
71 HA PRO 12 HA PRO 11 2.523 -4.808 -1.703
72 HB2 PRO 12 HB2 PRO 11 2.625 -7.533 -1.428
73 HB3 PRO 12 HB3 PRO 11 3.859 -6.436 -0.774
74 HG2 PRO 12 HG2 PRO 11 1.595 -7.782 0.613
75 HG3 PRO 12 HG3 PRO 11 3.250 -7.480 1.172
76 HD2 PRO 12 HD2 PRO 11 1.107 -5.949 1.953
77 HD3 PRO 12 HD3 PRO 11 2.772 -5.325 1.856
78 H TRP 13 H TRP 12 -0.377 -5.970 -0.248
79 HA TRP 13 HA TRP 12 -1.435 -7.247 -2.617
80 HB2 TRP 13 HB2 TRP 12 -3.586 -7.253 -1.225
81 HB3 TRP 13 HB3 TRP 12 -2.228 -8.195 -0.612
82 HD1 TRP 13 HD1 TRP 12 -4.015 -4.839 -0.054
83 HE1 TRP 13 HE1 TRP 12 -3.507 -4.029 2.339
84 HE3 TRP 13 HE3 TRP 12 -0.682 -8.420 1.390
85 HZ2 TRP 13 HZ2 TRP 12 -1.897 -4.803 4.574
86 HZ3 TRP 13 HZ3 TRP 12 0.322 -8.365 3.654
87 HH2 TRP 13 HH2 TRP 12 -0.282 -6.562 5.247
88 H ILE 14 H ILE 13 -0.863 -4.103 -2.027
89 HA ILE 14 HA ILE 13 -3.362 -3.168 -3.289
90 HB ILE 14 HB ILE 13 -1.229 -1.581 -1.854
91 HG12 ILE 14 HG12 ILE 13 -2.427 -3.088 -0.330
92 HG13 ILE 14 HG13 ILE 13 -2.836 -1.405 -0.015
93 HG21 ILE 14 HG21 ILE 13 -3.953 -0.852 -2.956
94 HG22 ILE 14 HG22 ILE 13 -2.394 -0.204 -3.459
95 HG23 ILE 14 HG23 ILE 13 -3.031 0.182 -1.864
96 HD11 ILE 14 HD11 ILE 13 -4.869 -2.780 0.010
97 HD12 ILE 14 HD12 ILE 13 -4.501 -3.391 -1.602
98 HD13 ILE 14 HD13 ILE 13 -4.913 -1.689 -1.375
99 H ARG 15 H ARG 14 -3.250 -2.728 -5.390
100 HA ARG 15 HA ARG 14 -0.848 -2.826 -6.883
101 HB2 ARG 15 HB2 ARG 14 -2.229 -2.172 -8.773
102 HB3 ARG 15 HB3 ARG 14 -3.115 -3.332 -7.783
103 HG2 ARG 15 HG2 ARG 14 -4.309 -1.469 -6.674
104 HG3 ARG 15 HG3 ARG 14 -3.441 -0.316 -7.687
105 HD2 ARG 15 HD2 ARG 14 -5.234 -2.517 -8.736
106 HD3 ARG 15 HD3 ARG 14 -5.706 -0.829 -8.562
107 HE ARG 15 HE ARG 14 -3.362 -0.862 -10.066
108 HH11 ARG 15 HH11 ARG 14 -6.635 -2.030 -10.304
109 HH12 ARG 15 HH12 ARG 14 -6.668 -1.943 -12.032
110 HH21 ARG 15 HH21 ARG 14 -3.425 -0.764 -12.323
111 HH22 ARG 15 HH22 ARG 14 -4.861 -1.231 -13.171
112 H SER 16 H SER 15 -2.644 -0.200 -5.425
113 HA SER 16 HA SER 15 -1.427 1.938 -6.814
114 HB2 SER 16 HB2 SER 15 -2.693 1.815 -4.075
115 HB3 SER 16 HB3 SER 15 -2.217 3.306 -4.883
116 HG SER 16 HG SER 15 -3.734 2.969 -6.413
117 H CYS 17 H CYS 16 -0.588 0.236 -3.838
118 HA CYS 17 HA CYS 16 1.681 1.945 -3.275
119 HB2 CYS 17 HB2 CYS 16 0.350 -0.382 -1.997
120 HB3 CYS 17 HB3 CYS 16 2.042 -0.120 -1.615
121 HN1 NH2 18 HN1 NH2 102 1.126 -1.112 -4.947
122 HN2 NH2 18 HN2 NH2 102 2.760 -1.412 -5.316
Start of MODEL 13
1 H1 ACE 1 H1 ACE 0 -6.517 10.067 -5.495
2 H2 ACE 1 H2 ACE 0 -7.361 9.353 -4.121
3 H3 ACE 1 H3 ACE 0 -7.051 8.388 -5.563
4 H GLY 2 H1 GLY 1 -5.035 7.466 -5.872
5 HA2 GLY 2 HA2 GLY 1 -2.772 7.016 -5.439
6 HA3 GLY 2 HA3 GLY 1 -2.850 8.084 -4.037
7 H CYS 3 H CYS 2 -1.564 5.769 -3.648
8 HA CYS 3 HA CYS 2 -3.146 3.568 -2.903
9 HB2 CYS 3 HB2 CYS 2 -0.713 3.415 -3.301
10 HB3 CYS 3 HB3 CYS 2 -0.437 4.326 -1.816
11 HA PRO 4 HA PRO 3 -4.842 5.314 0.870
12 HB2 PRO 4 HB2 PRO 3 -5.990 3.058 1.889
13 HB3 PRO 4 HB3 PRO 3 -6.689 3.971 0.535
14 HG2 PRO 4 HG2 PRO 3 -5.061 1.474 0.494
15 HG3 PRO 4 HG3 PRO 3 -6.499 1.901 -0.453
16 HD2 PRO 4 HD2 PRO 3 -3.970 2.061 -1.465
17 HD3 PRO 4 HD3 PRO 3 -5.285 3.134 -1.993
18 H CYS 5 H CYS 4 -2.698 2.570 0.761
19 HA CYS 5 HA CYS 4 -2.195 2.455 3.597
20 HB2 CYS 5 HB2 CYS 4 -1.230 1.058 1.170
21 HB3 CYS 5 HB3 CYS 4 -0.102 1.136 2.526
22 H ILE 6 H ILE 5 -0.797 3.626 4.737
23 HA ILE 6 HA ILE 5 0.618 5.810 3.635
24 HB ILE 6 HB ILE 5 0.896 4.397 6.294
25 HG12 ILE 6 HG12 ILE 5 -0.368 7.054 5.575
26 HG13 ILE 6 HG13 ILE 5 -1.279 5.546 5.696
27 HG21 ILE 6 HG21 ILE 5 2.048 6.528 6.976
28 HG22 ILE 6 HG22 ILE 5 2.096 6.990 5.276
29 HG23 ILE 6 HG23 ILE 5 2.975 5.565 5.827
30 HD11 ILE 6 HD11 ILE 5 0.381 6.775 7.919
31 HD12 ILE 6 HD12 ILE 5 -0.551 5.282 8.034
32 HD13 ILE 6 HD13 ILE 5 -1.380 6.823 7.813
33 H TRP 7 H TRP 6 1.705 2.590 4.704
34 HA TRP 7 HA TRP 6 4.304 3.137 3.440
35 HB2 TRP 7 HB2 TRP 6 3.569 1.038 5.474
36 HB3 TRP 7 HB3 TRP 6 5.179 1.278 4.785
37 HD1 TRP 7 HD1 TRP 6 2.638 2.879 7.133
38 HE1 TRP 7 HE1 TRP 6 3.808 4.722 8.504
39 HE3 TRP 7 HE3 TRP 6 7.188 2.965 4.805
40 HZ2 TRP 7 HZ2 TRP 6 6.334 6.053 8.604
41 HZ3 TRP 7 HZ3 TRP 6 8.955 4.532 5.560
42 HH2 TRP 7 HH2 TRP 6 8.532 6.075 7.455
43 HA PRO 8 HA PRO 7 2.515 0.329 0.349
44 HB2 PRO 8 HB2 PRO 7 4.519 0.570 -1.499
45 HB3 PRO 8 HB3 PRO 7 3.235 1.772 -1.302
46 HG2 PRO 8 HG2 PRO 7 6.030 1.813 -0.270
47 HG3 PRO 8 HG3 PRO 7 5.067 3.117 -0.986
48 HD2 PRO 8 HD2 PRO 7 5.414 2.880 1.700
49 HD3 PRO 8 HD3 PRO 7 3.929 3.554 0.989
50 H GLU 9 H GLU 8 5.634 0.116 1.875
51 HA GLU 9 HA GLU 8 6.341 -2.455 0.832
52 HB2 GLU 9 HB2 GLU 8 8.134 -2.404 2.401
53 HB3 GLU 9 HB3 GLU 8 7.929 -0.751 1.827
54 HG2 GLU 9 HG2 GLU 8 6.448 -0.346 3.843
55 HG3 GLU 9 HG3 GLU 8 6.965 -1.919 4.445
56 H LEU 10 H LEU 9 4.189 -1.357 3.294
57 HA LEU 10 HA LEU 9 4.099 -4.013 4.556
58 HB2 LEU 10 HB2 LEU 9 2.763 -1.414 5.368
59 HB3 LEU 10 HB3 LEU 9 2.764 -2.917 6.297
60 HG LEU 10 HG LEU 9 5.249 -1.369 5.509
61 HD11 LEU 10 HD11 LEU 9 3.853 -1.619 8.190
62 HD12 LEU 10 HD12 LEU 9 3.879 -0.172 7.180
63 HD13 LEU 10 HD13 LEU 9 5.374 -0.776 7.895
64 HD21 LEU 10 HD21 LEU 9 6.263 -2.919 7.269
65 HD22 LEU 10 HD22 LEU 9 5.798 -3.691 5.754
66 HD23 LEU 10 HD23 LEU 9 4.769 -3.852 7.177
67 H CYS 11 H CYS 10 2.643 -2.410 2.035
68 HA CYS 11 HA CYS 10 0.195 -4.041 2.293
69 HB2 CYS 11 HB2 CYS 10 0.440 -1.200 1.287
70 HB3 CYS 11 HB3 CYS 10 -0.996 -2.196 1.091
71 HA PRO 12 HA PRO 11 2.524 -4.864 -1.678
72 HB2 PRO 12 HB2 PRO 11 2.497 -7.594 -1.413
73 HB3 PRO 12 HB3 PRO 11 3.787 -6.557 -0.767
74 HG2 PRO 12 HG2 PRO 11 1.468 -7.795 0.635
75 HG3 PRO 12 HG3 PRO 11 3.142 -7.585 1.181
76 HD2 PRO 12 HD2 PRO 11 1.106 -5.945 2.000
77 HD3 PRO 12 HD3 PRO 11 2.794 -5.398 1.862
