NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8730 |
1mqy   |
5582 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 HT1 CYS 1 -0.309 2.710 3.036
2 2H CYS 1 HT2 CYS 1 0.363 1.311 2.343
3 3H CYS 1 HT3 CYS 1 0.519 1.597 4.009
4 HA CYS 1 HA CYS 1 -1.278 -0.027 3.038
5 1HB CYS 1 HB2 CYS 1 -0.859 0.299 5.391
6 2HB CYS 1 HB1 CYS 1 -1.586 1.899 5.347
7 1HN ABA 2 HN ABU 2 -4.302 1.335 1.833
8 HA ABA 2 HA ABU 2 -4.589 -0.883 2.167
9 2HB ABA 2 HB ABU 2 -3.186 -1.989 4.031
10 1HG ABA 2 HG21 ABU 2 -5.569 -1.208 4.163
11 2HG ABA 2 HG22 ABU 2 -4.968 0.310 4.827
12 3HG ABA 2 HG23 ABU 2 -4.704 -1.200 5.699
13 H PHE 3 HN PHE 3 -2.847 -2.966 2.699
14 HA PHE 3 HA PHE 3 -0.457 -2.844 1.146
15 1HB PHE 3 HB2 PHE 3 -0.670 -4.499 2.904
16 2HB PHE 3 HB1 PHE 3 -2.098 -5.186 2.140
17 HD1 PHE 3 HD1 PHE 3 1.290 -4.274 0.861
18 HD2 PHE 3 HD2 PHE 3 -1.652 -7.304 1.393
19 HE1 PHE 3 HE1 PHE 3 2.702 -5.865 -0.378
20 HE2 PHE 3 HE2 PHE 3 -0.243 -8.898 0.162
21 HZ PHE 3 HZ PHE 3 1.934 -8.177 -0.730
22 1HN ABA 4 HN ABU 4 -0.925 -2.067 -0.892
23 HA ABA 4 HA ABU 4 -2.488 -3.899 -2.593
24 2HB ABA 4 HB ABU 4 -1.034 -2.658 -4.445
25 1HG ABA 4 HG21 ABU 4 -1.045 -5.056 -4.095
26 2HG ABA 4 HG22 ABU 4 -0.012 -4.880 -2.676
27 3HG ABA 4 HG23 ABU 4 0.615 -4.488 -4.277
28 H LEU 5 HN LEU 5 -3.376 -1.497 -1.035
29 HA LEU 5 HA LEU 5 -4.451 0.030 -3.307
30 1HB LEU 5 HB2 LEU 5 -5.773 -1.022 -0.844
31 2HB LEU 5 HB1 LEU 5 -6.402 0.424 -1.612
32 HG LEU 5 HG LEU 5 -5.990 -2.146 -3.113
33 1HD1 LEU 5 HD11 LEU 5 -8.008 -1.488 -1.140
34 2HD1 LEU 5 HD12 LEU 5 -7.687 -3.018 -1.955
35 3HD1 LEU 5 HD13 LEU 5 -8.714 -1.807 -2.724
36 1HD2 LEU 5 HD21 LEU 5 -7.423 -1.178 -4.742
37 2HD2 LEU 5 HD22 LEU 5 -6.185 0.017 -4.352
38 3HD2 LEU 5 HD23 LEU 5 -7.809 0.179 -3.683
39 HA PRO 6 HA PRO 6 -1.920 3.179 -1.234
40 1HB PRO 6 HB2 PRO 6 -3.086 4.657 -3.522
41 2HB PRO 6 HB1 PRO 6 -1.409 4.560 -2.986
42 1HG PRO 6 HG2 PRO 6 -2.307 3.238 -5.147
43 2HG PRO 6 HG1 PRO 6 -1.025 2.593 -4.108
44 1HD PRO 6 HD2 PRO 6 -3.853 1.740 -4.367
45 2HD PRO 6 HD1 PRO 6 -2.430 0.820 -3.851
46 H GLY 7 HN GLY 7 -3.182 3.558 0.589
47 1HA GLY 7 HA2 GLY 7 -5.694 5.004 0.274
48 2HA GLY 7 HA1 GLY 7 -5.061 4.325 1.766
49 H GLY 8 HN GLY 8 -3.779 5.563 3.086
50 1HA GLY 8 HA2 GLY 8 -3.300 8.331 2.181
51 2HA GLY 8 HA1 GLY 8 -4.000 7.984 3.755
52 H GLY 9 HN GLY 9 -1.099 7.743 1.791
53 1HA GLY 9 HA2 GLY 9 0.971 8.465 2.864
54 2HA GLY 9 HA1 GLY 9 0.450 7.606 4.305
55 H GLY 10 HN GLY 10 -0.003 6.212 1.153
56 1HA GLY 10 HA2 GLY 10 2.458 4.796 1.043
57 2HA GLY 10 HA1 GLY 10 1.207 3.798 1.770
58 H VAL 11 HN VAL 11 2.622 3.379 -0.677
59 HA VAL 11 HA VAL 11 0.357 3.388 -2.566
60 HB VAL 11 HB VAL 11 3.260 3.373 -3.410
61 1HG1 VAL 11 HG11 VAL 11 1.897 4.435 -5.473
62 2HG1 VAL 11 HG12 VAL 11 0.665 3.365 -4.800
63 3HG1 VAL 11 HG13 VAL 11 2.227 2.712 -5.294
64 1HG2 VAL 11 HG21 VAL 11 1.537 5.659 -2.677
65 2HG2 VAL 11 HG22 VAL 11 2.491 5.823 -4.152
66 3HG2 VAL 11 HG23 VAL 11 3.292 5.490 -2.617
67 H CYS 12 HN CYS 12 0.640 1.480 -4.175
68 HA CYS 12 HA CYS 12 0.568 -0.880 -2.709
69 1HB CYS 12 HB2 CYS 12 -0.489 -0.502 -4.937
70 2HB CYS 12 HB1 CYS 12 1.108 -0.640 -5.658
71 1HN ABA 13 HN ABU 13 2.325 -1.407 -1.530
72 HA ABA 13 HA ABU 13 4.636 -2.413 -2.992
73 2HB ABA 13 HB ABU 13 3.292 -3.066 -0.497
74 1HG ABA 13 HG21 ABU 13 5.277 -4.667 -2.093
75 2HG ABA 13 HG22 ABU 13 3.587 -4.482 -2.563
76 3HG ABA 13 HG23 ABU 13 3.996 -5.263 -1.035
77 H LEU 14 HN LEU 14 3.736 0.388 -1.483
78 HA LEU 14 HA LEU 14 6.540 1.103 -0.926
79 1HB LEU 14 HB2 LEU 14 4.472 2.908 -2.173
80 2HB LEU 14 HB1 LEU 14 6.186 3.223 -1.994
81 HG LEU 14 HG LEU 14 4.967 1.134 -3.815
82 1HD1 LEU 14 HD11 LEU 14 6.335 2.946 -5.348
83 2HD1 LEU 14 HD12 LEU 14 5.578 3.970 -4.127
84 3HD1 LEU 14 HD13 LEU 14 4.587 2.900 -5.121
85 1HD2 LEU 14 HD21 LEU 14 7.215 0.566 -2.904
86 2HD2 LEU 14 HD22 LEU 14 7.833 2.063 -3.603
87 3HD2 LEU 14 HD23 LEU 14 7.193 0.797 -4.653
88 1HN ABA 15 HN ABU 15 6.325 1.001 1.333
89 HA ABA 15 HA ABU 15 4.254 2.620 2.594
90 2HB ABA 15 HB ABU 15 6.232 3.635 4.038
91 1HG ABA 15 HG21 ABU 15 6.051 5.651 2.709
92 2HG ABA 15 HG22 ABU 15 4.485 4.843 2.791
93 3HG ABA 15 HG23 ABU 15 5.466 4.718 1.331
94 1HN DHA 16 HN DHA 16 4.196 2.381 4.870
95 2HB DHA 16 HB1 DHA 16 5.879 2.173 7.088
96 3HB DHA 16 HB2 DHA 16 5.519 0.551 7.949
97 H GLU 17 HN GLU 17 3.319 -0.216 4.248
98 HA GLU 17 HA GLU 17 2.611 -2.502 5.883
99 1HB GLU 17 HB2 GLU 17 0.930 -2.950 4.266
100 2HB GLU 17 HB1 GLU 17 0.942 -1.214 4.495
101 1HG GLU 17 HG2 GLU 17 2.503 -2.440 2.265
102 2HG GLU 17 HG1 GLU 17 0.763 -2.213 2.107
103 H CYS 18 HN CYS 18 4.898 -1.702 3.541
104 HA CYS 18 HA CYS 18 5.418 -4.548 3.020
105 1HB CYS 18 HB2 CYS 18 5.718 -2.169 1.192
106 2HB CYS 18 HB1 CYS 18 6.433 -3.737 0.836
107 H ILE 19 HN ILE 19 7.258 -1.505 2.587
108 HA ILE 19 HA ILE 19 9.425 -2.794 4.117
109 HB ILE 19 HB ILE 19 9.722 -0.564 2.090
110 1HG1 ILE 19 HG12 ILE 19 9.062 -2.654 0.998
111 2HG1 ILE 19 HG11 ILE 19 10.734 -2.256 0.628
112 1HG2 ILE 19 HG21 ILE 19 11.391 -0.830 4.036
113 2HG2 ILE 19 HG22 ILE 19 12.028 -0.689 2.396
114 3HG2 ILE 19 HG23 ILE 19 11.934 -2.269 3.176
115 1HD1 ILE 19 HD11 ILE 19 11.391 -4.226 1.363
116 2HD1 ILE 19 HD12 ILE 19 9.708 -4.657 1.665
117 3HD1 ILE 19 HD13 ILE 19 10.671 -3.914 2.944
118 1HN TEE 20 HN TEA 20 9.240 0.567 3.253
119 HB2 TEE 20 HB2 TEA 20 7.114 2.470 4.706
120 HA TEE 20 HA TEA 20 7.958 1.330 5.017
Start of MODEL 2
1 1H CYS 1 HT1 CYS 1 0.067 1.996 3.660
2 2H CYS 1 HT2 CYS 1 -0.575 3.008 2.462
3 3H CYS 1 HT3 CYS 1 -0.011 1.459 2.050
4 HA CYS 1 HA CYS 1 -1.814 0.414 2.776
5 1HB CYS 1 HB2 CYS 1 -1.498 1.028 5.092
6 2HB CYS 1 HB1 CYS 1 -2.110 2.650 4.788
7 1HN ABA 2 HN ABU 2 -4.613 1.831 1.199
8 HA ABA 2 HA ABU 2 -5.034 -0.333 1.724
9 2HB ABA 2 HB ABU 2 -3.923 -1.287 3.812
10 1HG ABA 2 HG21 ABU 2 -6.180 -0.347 3.787
11 2HG ABA 2 HG22 ABU 2 -5.514 1.260 4.085
12 3HG ABA 2 HG23 ABU 2 -5.353 -0.002 5.307
13 H PHE 3 HN PHE 3 -3.235 -2.305 2.774
14 HA PHE 3 HA PHE 3 -0.767 -2.406 1.416
15 1HB PHE 3 HB2 PHE 3 -1.195 -3.858 3.304
16 2HB PHE 3 HB1 PHE 3 -2.545 -4.615 2.471
17 HD1 PHE 3 HD1 PHE 3 0.979 -3.885 1.453
18 HD2 PHE 3 HD2 PHE 3 -2.061 -6.803 2.039
19 HE1 PHE 3 HE1 PHE 3 2.482 -5.624 0.577
20 HE2 PHE 3 HE2 PHE 3 -0.561 -8.548 1.167
21 HZ PHE 3 HZ PHE 3 1.714 -7.957 0.436
22 1HN ABA 4 HN ABU 4 -0.753 -2.059 -0.747
23 HA ABA 4 HA ABU 4 -2.134 -4.061 -2.381
24 2HB ABA 4 HB ABU 4 -0.694 -2.779 -4.222
25 1HG ABA 4 HG21 ABU 4 0.130 -4.913 -2.288
26 2HG ABA 4 HG22 ABU 4 1.175 -4.422 -3.622
27 3HG ABA 4 HG23 ABU 4 -0.427 -5.081 -3.952
28 H LEU 5 HN LEU 5 -3.400 -1.612 -1.148
29 HA LEU 5 HA LEU 5 -4.505 -0.508 -3.644
30 1HB LEU 5 HB2 LEU 5 -5.976 -1.371 -1.160
31 2HB LEU 5 HB1 LEU 5 -6.713 -0.504 -2.497
32 HG LEU 5 HG LEU 5 -5.376 -3.189 -2.773
33 1HD1 LEU 5 HD11 LEU 5 -7.282 -4.242 -2.247
34 2HD1 LEU 5 HD12 LEU 5 -8.285 -3.036 -3.055
35 3HD1 LEU 5 HD13 LEU 5 -7.700 -2.743 -1.417
36 1HD2 LEU 5 HD21 LEU 5 -7.071 -1.519 -4.616
37 2HD2 LEU 5 HD22 LEU 5 -6.687 -3.215 -4.904
38 3HD2 LEU 5 HD23 LEU 5 -5.395 -2.016 -4.843
39 HA PRO 6 HA PRO 6 -3.007 3.063 -1.169
40 1HB PRO 6 HB2 PRO 6 -2.711 4.141 -3.890
41 2HB PRO 6 HB1 PRO 6 -1.523 4.035 -2.590
42 1HG PRO 6 HG2 PRO 6 -1.356 2.462 -4.741
43 2HG PRO 6 HG1 PRO 6 -0.935 1.863 -3.123
44 1HD PRO 6 HD2 PRO 6 -3.435 1.432 -4.700
45 2HD PRO 6 HD1 PRO 6 -2.511 0.270 -3.736
46 H GLY 7 HN GLY 7 -5.134 3.547 -0.441
47 1HA GLY 7 HA2 GLY 7 -6.701 5.268 -2.258
48 2HA GLY 7 HA1 GLY 7 -7.358 4.433 -0.856
49 H GLY 8 HN GLY 8 -5.107 5.089 0.847
50 1HA GLY 8 HA2 GLY 8 -4.593 7.848 0.925
51 2HA GLY 8 HA1 GLY 8 -5.967 7.507 1.969
52 H GLY 9 HN GLY 9 -2.581 6.747 1.362
53 1HA GLY 9 HA2 GLY 9 -1.790 6.832 4.024
54 2HA GLY 9 HA1 GLY 9 -2.234 5.165 3.697
55 H GLY 10 HN GLY 10 -1.341 5.347 0.878
56 1HA GLY 10 HA2 GLY 10 1.343 6.114 0.689
57 2HA GLY 10 HA1 GLY 10 1.312 4.446 1.241
58 H VAL 11 HN VAL 11 2.271 3.689 -0.677
59 HA VAL 11 HA VAL 11 0.379 3.574 -2.932
60 HB VAL 11 HB VAL 11 3.348 3.481 -3.412
61 1HG1 VAL 11 HG11 VAL 11 2.769 3.956 -5.682
62 2HG1 VAL 11 HG12 VAL 11 1.086 4.243 -5.243
63 3HG1 VAL 11 HG13 VAL 11 1.764 2.620 -5.119
64 1HG2 VAL 11 HG21 VAL 11 2.449 5.973 -4.303
65 2HG2 VAL 11 HG22 VAL 11 3.569 5.648 -2.979
66 3HG2 VAL 11 HG23 VAL 11 1.844 5.811 -2.654
67 H CYS 12 HN CYS 12 0.665 1.571 -4.240
68 HA CYS 12 HA CYS 12 0.539 -0.658 -2.603
69 1HB CYS 12 HB2 CYS 12 -0.525 -0.564 -4.798
70 2HB CYS 12 HB1 CYS 12 1.058 -0.571 -5.569
71 1HN ABA 13 HN ABU 13 2.223 -1.351 -1.404
72 HA ABA 13 HA ABU 13 4.589 -2.307 -2.825
73 2HB ABA 13 HB ABU 13 3.328 -2.862 -0.222
74 1HG ABA 13 HG21 ABU 13 4.474 -5.147 -1.049
75 2HG ABA 13 HG22 ABU 13 4.316 -4.309 -2.592
76 3HG ABA 13 HG23 ABU 13 2.892 -4.598 -1.596
77 H LEU 14 HN LEU 14 3.724 0.552 -1.633
78 HA LEU 14 HA LEU 14 6.500 1.208 -0.912
79 1HB LEU 14 HB2 LEU 14 4.497 3.074 -2.169
80 2HB LEU 14 HB1 LEU 14 6.223 3.316 -2.000
81 HG LEU 14 HG LEU 14 4.896 1.295 -3.823
82 1HD1 LEU 14 HD11 LEU 14 5.406 2.682 -5.610
83 2HD1 LEU 14 HD12 LEU 14 6.569 3.628 -4.682
84 3HD1 LEU 14 HD13 LEU 14 4.842 3.817 -4.383
85 1HD2 LEU 14 HD21 LEU 14 6.950 0.490 -4.395
86 2HD2 LEU 14 HD22 LEU 14 7.264 0.888 -2.705
87 3HD2 LEU 14 HD23 LEU 14 7.780 1.990 -3.982
88 1HN ABA 15 HN ABU 15 6.440 1.279 1.264
89 HA ABA 15 HA ABU 15 4.294 2.802 2.556
90 2HB ABA 15 HB ABU 15 6.318 3.631 4.089
91 1HG ABA 15 HG21 ABU 15 4.675 5.080 3.149
92 2HG ABA 15 HG22 ABU 15 5.319 4.855 1.525
93 3HG ABA 15 HG23 ABU 15 6.260 5.735 2.729
94 1HN DHA 16 HN DHA 16 4.291 2.488 4.908
95 2HB DHA 16 HB1 DHA 16 6.124 1.800 6.998
96 3HB DHA 16 HB2 DHA 16 5.537 0.186 7.740
97 H GLU 17 HN GLU 17 3.598 -0.149 3.857
98 HA GLU 17 HA GLU 17 2.168 -2.229 5.287
99 1HB GLU 17 HB2 GLU 17 1.041 -2.573 3.120
100 2HB GLU 17 HB1 GLU 17 0.942 -0.903 3.646
101 1HG GLU 17 HG2 GLU 17 2.852 -0.384 2.134
102 2HG GLU 17 HG1 GLU 17 2.756 -2.035 1.530
103 H CYS 18 HN CYS 18 4.958 -1.744 3.411
104 HA CYS 18 HA CYS 18 5.340 -4.639 3.110
105 1HB CYS 18 HB2 CYS 18 5.849 -2.430 1.123
106 2HB CYS 18 HB1 CYS 18 6.485 -4.056 0.917
107 H ILE 19 HN ILE 19 7.354 -1.691 2.617
108 HA ILE 19 HA ILE 19 9.350 -3.018 4.334
109 HB ILE 19 HB ILE 19 9.884 -1.115 2.046
110 1HG1 ILE 19 HG12 ILE 19 10.504 -4.055 2.402
111 2HG1 ILE 19 HG11 ILE 19 9.302 -3.374 1.311
112 1HG2 ILE 19 HG21 ILE 19 11.405 -1.473 4.342
113 2HG2 ILE 19 HG22 ILE 19 11.943 -0.771 2.815
114 3HG2 ILE 19 HG23 ILE 19 12.189 -2.487 3.129
115 1HD1 ILE 19 HD11 ILE 19 12.055 -3.876 0.846
116 2HD1 ILE 19 HD12 ILE 19 11.772 -2.140 0.720
117 3HD1 ILE 19 HD13 ILE 19 10.836 -3.259 -0.270
118 1HN TEE 20 HN TEA 20 9.137 0.286 3.123
119 HB2 TEE 20 HB2 TEA 20 7.886 2.576 3.610
120 HA TEE 20 HA TEA 20 8.140 1.005 4.942
Start of MODEL 3
1 1H CYS 1 HT1 CYS 1 -0.297 1.520 1.811
2 2H CYS 1 HT2 CYS 1 -0.163 2.073 3.412
3 3H CYS 1 HT3 CYS 1 -0.855 3.070 2.231
4 HA CYS 1 HA CYS 1 -2.059 0.466 2.673
5 1HB CYS 1 HB2 CYS 1 -1.667 1.242 4.937
6 2HB CYS 1 HB1 CYS 1 -2.365 2.809 4.548
7 1HN ABA 2 HN ABU 2 -4.908 1.735 1.079
8 HA ABA 2 HA ABU 2 -5.284 -0.398 1.745
9 2HB ABA 2 HB ABU 2 -3.828 -1.164 3.832
10 1HG ABA 2 HG21 ABU 2 -5.797 -0.958 4.855
11 2HG ABA 2 HG22 ABU 2 -6.367 -0.080 3.435
12 3HG ABA 2 HG23 ABU 2 -5.704 0.802 4.809
13 H PHE 3 HN PHE 3 -3.517 -2.375 2.718
14 HA PHE 3 HA PHE 3 -1.038 -2.502 1.414
15 1HB PHE 3 HB2 PHE 3 -1.530 -4.029 3.202
16 2HB PHE 3 HB1 PHE 3 -2.922 -4.675 2.343
17 HD1 PHE 3 HD1 PHE 3 0.604 -4.070 1.281
18 HD2 PHE 3 HD2 PHE 3 -2.537 -6.881 1.869
19 HE1 PHE 3 HE1 PHE 3 2.005 -5.842 0.305
20 HE2 PHE 3 HE2 PHE 3 -1.141 -8.654 0.894
21 HZ PHE 3 HZ PHE 3 1.132 -8.137 0.110
22 1HN ABA 4 HN ABU 4 -0.825 -2.177 -0.722
23 HA ABA 4 HA ABU 4 -2.247 -4.014 -2.494
24 2HB ABA 4 HB ABU 4 -0.669 -2.845 -4.241
25 1HG ABA 4 HG21 ABU 4 -0.507 -5.176 -3.656
26 2HG ABA 4 HG22 ABU 4 0.288 -4.779 -2.131
27 3HG ABA 4 HG23 ABU 4 1.108 -4.470 -3.663
28 H LEU 5 HN LEU 5 -3.437 -1.543 -1.228
29 HA LEU 5 HA LEU 5 -4.323 -0.268 -3.725
30 1HB LEU 5 HB2 LEU 5 -6.019 -1.142 -1.390
31 2HB LEU 5 HB1 LEU 5 -6.601 -0.200 -2.753
32 HG LEU 5 HG LEU 5 -5.363 -2.924 -3.046
33 1HD1 LEU 5 HD11 LEU 5 -7.856 -2.298 -1.902
34 2HD1 LEU 5 HD12 LEU 5 -7.263 -3.880 -2.410
35 3HD1 LEU 5 HD13 LEU 5 -8.183 -2.880 -3.535
36 1HD2 LEU 5 HD21 LEU 5 -5.401 -1.347 -5.001
37 2HD2 LEU 5 HD22 LEU 5 -7.162 -1.423 -4.929
38 3HD2 LEU 5 HD23 LEU 5 -6.231 -2.886 -5.248
39 HA PRO 6 HA PRO 6 -2.662 3.130 -1.128
40 1HB PRO 6 HB2 PRO 6 -2.849 4.309 -3.846
41 2HB PRO 6 HB1 PRO 6 -1.515 4.361 -2.691
42 1HG PRO 6 HG2 PRO 6 -1.365 2.781 -4.814
43 2HG PRO 6 HG1 PRO 6 -0.790 2.217 -3.232