78 H TRP 13 H TRP 12 -0.398 -5.979 -0.214
79 HA TRP 13 HA TRP 12 -1.502 -7.188 -2.584
80 HB2 TRP 13 HB2 TRP 12 -3.646 -7.140 -1.174
81 HB3 TRP 13 HB3 TRP 12 -2.314 -8.131 -0.586
82 HD1 TRP 13 HD1 TRP 12 -4.010 -4.748 0.031
83 HE1 TRP 13 HE1 TRP 12 -3.436 -3.962 2.415
84 HE3 TRP 13 HE3 TRP 12 -0.737 -8.414 1.393
85 HZ2 TRP 13 HZ2 TRP 12 -1.803 -4.785 4.615
86 HZ3 TRP 13 HZ3 TRP 12 0.306 -8.398 3.641
87 HH2 TRP 13 HH2 TRP 12 -0.223 -6.590 5.252
88 H ILE 14 H ILE 13 -0.858 -4.048 -1.966
89 HA ILE 14 HA ILE 13 -3.340 -3.072 -3.243
90 HB ILE 14 HB ILE 13 -1.229 -1.513 -1.770
91 HG12 ILE 14 HG12 ILE 13 -2.436 -3.053 -0.282
92 HG13 ILE 14 HG13 ILE 13 -2.814 -1.374 0.074
93 HG21 ILE 14 HG21 ILE 13 -3.925 -0.792 -2.913
94 HG22 ILE 14 HG22 ILE 13 -2.361 -0.099 -3.320
95 HG23 ILE 14 HG23 ILE 13 -3.075 0.214 -1.744
96 HD11 ILE 14 HD11 ILE 13 -4.855 -2.778 0.064
97 HD12 ILE 14 HD12 ILE 13 -4.535 -3.238 -1.602
98 HD13 ILE 14 HD13 ILE 13 -4.915 -1.561 -1.206
99 H ARG 15 H ARG 14 -3.145 -2.853 -5.370
100 HA ARG 15 HA ARG 14 -0.736 -2.836 -6.819
101 HB2 ARG 15 HB2 ARG 14 -2.111 -2.275 -8.736
102 HB3 ARG 15 HB3 ARG 14 -2.985 -3.430 -7.728
103 HG2 ARG 15 HG2 ARG 14 -4.221 -1.553 -6.677
104 HG3 ARG 15 HG3 ARG 14 -3.382 -0.421 -7.735
105 HD2 ARG 15 HD2 ARG 14 -5.085 -2.716 -8.720
106 HD3 ARG 15 HD3 ARG 14 -5.652 -1.056 -8.567
107 HE ARG 15 HE ARG 14 -3.320 -0.981 -10.091
108 HH11 ARG 15 HH11 ARG 14 -6.515 -2.361 -10.273
109 HH12 ARG 15 HH12 ARG 14 -6.577 -2.297 -11.999
110 HH21 ARG 15 HH21 ARG 14 -3.436 -0.894 -12.353
111 HH22 ARG 15 HH22 ARG 14 -4.849 -1.473 -13.172
112 H SER 16 H SER 15 -2.646 -0.269 -5.420
113 HA SER 16 HA SER 15 -1.497 1.900 -6.816
114 HB2 SER 16 HB2 SER 15 -2.737 1.782 -4.063
115 HB3 SER 16 HB3 SER 15 -2.334 3.265 -4.915
116 HG SER 16 HG SER 15 -3.929 2.916 -6.300
117 H CYS 17 H CYS 16 -0.575 0.167 -3.894
118 HA CYS 17 HA CYS 16 1.645 1.952 -3.315
119 HB2 CYS 17 HB2 CYS 16 0.338 -0.370 -2.023
120 HB3 CYS 17 HB3 CYS 16 2.026 -0.104 -1.642
121 HN1 NH2 18 HN1 NH2 102 1.160 -0.764 -5.355
122 HN2 NH2 18 HN2 NH2 102 2.796 -1.194 -5.548
Start of MODEL 14
1 H1 ACE 1 H1 ACE 0 -6.813 8.901 -5.698
2 H2 ACE 1 H2 ACE 0 -6.107 10.224 -6.625
3 H3 ACE 1 H3 ACE 0 -6.328 10.387 -4.884
4 H GLY 2 H1 GLY 1 -5.451 7.642 -4.329
5 HA2 GLY 2 HA2 GLY 1 -2.896 7.083 -5.358
6 HA3 GLY 2 HA3 GLY 1 -2.698 8.094 -3.928
7 H CYS 3 H CYS 2 -1.561 5.780 -3.594
8 HA CYS 3 HA CYS 2 -3.136 3.582 -2.871
9 HB2 CYS 3 HB2 CYS 2 -0.691 3.485 -3.254
10 HB3 CYS 3 HB3 CYS 2 -0.444 4.330 -1.724
11 HA PRO 4 HA PRO 3 -4.866 5.256 0.932
12 HB2 PRO 4 HB2 PRO 3 -5.986 2.974 1.931
13 HB3 PRO 4 HB3 PRO 3 -6.701 3.907 0.600
14 HG2 PRO 4 HG2 PRO 3 -5.075 1.413 0.504
15 HG3 PRO 4 HG3 PRO 3 -6.506 1.868 -0.439
16 HD2 PRO 4 HD2 PRO 3 -3.966 2.036 -1.439
17 HD3 PRO 4 HD3 PRO 3 -5.281 3.114 -1.959
18 H CYS 5 H CYS 4 -2.611 2.625 0.797
19 HA CYS 5 HA CYS 4 -2.157 2.503 3.658
20 HB2 CYS 5 HB2 CYS 4 -1.099 1.110 1.246
21 HB3 CYS 5 HB3 CYS 4 -0.083 1.142 2.690
22 H ILE 6 H ILE 5 -0.741 3.666 4.790
23 HA ILE 6 HA ILE 5 0.664 5.848 3.671
24 HB ILE 6 HB ILE 5 0.979 4.429 6.325
25 HG12 ILE 6 HG12 ILE 5 -0.291 7.094 5.638
26 HG13 ILE 6 HG13 ILE 5 -1.206 5.590 5.759
27 HG21 ILE 6 HG21 ILE 5 2.184 7.000 5.256
28 HG22 ILE 6 HG22 ILE 5 3.050 5.582 5.853
29 HG23 ILE 6 HG23 ILE 5 2.132 6.590 6.972
30 HD11 ILE 6 HD11 ILE 5 -0.454 5.302 8.082
31 HD12 ILE 6 HD12 ILE 5 -1.267 6.855 7.888
32 HD13 ILE 6 HD13 ILE 5 0.494 6.785 7.969
33 H TRP 7 H TRP 6 1.733 2.623 4.727
34 HA TRP 7 HA TRP 6 4.332 3.140 3.447
35 HB2 TRP 7 HB2 TRP 6 3.555 1.062 5.491
36 HB3 TRP 7 HB3 TRP 6 5.165 1.241 4.783
37 HD1 TRP 7 HD1 TRP 6 2.700 2.967 7.128
38 HE1 TRP 7 HE1 TRP 6 3.949 4.792 8.454
39 HE3 TRP 7 HE3 TRP 6 7.232 2.834 4.769
40 HZ2 TRP 7 HZ2 TRP 6 6.524 6.032 8.506
41 HZ3 TRP 7 HZ3 TRP 6 9.062 4.349 5.477
42 HH2 TRP 7 HH2 TRP 6 8.713 5.946 7.342
43 HA PRO 8 HA PRO 7 2.510 0.364 0.355
44 HB2 PRO 8 HB2 PRO 7 4.508 0.599 -1.503
45 HB3 PRO 8 HB3 PRO 7 3.227 1.803 -1.301
46 HG2 PRO 8 HG2 PRO 7 6.028 1.841 -0.295
47 HG3 PRO 8 HG3 PRO 7 5.054 3.150 -0.991
48 HD2 PRO 8 HD2 PRO 7 5.436 2.886 1.694
49 HD3 PRO 8 HD3 PRO 7 3.953 3.581 1.004
50 H GLU 9 H GLU 8 5.608 0.127 1.887
51 HA GLU 9 HA GLU 8 6.317 -2.440 0.838
52 HB2 GLU 9 HB2 GLU 8 8.082 -2.399 2.452
53 HB3 GLU 9 HB3 GLU 8 7.904 -0.755 1.841
54 HG2 GLU 9 HG2 GLU 8 6.357 -0.324 3.819
55 HG3 GLU 9 HG3 GLU 8 6.916 -1.864 4.471
56 H LEU 10 H LEU 9 4.152 -1.338 3.298
57 HA LEU 10 HA LEU 9 4.030 -4.003 4.541
58 HB2 LEU 10 HB2 LEU 9 2.708 -1.400 5.358
59 HB3 LEU 10 HB3 LEU 9 2.684 -2.909 6.276
60 HG LEU 10 HG LEU 9 5.187 -1.367 5.529
61 HD11 LEU 10 HD11 LEU 9 4.006 -0.106 7.188
62 HD12 LEU 10 HD12 LEU 9 5.270 -0.994 8.042
63 HD13 LEU 10 HD13 LEU 9 3.601 -1.563 8.098
64 HD21 LEU 10 HD21 LEU 9 6.173 -2.955 7.285
65 HD22 LEU 10 HD22 LEU 9 5.743 -3.685 5.738
66 HD23 LEU 10 HD23 LEU 9 4.682 -3.886 7.131
67 H CYS 11 H CYS 10 2.593 -2.378 2.023
68 HA CYS 11 HA CYS 10 0.145 -4.009 2.257
69 HB2 CYS 11 HB2 CYS 10 0.397 -1.150 1.315
70 HB3 CYS 11 HB3 CYS 10 -1.030 -2.145 1.043
71 HA PRO 12 HA PRO 11 2.502 -4.789 -1.702
72 HB2 PRO 12 HB2 PRO 11 2.597 -7.508 -1.414
73 HB3 PRO 12 HB3 PRO 11 3.828 -6.415 -0.747
74 HG2 PRO 12 HG2 PRO 11 1.522 -7.725 0.614
75 HG3 PRO 12 HG3 PRO 11 3.182 -7.483 1.186
76 HD2 PRO 12 HD2 PRO 11 1.108 -5.888 1.979
77 HD3 PRO 12 HD3 PRO 11 2.783 -5.299 1.848
78 H TRP 13 H TRP 12 -0.386 -5.949 -0.208
79 HA TRP 13 HA TRP 12 -1.466 -7.240 -2.547
80 HB2 TRP 13 HB2 TRP 12 -3.612 -7.200 -1.154
81 HB3 TRP 13 HB3 TRP 12 -2.263 -8.138 -0.519
82 HD1 TRP 13 HD1 TRP 12 -4.040 -4.770 -0.037
83 HE1 TRP 13 HE1 TRP 12 -3.523 -3.901 2.332
84 HE3 TRP 13 HE3 TRP 12 -0.713 -8.323 1.487