44 1HD PRO 6 HD2 PRO 6 -3.335 1.584 -4.653
45 2HD PRO 6 HD1 PRO 6 -2.284 0.496 -3.735
46 H GLY 7 HN GLY 7 -4.380 3.805 0.043
47 1HA GLY 7 HA2 GLY 7 -6.574 5.141 -1.412
48 2HA GLY 7 HA1 GLY 7 -6.793 4.223 0.068
49 H GLY 8 HN GLY 8 -4.106 6.420 -0.363
50 1HA GLY 8 HA2 GLY 8 -4.299 8.793 0.187
51 2HA GLY 8 HA1 GLY 8 -5.493 8.350 1.393
52 H GLY 9 HN GLY 9 -2.571 6.487 0.966
53 1HA GLY 9 HA2 GLY 9 -0.859 7.850 2.674
54 2HA GLY 9 HA1 GLY 9 -1.833 6.799 3.693
55 H GLY 10 HN GLY 10 0.188 6.743 0.772
56 1HA GLY 10 HA2 GLY 10 2.161 5.239 0.889
57 2HA GLY 10 HA1 GLY 10 1.076 4.048 1.601
58 H VAL 11 HN VAL 11 2.671 3.759 -0.788
59 HA VAL 11 HA VAL 11 0.529 3.552 -2.797
60 HB VAL 11 HB VAL 11 3.460 3.308 -3.456
61 1HG1 VAL 11 HG11 VAL 11 1.858 2.555 -5.134
62 2HG1 VAL 11 HG12 VAL 11 2.726 3.989 -5.683
63 3HG1 VAL 11 HG13 VAL 11 1.069 4.132 -5.096
64 1HG2 VAL 11 HG21 VAL 11 2.487 5.883 -4.188
65 2HG2 VAL 11 HG22 VAL 11 3.851 5.469 -3.150
66 3HG2 VAL 11 HG23 VAL 11 2.239 5.652 -2.458
67 H CYS 12 HN CYS 12 0.804 1.524 -4.209
68 HA CYS 12 HA CYS 12 0.519 -0.678 -2.573
69 1HB CYS 12 HB2 CYS 12 -0.438 -0.594 -4.806
70 2HB CYS 12 HB1 CYS 12 1.173 -0.638 -5.515
71 1HN ABA 13 HN ABU 13 2.129 -1.283 -1.247
72 HA ABA 13 HA ABU 13 4.496 -2.487 -2.456
73 2HB ABA 13 HB ABU 13 3.153 -2.645 0.196
74 1HG ABA 13 HG21 ABU 13 2.912 -4.153 -1.967
75 2HG ABA 13 HG22 ABU 13 2.831 -4.838 -0.343
76 3HG ABA 13 HG23 ABU 13 4.327 -4.945 -1.273
77 H LEU 14 HN LEU 14 3.762 0.517 -1.556
78 HA LEU 14 HA LEU 14 6.548 1.092 -0.792
79 1HB LEU 14 HB2 LEU 14 4.634 2.963 -2.173
80 2HB LEU 14 HB1 LEU 14 6.363 3.157 -1.976
81 HG LEU 14 HG LEU 14 5.007 1.095 -3.725
82 1HD1 LEU 14 HD11 LEU 14 4.956 2.719 -5.239
83 2HD1 LEU 14 HD12 LEU 14 6.719 2.754 -5.190
84 3HD1 LEU 14 HD13 LEU 14 5.787 3.828 -4.148
85 1HD2 LEU 14 HD21 LEU 14 7.096 0.251 -2.769
86 2HD2 LEU 14 HD22 LEU 14 7.940 1.697 -3.326
87 3HD2 LEU 14 HD23 LEU 14 7.264 0.564 -4.496
88 1HN ABA 15 HN ABU 15 6.443 1.233 1.371
89 HA ABA 15 HA ABU 15 4.330 2.833 2.594
90 2HB ABA 15 HB ABU 15 6.355 3.713 4.110
91 1HG ABA 15 HG21 ABU 15 6.169 5.797 2.857
92 2HG ABA 15 HG22 ABU 15 4.597 5.012 2.997
93 3HG ABA 15 HG23 ABU 15 5.493 4.925 1.479
94 1HN DHA 16 HN DHA 16 4.264 2.495 4.940
95 2HB DHA 16 HB1 DHA 16 6.074 1.717 7.067
96 3HB DHA 16 HB2 DHA 16 5.436 0.094 7.743
97 H GLU 17 HN GLU 17 3.944 -0.367 3.753
98 HA GLU 17 HA GLU 17 2.388 -2.392 5.184
99 1HB GLU 17 HB2 GLU 17 1.146 -2.642 3.076
100 2HB GLU 17 HB1 GLU 17 1.051 -1.008 3.700
101 1HG GLU 17 HG2 GLU 17 2.787 -0.334 2.087
102 2HG GLU 17 HG1 GLU 17 2.789 -1.975 1.442
103 H CYS 18 HN CYS 18 5.179 -1.884 3.350
104 HA CYS 18 HA CYS 18 5.565 -4.773 3.101
105 1HB CYS 18 HB2 CYS 18 6.039 -2.746 0.918
106 2HB CYS 18 HB1 CYS 18 6.761 -4.345 0.896
107 H ILE 19 HN ILE 19 7.331 -1.718 2.481
108 HA ILE 19 HA ILE 19 9.526 -2.828 4.108
109 HB ILE 19 HB ILE 19 9.769 -0.758 1.917
110 1HG1 ILE 19 HG12 ILE 19 10.561 -3.684 1.886
111 2HG1 ILE 19 HG11 ILE 19 9.170 -3.008 1.046
112 1HG2 ILE 19 HG21 ILE 19 11.931 -2.283 3.363
113 2HG2 ILE 19 HG22 ILE 19 11.437 -0.639 3.768
114 3HG2 ILE 19 HG23 ILE 19 12.143 -0.984 2.188
115 1HD1 ILE 19 HD11 ILE 19 12.078 -2.556 0.488
116 2HD1 ILE 19 HD12 ILE 19 10.810 -1.536 -0.187
117 3HD1 ILE 19 HD13 ILE 19 10.853 -3.258 -0.569
118 1HN TEE 20 HN TEA 20 8.848 0.430 2.960
119 HB2 TEE 20 HB2 TEA 20 9.551 3.476 4.449
120 HA TEE 20 HA TEA 20 7.718 1.182 4.901
Start of MODEL 4
1 1H CYS 1 HT1 CYS 1 -0.227 1.473 1.948
2 2H CYS 1 HT2 CYS 1 -0.144 2.117 3.518
3 3H CYS 1 HT3 CYS 1 -0.812 3.033 2.259
4 HA CYS 1 HA CYS 1 -2.027 0.456 2.722
5 1HB CYS 1 HB2 CYS 1 -1.683 1.126 5.010
6 2HB CYS 1 HB1 CYS 1 -2.280 2.748 4.669
7 1HN ABA 2 HN ABU 2 -4.849 1.791 1.136
8 HA ABA 2 HA ABU 2 -5.262 -0.351 1.759
9 2HB ABA 2 HB ABU 2 -3.892 -1.178 3.864
10 1HG ABA 2 HG21 ABU 2 -6.279 -0.823 3.857
11 2HG ABA 2 HG22 ABU 2 -6.050 0.920 3.992
12 3HG ABA 2 HG23 ABU 2 -5.577 -0.138 5.320
13 H PHE 3 HN PHE 3 -3.526 -2.316 2.799
14 HA PHE 3 HA PHE 3 -1.020 -2.448 1.547
15 1HB PHE 3 HB2 PHE 3 -1.638 -3.880 3.435
16 2HB PHE 3 HB1 PHE 3 -2.853 -4.683 2.448
17 HD1 PHE 3 HD1 PHE 3 0.709 -3.788 1.813
18 HD2 PHE 3 HD2 PHE 3 -2.212 -6.871 2.102
19 HE1 PHE 3 HE1 PHE 3 2.386 -5.438 1.096
20 HE2 PHE 3 HE2 PHE 3 -0.532 -8.525 1.395
21 HZ PHE 3 HZ PHE 3 1.746 -7.842 0.920
22 1HN ABA 4 HN ABU 4 -0.874 -2.133 -0.617
23 HA ABA 4 HA ABU 4 -2.193 -4.118 -2.312
24 2HB ABA 4 HB ABU 4 -0.066 -2.190 -3.139
25 1HG ABA 4 HG21 ABU 4 1.092 -3.332 -1.523
26 2HG ABA 4 HG22 ABU 4 1.367 -4.365 -2.925
27 3HG ABA 4 HG23 ABU 4 0.140 -4.803 -1.734
28 H LEU 5 HN LEU 5 -3.261 -1.411 -1.203
29 HA LEU 5 HA LEU 5 -4.148 -0.349 -3.792
30 1HB LEU 5 HB2 LEU 5 -5.820 -1.019 -1.390
31 2HB LEU 5 HB1 LEU 5 -6.372 0.086 -2.637
32 HG LEU 5 HG LEU 5 -5.555 -2.772 -3.135
33 1HD1 LEU 5 HD11 LEU 5 -7.556 -2.806 -1.839
34 2HD1 LEU 5 HD12 LEU 5 -8.008 -3.094 -3.521
35 3HD1 LEU 5 HD13 LEU 5 -8.264 -1.506 -2.796
36 1HD2 LEU 5 HD21 LEU 5 -5.337 -1.001 -4.970
37 2HD2 LEU 5 HD22 LEU 5 -7.105 -0.980 -4.965
38 3HD2 LEU 5 HD23 LEU 5 -6.240 -2.475 -5.340
39 HA PRO 6 HA PRO 6 -2.184 3.072 -1.555
40 1HB PRO 6 HB2 PRO 6 -1.901 4.530 -3.893
41 2HB PRO 6 HB1 PRO 6 -0.711 3.395 -3.253
42 1HG PRO 6 HG2 PRO 6 -2.726 3.010 -5.408
43 2HG PRO 6 HG1 PRO 6 -1.078 2.379 -5.287
44 1HD PRO 6 HD2 PRO 6 -3.255 0.851 -4.798
45 2HD PRO 6 HD1 PRO 6 -1.717 0.619 -3.945
46 H GLY 7 HN GLY 7 -4.216 3.570 -0.530
47 1HA GLY 7 HA2 GLY 7 -6.184 5.146 -1.921
48 2HA GLY 7 HA1 GLY 7 -6.135 4.827 -0.190
49 H GLY 8 HN GLY 8 -4.984 6.190 1.163
50 1HA GLY 8 HA2 GLY 8 -3.668 8.502 -0.083
51 2HA GLY 8 HA1 GLY 8 -4.912 8.792 1.125
52 H GLY 9 HN GLY 9 -3.070 5.964 1.603
53 1HA GLY 9 HA2 GLY 9 -1.397 7.376 3.582
54 2HA GLY 9 HA1 GLY 9 -2.263 5.902 3.988
55 H GLY 10 HN GLY 10 -0.626 6.494 0.922
56 1HA GLY 10 HA2 GLY 10 1.797 5.712 0.826
57 2HA GLY 10 HA1 GLY 10 1.181 4.267 1.614
58 H VAL 11 HN VAL 11 2.465 3.875 -0.683
59 HA VAL 11 HA VAL 11 0.339 3.531 -2.695
60 HB VAL 11 HB VAL 11 3.291 3.454 -3.318
61 1HG1 VAL 11 HG11 VAL 11 1.742 4.487 -5.437
62 2HG1 VAL 11 HG12 VAL 11 0.896 3.069 -4.816
63 3HG1 VAL 11 HG13 VAL 11 2.570 2.934 -5.347
64 1HG2 VAL 11 HG21 VAL 11 3.513 5.678 -3.394
65 2HG2 VAL 11 HG22 VAL 11 2.127 5.699 -2.307
66 3HG2 VAL 11 HG23 VAL 11 1.892 5.919 -4.043
67 H CYS 12 HN CYS 12 0.547 1.517 -3.990
68 HA CYS 12 HA CYS 12 0.614 -0.732 -2.368
69 1HB CYS 12 HB2 CYS 12 -0.597 -0.637 -4.499
70 2HB CYS 12 HB1 CYS 12 0.938 -0.587 -5.358
71 1HN ABA 13 HN ABU 13 2.321 -1.561 -1.372
72 HA ABA 13 HA ABU 13 4.674 -2.241 -2.952
73 2HB ABA 13 HB ABU 13 3.304 -3.502 -0.894
74 1HG ABA 13 HG21 ABU 13 5.434 -4.003 -2.762
75 2HG ABA 13 HG22 ABU 13 4.229 -5.115 -2.111
76 3HG ABA 13 HG23 ABU 13 5.734 -4.824 -1.234
77 H LEU 14 HN LEU 14 3.832 0.477 -1.741
78 HA LEU 14 HA LEU 14 6.575 1.165 -0.924
79 1HB LEU 14 HB2 LEU 14 4.561 3.023 -2.180
80 2HB LEU 14 HB1 LEU 14 6.294 3.246 -2.039
81 HG LEU 14 HG LEU 14 4.912 1.227 -3.835
82 1HD1 LEU 14 HD11 LEU 14 6.045 2.712 -5.590
83 2HD1 LEU 14 HD12 LEU 14 6.173 3.916 -4.307
84 3HD1 LEU 14 HD13 LEU 14 4.589 3.326 -4.812
85 1HD2 LEU 14 HD21 LEU 14 7.273 0.755 -2.782
86 2HD2 LEU 14 HD22 LEU 14 7.817 1.929 -3.983
87 3HD2 LEU 14 HD23 LEU 14 6.981 0.461 -4.495
88 1HN ABA 15 HN ABU 15 6.474 1.233 1.271
89 HA ABA 15 HA ABU 15 4.371 2.882 2.488
90 2HB ABA 15 HB ABU 15 6.328 3.694 4.035
91 1HG ABA 15 HG21 ABU 15 6.571 5.262 1.651
92 2HG ABA 15 HG22 ABU 15 5.686 5.618 3.133
93 3HG ABA 15 HG23 ABU 15 4.905 4.713 1.836
94 1HN DHA 16 HN DHA 16 4.155 2.562 4.768
95 2HB DHA 16 HB1 DHA 16 5.812 1.986 7.025
96 3HB DHA 16 HB2 DHA 16 5.186 0.393 7.779
97 H GLU 17 HN GLU 17 3.654 -0.175 3.765
98 HA GLU 17 HA GLU 17 2.195 -2.255 5.198
99 1HB GLU 17 HB2 GLU 17 1.020 -2.583 3.085
100 2HB GLU 17 HB1 GLU 17 0.952 -0.896 3.560
101 1HG GLU 17 HG2 GLU 17 2.892 -0.506 2.008
102 2HG GLU 17 HG1 GLU 17 2.654 -2.152 1.422
103 H CYS 18 HN CYS 18 4.982 -1.699 3.322
104 HA CYS 18 HA CYS 18 5.379 -4.587 2.983
105 1HB CYS 18 HB2 CYS 18 5.805 -2.351 1.022
106 2HB CYS 18 HB1 CYS 18 6.563 -3.923 0.805
107 H ILE 19 HN ILE 19 7.324 -1.636 2.449
108 HA ILE 19 HA ILE 19 9.507 -2.961 3.903
109 HB ILE 19 HB ILE 19 9.744 -0.606 2.020
110 1HG1 ILE 19 HG12 ILE 19 10.298 -3.527 1.452
111 2HG1 ILE 19 HG11 ILE 19 8.871 -2.662 0.889
112 1HG2 ILE 19 HG21 ILE 19 11.689 -2.367 3.464
113 2HG2 ILE 19 HG22 ILE 19 11.654 -0.608 3.335
114 3HG2 ILE 19 HG23 ILE 19 12.147 -1.582 1.951
115 1HD1 ILE 19 HD11 ILE 19 11.216 -1.211 0.138
116 2HD1 ILE 19 HD12 ILE 19 9.974 -1.937 -0.882
117 3HD1 ILE 19 HD13 ILE 19 11.365 -2.893 -0.372
118 1HN TEE 20 HN TEA 20 8.849 0.416 3.199
119 HB2 TEE 20 HB2 TEA 20 7.523 2.495 3.998
120 HA TEE 20 HA TEA 20 7.969 0.858 5.332
Start of MODEL 5
1 1H CYS 1 HT1 CYS 1 -0.801 3.097 1.094
2 2H CYS 1 HT2 CYS 1 0.218 1.853 1.628
3 3H CYS 1 HT3 CYS 1 -0.172 3.143 2.666
4 HA CYS 1 HA CYS 1 -1.592 0.733 2.113
5 1HB CYS 1 HB2 CYS 1 -0.815 2.066 4.310
6 2HB CYS 1 HB1 CYS 1 -2.450 2.701 4.173
7 1HN ABA 2 HN ABU 2 -4.837 1.832 1.136
8 HA ABA 2 HA ABU 2 -5.050 -0.284 1.873
9 2HB ABA 2 HB ABU 2 -3.637 -0.918 3.920
10 1HG ABA 2 HG21 ABU 2 -6.011 0.197 3.733
11 2HG ABA 2 HG22 ABU 2 -5.178 1.569 4.463
12 3HG ABA 2 HG23 ABU 2 -5.210 0.014 5.294
13 H PHE 3 HN PHE 3 -3.271 -2.168 2.825
14 HA PHE 3 HA PHE 3 -0.829 -2.400 1.474
15 1HB PHE 3 HB2 PHE 3 -1.409 -3.770 3.414
16 2HB PHE 3 HB1 PHE 3 -2.686 -4.559 2.497
17 HD1 PHE 3 HD1 PHE 3 0.894 -3.799 1.775
18 HD2 PHE 3 HD2 PHE 3 -2.147 -6.756 2.103
19 HE1 PHE 3 HE1 PHE 3 2.492 -5.515 1.037
20 HE2 PHE 3 HE2 PHE 3 -0.552 -8.479 1.367
21 HZ PHE 3 HZ PHE 3 1.749 -7.888 0.856
22 1HN ABA 4 HN ABU 4 -0.753 -2.142 -0.696
23 HA ABA 4 HA ABU 4 -2.126 -4.170 -2.291
24 2HB ABA 4 HB ABU 4 -0.610 -2.917 -4.111
25 1HG ABA 4 HG21 ABU 4 -0.519 -5.283 -3.616
26 2HG ABA 4 HG22 ABU 4 0.335 -4.959 -2.107
27 3HG ABA 4 HG23 ABU 4 1.115 -4.621 -3.652
28 H LEU 5 HN LEU 5 -3.067 -1.284 -1.268
29 HA LEU 5 HA LEU 5 -4.158 -0.465 -3.868
30 1HB LEU 5 HB2 LEU 5 -5.638 -0.917 -1.302
31 2HB LEU 5 HB1 LEU 5 -6.266 0.156 -2.541
32 HG LEU 5 HG LEU 5 -5.613 -2.756 -2.963
33 1HD1 LEU 5 HD11 LEU 5 -7.620 -3.266 -2.170
34 2HD1 LEU 5 HD12 LEU 5 -8.374 -2.128 -3.286
35 3HD1 LEU 5 HD13 LEU 5 -7.845 -1.582 -1.693
36 1HD2 LEU 5 HD21 LEU 5 -6.514 -2.534 -5.117
37 2HD2 LEU 5 HD22 LEU 5 -5.442 -1.146 -4.916
38 3HD2 LEU 5 HD23 LEU 5 -7.188 -0.943 -4.759
39 HA PRO 6 HA PRO 6 -2.082 3.211 -2.187
40 1HB PRO 6 HB2 PRO 6 -2.037 4.411 -4.673
41 2HB PRO 6 HB1 PRO 6 -0.769 3.359 -4.041
42 1HG PRO 6 HG2 PRO 6 -2.971 2.742 -5.944
43 2HG PRO 6 HG1 PRO 6 -1.303 2.149 -5.926
44 1HD PRO 6 HD2 PRO 6 -3.394 0.657 -5.076
45 2HD PRO 6 HD1 PRO 6 -1.773 0.512 -4.379
46 H GLY 7 HN GLY 7 -3.945 3.854 -1.026
47 1HA GLY 7 HA2 GLY 7 -6.102 5.117 -2.515
48 2HA GLY 7 HA1 GLY 7 -6.089 4.761 -0.795
49 H GLY 8 HN GLY 8 -5.185 6.238 0.652
50 1HA GLY 8 HA2 GLY 8 -4.474 8.846 -0.549
51 2HA GLY 8 HA1 GLY 8 -5.574 8.721 0.815
52 H GLY 9 HN GLY 9 -2.255 8.443 -0.240
53 1HA GLY 9 HA2 GLY 9 -0.584 9.414 1.238
54 2HA GLY 9 HA1 GLY 9 -1.458 8.709 2.590
55 H GLY 10 HN GLY 10 -0.841 6.981 -0.391
56 1HA GLY 10 HA2 GLY 10 1.546 5.702 0.333
57 2HA GLY 10 HA1 GLY 10 0.207 4.740 0.944
58 H VAL 11 HN VAL 11 2.112 3.963 -1.036
59 HA VAL 11 HA VAL 11 0.283 3.524 -3.309
60 HB VAL 11 HB VAL 11 3.295 3.601 -3.575
61 1HG1 VAL 11 HG11 VAL 11 1.307 4.002 -5.776
62 2HG1 VAL 11 HG12 VAL 11 1.724 2.377 -5.227
63 3HG1 VAL 11 HG13 VAL 11 2.980 3.441 -5.863
64 1HG2 VAL 11 HG21 VAL 11 1.705 5.823 -3.086
65 2HG2 VAL 11 HG22 VAL 11 1.922 5.813 -4.837
66 3HG2 VAL 11 HG23 VAL 11 3.330 5.818 -3.775
67 H CYS 12 HN CYS 12 0.480 1.447 -4.299
68 HA CYS 12 HA CYS 12 0.432 -0.649 -2.557
69 1HB CYS 12 HB2 CYS 12 -0.550 -0.774 -4.771
70 2HB CYS 12 HB1 CYS 12 1.051 -0.726 -5.504
71 1HN ABA 13 HN ABU 13 2.025 -1.288 -1.264
72 HA ABA 13 HA ABU 13 4.421 -2.387 -2.478
73 2HB ABA 13 HB ABU 13 3.078 -2.620 0.163
74 1HG ABA 13 HG21 ABU 13 2.987 -4.896 -0.353
75 2HG ABA 13 HG22 ABU 13 4.308 -4.778 -1.516
76 3HG ABA 13 HG23 ABU 13 2.725 -4.101 -1.906
77 H LEU 14 HN LEU 14 3.655 0.593 -1.525
78 HA LEU 14 HA LEU 14 6.461 1.163 -0.883
79 1HB LEU 14 HB2 LEU 14 4.407 3.028 -2.071
80 2HB LEU 14 HB1 LEU 14 6.128 3.321 -1.915
81 HG LEU 14 HG LEU 14 4.786 1.332 -3.757
82 1HD1 LEU 14 HD11 LEU 14 6.387 2.874 -5.287
83 2HD1 LEU 14 HD12 LEU 14 5.921 4.035 -4.042
84 3HD1 LEU 14 HD13 LEU 14 4.681 3.211 -4.989
85 1HD2 LEU 14 HD21 LEU 14 7.732 1.813 -3.291
86 2HD2 LEU 14 HD22 LEU 14 7.038 0.790 -4.548
87 3HD2 LEU 14 HD23 LEU 14 6.834 0.360 -2.851