85 HZ2 TRP 13 HZ2 TRP 12 -1.907 -4.622 4.581
86 HZ3 TRP 13 HZ3 TRP 12 0.293 -8.215 3.748
87 HH2 TRP 13 HH2 TRP 12 -0.299 -6.372 5.295
88 H ILE 14 H ILE 13 -0.884 -4.071 -1.970
89 HA ILE 14 HA ILE 13 -3.366 -3.150 -3.284
90 HB ILE 14 HB ILE 13 -1.242 -1.534 -1.881
91 HG12 ILE 14 HG12 ILE 13 -2.430 -3.026 -0.325
92 HG13 ILE 14 HG13 ILE 13 -2.815 -1.335 -0.026
93 HG21 ILE 14 HG21 ILE 13 -3.060 0.210 -1.901
94 HG22 ILE 14 HG22 ILE 13 -3.968 -0.840 -2.987
95 HG23 ILE 14 HG23 ILE 13 -2.411 -0.184 -3.489
96 HD11 ILE 14 HD11 ILE 13 -4.848 -2.735 0.043
97 HD12 ILE 14 HD12 ILE 13 -4.535 -3.285 -1.603
98 HD13 ILE 14 HD13 ILE 13 -4.924 -1.590 -1.297
99 H ARG 15 H ARG 14 -3.230 -2.782 -5.396
100 HA ARG 15 HA ARG 14 -0.817 -2.928 -6.858
101 HB2 ARG 15 HB2 ARG 14 -2.175 -2.338 -8.776
102 HB3 ARG 15 HB3 ARG 14 -3.099 -3.433 -7.749
103 HG2 ARG 15 HG2 ARG 14 -4.236 -1.479 -6.723
104 HG3 ARG 15 HG3 ARG 14 -3.353 -0.411 -7.810
105 HD2 ARG 15 HD2 ARG 14 -5.200 -2.635 -8.709
106 HD3 ARG 15 HD3 ARG 14 -5.640 -0.930 -8.636
107 HE ARG 15 HE ARG 14 -3.322 -1.077 -10.159
108 HH11 ARG 15 HH11 ARG 14 -6.578 -2.310 -10.286
109 HH12 ARG 15 HH12 ARG 14 -6.624 -2.347 -12.017
110 HH21 ARG 15 HH21 ARG 14 -3.412 -1.130 -12.419
111 HH22 ARG 15 HH22 ARG 14 -4.845 -1.685 -13.217
112 H SER 16 H SER 15 -2.631 -0.256 -5.498
113 HA SER 16 HA SER 15 -1.383 1.845 -6.907
114 HB2 SER 16 HB2 SER 15 -3.454 2.160 -5.641
115 HB3 SER 16 HB3 SER 15 -2.592 1.849 -4.135
116 HG SER 16 HG SER 15 -2.847 4.137 -5.421
117 H CYS 17 H CYS 16 -0.608 0.283 -3.830
118 HA CYS 17 HA CYS 16 1.666 1.962 -3.293
119 HB2 CYS 17 HB2 CYS 16 0.344 -0.376 -2.030
120 HB3 CYS 17 HB3 CYS 16 2.031 -0.103 -1.629
121 HN1 NH2 18 HN1 NH2 102 1.158 -1.126 -4.944
122 HN2 NH2 18 HN2 NH2 102 2.798 -1.400 -5.309
Start of MODEL 15
1 H1 ACE 1 H1 ACE 0 -6.741 9.374 -4.206
2 H2 ACE 1 H2 ACE 0 -5.815 10.860 -3.989
3 H3 ACE 1 H3 ACE 0 -6.503 10.037 -2.589
4 H GLY 2 H1 GLY 1 -5.104 8.172 -5.164
5 HA2 GLY 2 HA2 GLY 1 -3.076 7.072 -5.372
6 HA3 GLY 2 HA3 GLY 1 -2.472 7.989 -3.994
7 H CYS 3 H CYS 2 -1.544 5.780 -3.570
8 HA CYS 3 HA CYS 2 -3.135 3.599 -2.860
9 HB2 CYS 3 HB2 CYS 2 -0.684 3.476 -3.228
10 HB3 CYS 3 HB3 CYS 2 -0.438 4.312 -1.693
11 HA PRO 4 HA PRO 3 -4.891 5.232 0.954
12 HB2 PRO 4 HB2 PRO 3 -5.976 2.898 1.896
13 HB3 PRO 4 HB3 PRO 3 -6.705 3.863 0.598
14 HG2 PRO 4 HG2 PRO 3 -5.049 1.396 0.421
15 HG3 PRO 4 HG3 PRO 3 -6.481 1.869 -0.512
16 HD2 PRO 4 HD2 PRO 3 -3.949 2.081 -1.480
17 HD3 PRO 4 HD3 PRO 3 -5.269 3.163 -1.973
18 H CYS 5 H CYS 4 -2.622 2.608 0.796
19 HA CYS 5 HA CYS 4 -2.173 2.499 3.662
20 HB2 CYS 5 HB2 CYS 4 -1.137 1.068 1.269
21 HB3 CYS 5 HB3 CYS 4 -0.112 1.113 2.704
22 H ILE 6 H ILE 5 -0.749 3.678 4.777
23 HA ILE 6 HA ILE 5 0.641 5.843 3.636
24 HB ILE 6 HB ILE 5 0.976 4.439 6.296
25 HG12 ILE 6 HG12 ILE 5 -0.296 7.106 5.625
26 HG13 ILE 6 HG13 ILE 5 -1.216 5.603 5.730
27 HG21 ILE 6 HG21 ILE 5 2.124 6.601 6.940
28 HG22 ILE 6 HG22 ILE 5 2.166 7.015 5.226
29 HG23 ILE 6 HG23 ILE 5 3.041 5.601 5.814
30 HD11 ILE 6 HD11 ILE 5 -0.202 5.318 8.067
31 HD12 ILE 6 HD12 ILE 5 -1.395 6.604 7.888
32 HD13 ILE 6 HD13 ILE 5 0.324 6.996 7.931
33 H TRP 7 H TRP 6 1.732 2.634 4.720
34 HA TRP 7 HA TRP 6 4.312 3.168 3.406
35 HB2 TRP 7 HB2 TRP 6 3.604 1.085 5.492
36 HB3 TRP 7 HB3 TRP 6 5.186 1.279 4.730
37 HD1 TRP 7 HD1 TRP 6 2.786 3.024 7.116
38 HE1 TRP 7 HE1 TRP 6 4.072 4.853 8.398
39 HE3 TRP 7 HE3 TRP 6 7.248 2.874 4.635
40 HZ2 TRP 7 HZ2 TRP 6 6.651 6.087 8.379
41 HZ3 TRP 7 HZ3 TRP 6 9.101 4.388 5.288
42 HH2 TRP 7 HH2 TRP 6 8.808 5.993 7.155
43 HA PRO 8 HA PRO 7 2.514 0.336 0.348
44 HB2 PRO 8 HB2 PRO 7 4.514 0.573 -1.510
45 HB3 PRO 8 HB3 PRO 7 3.251 1.798 -1.288
46 HG2 PRO 8 HG2 PRO 7 6.049 1.761 -0.254
47 HG3 PRO 8 HG3 PRO 7 5.127 3.098 -0.963
48 HD2 PRO 8 HD2 PRO 7 5.462 2.827 1.710
49 HD3 PRO 8 HD3 PRO 7 4.000 3.542 1.000
50 H GLU 9 H GLU 8 5.609 0.118 1.875
51 HA GLU 9 HA GLU 8 6.327 -2.450 0.843
52 HB2 GLU 9 HB2 GLU 8 8.090 -2.393 2.469
53 HB3 GLU 9 HB3 GLU 8 7.931 -0.769 1.798
54 HG2 GLU 9 HG2 GLU 8 6.433 -0.211 3.758
55 HG3 GLU 9 HG3 GLU 8 6.872 -1.773 4.446
56 H LEU 10 H LEU 9 4.115 -1.359 3.240
57 HA LEU 10 HA LEU 9 4.047 -4.004 4.533
58 HB2 LEU 10 HB2 LEU 9 2.661 -1.433 5.327
59 HB3 LEU 10 HB3 LEU 9 2.745 -2.918 6.276
60 HG LEU 10 HG LEU 9 5.130 -1.249 5.427
61 HD11 LEU 10 HD11 LEU 9 5.269 -0.539 7.715
62 HD12 LEU 10 HD12 LEU 9 3.983 -1.643 8.199
63 HD13 LEU 10 HD13 LEU 9 3.613 -0.246 7.186
64 HD21 LEU 10 HD21 LEU 9 6.303 -2.755 7.100
65 HD22 LEU 10 HD22 LEU 9 5.777 -3.564 5.624
66 HD23 LEU 10 HD23 LEU 9 4.849 -3.754 7.110
67 H CYS 11 H CYS 10 2.566 -2.333 2.034
68 HA CYS 11 HA CYS 10 0.147 -4.008 2.267
69 HB2 CYS 11 HB2 CYS 10 0.378 -1.133 1.366
70 HB3 CYS 11 HB3 CYS 10 -1.037 -2.134 1.055
71 HA PRO 12 HA PRO 11 2.466 -4.714 -1.727
72 HB2 PRO 12 HB2 PRO 11 2.613 -7.424 -1.497
73 HB3 PRO 12 HB3 PRO 11 3.823 -6.324 -0.804
74 HG2 PRO 12 HG2 PRO 11 1.534 -7.698 0.525
75 HG3 PRO 12 HG3 PRO 11 3.193 -7.461 1.100
76 HD2 PRO 12 HD2 PRO 11 1.113 -5.904 1.943
77 HD3 PRO 12 HD3 PRO 11 2.780 -5.293 1.819
78 H TRP 13 H TRP 12 -0.395 -5.902 -0.237
79 HA TRP 13 HA TRP 12 -1.468 -7.177 -2.599
80 HB2 TRP 13 HB2 TRP 12 -3.618 -7.164 -1.176
81 HB3 TRP 13 HB3 TRP 12 -2.263 -8.129 -0.594
82 HD1 TRP 13 HD1 TRP 12 -4.009 -4.775 0.019
83 HE1 TRP 13 HE1 TRP 12 -3.433 -3.974 2.396
84 HE3 TRP 13 HE3 TRP 12 -0.671 -8.386 1.364
85 HZ2 TRP 13 HZ2 TRP 12 -1.784 -4.777 4.594
86 HZ3 TRP 13 HZ3 TRP 12 0.386 -8.352 3.607
87 HH2 TRP 13 HH2 TRP 12 -0.167 -6.552 5.222
88 H ILE 14 H ILE 13 -0.890 -4.024 -1.986
89 HA ILE 14 HA ILE 13 -3.372 -3.086 -3.277
90 HB ILE 14 HB ILE 13 -1.261 -1.500 -1.806