88 1HN ABA 15 HN ABU 15 6.510 1.160 1.299
89 HA ABA 15 HA ABU 15 4.624 2.928 2.695
90 2HB ABA 15 HB ABU 15 6.585 3.497 4.235
91 1HG ABA 15 HG21 ABU 15 6.051 4.508 1.501
92 2HG ABA 15 HG22 ABU 15 7.483 5.122 2.328
93 3HG ABA 15 HG23 ABU 15 5.889 5.314 3.062
94 1HN DHA 16 HN DHA 16 4.320 2.427 4.903
95 2HB DHA 16 HB1 DHA 16 5.834 1.707 7.124
96 3HB DHA 16 HB2 DHA 16 5.219 0.069 7.778
97 H GLU 17 HN GLU 17 3.574 -0.181 3.743
98 HA GLU 17 HA GLU 17 2.142 -2.362 5.016
99 1HB GLU 17 HB2 GLU 17 1.280 -2.683 2.633
100 2HB GLU 17 HB1 GLU 17 0.807 -1.205 3.454
101 1HG GLU 17 HG2 GLU 17 2.565 0.009 2.260
102 2HG GLU 17 HG1 GLU 17 3.013 -1.477 1.425
103 H CYS 18 HN CYS 18 4.985 -1.761 3.155
104 HA CYS 18 HA CYS 18 5.449 -4.656 3.009
105 1HB CYS 18 HB2 CYS 18 5.970 -2.570 0.908
106 2HB CYS 18 HB1 CYS 18 6.824 -4.102 0.897
107 H ILE 19 HN ILE 19 7.424 -1.703 2.451
108 HA ILE 19 HA ILE 19 9.418 -2.944 4.226
109 HB ILE 19 HB ILE 19 9.949 -0.908 2.062
110 1HG1 ILE 19 HG12 ILE 19 10.404 -3.904 2.012
111 2HG1 ILE 19 HG11 ILE 19 9.122 -3.068 1.143
112 1HG2 ILE 19 HG21 ILE 19 11.585 -0.903 3.860
113 2HG2 ILE 19 HG22 ILE 19 12.290 -1.578 2.390
114 3HG2 ILE 19 HG23 ILE 19 11.790 -2.646 3.701
115 1HD1 ILE 19 HD11 ILE 19 11.478 -1.784 0.389
116 2HD1 ILE 19 HD12 ILE 19 10.509 -2.903 -0.570
117 3HD1 ILE 19 HD13 ILE 19 11.857 -3.506 0.396
118 1HN TEE 20 HN TEA 20 9.005 0.359 3.055
119 HB2 TEE 20 HB2 TEA 20 7.007 1.528 5.276
120 HA TEE 20 HA TEA 20 8.298 1.144 5.463
Start of MODEL 6
1 1H CYS 1 HT1 CYS 1 0.174 0.871 5.510
2 2H CYS 1 HT2 CYS 1 -0.110 2.299 4.646
3 3H CYS 1 HT3 CYS 1 0.695 1.002 3.901
4 HA CYS 1 HA CYS 1 -1.176 -0.137 3.489
5 1HB CYS 1 HB2 CYS 1 -1.490 0.077 6.145
6 2HB CYS 1 HB1 CYS 1 -2.802 1.138 5.632
7 1HN ABA 2 HN ABU 2 -3.480 2.100 1.887
8 HA ABA 2 HA ABU 2 -4.266 0.033 1.494
9 2HB ABA 2 HB ABU 2 -3.830 -1.652 3.494
10 1HG ABA 2 HG21 ABU 2 -5.834 -0.602 4.612
11 2HG ABA 2 HG22 ABU 2 -6.013 -0.972 2.895
12 3HG ABA 2 HG23 ABU 2 -5.718 0.688 3.416
13 H PHE 3 HN PHE 3 -3.210 -2.497 2.343
14 HA PHE 3 HA PHE 3 -0.527 -2.656 1.214
15 1HB PHE 3 HB2 PHE 3 -1.025 -4.132 3.081
16 2HB PHE 3 HB1 PHE 3 -2.427 -4.784 2.240
17 HD1 PHE 3 HD1 PHE 3 1.051 -4.170 1.034
18 HD2 PHE 3 HD2 PHE 3 -1.993 -7.023 1.894
19 HE1 PHE 3 HE1 PHE 3 2.444 -5.950 0.064
20 HE2 PHE 3 HE2 PHE 3 -0.599 -8.806 0.929
21 HZ PHE 3 HZ PHE 3 1.624 -8.269 0.014
22 1HN ABA 4 HN ABU 4 -0.795 -2.006 -0.916
23 HA ABA 4 HA ABU 4 -2.420 -3.832 -2.566
24 2HB ABA 4 HB ABU 4 -0.915 -2.623 -4.423
25 1HG ABA 4 HG21 ABU 4 0.560 -4.562 -4.348
26 2HG ABA 4 HG22 ABU 4 -1.109 -5.040 -4.038
27 3HG ABA 4 HG23 ABU 4 0.037 -4.917 -2.702
28 H LEU 5 HN LEU 5 -3.331 -1.417 -1.106
29 HA LEU 5 HA LEU 5 -4.355 0.060 -3.431
30 1HB LEU 5 HB2 LEU 5 -5.723 -0.938 -0.971
31 2HB LEU 5 HB1 LEU 5 -6.350 0.470 -1.808
32 HG LEU 5 HG LEU 5 -5.862 -2.146 -3.206
33 1HD1 LEU 5 HD11 LEU 5 -7.508 -2.254 -1.246
34 2HD1 LEU 5 HD12 LEU 5 -8.074 -2.808 -2.823
35 3HD1 LEU 5 HD13 LEU 5 -8.540 -1.214 -2.229
36 1HD2 LEU 5 HD21 LEU 5 -7.443 -1.226 -4.831
37 2HD2 LEU 5 HD22 LEU 5 -6.019 -0.200 -4.645
38 3HD2 LEU 5 HD23 LEU 5 -7.544 0.259 -3.883
39 HA PRO 6 HA PRO 6 -1.992 3.367 -1.441
40 1HB PRO 6 HB2 PRO 6 -3.223 4.739 -3.758
41 2HB PRO 6 HB1 PRO 6 -1.542 4.723 -3.223
42 1HG PRO 6 HG2 PRO 6 -2.377 3.312 -5.357
43 2HG PRO 6 HG1 PRO 6 -1.082 2.742 -4.291
44 1HD PRO 6 HD2 PRO 6 -3.883 1.793 -4.530
45 2HD PRO 6 HD1 PRO 6 -2.427 0.924 -4.020
46 H GLY 7 HN GLY 7 -3.142 3.847 0.348
47 1HA GLY 7 HA2 GLY 7 -4.871 6.054 0.385
48 2HA GLY 7 HA1 GLY 7 -5.853 4.595 0.425
49 H GLY 8 HN GLY 8 -4.102 6.807 2.267
50 1HA GLY 8 HA2 GLY 8 -4.617 6.618 4.697
51 2HA GLY 8 HA1 GLY 8 -4.119 4.941 4.561
52 H GLY 9 HN GLY 9 -2.044 6.311 2.565
53 1HA GLY 9 HA2 GLY 9 -0.111 7.758 3.178
54 2HA GLY 9 HA1 GLY 9 -0.118 6.919 4.725
55 H GLY 10 HN GLY 10 -0.479 5.653 1.428
56 1HA GLY 10 HA2 GLY 10 2.139 4.591 1.265
57 2HA GLY 10 HA1 GLY 10 1.046 3.366 1.893
58 H VAL 11 HN VAL 11 2.534 3.422 -0.582
59 HA VAL 11 HA VAL 11 0.318 3.323 -2.534
60 HB VAL 11 HB VAL 11 3.224 3.297 -3.311
61 1HG1 VAL 11 HG11 VAL 11 0.878 4.443 -4.790
62 2HG1 VAL 11 HG12 VAL 11 1.372 2.756 -4.928
63 3HG1 VAL 11 HG13 VAL 11 2.475 4.040 -5.419
64 1HG2 VAL 11 HG21 VAL 11 2.730 5.848 -3.761
65 2HG2 VAL 11 HG22 VAL 11 3.372 5.288 -2.217
66 3HG2 VAL 11 HG23 VAL 11 1.650 5.637 -2.382
67 H CYS 12 HN CYS 12 0.662 1.461 -4.151
68 HA CYS 12 HA CYS 12 0.592 -0.911 -2.725
69 1HB CYS 12 HB2 CYS 12 -0.414 -0.502 -4.978
70 2HB CYS 12 HB1 CYS 12 1.198 -0.663 -5.664
71 1HN ABA 13 HN ABU 13 2.306 -1.464 -1.512
72 HA ABA 13 HA ABU 13 4.652 -2.470 -2.919
73 2HB ABA 13 HB ABU 13 3.473 -2.882 -0.213
74 1HG ABA 13 HG21 ABU 13 2.790 -4.380 -1.954
75 2HG ABA 13 HG22 ABU 13 3.839 -5.253 -0.839
76 3HG ABA 13 HG23 ABU 13 4.467 -4.705 -2.394
77 H LEU 14 HN LEU 14 3.726 0.347 -1.470
78 HA LEU 14 HA LEU 14 6.507 1.085 -0.830
79 1HB LEU 14 HB2 LEU 14 4.470 2.897 -2.113
80 2HB LEU 14 HB1 LEU 14 6.180 3.199 -1.901
81 HG LEU 14 HG LEU 14 4.997 1.125 -3.764
82 1HD1 LEU 14 HD11 LEU 14 4.738 3.647 -4.277
83 2HD1 LEU 14 HD12 LEU 14 5.381 2.581 -5.526
84 3HD1 LEU 14 HD13 LEU 14 6.475 3.600 -4.585
85 1HD2 LEU 14 HD21 LEU 14 7.409 1.218 -4.647
86 2HD2 LEU 14 HD22 LEU 14 7.107 0.317 -3.162
87 3HD2 LEU 14 HD23 LEU 14 7.810 1.933 -3.085
88 1HN ABA 15 HN ABU 15 6.252 0.984 1.407
89 HA ABA 15 HA ABU 15 4.035 2.384 2.642
90 2HB ABA 15 HB ABU 15 5.888 3.599 4.121
91 1HG ABA 15 HG21 ABU 15 4.310 5.022 3.335
92 2HG ABA 15 HG22 ABU 15 4.384 4.374 1.696
93 3HG ABA 15 HG23 ABU 15 5.619 5.500 2.257
94 1HN DHA 16 HN DHA 16 4.223 2.305 5.026
95 2HB DHA 16 HB1 DHA 16 6.027 2.153 7.129
96 3HB DHA 16 HB2 DHA 16 5.798 0.519 8.008
97 H GLU 17 HN GLU 17 3.295 -0.293 4.540
98 HA GLU 17 HA GLU 17 2.876 -2.627 6.183
99 1HB GLU 17 HB2 GLU 17 1.021 -3.097 4.785
100 2HB GLU 17 HB1 GLU 17 1.019 -1.368 5.048
101 1HG GLU 17 HG2 GLU 17 1.949 -2.797 2.567
102 2HG GLU 17 HG1 GLU 17 0.443 -1.908 2.760
103 H CYS 18 HN CYS 18 4.917 -1.755 3.672
104 HA CYS 18 HA CYS 18 5.458 -4.585 3.082
105 1HB CYS 18 HB2 CYS 18 5.647 -2.171 1.295
106 2HB CYS 18 HB1 CYS 18 6.450 -3.686 0.905
107 H ILE 19 HN ILE 19 7.263 -1.540 2.572
108 HA ILE 19 HA ILE 19 9.444 -2.720 4.173
109 HB ILE 19 HB ILE 19 9.760 -0.682 1.958
110 1HG1 ILE 19 HG12 ILE 19 10.454 -3.628 1.966