91 HG12 ILE 14 HG12 ILE 13 -2.469 -3.049 -0.316
92 HG13 ILE 14 HG13 ILE 13 -2.851 -1.366 0.032
93 HG21 ILE 14 HG21 ILE 13 -3.958 -0.819 -2.964
94 HG22 ILE 14 HG22 ILE 13 -2.400 -0.096 -3.351
95 HG23 ILE 14 HG23 ILE 13 -3.140 0.203 -1.781
96 HD11 ILE 14 HD11 ILE 13 -4.562 -3.258 -1.628
97 HD12 ILE 14 HD12 ILE 13 -4.957 -1.573 -1.268
98 HD13 ILE 14 HD13 ILE 13 -4.897 -2.767 0.032
99 H ARG 15 H ARG 14 -3.151 -2.945 -5.396
100 HA ARG 15 HA ARG 14 -0.750 -2.964 -6.825
101 HB2 ARG 15 HB2 ARG 14 -2.093 -2.362 -8.757
102 HB3 ARG 15 HB3 ARG 14 -2.989 -3.512 -7.767
103 HG2 ARG 15 HG2 ARG 14 -4.137 -1.548 -6.670
104 HG3 ARG 15 HG3 ARG 14 -3.359 -0.508 -7.862
105 HD2 ARG 15 HD2 ARG 14 -5.590 -1.065 -8.641
106 HD3 ARG 15 HD3 ARG 14 -4.403 -1.857 -9.672
107 HE ARG 15 HE ARG 14 -5.175 -3.575 -7.542
108 HH11 ARG 15 HH11 ARG 14 -6.286 -2.211 -10.558
109 HH12 ARG 15 HH12 ARG 14 -7.334 -3.542 -10.914
110 HH21 ARG 15 HH21 ARG 14 -6.557 -5.310 -8.040
111 HH22 ARG 15 HH22 ARG 14 -7.486 -5.281 -9.503
112 H SER 16 H SER 15 -2.625 -0.310 -5.509
113 HA SER 16 HA SER 15 -1.374 1.801 -6.905
114 HB2 SER 16 HB2 SER 15 -3.476 2.097 -5.668
115 HB3 SER 16 HB3 SER 15 -2.631 1.807 -4.150
116 HG SER 16 HG SER 15 -2.872 4.076 -5.518
117 H CYS 17 H CYS 16 -0.587 0.170 -3.860
118 HA CYS 17 HA CYS 16 1.637 1.932 -3.290
119 HB2 CYS 17 HB2 CYS 16 0.350 -0.412 -2.008
120 HB3 CYS 17 HB3 CYS 16 2.036 -0.122 -1.618
121 HN1 NH2 18 HN1 NH2 102 1.205 -0.992 -5.142
122 HN2 NH2 18 HN2 NH2 102 2.858 -1.300 -5.399
Start of MODEL 16
1 H1 ACE 1 H1 ACE 0 -6.850 9.895 -3.686
2 H2 ACE 1 H2 ACE 0 -7.108 8.594 -4.848
3 H3 ACE 1 H3 ACE 0 -6.281 10.070 -5.346
4 H GLY 2 H1 GLY 1 -5.122 7.573 -5.751
5 HA2 GLY 2 HA2 GLY 1 -2.926 6.793 -5.603
6 HA3 GLY 2 HA3 GLY 1 -2.663 7.862 -4.224
7 H CYS 3 H CYS 2 -1.588 5.602 -3.720
8 HA CYS 3 HA CYS 2 -3.203 3.452 -2.890
9 HB2 CYS 3 HB2 CYS 2 -0.742 3.324 -3.311
10 HB3 CYS 3 HB3 CYS 2 -0.491 4.198 -1.797
11 HA PRO 4 HA PRO 3 -4.778 5.337 0.880
12 HB2 PRO 4 HB2 PRO 3 -5.955 3.148 1.998
13 HB3 PRO 4 HB3 PRO 3 -6.664 4.032 0.629
14 HG2 PRO 4 HG2 PRO 3 -5.094 1.496 0.637
15 HG3 PRO 4 HG3 PRO 3 -6.546 1.926 -0.288
16 HD2 PRO 4 HD2 PRO 3 -4.038 1.992 -1.368
17 HD3 PRO 4 HD3 PRO 3 -5.343 3.074 -1.902
18 H CYS 5 H CYS 4 -2.638 2.586 0.802
19 HA CYS 5 HA CYS 4 -2.128 2.511 3.639
20 HB2 CYS 5 HB2 CYS 4 -1.052 1.135 1.227
21 HB3 CYS 5 HB3 CYS 4 -0.042 1.175 2.673
22 H ILE 6 H ILE 5 -0.738 3.702 4.769
23 HA ILE 6 HA ILE 5 0.670 5.877 3.643
24 HB ILE 6 HB ILE 5 0.929 4.494 6.319
25 HG12 ILE 6 HG12 ILE 5 -0.321 7.151 5.567
26 HG13 ILE 6 HG13 ILE 5 -1.238 5.648 5.687
27 HG21 ILE 6 HG21 ILE 5 2.077 6.642 6.982
28 HG22 ILE 6 HG22 ILE 5 2.165 7.055 5.269
29 HG23 ILE 6 HG23 ILE 5 3.016 5.636 5.879
30 HD11 ILE 6 HD11 ILE 5 -1.454 6.762 7.807
31 HD12 ILE 6 HD12 ILE 5 0.283 7.056 7.895
32 HD13 ILE 6 HD13 ILE 5 -0.341 5.414 8.050
33 H TRP 7 H TRP 6 1.736 2.677 4.759
34 HA TRP 7 HA TRP 6 4.372 3.153 3.521
35 HB2 TRP 7 HB2 TRP 6 3.500 1.092 5.558
36 HB3 TRP 7 HB3 TRP 6 5.128 1.234 4.890
37 HD1 TRP 7 HD1 TRP 6 2.674 2.985 7.227
38 HE1 TRP 7 HE1 TRP 6 3.945 4.778 8.577
39 HE3 TRP 7 HE3 TRP 6 7.202 2.812 4.876
40 HZ2 TRP 7 HZ2 TRP 6 6.545 5.978 8.651
41 HZ3 TRP 7 HZ3 TRP 6 9.057 4.288 5.603
42 HH2 TRP 7 HH2 TRP 6 8.734 5.869 7.486
43 HA PRO 8 HA PRO 7 2.486 0.367 0.446
44 HB2 PRO 8 HB2 PRO 7 4.461 0.578 -1.436
45 HB3 PRO 8 HB3 PRO 7 3.186 1.791 -1.229
46 HG2 PRO 8 HG2 PRO 7 5.998 1.816 -0.244
47 HG3 PRO 8 HG3 PRO 7 5.034 3.125 -0.955
48 HD2 PRO 8 HD2 PRO 7 5.424 2.904 1.730
49 HD3 PRO 8 HD3 PRO 7 3.933 3.582 1.037
50 H GLU 9 H GLU 8 5.619 0.142 1.934
51 HA GLU 9 HA GLU 8 6.334 -2.408 0.870
52 HB2 GLU 9 HB2 GLU 8 8.086 -2.407 2.500
53 HB3 GLU 9 HB3 GLU 8 7.924 -0.751 1.920
54 HG2 GLU 9 HG2 GLU 8 6.411 -0.311 3.901
55 HG3 GLU 9 HG3 GLU 8 6.867 -1.903 4.507
56 H LEU 10 H LEU 9 4.163 -1.361 3.345
57 HA LEU 10 HA LEU 9 4.029 -4.044 4.538
58 HB2 LEU 10 HB2 LEU 9 2.685 -1.460 5.376
59 HB3 LEU 10 HB3 LEU 9 2.647 -2.984 6.267
60 HG LEU 10 HG LEU 9 5.168 -1.443 5.588
61 HD11 LEU 10 HD11 LEU 9 3.509 -1.619 8.110
62 HD12 LEU 10 HD12 LEU 9 3.969 -0.169 7.217
63 HD13 LEU 10 HD13 LEU 9 5.188 -1.079 8.108
64 HD21 LEU 10 HD21 LEU 9 5.682 -3.775 5.808
65 HD22 LEU 10 HD22 LEU 9 4.604 -3.949 7.193
66 HD23 LEU 10 HD23 LEU 9 6.105 -3.038 7.354
67 H CYS 11 H CYS 10 2.620 -2.412 2.005
68 HA CYS 11 HA CYS 10 0.171 -4.045 2.216
69 HB2 CYS 11 HB2 CYS 10 0.398 -1.199 1.220
70 HB3 CYS 11 HB3 CYS 10 -1.030 -2.209 1.039
71 HA PRO 12 HA PRO 11 2.536 -4.817 -1.725
72 HB2 PRO 12 HB2 PRO 11 2.602 -7.537 -1.459
73 HB3 PRO 12 HB3 PRO 11 3.836 -6.463 -0.766
74 HG2 PRO 12 HG2 PRO 11 1.499 -7.760 0.555
75 HG3 PRO 12 HG3 PRO 11 3.158 -7.545 1.148
76 HD2 PRO 12 HD2 PRO 11 1.093 -5.931 1.933
77 HD3 PRO 12 HD3 PRO 11 2.776 -5.362 1.828
78 H TRP 13 H TRP 12 -0.363 -6.005 -0.255
79 HA TRP 13 HA TRP 12 -1.439 -7.252 -2.615
80 HB2 TRP 13 HB2 TRP 12 -3.577 -7.265 -1.226
81 HB3 TRP 13 HB3 TRP 12 -2.211 -8.177 -0.586
82 HD1 TRP 13 HD1 TRP 12 -4.061 -4.849 -0.101
83 HE1 TRP 13 HE1 TRP 12 -3.608 -3.998 2.286
84 HE3 TRP 13 HE3 TRP 12 -0.670 -8.333 1.435
85 HZ2 TRP 13 HZ2 TRP 12 -2.019 -4.709 4.556
86 HZ3 TRP 13 HZ3 TRP 12 0.295 -8.229 3.714
87 HH2 TRP 13 HH2 TRP 12 -0.375 -6.424 5.276
88 H ILE 14 H ILE 13 -0.916 -4.067 -1.939
89 HA ILE 14 HA ILE 13 -3.399 -3.158 -3.259
90 HB ILE 14 HB ILE 13 -1.277 -1.539 -1.854
91 HG12 ILE 14 HG12 ILE 13 -2.449 -3.054 -0.298
92 HG13 ILE 14 HG13 ILE 13 -2.836 -1.366 0.013
93 HG21 ILE 14 HG21 ILE 13 -3.191 0.150 -1.841
94 HG22 ILE 14 HG22 ILE 13 -3.989 -0.900 -3.011
95 HG23 ILE 14 HG23 ILE 13 -2.439 -0.160 -3.405
96 HD11 ILE 14 HD11 ILE 13 -4.957 -1.614 -1.231
97 HD12 ILE 14 HD12 ILE 13 -4.862 -2.794 0.075
98 HD13 ILE 14 HD13 ILE 13 -4.560 -3.296 -1.584
99 H ARG 15 H ARG 14 -3.274 -2.760 -5.366
100 HA ARG 15 HA ARG 14 -0.877 -2.873 -6.854
101 HB2 ARG 15 HB2 ARG 14 -2.243 -2.223 -8.754
102 HB3 ARG 15 HB3 ARG 14 -3.148 -3.364 -7.757
103 HG2 ARG 15 HG2 ARG 14 -4.217 -1.379 -6.614
104 HG3 ARG 15 HG3 ARG 14 -3.458 -0.352 -7.828
105 HD2 ARG 15 HD2 ARG 14 -5.724 -0.868 -8.544
106 HD3 ARG 15 HD3 ARG 14 -4.587 -1.696 -9.606
107 HE ARG 15 HE ARG 14 -5.341 -3.355 -7.414
108 HH11 ARG 15 HH11 ARG 14 -6.450 -2.097 -10.468
109 HH12 ARG 15 HH12 ARG 14 -7.505 -3.432 -10.769
110 HH21 ARG 15 HH21 ARG 14 -6.727 -5.083 -7.827
111 HH22 ARG 15 HH22 ARG 14 -7.664 -5.116 -9.283
112 H SER 16 H SER 15 -2.663 -0.202 -5.453
113 HA SER 16 HA SER 15 -1.408 1.910 -6.858
114 HB2 SER 16 HB2 SER 15 -2.703 1.821 -4.131
115 HB3 SER 16 HB3 SER 15 -2.196 3.303 -4.939
116 HG SER 16 HG SER 15 -4.137 1.407 -5.759
117 H CYS 17 H CYS 16 -0.611 0.233 -3.856
118 HA CYS 17 HA CYS 16 1.648 1.934 -3.262
119 HB2 CYS 17 HB2 CYS 16 0.372 -0.468 -2.058
120 HB3 CYS 17 HB3 CYS 16 2.041 -0.140 -1.640
121 HN1 NH2 18 HN1 NH2 102 1.143 -1.009 -5.107
122 HN2 NH2 18 HN2 NH2 102 2.787 -1.311 -5.428
Start of MODEL 17
1 H1 ACE 1 H1 ACE 0 -7.343 8.181 -4.958
2 H2 ACE 1 H2 ACE 0 -6.994 8.404 -6.673
3 H3 ACE 1 H3 ACE 0 -6.388 9.565 -5.492
4 H GLY 2 H1 GLY 1 -4.717 8.878 -4.020
5 HA2 GLY 2 HA2 GLY 1 -2.807 7.104 -5.281
6 HA3 GLY 2 HA3 GLY 1 -2.547 8.065 -3.827
7 H CYS 3 H CYS 2 -1.489 5.749 -3.505
8 HA CYS 3 HA CYS 2 -3.115 3.564 -2.861
9 HB2 CYS 3 HB2 CYS 2 -0.657 3.459 -3.231
10 HB3 CYS 3 HB3 CYS 2 -0.431 4.215 -1.652
11 HA PRO 4 HA PRO 3 -4.929 5.112 0.944
12 HB2 PRO 4 HB2 PRO 3 -5.874 2.719 1.932
13 HB3 PRO 4 HB3 PRO 3 -6.703 3.681 0.691
14 HG2 PRO 4 HG2 PRO 3 -4.984 1.271 0.386
15 HG3 PRO 4 HG3 PRO 3 -6.465 1.725 -0.479
16 HD2 PRO 4 HD2 PRO 3 -3.992 2.031 -1.577
17 HD3 PRO 4 HD3 PRO 3 -5.341 3.125 -1.951
18 H CYS 5 H CYS 4 -2.566 2.548 0.822
19 HA CYS 5 HA CYS 4 -2.080 2.556 3.686
20 HB2 CYS 5 HB2 CYS 4 -0.900 1.119 1.331
21 HB3 CYS 5 HB3 CYS 4 -0.062 1.119 2.881
22 H ILE 6 H ILE 5 -0.687 3.818 4.727
23 HA ILE 6 HA ILE 5 0.700 5.936 3.470
24 HB ILE 6 HB ILE 5 1.020 4.682 6.209
25 HG12 ILE 6 HG12 ILE 5 -0.249 7.302 5.362
26 HG13 ILE 6 HG13 ILE 5 -1.166 5.808 5.567
27 HG21 ILE 6 HG21 ILE 5 2.167 6.882 6.723
28 HG22 ILE 6 HG22 ILE 5 2.228 7.179 4.986
29 HG23 ILE 6 HG23 ILE 5 3.089 5.804 5.676
30 HD11 ILE 6 HD11 ILE 5 0.455 7.242 7.687
31 HD12 ILE 6 HD12 ILE 5 -0.283 5.655 7.908
32 HD13 ILE 6 HD13 ILE 5 -1.299 7.069 7.634
33 H TRP 7 H TRP 6 1.773 2.776 4.707
34 HA TRP 7 HA TRP 6 4.382 3.225 3.418
35 HB2 TRP 7 HB2 TRP 6 3.563 1.237 5.543
36 HB3 TRP 7 HB3 TRP 6 5.178 1.365 4.839
37 HD1 TRP 7 HD1 TRP 6 2.702 3.282 7.034
38 HE1 TRP 7 HE1 TRP 6 3.979 5.116 8.320
39 HE3 TRP 7 HE3 TRP 6 7.307 2.835 4.869
40 HZ2 TRP 7 HZ2 TRP 6 6.603 6.242 8.418
41 HZ3 TRP 7 HZ3 TRP 6 9.177 4.301 5.578
42 HH2 TRP 7 HH2 TRP 6 8.831 6.002 7.351
43 HA PRO 8 HA PRO 7 2.514 0.358 0.418
44 HB2 PRO 8 HB2 PRO 7 4.505 0.521 -1.455
45 HB3 PRO 8 HB3 PRO 7 3.224 1.736 -1.286
46 HG2 PRO 8 HG2 PRO 7 6.033 1.795 -0.281
47 HG3 PRO 8 HG3 PRO 7 5.074 3.082 -1.035
48 HD2 PRO 8 HD2 PRO 7 5.438 2.940 1.655
49 HD3 PRO 8 HD3 PRO 7 3.947 3.585 0.934
50 H GLU 9 H GLU 8 5.625 0.138 1.938
51 HA GLU 9 HA GLU 8 6.330 -2.444 0.937
52 HB2 GLU 9 HB2 GLU 8 8.051 -2.402 2.613
53 HB3 GLU 9 HB3 GLU 8 7.914 -0.777 1.942
54 HG2 GLU 9 HG2 GLU 8 6.356 -0.224 3.858
55 HG3 GLU 9 HG3 GLU 8 6.795 -1.778 4.567
56 H LEU 10 H LEU 9 4.072 -1.343 3.302
57 HA LEU 10 HA LEU 9 3.954 -3.989 4.586
58 HB2 LEU 10 HB2 LEU 9 2.557 -1.408 5.334
59 HB3 LEU 10 HB3 LEU 9 2.575 -2.898 6.280
60 HG LEU 10 HG LEU 9 5.024 -1.276 5.529
61 HD11 LEU 10 HD11 LEU 9 3.821 -1.642 8.278
62 HD12 LEU 10 HD12 LEU 9 3.411 -0.274 7.242
63 HD13 LEU 10 HD13 LEU 9 5.075 -0.505 7.780
64 HD21 LEU 10 HD21 LEU 9 4.617 -3.789 7.171
65 HD22 LEU 10 HD22 LEU 9 6.076 -2.805 7.288
66 HD23 LEU 10 HD23 LEU 9 5.653 -3.579 5.760
67 H CYS 11 H CYS 10 2.531 -2.375 2.025
68 HA CYS 11 HA CYS 10 0.115 -4.059 2.224
69 HB2 CYS 11 HB2 CYS 10 0.320 -1.193 1.284
70 HB3 CYS 11 HB3 CYS 10 -1.079 -2.219 0.983
71 HA PRO 12 HA PRO 11 2.527 -4.789 -1.705
72 HB2 PRO 12 HB2 PRO 11 2.619 -7.519 -1.420
73 HB3 PRO 12 HB3 PRO 11 3.859 -6.418 -0.783
74 HG2 PRO 12 HG2 PRO 11 1.610 -7.759 0.630
75 HG3 PRO 12 HG3 PRO 11 3.264 -7.436 1.179
76 HD2 PRO 12 HD2 PRO 11 1.111 -5.919 1.953
77 HD3 PRO 12 HD3 PRO 11 2.771 -5.281 1.844
78 H TRP 13 H TRP 12 -0.378 -5.990 -0.281
79 HA TRP 13 HA TRP 12 -1.393 -7.247 -2.680
80 HB2 TRP 13 HB2 TRP 12 -3.566 -7.289 -1.310
81 HB3 TRP 13 HB3 TRP 12 -2.211 -8.249 -0.723
82 HD1 TRP 13 HD1 TRP 12 -4.053 -4.956 -0.036
83 HE1 TRP 13 HE1 TRP 12 -3.535 -4.214 2.376
84 HE3 TRP 13 HE3 TRP 12 -0.611 -8.494 1.239
85 HZ2 TRP 13 HZ2 TRP 12 -1.871 -5.019 4.561
86 HZ3 TRP 13 HZ3 TRP 12 0.422 -8.491 3.491
87 HH2 TRP 13 HH2 TRP 12 -0.203 -6.760 5.153
88 H ILE 14 H ILE 13 -0.882 -4.097 -2.049
89 HA ILE 14 HA ILE 13 -3.387 -3.201 -3.332
90 HB ILE 14 HB ILE 13 -1.307 -1.574 -1.858
91 HG12 ILE 14 HG12 ILE 13 -2.582 -3.177 -0.409
92 HG13 ILE 14 HG13 ILE 13 -2.832 -1.479 -0.002
93 HG21 ILE 14 HG21 ILE 13 -3.228 0.110 -1.855
94 HG22 ILE 14 HG22 ILE 13 -3.995 -0.916 -3.067
95 HG23 ILE 14 HG23 ILE 13 -2.436 -0.165 -3.404
96 HD11 ILE 14 HD11 ILE 13 -4.938 -2.915 -0.075
97 HD12 ILE 14 HD12 ILE 13 -4.710 -3.020 -1.822
98 HD13 ILE 14 HD13 ILE 13 -4.984 -1.453 -1.064
99 H ARG 15 H ARG 14 -3.258 -2.776 -5.436
100 HA ARG 15 HA ARG 14 -0.852 -2.830 -6.908
101 HB2 ARG 15 HB2 ARG 14 -2.218 -2.174 -8.802
102 HB3 ARG 15 HB3 ARG 14 -3.124 -3.326 -7.820
103 HG2 ARG 15 HG2 ARG 14 -4.301 -1.441 -6.718
104 HG3 ARG 15 HG3 ARG 14 -3.423 -0.307 -7.741