111 2HG1 ILE 19 HG11 ILE 19 9.111 -2.906 1.087
112 1HG2 ILE 19 HG21 ILE 19 11.420 -0.612 3.829
113 2HG2 ILE 19 HG22 ILE 19 12.117 -0.950 2.245
114 3HG2 ILE 19 HG23 ILE 19 11.883 -2.260 3.403
115 1HD1 ILE 19 HD11 ILE 19 10.882 -1.485 -0.084
116 2HD1 ILE 19 HD12 ILE 19 10.782 -3.195 -0.508
117 3HD1 ILE 19 HD13 ILE 19 12.049 -2.628 0.578
118 1HN TEE 20 HN TEA 20 9.010 0.528 2.954
119 HB2 TEE 20 HB2 TEA 20 7.546 2.797 3.440
120 HA TEE 20 HA TEA 20 8.017 1.118 5.074
Start of MODEL 7
1 1H CYS 1 HT1 CYS 1 0.162 2.698 2.250
2 2H CYS 1 HT2 CYS 1 0.659 1.091 2.015
3 3H CYS 1 HT3 CYS 1 0.690 1.775 3.568
4 HA CYS 1 HA CYS 1 -1.265 0.230 2.667
5 1HB CYS 1 HB2 CYS 1 -0.966 0.850 4.972
6 2HB CYS 1 HB1 CYS 1 -1.400 2.521 4.629
7 1HN ABA 2 HN ABU 2 -3.923 1.816 0.997
8 HA ABA 2 HA ABU 2 -4.580 -0.255 1.610
9 2HB ABA 2 HB ABU 2 -3.395 -1.244 3.732
10 1HG ABA 2 HG21 ABU 2 -5.109 -0.386 5.018
11 2HG ABA 2 HG22 ABU 2 -5.732 -0.157 3.383
12 3HG ABA 2 HG23 ABU 2 -5.028 1.203 4.257
13 H PHE 3 HN PHE 3 -3.338 -2.505 2.421
14 HA PHE 3 HA PHE 3 -0.780 -2.907 1.212
15 1HB PHE 3 HB2 PHE 3 -1.576 -4.315 3.063
16 2HB PHE 3 HB1 PHE 3 -2.882 -4.919 2.048
17 HD1 PHE 3 HD1 PHE 3 0.796 -4.464 1.601
18 HD2 PHE 3 HD2 PHE 3 -2.548 -7.088 1.409
19 HE1 PHE 3 HE1 PHE 3 2.264 -6.272 0.807
20 HE2 PHE 3 HE2 PHE 3 -1.088 -8.897 0.615
21 HZ PHE 3 HZ PHE 3 1.315 -8.473 0.264
22 1HN ABA 4 HN ABU 4 -1.007 -2.126 -0.910
23 HA ABA 4 HA ABU 4 -2.450 -3.978 -2.690
24 2HB ABA 4 HB ABU 4 -0.850 -2.817 -4.437
25 1HG ABA 4 HG21 ABU 4 -0.647 -5.119 -4.194
26 2HG ABA 4 HG22 ABU 4 -0.206 -5.003 -2.490
27 3HG ABA 4 HG23 ABU 4 0.951 -4.534 -3.736
28 H LEU 5 HN LEU 5 -3.413 -1.467 -1.280
29 HA LEU 5 HA LEU 5 -4.315 -0.066 -3.703
30 1HB LEU 5 HB2 LEU 5 -5.825 -0.723 -1.187
31 2HB LEU 5 HB1 LEU 5 -6.403 0.426 -2.382
32 HG LEU 5 HG LEU 5 -5.793 -2.467 -2.950
33 1HD1 LEU 5 HD11 LEU 5 -8.353 -1.039 -2.298
34 2HD1 LEU 5 HD12 LEU 5 -7.689 -2.501 -1.567
35 3HD1 LEU 5 HD13 LEU 5 -8.331 -2.549 -3.210
36 1HD2 LEU 5 HD21 LEU 5 -7.408 -0.660 -4.687
37 2HD2 LEU 5 HD22 LEU 5 -6.501 -2.113 -5.108
38 3HD2 LEU 5 HD23 LEU 5 -5.646 -0.608 -4.762
39 HA PRO 6 HA PRO 6 -1.980 3.158 -1.497
40 1HB PRO 6 HB2 PRO 6 -1.842 4.687 -3.790
41 2HB PRO 6 HB1 PRO 6 -0.658 3.463 -3.327
42 1HG PRO 6 HG2 PRO 6 -2.915 3.279 -5.265
43 2HG PRO 6 HG1 PRO 6 -1.288 2.587 -5.368
44 1HD PRO 6 HD2 PRO 6 -3.451 1.111 -4.706
45 2HD PRO 6 HD1 PRO 6 -1.842 0.785 -4.042
46 H GLY 7 HN GLY 7 -3.804 3.771 -0.249
47 1HA GLY 7 HA2 GLY 7 -5.402 5.917 -1.485
48 2HA GLY 7 HA1 GLY 7 -6.160 4.668 -0.511
49 H GLY 8 HN GLY 8 -4.049 7.459 -0.474
50 1HA GLY 8 HA2 GLY 8 -3.621 8.992 1.173
51 2HA GLY 8 HA1 GLY 8 -5.041 8.365 1.992
52 H GLY 9 HN GLY 9 -2.072 6.594 1.224
53 1HA GLY 9 HA2 GLY 9 -0.935 6.863 3.809
54 2HA GLY 9 HA1 GLY 9 -1.864 5.375 3.717
55 H GLY 10 HN GLY 10 -0.299 6.544 0.845
56 1HA GLY 10 HA2 GLY 10 2.109 5.994 0.464
57 2HA GLY 10 HA1 GLY 10 1.739 4.437 1.195
58 H VAL 11 HN VAL 11 2.587 3.585 -0.840
59 HA VAL 11 HA VAL 11 0.463 3.543 -2.877
60 HB VAL 11 HB VAL 11 3.390 3.224 -3.568
61 1HG1 VAL 11 HG11 VAL 11 2.120 2.384 -5.321
62 2HG1 VAL 11 HG12 VAL 11 2.435 4.047 -5.817
63 3HG1 VAL 11 HG13 VAL 11 0.869 3.613 -5.134
64 1HG2 VAL 11 HG21 VAL 11 3.196 5.599 -4.458
65 2HG2 VAL 11 HG22 VAL 11 3.351 5.413 -2.711
66 3HG2 VAL 11 HG23 VAL 11 1.774 5.753 -3.425
67 H CYS 12 HN CYS 12 0.804 1.476 -4.326
68 HA CYS 12 HA CYS 12 0.435 -0.750 -2.682
69 1HB CYS 12 HB2 CYS 12 -0.495 -0.604 -4.935
70 2HB CYS 12 HB1 CYS 12 1.127 -0.661 -5.615
71 1HN ABA 13 HN ABU 13 2.126 -1.165 -1.311
72 HA ABA 13 HA ABU 13 4.393 -2.553 -2.496
73 2HB ABA 13 HB ABU 13 4.929 -3.002 -0.041
74 1HG ABA 13 HG21 ABU 13 2.492 -4.381 -0.149
75 2HG ABA 13 HG22 ABU 13 4.077 -4.949 -0.674
76 3HG ABA 13 HG23 ABU 13 3.000 -4.154 -1.822
77 H LEU 14 HN LEU 14 3.639 0.515 -1.325
78 HA LEU 14 HA LEU 14 6.481 1.116 -0.843
79 1HB LEU 14 HB2 LEU 14 4.500 2.974 -2.165
80 2HB LEU 14 HB1 LEU 14 6.221 3.235 -1.962
81 HG LEU 14 HG LEU 14 4.933 1.177 -3.774
82 1HD1 LEU 14 HD11 LEU 14 6.716 3.309 -4.786
83 2HD1 LEU 14 HD12 LEU 14 5.106 3.800 -4.258
84 3HD1 LEU 14 HD13 LEU 14 5.287 2.575 -5.514
85 1HD2 LEU 14 HD21 LEU 14 6.979 0.306 -4.251
86 2HD2 LEU 14 HD22 LEU 14 7.286 0.781 -2.581
87 3HD2 LEU 14 HD23 LEU 14 7.830 1.812 -3.906
88 1HN ABA 15 HN ABU 15 6.243 1.020 1.385
89 HA ABA 15 HA ABU 15 4.170 2.571 2.686
90 2HB ABA 15 HB ABU 15 6.164 3.578 4.149
91 1HG ABA 15 HG21 ABU 15 5.122 4.736 1.570
92 2HG ABA 15 HG22 ABU 15 5.887 5.657 2.867
93 3HG ABA 15 HG23 ABU 15 4.351 4.837 3.153
94 1HN DHA 16 HN DHA 16 4.235 2.316 5.013
95 2HB DHA 16 HB1 DHA 16 6.087 2.082 7.080
96 3HB DHA 16 HB2 DHA 16 5.785 0.461 7.965
97 H GLU 17 HN GLU 17 3.399 -0.359 4.372
98 HA GLU 17 HA GLU 17 2.734 -2.587 6.103
99 1HB GLU 17 HB2 GLU 17 0.996 -3.069 4.595
100 2HB GLU 17 HB1 GLU 17 1.064 -1.321 4.642
101 1HG GLU 17 HG2 GLU 17 2.500 -2.847 2.508
102 2HG GLU 17 HG1 GLU 17 0.775 -2.523 2.379
103 H CYS 18 HN CYS 18 5.001 -1.838 3.752
104 HA CYS 18 HA CYS 18 5.589 -4.689 3.318
105 1HB CYS 18 HB2 CYS 18 5.800 -2.396 1.370
106 2HB CYS 18 HB1 CYS 18 6.469 -3.993 1.072
107 H ILE 19 HN ILE 19 7.283 -1.628 2.582
108 HA ILE 19 HA ILE 19 9.638 -2.777 3.922
109 HB ILE 19 HB ILE 19 9.589 -0.643 1.779
110 1HG1 ILE 19 HG12 ILE 19 8.911 -2.824 0.889
111 2HG1 ILE 19 HG11 ILE 19 10.514 -2.386 0.305
112 1HG2 ILE 19 HG21 ILE 19 11.741 -0.282 2.200
113 2HG2 ILE 19 HG22 ILE 19 12.099 -2.006 2.144
114 3HG2 ILE 19 HG23 ILE 19 11.567 -1.266 3.653
115 1HD1 ILE 19 HD11 ILE 19 11.145 -4.413 0.943
116 2HD1 ILE 19 HD12 ILE 19 9.663 -4.667 1.866
117 3HD1 ILE 19 HD13 ILE 19 11.026 -3.822 2.600
118 1HN TEE 20 HN TEA 20 8.956 0.535 2.986
119 HB2 TEE 20 HB2 TEA 20 8.546 3.537 4.224
120 HA TEE 20 HA TEA 20 8.428 1.847 5.529
Start of MODEL 8
1 1H CYS 1 HT1 CYS 1 1.126 1.294 1.816
2 2H CYS 1 HT2 CYS 1 0.972 2.586 2.905
3 3H CYS 1 HT3 CYS 1 0.333 2.715 1.342
4 HA CYS 1 HA CYS 1 -0.787 0.455 2.407
5 1HB CYS 1 HB2 CYS 1 -0.125 1.215 4.617
6 2HB CYS 1 HB1 CYS 1 -0.822 2.802 4.312
7 1HN ABA 2 HN ABU 2 -3.784 1.789 1.153
8 HA ABA 2 HA ABU 2 -4.158 -0.322 1.894
9 2HB ABA 2 HB ABU 2 -2.480 -1.131 3.792
10 1HG ABA 2 HG21 ABU 2 -3.941 0.242 5.422
11 2HG ABA 2 HG22 ABU 2 -4.734 -0.905 4.342