105 HD2 ARG 15 HD2 ARG 14 -5.226 -2.508 -8.777
106 HD3 ARG 15 HD3 ARG 14 -5.703 -0.820 -8.605
107 HE ARG 15 HE ARG 14 -3.368 -0.848 -10.122
108 HH11 ARG 15 HH11 ARG 14 -6.627 -2.065 -10.343
109 HH12 ARG 15 HH12 ARG 14 -6.670 -1.977 -12.071
110 HH21 ARG 15 HH21 ARG 14 -3.456 -0.737 -12.381
111 HH22 ARG 15 HH22 ARG 14 -4.890 -1.230 -13.218
112 H SER 16 H SER 15 -2.662 -0.226 -5.428
113 HA SER 16 HA SER 15 -1.430 1.925 -6.785
114 HB2 SER 16 HB2 SER 15 -2.715 1.786 -4.056
115 HB3 SER 16 HB3 SER 15 -2.210 3.281 -4.839
116 HG SER 16 HG SER 15 -3.593 2.675 -6.596
117 H CYS 17 H CYS 16 -0.599 0.172 -3.836
118 HA CYS 17 HA CYS 16 1.669 1.869 -3.244
119 HB2 CYS 17 HB2 CYS 16 0.379 -0.519 -2.020
120 HB3 CYS 17 HB3 CYS 16 2.056 -0.183 -1.605
121 HN1 NH2 18 HN1 NH2 102 1.120 -1.056 -5.096
122 HN2 NH2 18 HN2 NH2 102 2.757 -1.387 -5.418
Start of MODEL 18
1 H1 ACE 1 H1 ACE 0 -6.558 9.867 -2.692
2 H2 ACE 1 H2 ACE 0 -6.595 9.447 -4.404
3 H3 ACE 1 H3 ACE 0 -5.743 10.896 -3.869
4 H GLY 2 H1 GLY 1 -4.974 8.222 -5.242
5 HA2 GLY 2 HA2 GLY 1 -2.944 7.124 -5.410
6 HA3 GLY 2 HA3 GLY 1 -2.384 8.012 -3.994
7 H CYS 3 H CYS 2 -1.461 5.800 -3.545
8 HA CYS 3 HA CYS 2 -3.095 3.611 -2.902
9 HB2 CYS 3 HB2 CYS 2 -0.641 3.493 -3.259
10 HB3 CYS 3 HB3 CYS 2 -0.405 4.280 -1.695
11 HA PRO 4 HA PRO 3 -4.872 5.243 0.894
12 HB2 PRO 4 HB2 PRO 3 -5.968 2.925 1.863
13 HB3 PRO 4 HB3 PRO 3 -6.697 3.884 0.560
14 HG2 PRO 4 HG2 PRO 3 -5.045 1.410 0.395
15 HG3 PRO 4 HG3 PRO 3 -6.491 1.868 -0.527
16 HD2 PRO 4 HD2 PRO 3 -3.982 2.087 -1.556
17 HD3 PRO 4 HD3 PRO 3 -5.298 3.192 -2.007
18 H CYS 5 H CYS 4 -2.604 2.609 0.765
19 HA CYS 5 HA CYS 4 -2.174 2.506 3.632
20 HB2 CYS 5 HB2 CYS 4 -1.154 1.063 1.249
21 HB3 CYS 5 HB3 CYS 4 -0.078 1.151 2.647
22 H ILE 6 H ILE 5 -0.763 3.687 4.765
23 HA ILE 6 HA ILE 5 0.648 5.851 3.634
24 HB ILE 6 HB ILE 5 0.945 4.456 6.305
25 HG12 ILE 6 HG12 ILE 5 -0.322 7.113 5.580
26 HG13 ILE 6 HG13 ILE 5 -1.235 5.609 5.712
27 HG21 ILE 6 HG21 ILE 5 2.144 7.031 5.242
28 HG22 ILE 6 HG22 ILE 5 3.020 5.615 5.824
29 HG23 ILE 6 HG23 ILE 5 2.098 6.608 6.953
30 HD11 ILE 6 HD11 ILE 5 -0.501 5.349 8.043
31 HD12 ILE 6 HD12 ILE 5 -1.318 6.897 7.823
32 HD13 ILE 6 HD13 ILE 5 0.443 6.833 7.921
33 H TRP 7 H TRP 6 1.710 2.632 4.725
34 HA TRP 7 HA TRP 6 4.319 3.134 3.456
35 HB2 TRP 7 HB2 TRP 6 3.514 1.088 5.535
36 HB3 TRP 7 HB3 TRP 6 5.127 1.241 4.829
37 HD1 TRP 7 HD1 TRP 6 2.682 3.028 7.147
38 HE1 TRP 7 HE1 TRP 6 3.945 4.869 8.437
39 HE3 TRP 7 HE3 TRP 6 7.201 2.823 4.781
40 HZ2 TRP 7 HZ2 TRP 6 6.528 6.094 8.461
41 HZ3 TRP 7 HZ3 TRP 6 9.045 4.334 5.458
42 HH2 TRP 7 HH2 TRP 6 8.713 5.968 7.295
43 HA PRO 8 HA PRO 7 2.488 0.321 0.390
44 HB2 PRO 8 HB2 PRO 7 4.489 0.527 -1.467
45 HB3 PRO 8 HB3 PRO 7 3.218 1.744 -1.278
46 HG2 PRO 8 HG2 PRO 7 6.010 1.756 -0.237
47 HG3 PRO 8 HG3 PRO 7 5.075 3.067 -0.982
48 HD2 PRO 8 HD2 PRO 7 5.397 2.883 1.699
49 HD3 PRO 8 HD3 PRO 7 3.912 3.536 0.970
50 H GLU 9 H GLU 8 5.631 0.111 1.878
51 HA GLU 9 HA GLU 8 6.332 -2.461 0.855
52 HB2 GLU 9 HB2 GLU 8 8.087 -2.426 2.493
53 HB3 GLU 9 HB3 GLU 8 7.928 -0.790 1.858
54 HG2 GLU 9 HG2 GLU 8 6.434 -0.258 3.811
55 HG3 GLU 9 HG3 GLU 8 6.827 -1.845 4.471
56 H LEU 10 H LEU 9 4.168 -1.358 3.318
57 HA LEU 10 HA LEU 9 4.036 -4.016 4.568
58 HB2 LEU 10 HB2 LEU 9 2.665 -1.430 5.351
59 HB3 LEU 10 HB3 LEU 9 2.685 -2.927 6.288
60 HG LEU 10 HG LEU 9 5.132 -1.305 5.529
61 HD11 LEU 10 HD11 LEU 9 3.797 -0.152 7.210
62 HD12 LEU 10 HD12 LEU 9 5.235 -0.831 7.969
63 HD13 LEU 10 HD13 LEU 9 3.673 -1.629 8.165
64 HD21 LEU 10 HD21 LEU 9 6.200 -2.860 7.251
65 HD22 LEU 10 HD22 LEU 9 5.755 -3.615 5.722
66 HD23 LEU 10 HD23 LEU 9 4.737 -3.837 7.142
67 H CYS 11 H CYS 10 2.587 -2.342 2.052
68 HA CYS 11 HA CYS 10 0.163 -4.018 2.241
69 HB2 CYS 11 HB2 CYS 10 0.367 -1.149 1.306
70 HB3 CYS 11 HB3 CYS 10 -1.055 -2.164 1.097
71 HA PRO 12 HA PRO 11 2.535 -4.668 -1.725
72 HB2 PRO 12 HB2 PRO 11 2.691 -7.388 -1.502
73 HB3 PRO 12 HB3 PRO 11 3.896 -6.283 -0.805
74 HG2 PRO 12 HG2 PRO 11 1.620 -7.680 0.519
75 HG3 PRO 12 HG3 PRO 11 3.273 -7.408 1.100
76 HD2 PRO 12 HD2 PRO 11 1.150 -5.886 1.918
77 HD3 PRO 12 HD3 PRO 11 2.814 -5.256 1.819
78 H TRP 13 H TRP 12 -0.329 -5.921 -0.260
79 HA TRP 13 HA TRP 12 -1.381 -7.176 -2.637
80 HB2 TRP 13 HB2 TRP 12 -3.521 -7.247 -1.243
81 HB3 TRP 13 HB3 TRP 12 -2.140 -8.147 -0.620
82 HD1 TRP 13 HD1 TRP 12 -4.031 -4.851 -0.085
83 HE1 TRP 13 HE1 TRP 12 -3.565 -4.013 2.305
84 HE3 TRP 13 HE3 TRP 12 -0.601 -8.319 1.399
85 HZ2 TRP 13 HZ2 TRP 12 -1.948 -4.725 4.555
86 HZ3 TRP 13 HZ3 TRP 12 0.385 -8.222 3.672
87 HH2 TRP 13 HH2 TRP 12 -0.286 -6.430 5.250
88 H ILE 14 H ILE 13 -0.906 -4.001 -1.929
89 HA ILE 14 HA ILE 13 -3.401 -3.109 -3.228
90 HB ILE 14 HB ILE 13 -1.290 -1.491 -1.795
91 HG12 ILE 14 HG12 ILE 13 -2.504 -3.035 -0.286
92 HG13 ILE 14 HG13 ILE 13 -2.839 -1.346 0.067
93 HG21 ILE 14 HG21 ILE 13 -3.994 -0.808 -2.950
94 HG22 ILE 14 HG22 ILE 13 -2.435 -0.098 -3.356
95 HG23 ILE 14 HG23 ILE 13 -3.164 0.221 -1.786
96 HD11 ILE 14 HD11 ILE 13 -4.900 -2.750 0.083
97 HD12 ILE 14 HD12 ILE 13 -4.621 -3.150 -1.607
98 HD13 ILE 14 HD13 ILE 13 -4.969 -1.484 -1.140
99 H ARG 15 H ARG 14 -3.226 -2.929 -5.363
100 HA ARG 15 HA ARG 14 -0.857 -2.935 -6.842
101 HB2 ARG 15 HB2 ARG 14 -2.240 -2.339 -8.741
102 HB3 ARG 15 HB3 ARG 14 -3.140 -3.455 -7.716
103 HG2 ARG 15 HG2 ARG 14 -4.298 -1.532 -6.662
104 HG3 ARG 15 HG3 ARG 14 -3.433 -0.436 -7.736
105 HD2 ARG 15 HD2 ARG 14 -5.262 -2.663 -8.661
106 HD3 ARG 15 HD3 ARG 14 -5.717 -0.963 -8.556
107 HE ARG 15 HE ARG 14 -3.394 -1.087 -10.090
108 HH11 ARG 15 HH11 ARG 14 -6.680 -2.245 -10.232
109 HH12 ARG 15 HH12 ARG 14 -6.734 -2.235 -11.960
110 HH21 ARG 15 HH21 ARG 14 -3.490 -1.088 -12.350
111 HH22 ARG 15 HH22 ARG 14 -4.941 -1.584 -13.155
112 H SER 16 H SER 15 -2.668 -0.282 -5.445
113 HA SER 16 HA SER 15 -1.428 1.816 -6.875
114 HB2 SER 16 HB2 SER 15 -3.505 2.129 -5.594
115 HB3 SER 16 HB3 SER 15 -2.620 1.859 -4.094
116 HG SER 16 HG SER 15 -2.907 4.114 -5.427
117 H CYS 17 H CYS 16 -0.611 0.168 -3.859
118 HA CYS 17 HA CYS 16 1.653 1.885 -3.302
119 HB2 CYS 17 HB2 CYS 16 0.357 -0.467 -2.035
120 HB3 CYS 17 HB3 CYS 16 2.033 -0.166 -1.638
121 HN1 NH2 18 HN1 NH2 102 1.141 -1.232 -4.905
122 HN2 NH2 18 HN2 NH2 102 2.775 -1.484 -5.310
Start of MODEL 19
1 H1 ACE 1 H1 ACE 0 -6.683 9.230 -5.997
2 H2 ACE 1 H2 ACE 0 -5.845 10.781 -5.941
3 H3 ACE 1 H3 ACE 0 -6.326 9.984 -4.443
4 H GLY 2 H1 GLY 1 -5.371 7.726 -4.152
5 HA2 GLY 2 HA2 GLY 1 -3.054 6.887 -5.508
6 HA3 GLY 2 HA3 GLY 1 -2.561 7.880 -4.138
7 H CYS 3 H CYS 2 -1.560 5.674 -3.645
8 HA CYS 3 HA CYS 2 -3.154 3.513 -2.858
9 HB2 CYS 3 HB2 CYS 2 -0.707 3.384 -3.278
10 HB3 CYS 3 HB3 CYS 2 -0.445 4.232 -1.751
11 HA PRO 4 HA PRO 3 -4.816 5.272 0.932
12 HB2 PRO 4 HB2 PRO 3 -5.955 3.012 1.966
13 HB3 PRO 4 HB3 PRO 3 -6.672 3.944 0.636
14 HG2 PRO 4 HG2 PRO 3 -5.082 1.427 0.544
15 HG3 PRO 4 HG3 PRO 3 -6.517 1.896 -0.389
16 HD2 PRO 4 HD2 PRO 3 -3.982 2.014 -1.407
17 HD3 PRO 4 HD3 PRO 3 -5.287 3.104 -1.929
18 H CYS 5 H CYS 4 -2.575 2.630 0.801
19 HA CYS 5 HA CYS 4 -2.102 2.537 3.660
20 HB2 CYS 5 HB2 CYS 4 -0.964 1.157 1.262
21 HB3 CYS 5 HB3 CYS 4 -0.076 1.125 2.785
22 H ILE 6 H ILE 5 -0.709 3.738 4.763
23 HA ILE 6 HA ILE 5 0.694 5.897 3.610
24 HB ILE 6 HB ILE 5 1.000 4.527 6.291
25 HG12 ILE 6 HG12 ILE 5 -0.263 7.180 5.557
26 HG13 ILE 6 HG13 ILE 5 -1.180 5.680 5.697
27 HG21 ILE 6 HG21 ILE 5 2.191 7.107 5.223
28 HG22 ILE 6 HG22 ILE 5 3.077 5.687 5.778
29 HG23 ILE 6 HG23 ILE 5 2.166 6.663 6.930
30 HD11 ILE 6 HD11 ILE 5 -0.447 5.428 8.029
31 HD12 ILE 6 HD12 ILE 5 -1.246 6.984 7.805
32 HD13 ILE 6 HD13 ILE 5 0.514 6.901 7.899
33 H TRP 7 H TRP 6 1.764 2.699 4.733
34 HA TRP 7 HA TRP 6 4.354 3.198 3.434
35 HB2 TRP 7 HB2 TRP 6 3.605 1.162 5.523
36 HB3 TRP 7 HB3 TRP 6 5.207 1.331 4.799
37 HD1 TRP 7 HD1 TRP 6 2.747 3.117 7.108
38 HE1 TRP 7 HE1 TRP 6 4.001 4.965 8.393
39 HE3 TRP 7 HE3 TRP 6 7.279 2.899 4.768
40 HZ2 TRP 7 HZ2 TRP 6 6.585 6.191 8.426
41 HZ3 TRP 7 HZ3 TRP 6 9.120 4.420 5.444
42 HH2 TRP 7 HH2 TRP 6 8.777 6.063 7.269
43 HA PRO 8 HA PRO 7 2.495 0.351 0.406
44 HB2 PRO 8 HB2 PRO 7 4.487 0.542 -1.465
45 HB3 PRO 8 HB3 PRO 7 3.213 1.758 -1.275
46 HG2 PRO 8 HG2 PRO 7 6.016 1.786 -0.261
47 HG3 PRO 8 HG3 PRO 7 5.067 3.088 -1.002
48 HD2 PRO 8 HD2 PRO 7 5.422 2.910 1.679
49 HD3 PRO 8 HD3 PRO 7 3.934 3.568 0.962
50 H GLU 9 H GLU 8 5.604 0.120 1.920
51 HA GLU 9 HA GLU 8 6.303 -2.456 0.902
52 HB2 GLU 9 HB2 GLU 8 8.050 -2.417 2.530
53 HB3 GLU 9 HB3 GLU 8 7.877 -0.767 1.933
54 HG2 GLU 9 HG2 GLU 8 6.357 -0.307 3.893
55 HG3 GLU 9 HG3 GLU 8 6.794 -1.895 4.522
56 H LEU 10 H LEU 9 4.089 -1.345 3.306
57 HA LEU 10 HA LEU 9 3.957 -3.993 4.575
58 HB2 LEU 10 HB2 LEU 9 2.590 -1.396 5.334
59 HB3 LEU 10 HB3 LEU 9 2.594 -2.888 6.279
60 HG LEU 10 HG LEU 9 5.062 -1.297 5.524
61 HD11 LEU 10 HD11 LEU 9 3.475 -1.507 8.090
62 HD12 LEU 10 HD12 LEU 9 3.860 -0.050 7.174
63 HD13 LEU 10 HD13 LEU 9 5.133 -0.910 8.038
64 HD21 LEU 10 HD21 LEU 9 6.090 -2.843 7.289
65 HD22 LEU 10 HD22 LEU 9 5.676 -3.597 5.748
66 HD23 LEU 10 HD23 LEU 9 4.623 -3.814 7.147
67 H CYS 11 H CYS 10 2.548 -2.372 2.019
68 HA CYS 11 HA CYS 10 0.115 -4.031 2.222
69 HB2 CYS 11 HB2 CYS 10 0.366 -1.168 1.289
70 HB3 CYS 11 HB3 CYS 10 -1.042 -2.170 0.959
71 HA PRO 12 HA PRO 11 2.552 -4.777 -1.702
72 HB2 PRO 12 HB2 PRO 11 2.678 -7.495 -1.412
73 HB3 PRO 12 HB3 PRO 11 3.887 -6.383 -0.737
74 HG2 PRO 12 HG2 PRO 11 1.589 -7.727 0.607
75 HG3 PRO 12 HG3 PRO 11 3.239 -7.450 1.196
76 HD2 PRO 12 HD2 PRO 11 1.126 -5.895 1.961
77 HD3 PRO 12 HD3 PRO 11 2.791 -5.274 1.849
78 H TRP 13 H TRP 12 -0.343 -5.966 -0.264
79 HA TRP 13 HA TRP 12 -1.352 -7.244 -2.648
80 HB2 TRP 13 HB2 TRP 12 -3.505 -7.334 -1.266
81 HB3 TRP 13 HB3 TRP 12 -2.123 -8.240 -0.654
82 HD1 TRP 13 HD1 TRP 12 -4.043 -4.975 -0.071
83 HE1 TRP 13 HE1 TRP 12 -3.569 -4.158 2.325
84 HE3 TRP 13 HE3 TRP 12 -0.567 -8.425 1.350
85 HZ2 TRP 13 HZ2 TRP 12 -1.934 -4.884 4.557
86 HZ3 TRP 13 HZ3 TRP 12 0.428 -8.347 3.620
87 HH2 TRP 13 HH2 TRP 12 -0.252 -6.583 5.223
88 H ILE 14 H ILE 13 -0.825 -4.105 -2.080
89 HA ILE 14 HA ILE 13 -3.357 -3.217 -3.325
90 HB ILE 14 HB ILE 13 -1.284 -1.586 -1.855
91 HG12 ILE 14 HG12 ILE 13 -2.534 -3.174 -0.395
92 HG13 ILE 14 HG13 ILE 13 -2.830 -1.481 -0.008
93 HG21 ILE 14 HG21 ILE 13 -3.171 0.109 -1.856
94 HG22 ILE 14 HG22 ILE 13 -3.981 -0.923 -3.035
95 HG23 ILE 14 HG23 ILE 13 -2.424 -0.196 -3.421
96 HD11 ILE 14 HD11 ILE 13 -4.660 -3.143 -1.777
97 HD12 ILE 14 HD12 ILE 13 -4.976 -1.535 -1.132
98 HD13 ILE 14 HD13 ILE 13 -4.905 -2.921 -0.046
99 H ARG 15 H ARG 14 -3.248 -2.787 -5.414
100 HA ARG 15 HA ARG 14 -0.856 -2.838 -6.908
101 HB2 ARG 15 HB2 ARG 14 -2.236 -2.204 -8.790
102 HB3 ARG 15 HB3 ARG 14 -3.142 -3.342 -7.792
103 HG2 ARG 15 HG2 ARG 14 -4.303 -1.440 -6.704
104 HG3 ARG 15 HG3 ARG 14 -3.430 -0.320 -7.746
105 HD2 ARG 15 HD2 ARG 14 -5.255 -2.523 -8.730
106 HD3 ARG 15 HD3 ARG 14 -5.703 -0.825 -8.600
107 HE ARG 15 HE ARG 14 -3.380 -0.912 -10.121
108 HH11 ARG 15 HH11 ARG 14 -6.642 -2.140 -10.295
109 HH12 ARG 15 HH12 ARG 14 -6.683 -2.119 -12.024
110 HH21 ARG 15 HH21 ARG 14 -3.468 -0.898 -12.384
111 HH22 ARG 15 HH22 ARG 14 -4.904 -1.422 -13.198
112 H SER 16 H SER 15 -2.680 -0.237 -5.431
113 HA SER 16 HA SER 15 -1.467 1.917 -6.797
114 HB2 SER 16 HB2 SER 15 -2.735 1.770 -4.061
115 HB3 SER 16 HB3 SER 15 -2.243 3.268 -4.844
116 HG SER 16 HG SER 15 -4.205 3.126 -5.630
117 H CYS 17 H CYS 16 -0.610 0.182 -3.848