12 3HG ABA 2 HG23 ABU 2 -4.751 0.817 3.965
13 H PHE 3 HN PHE 3 -2.763 -2.497 2.401
14 HA PHE 3 HA PHE 3 -0.349 -2.764 0.885
15 1HB PHE 3 HB2 PHE 3 -0.728 -4.265 2.736
16 2HB PHE 3 HB1 PHE 3 -2.244 -4.817 2.037
17 HD1 PHE 3 HD1 PHE 3 1.224 -4.432 0.698
18 HD2 PHE 3 HD2 PHE 3 -2.109 -6.994 1.355
19 HE1 PHE 3 HE1 PHE 3 2.397 -6.252 -0.473
20 HE2 PHE 3 HE2 PHE 3 -0.942 -8.815 0.186
21 HZ PHE 3 HZ PHE 3 1.310 -8.446 -0.729
22 1HN ABA 4 HN ABU 4 -0.876 -1.956 -1.168
23 HA ABA 4 HA ABU 4 -2.475 -3.825 -2.791
24 2HB ABA 4 HB ABU 4 -1.015 -2.470 -4.636
25 1HG ABA 4 HG21 ABU 4 0.582 -4.492 -4.427
26 2HG ABA 4 HG22 ABU 4 -1.123 -4.794 -4.765
27 3HG ABA 4 HG23 ABU 4 -0.497 -5.012 -3.130
28 H LEU 5 HN LEU 5 -3.379 -1.431 -1.278
29 HA LEU 5 HA LEU 5 -4.528 0.025 -3.559
30 1HB LEU 5 HB2 LEU 5 -5.801 -0.735 -0.937
31 2HB LEU 5 HB1 LEU 5 -6.540 0.332 -2.118
32 HG LEU 5 HG LEU 5 -5.724 -2.500 -2.727
33 1HD1 LEU 5 HD11 LEU 5 -7.764 -3.279 -2.082
34 2HD1 LEU 5 HD12 LEU 5 -8.583 -1.759 -2.445
35 3HD1 LEU 5 HD13 LEU 5 -7.653 -1.928 -0.953
36 1HD2 LEU 5 HD21 LEU 5 -6.097 -0.583 -4.505
37 2HD2 LEU 5 HD22 LEU 5 -7.795 -0.977 -4.224
38 3HD2 LEU 5 HD23 LEU 5 -6.681 -2.225 -4.783
39 HA PRO 6 HA PRO 6 -2.200 3.254 -1.289
40 1HB PRO 6 HB2 PRO 6 -2.344 4.443 -3.980
41 2HB PRO 6 HB1 PRO 6 -0.939 4.176 -2.947
42 1HG PRO 6 HG2 PRO 6 -1.346 2.696 -5.132
43 2HG PRO 6 HG1 PRO 6 -0.667 1.991 -3.653
44 1HD PRO 6 HD2 PRO 6 -3.453 1.838 -4.702
45 2HD PRO 6 HD1 PRO 6 -2.478 0.559 -3.968
46 H GLY 7 HN GLY 7 -2.707 5.529 -1.027
47 1HA GLY 7 HA2 GLY 7 -4.321 7.325 -1.662
48 2HA GLY 7 HA1 GLY 7 -5.554 6.074 -1.558
49 H GLY 8 HN GLY 8 -3.374 8.123 0.224
50 1HA GLY 8 HA2 GLY 8 -4.369 9.041 2.306
51 2HA GLY 8 HA1 GLY 8 -4.826 7.389 2.694
52 H GLY 9 HN GLY 9 -1.796 7.626 1.175
53 1HA GLY 9 HA2 GLY 9 0.267 8.256 2.357
54 2HA GLY 9 HA1 GLY 9 -0.452 7.570 3.806
55 H GLY 10 HN GLY 10 1.011 6.856 0.707
56 1HA GLY 10 HA2 GLY 10 2.644 4.977 0.825
57 2HA GLY 10 HA1 GLY 10 1.352 4.068 1.604
58 H VAL 11 HN VAL 11 2.785 3.438 -0.827
59 HA VAL 11 HA VAL 11 0.539 3.532 -2.736
60 HB VAL 11 HB VAL 11 3.374 2.983 -3.584
61 1HG1 VAL 11 HG11 VAL 11 2.037 4.498 -5.497
62 2HG1 VAL 11 HG12 VAL 11 0.821 3.380 -4.878
63 3HG1 VAL 11 HG13 VAL 11 2.333 2.759 -5.540
64 1HG2 VAL 11 HG21 VAL 11 2.394 5.756 -3.877
65 2HG2 VAL 11 HG22 VAL 11 4.028 5.152 -3.602
66 3HG2 VAL 11 HG23 VAL 11 2.891 5.264 -2.259
67 H CYS 12 HN CYS 12 1.115 1.506 -4.405
68 HA CYS 12 HA CYS 12 0.400 -0.746 -2.868
69 1HB CYS 12 HB2 CYS 12 -0.381 -0.386 -5.159
70 2HB CYS 12 HB1 CYS 12 1.265 -0.573 -5.749
71 1HN ABA 13 HN ABU 13 2.062 -1.311 -1.417
72 HA ABA 13 HA ABU 13 4.362 -2.629 -2.653
73 2HB ABA 13 HB ABU 13 2.833 -3.179 -0.338
74 1HG ABA 13 HG21 ABU 13 5.027 -4.910 -0.397
75 2HG ABA 13 HG22 ABU 13 4.758 -4.435 -2.074
76 3HG ABA 13 HG23 ABU 13 3.448 -5.160 -1.141
77 H LEU 14 HN LEU 14 3.538 0.314 -1.311
78 HA LEU 14 HA LEU 14 6.345 0.937 -0.704
79 1HB LEU 14 HB2 LEU 14 4.372 2.745 -2.101
80 2HB LEU 14 HB1 LEU 14 6.045 3.119 -1.740
81 HG LEU 14 HG LEU 14 5.074 1.024 -3.695
82 1HD1 LEU 14 HD11 LEU 14 6.674 3.499 -4.276
83 2HD1 LEU 14 HD12 LEU 14 4.911 3.493 -4.296
84 3HD1 LEU 14 HD13 LEU 14 5.808 2.453 -5.400
85 1HD2 LEU 14 HD21 LEU 14 7.079 0.199 -2.753
86 2HD2 LEU 14 HD22 LEU 14 7.832 1.792 -2.761
87 3HD2 LEU 14 HD23 LEU 14 7.533 0.950 -4.282
88 1HN ABA 15 HN ABU 15 6.216 0.967 1.480
89 HA ABA 15 HA ABU 15 4.079 2.432 2.807
90 2HB ABA 15 HB ABU 15 6.097 3.600 4.123
91 1HG ABA 15 HG21 ABU 15 4.446 5.016 3.433
92 2HG ABA 15 HG22 ABU 15 4.459 4.399 1.780
93 3HG ABA 15 HG23 ABU 15 5.723 5.507 2.319
94 1HN DHA 16 HN DHA 16 4.375 2.354 5.186
95 2HB DHA 16 HB1 DHA 16 6.166 2.262 7.235
96 3HB DHA 16 HB2 DHA 16 6.028 0.625 8.130
97 H GLU 17 HN GLU 17 3.416 -0.302 4.797
98 HA GLU 17 HA GLU 17 3.144 -2.628 6.459
99 1HB GLU 17 HB2 GLU 17 1.262 -3.168 5.086
100 2HB GLU 17 HB1 GLU 17 1.217 -1.442 5.381
101 1HG GLU 17 HG2 GLU 17 2.397 -2.596 2.880
102 2HG GLU 17 HG1 GLU 17 0.675 -2.265 3.032
103 H CYS 18 HN CYS 18 5.094 -1.771 3.864
104 HA CYS 18 HA CYS 18 5.591 -4.603 3.261
105 1HB CYS 18 HB2 CYS 18 5.728 -2.252 1.372
106 2HB CYS 18 HB1 CYS 18 6.253 -3.881 0.977
107 H ILE 19 HN ILE 19 7.236 -1.463 2.702
108 HA ILE 19 HA ILE 19 9.598 -2.654 3.986
109 HB ILE 19 HB ILE 19 9.628 -0.645 1.723
110 1HG1 ILE 19 HG12 ILE 19 11.107 -2.606 0.757
111 2HG1 ILE 19 HG11 ILE 19 10.196 -3.584 1.900
112 1HG2 ILE 19 HG21 ILE 19 11.954 -1.890 3.189
113 2HG2 ILE 19 HG22 ILE 19 11.384 -0.235 3.408
114 3HG2 ILE 19 HG23 ILE 19 12.048 -0.741 1.854
115 1HD1 ILE 19 HD11 ILE 19 8.112 -2.695 0.817
116 2HD1 ILE 19 HD12 ILE 19 9.109 -3.760 -0.177
117 3HD1 ILE 19 HD13 ILE 19 9.155 -2.016 -0.433
118 1HN TEE 20 HN TEA 20 9.123 0.658 2.945
119 HB2 TEE 20 HB2 TEA 20 8.572 3.737 4.406
120 HA TEE 20 HA TEA 20 8.531 1.442 5.590
Start of MODEL 9
1 1H CYS 1 HT1 CYS 1 1.795 1.227 2.167
2 2H CYS 1 HT2 CYS 1 1.314 2.844 2.365
3 3H CYS 1 HT3 CYS 1 1.083 2.067 0.878
4 HA CYS 1 HA CYS 1 -0.388 0.451 2.058
5 1HB CYS 1 HB2 CYS 1 0.649 1.533 4.284
6 2HB CYS 1 HB1 CYS 1 -0.788 2.538 4.136
7 1HN ABA 2 HN ABU 2 -3.267 2.300 1.081
8 HA ABA 2 HA ABU 2 -3.961 0.248 1.729
9 2HB ABA 2 HB ABU 2 -2.585 -0.722 3.754
10 1HG ABA 2 HG21 ABU 2 -4.781 -0.038 4.128
11 2HG ABA 2 HG22 ABU 2 -4.424 1.639 3.721
12 3HG ABA 2 HG23 ABU 2 -3.838 0.958 5.237
13 H PHE 3 HN PHE 3 -2.621 -2.036 2.631
14 HA PHE 3 HA PHE 3 -0.321 -2.653 1.095
15 1HB PHE 3 HB2 PHE 3 -0.871 -3.939 3.090
16 2HB PHE 3 HB1 PHE 3 -2.368 -4.496 2.348
17 HD1 PHE 3 HD1 PHE 3 1.088 -4.261 0.983
18 HD2 PHE 3 HD2 PHE 3 -2.168 -6.781 2.059
19 HE1 PHE 3 HE1 PHE 3 2.291 -6.203 0.072
20 HE2 PHE 3 HE2 PHE 3 -0.970 -8.724 1.147
21 HZ PHE 3 HZ PHE 3 1.225 -8.417 0.070
22 1HN ABA 4 HN ABU 4 -0.763 -1.988 -1.012
23 HA ABA 4 HA ABU 4 -2.408 -3.893 -2.519
24 2HB ABA 4 HB ABU 4 -0.979 -2.725 -4.459
25 1HG ABA 4 HG21 ABU 4 -0.509 -4.904 -4.575
26 2HG ABA 4 HG22 ABU 4 -0.721 -5.113 -2.836
27 3HG ABA 4 HG23 ABU 4 0.834 -4.582 -3.479
28 H LEU 5 HN LEU 5 -3.122 -1.212 -1.148
29 HA LEU 5 HA LEU 5 -4.395 -0.030 -3.520
30 1HB LEU 5 HB2 LEU 5 -5.554 -0.693 -0.839
31 2HB LEU 5 HB1 LEU 5 -6.303 0.496 -1.893
32 HG LEU 5 HG LEU 5 -5.737 -2.343 -2.715
33 1HD1 LEU 5 HD11 LEU 5 -8.381 -1.176 -1.857
34 2HD1 LEU 5 HD12 LEU 5 -7.352 -2.151 -0.809