118 HA CYS 17 HA CYS 16 1.659 1.889 -3.285
119 HB2 CYS 17 HB2 CYS 16 0.369 -0.479 -2.023
120 HB3 CYS 17 HB3 CYS 16 2.049 -0.153 -1.630
121 HN1 NH2 18 HN1 NH2 102 1.104 -0.818 -5.336
122 HN2 NH2 18 HN2 NH2 102 2.733 -1.256 -5.567
Start of MODEL 20
1 H1 ACE 1 H1 ACE 0 -6.619 8.517 -6.809
2 H2 ACE 1 H2 ACE 0 -5.945 10.141 -6.946
3 H3 ACE 1 H3 ACE 0 -6.523 9.554 -5.387
4 H GLY 2 H1 GLY 1 -5.418 7.385 -4.729
5 HA2 GLY 2 HA2 GLY 1 -2.828 6.741 -5.647
6 HA3 GLY 2 HA3 GLY 1 -2.689 7.864 -4.294
7 H CYS 3 H CYS 2 -1.556 5.609 -3.733
8 HA CYS 3 HA CYS 2 -3.162 3.490 -2.873
9 HB2 CYS 3 HB2 CYS 2 -0.742 3.296 -3.296
10 HB3 CYS 3 HB3 CYS 2 -0.442 4.243 -1.841
11 HA PRO 4 HA PRO 3 -4.764 5.388 0.847
12 HB2 PRO 4 HB2 PRO 3 -6.028 3.196 1.847
13 HB3 PRO 4 HB3 PRO 3 -6.653 4.118 0.463
14 HG2 PRO 4 HG2 PRO 3 -5.147 1.547 0.503
15 HG3 PRO 4 HG3 PRO 3 -6.516 2.043 -0.512
16 HD2 PRO 4 HD2 PRO 3 -3.919 2.060 -1.366
17 HD3 PRO 4 HD3 PRO 3 -5.172 3.131 -2.022
18 H CYS 5 H CYS 4 -2.630 2.659 0.755
19 HA CYS 5 HA CYS 4 -2.241 2.532 3.623
20 HB2 CYS 5 HB2 CYS 4 -1.308 1.032 1.253
21 HB3 CYS 5 HB3 CYS 4 -0.162 1.127 2.595
22 H ILE 6 H ILE 5 -0.744 3.606 4.784
23 HA ILE 6 HA ILE 5 0.690 5.772 3.662
24 HB ILE 6 HB ILE 5 0.982 4.355 6.318
25 HG12 ILE 6 HG12 ILE 5 -0.224 7.046 5.613
26 HG13 ILE 6 HG13 ILE 5 -1.173 5.564 5.764
27 HG21 ILE 6 HG21 ILE 5 3.082 5.441 5.868
28 HG22 ILE 6 HG22 ILE 5 2.186 6.506 6.947
29 HG23 ILE 6 HG23 ILE 5 2.272 6.869 5.225
30 HD11 ILE 6 HD11 ILE 5 -0.379 5.294 8.088
31 HD12 ILE 6 HD12 ILE 5 -1.207 6.836 7.877
32 HD13 ILE 6 HD13 ILE 5 0.555 6.782 7.940
33 H TRP 7 H TRP 6 1.686 2.518 4.663
34 HA TRP 7 HA TRP 6 4.294 2.985 3.420
35 HB2 TRP 7 HB2 TRP 6 3.512 0.915 5.445
36 HB3 TRP 7 HB3 TRP 6 5.119 1.092 4.737
37 HD1 TRP 7 HD1 TRP 6 2.752 2.658 7.247
38 HE1 TRP 7 HE1 TRP 6 3.994 4.502 8.552
39 HE3 TRP 7 HE3 TRP 6 7.085 2.887 4.550
40 HZ2 TRP 7 HZ2 TRP 6 6.492 5.892 8.465
41 HZ3 TRP 7 HZ3 TRP 6 8.877 4.479 5.183
42 HH2 TRP 7 HH2 TRP 6 8.586 5.979 7.134
43 HA PRO 8 HA PRO 7 2.485 0.223 0.321
44 HB2 PRO 8 HB2 PRO 7 4.487 0.460 -1.509
45 HB3 PRO 8 HB3 PRO 7 3.269 1.726 -1.268
46 HG2 PRO 8 HG2 PRO 7 6.053 1.555 -0.193
47 HG3 PRO 8 HG3 PRO 7 5.201 2.940 -0.903
48 HD2 PRO 8 HD2 PRO 7 5.463 2.618 1.769
49 HD3 PRO 8 HD3 PRO 7 4.039 3.402 1.043
50 H GLU 9 H GLU 8 5.558 -0.001 1.884
51 HA GLU 9 HA GLU 8 6.304 -2.576 0.867
52 HB2 GLU 9 HB2 GLU 8 8.056 -2.496 2.509
53 HB3 GLU 9 HB3 GLU 8 7.891 -0.871 1.852
54 HG2 GLU 9 HG2 GLU 8 6.368 -0.335 3.793
55 HG3 GLU 9 HG3 GLU 8 6.796 -1.902 4.478
56 H LEU 10 H LEU 9 4.184 -1.386 3.313
57 HA LEU 10 HA LEU 9 4.009 -3.986 4.650
58 HB2 LEU 10 HB2 LEU 9 2.646 -1.355 5.280
59 HB3 LEU 10 HB3 LEU 9 2.626 -2.808 6.287
60 HG LEU 10 HG LEU 9 5.111 -1.256 5.515
61 HD11 LEU 10 HD11 LEU 9 3.441 -0.208 7.189
62 HD12 LEU 10 HD12 LEU 9 5.117 -0.362 7.706
63 HD13 LEU 10 HD13 LEU 9 3.908 -1.515 8.274
64 HD21 LEU 10 HD21 LEU 9 4.622 -3.696 7.238
65 HD22 LEU 10 HD22 LEU 9 6.102 -2.744 7.336
66 HD23 LEU 10 HD23 LEU 9 5.681 -3.566 5.835
67 H CYS 11 H CYS 10 2.510 -2.156 2.201
68 HA CYS 11 HA CYS 10 0.152 -3.940 2.300
69 HB2 CYS 11 HB2 CYS 10 0.338 -1.050 1.414
70 HB3 CYS 11 HB3 CYS 10 -1.067 -2.075 1.145
71 HA PRO 12 HA PRO 11 2.590 -4.470 -1.657
72 HB2 PRO 12 HB2 PRO 11 2.936 -7.161 -1.443
73 HB3 PRO 12 HB3 PRO 11 4.039 -5.984 -0.698
74 HG2 PRO 12 HG2 PRO 11 1.805 -7.527 0.549
75 HG3 PRO 12 HG3 PRO 11 3.443 -7.207 1.164
76 HD2 PRO 12 HD2 PRO 11 1.280 -5.771 1.994
77 HD3 PRO 12 HD3 PRO 11 2.910 -5.072 1.878
78 H TRP 13 H TRP 12 -0.254 -5.721 -0.260
79 HA TRP 13 HA TRP 12 -1.186 -7.113 -2.630
80 HB2 TRP 13 HB2 TRP 12 -3.329 -7.272 -1.230
81 HB3 TRP 13 HB3 TRP 12 -1.908 -8.143 -0.647
82 HD1 TRP 13 HD1 TRP 12 -3.848 -4.880 -0.039
83 HE1 TRP 13 HE1 TRP 12 -3.373 -4.084 2.364
84 HE3 TRP 13 HE3 TRP 12 -0.344 -8.320 1.340
85 HZ2 TRP 13 HZ2 TRP 12 -1.724 -4.816 4.585
86 HZ3 TRP 13 HZ3 TRP 12 0.660 -8.252 3.606
87 HH2 TRP 13 HH2 TRP 12 -0.025 -6.506 5.227
88 H ILE 14 H ILE 13 -0.803 -3.969 -1.983
89 HA ILE 14 HA ILE 13 -3.348 -3.128 -3.210
90 HB ILE 14 HB ILE 13 -1.256 -1.496 -1.784
91 HG12 ILE 14 HG12 ILE 13 -2.426 -3.077 -0.308
92 HG13 ILE 14 HG13 ILE 13 -2.825 -1.410 0.076
93 HG21 ILE 14 HG21 ILE 13 -3.150 0.186 -1.753
94 HG22 ILE 14 HG22 ILE 13 -3.985 -0.858 -2.899
95 HG23 ILE 14 HG23 ILE 13 -2.455 -0.110 -3.342
96 HD11 ILE 14 HD11 ILE 13 -4.520 -3.288 -1.611
97 HD12 ILE 14 HD12 ILE 13 -4.914 -1.609 -1.248
98 HD13 ILE 14 HD13 ILE 13 -4.860 -2.802 0.037
99 H ARG 15 H ARG 14 -3.259 -2.885 -5.327
100 HA ARG 15 HA ARG 14 -0.922 -2.885 -6.868
101 HB2 ARG 15 HB2 ARG 14 -2.341 -2.289 -8.734
102 HB3 ARG 15 HB3 ARG 14 -3.219 -3.416 -7.701
103 HG2 ARG 15 HG2 ARG 14 -4.380 -1.521 -6.627
104 HG3 ARG 15 HG3 ARG 14 -3.521 -0.398 -7.675
105 HD2 ARG 15 HD2 ARG 14 -5.289 -2.619 -8.687
106 HD3 ARG 15 HD3 ARG 14 -5.816 -0.952 -8.477
107 HE ARG 15 HE ARG 14 -3.493 -0.929 -10.045
108 HH11 ARG 15 HH11 ARG 14 -6.775 -2.065 -10.154
109 HH12 ARG 15 HH12 ARG 14 -6.906 -1.921 -11.867
110 HH21 ARG 15 HH21 ARG 14 -3.680 -0.737 -12.310
111 HH22 ARG 15 HH22 ARG 14 -5.164 -1.172 -13.089
112 H SER 16 H SER 15 -2.706 -0.244 -5.407
113 HA SER 16 HA SER 15 -1.484 1.868 -6.847
114 HB2 SER 16 HB2 SER 15 -2.760 1.822 -4.109
115 HB3 SER 16 HB3 SER 15 -2.263 3.287 -4.949
116 HG SER 16 HG SER 15 -4.322 3.040 -5.565
117 H CYS 17 H CYS 16 -0.642 0.159 -3.871
118 HA CYS 17 HA CYS 16 1.610 1.900 -3.311
119 HB2 CYS 17 HB2 CYS 16 0.329 -0.427 -2.009
120 HB3 CYS 17 HB3 CYS 16 2.010 -0.159 -1.655
121 HN1 NH2 18 HN1 NH2 102 1.108 -0.810 -5.354
122 HN2 NH2 18 HN2 NH2 102 2.748 -1.228 -5.564
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