35 3HD1 LEU 5 HD13 LEU 5 -8.032 -2.854 -2.277
36 1HD2 LEU 5 HD21 LEU 5 -5.960 -0.496 -4.445
37 2HD2 LEU 5 HD22 LEU 5 -7.653 -0.390 -3.946
38 3HD2 LEU 5 HD23 LEU 5 -7.025 -1.894 -4.619
39 HA PRO 6 HA PRO 6 -2.296 3.574 -1.669
40 1HB PRO 6 HB2 PRO 6 -1.880 4.741 -4.088
41 2HB PRO 6 HB1 PRO 6 -0.773 3.559 -3.383
42 1HG PRO 6 HG2 PRO 6 -2.794 3.214 -5.531
43 2HG PRO 6 HG1 PRO 6 -1.212 2.447 -5.341
44 1HD PRO 6 HD2 PRO 6 -3.633 1.252 -4.740
45 2HD PRO 6 HD1 PRO 6 -2.069 0.760 -4.084
46 H GLY 7 HN GLY 7 -4.329 4.205 -0.770
47 1HA GLY 7 HA2 GLY 7 -6.000 5.805 -2.616
48 2HA GLY 7 HA1 GLY 7 -6.660 4.838 -1.309
49 H GLY 8 HN GLY 8 -3.789 6.857 -1.029
50 1HA GLY 8 HA2 GLY 8 -4.071 9.212 -0.298
51 2HA GLY 8 HA1 GLY 8 -5.353 8.626 0.752
52 H GLY 9 HN GLY 9 -1.980 7.722 0.062
53 1HA GLY 9 HA2 GLY 9 -0.947 8.452 2.567
54 2HA GLY 9 HA1 GLY 9 -1.443 6.766 2.654
55 H GLY 10 HN GLY 10 -0.427 5.233 1.325
56 1HA GLY 10 HA2 GLY 10 2.123 6.152 0.160
57 2HA GLY 10 HA1 GLY 10 1.927 4.580 0.928
58 H VAL 11 HN VAL 11 2.631 3.608 -1.060
59 HA VAL 11 HA VAL 11 0.450 3.515 -3.041
60 HB VAL 11 HB VAL 11 3.331 3.098 -3.827
61 1HG1 VAL 11 HG11 VAL 11 1.826 4.279 -5.883
62 2HG1 VAL 11 HG12 VAL 11 0.808 3.021 -5.180
63 3HG1 VAL 11 HG13 VAL 11 2.413 2.617 -5.789
64 1HG2 VAL 11 HG21 VAL 11 3.769 5.303 -4.139
65 2HG2 VAL 11 HG22 VAL 11 2.679 5.442 -2.762
66 3HG2 VAL 11 HG23 VAL 11 2.075 5.722 -4.395
67 H CYS 12 HN CYS 12 0.860 1.420 -4.483
68 HA CYS 12 HA CYS 12 0.465 -0.791 -2.793
69 1HB CYS 12 HB2 CYS 12 -0.452 -0.604 -5.078
70 2HB CYS 12 HB1 CYS 12 1.177 -0.757 -5.723
71 1HN ABA 13 HN ABU 13 2.123 -1.433 -1.473
72 HA ABA 13 HA ABU 13 4.484 -2.522 -2.789
73 2HB ABA 13 HB ABU 13 4.898 -3.065 -0.179
74 1HG ABA 13 HG21 ABU 13 5.034 -4.862 -1.577
75 2HG ABA 13 HG22 ABU 13 3.506 -4.495 -2.376
76 3HG ABA 13 HG23 ABU 13 3.507 -5.224 -0.770
77 H LEU 14 HN LEU 14 3.534 0.333 -1.420
78 HA LEU 14 HA LEU 14 6.313 1.048 -0.778
79 1HB LEU 14 HB2 LEU 14 4.267 2.829 -2.105
80 2HB LEU 14 HB1 LEU 14 5.949 3.212 -1.800
81 HG LEU 14 HG LEU 14 4.891 1.175 -3.774
82 1HD1 LEU 14 HD11 LEU 14 6.536 3.647 -4.274
83 2HD1 LEU 14 HD12 LEU 14 4.775 3.620 -4.358
84 3HD1 LEU 14 HD13 LEU 14 5.725 2.620 -5.456
85 1HD2 LEU 14 HD21 LEU 14 7.103 0.580 -4.303
86 2HD2 LEU 14 HD22 LEU 14 7.042 0.553 -2.540
87 3HD2 LEU 14 HD23 LEU 14 7.779 1.921 -3.376
88 1HN ABA 15 HN ABU 15 6.259 1.083 1.387
89 HA ABA 15 HA ABU 15 4.068 2.436 2.762
90 2HB ABA 15 HB ABU 15 6.525 3.203 4.038
91 1HG ABA 15 HG21 ABU 15 7.785 4.154 2.458
92 2HG ABA 15 HG22 ABU 15 6.387 4.748 1.564
93 3HG ABA 15 HG23 ABU 15 6.928 3.084 1.352
94 1HN DHA 16 HN DHA 16 4.557 2.326 5.170
95 2HB DHA 16 HB1 DHA 16 6.354 1.983 7.119
96 3HB DHA 16 HB2 DHA 16 6.117 0.337 7.977
97 H GLU 17 HN GLU 17 3.489 -0.396 4.549
98 HA GLU 17 HA GLU 17 2.996 -2.701 6.225
99 1HB GLU 17 HB2 GLU 17 1.150 -3.132 4.839
100 2HB GLU 17 HB1 GLU 17 1.228 -1.384 4.914
101 1HG GLU 17 HG2 GLU 17 2.423 -2.959 2.656
102 2HG GLU 17 HG1 GLU 17 0.746 -2.429 2.660
103 H CYS 18 HN CYS 18 5.040 -1.836 3.692
104 HA CYS 18 HA CYS 18 5.617 -4.660 3.122
105 1HB CYS 18 HB2 CYS 18 5.738 -2.273 1.281
106 2HB CYS 18 HB1 CYS 18 6.394 -3.852 0.873
107 H ILE 19 HN ILE 19 7.189 -1.459 2.770
108 HA ILE 19 HA ILE 19 9.568 -2.652 4.037
109 HB ILE 19 HB ILE 19 9.599 -0.508 1.903
110 1HG1 ILE 19 HG12 ILE 19 10.393 -3.431 1.781
111 2HG1 ILE 19 HG11 ILE 19 9.008 -2.701 0.975
112 1HG2 ILE 19 HG21 ILE 19 11.394 -0.443 3.679
113 2HG2 ILE 19 HG22 ILE 19 11.966 -0.591 2.016
114 3HG2 ILE 19 HG23 ILE 19 11.936 -2.007 3.068
115 1HD1 ILE 19 HD11 ILE 19 10.685 -2.984 -0.653
116 2HD1 ILE 19 HD12 ILE 19 11.920 -2.279 0.392
117 3HD1 ILE 19 HD13 ILE 19 10.641 -1.263 -0.276
118 1HN TEE 20 HN TEA 20 8.931 0.690 3.122
119 HB2 TEE 20 HB2 TEA 20 7.143 2.536 4.421
120 HA TEE 20 HA TEA 20 8.122 1.316 5.431
Start of MODEL 10
1 1H CYS 1 HT1 CYS 1 1.605 1.129 2.079
2 2H CYS 1 HT2 CYS 1 1.203 2.736 2.444
3 3H CYS 1 HT3 CYS 1 0.732 2.058 0.966
4 HA CYS 1 HA CYS 1 -0.460 0.334 2.450
5 1HB CYS 1 HB2 CYS 1 0.409 1.136 4.551
6 2HB CYS 1 HB1 CYS 1 -0.167 2.766 4.220
7 1HN ABA 2 HN ABU 2 -3.503 1.745 1.402
8 HA ABA 2 HA ABU 2 -3.906 -0.286 2.312
9 2HB ABA 2 HB ABU 2 -2.110 -1.050 4.121
10 1HG ABA 2 HG21 ABU 2 -4.033 -0.757 5.209
11 2HG ABA 2 HG22 ABU 2 -4.513 0.574 4.157
12 3HG ABA 2 HG23 ABU 2 -3.475 0.880 5.547
13 H PHE 3 HN PHE 3 -2.818 -2.548 2.654
14 HA PHE 3 HA PHE 3 -0.409 -3.042 1.196
15 1HB PHE 3 HB2 PHE 3 -1.116 -4.475 3.055
16 2HB PHE 3 HB1 PHE 3 -2.544 -4.959 2.149
17 HD1 PHE 3 HD1 PHE 3 0.984 -4.613 1.018
18 HD2 PHE 3 HD2 PHE 3 -2.294 -7.225 1.754
19 HE1 PHE 3 HE1 PHE 3 2.256 -6.482 0.043
20 HE2 PHE 3 HE2 PHE 3 -1.031 -9.094 0.776
21 HZ PHE 3 HZ PHE 3 1.227 -8.697 -0.153
22 1HN ABA 4 HN ABU 4 -0.850 -2.082 -0.839
23 HA ABA 4 HA ABU 4 -2.482 -3.819 -2.573
24 2HB ABA 4 HB ABU 4 -0.914 -2.716 -4.389
25 1HG ABA 4 HG21 ABU 4 0.456 -4.776 -2.730
26 2HG ABA 4 HG22 ABU 4 0.219 -4.704 -4.477
27 3HG ABA 4 HG23 ABU 4 -1.120 -5.160 -3.426
28 H LEU 5 HN LEU 5 -3.266 -1.343 -1.070
29 HA LEU 5 HA LEU 5 -4.334 0.078 -3.409
30 1HB LEU 5 HB2 LEU 5 -5.537 -0.574 -0.739
31 2HB LEU 5 HB1 LEU 5 -6.202 0.688 -1.762
32 HG LEU 5 HG LEU 5 -5.795 -2.083 -2.819
33 1HD1 LEU 5 HD11 LEU 5 -7.461 -1.457 -0.651
34 2HD1 LEU 5 HD12 LEU 5 -7.473 -2.926 -1.626
35 3HD1 LEU 5 HD13 LEU 5 -8.515 -1.571 -2.062
36 1HD2 LEU 5 HD21 LEU 5 -8.106 -0.544 -3.661
37 2HD2 LEU 5 HD22 LEU 5 -6.847 -1.323 -4.624
38 3HD2 LEU 5 HD23 LEU 5 -6.582 0.292 -3.962
39 HA PRO 6 HA PRO 6 -1.763 3.446 -1.797
40 1HB PRO 6 HB2 PRO 6 -3.024 4.747 -4.127
41 2HB PRO 6 HB1 PRO 6 -1.317 4.608 -3.704
42 1HG PRO 6 HG2 PRO 6 -2.462 3.175 -5.699
43 2HG PRO 6 HG1 PRO 6 -1.096 2.580 -4.743
44 1HD PRO 6 HD2 PRO 6 -3.951 1.779 -4.644
45 2HD PRO 6 HD1 PRO 6 -2.497 0.857 -4.246
46 H GLY 7 HN GLY 7 -2.965 3.929 0.027
47 1HA GLY 7 HA2 GLY 7 -4.663 6.207 -0.097
48 2HA GLY 7 HA1 GLY 7 -5.603 4.738 0.141
49 H GLY 8 HN GLY 8 -3.719 7.134 1.615
50 1HA GLY 8 HA2 GLY 8 -4.142 7.182 4.112
51 2HA GLY 8 HA1 GLY 8 -3.524 5.537 4.091
52 H GLY 9 HN GLY 9 -1.794 7.068 1.793
53 1HA GLY 9 HA2 GLY 9 0.029 8.673 2.128
54 2HA GLY 9 HA1 GLY 9 0.228 7.998 3.740
55 H GLY 10 HN GLY 10 -0.266 6.282 0.683
56 1HA GLY 10 HA2 GLY 10 2.450 5.526 0.353
57 2HA GLY 10 HA1 GLY 10 1.574 4.289 1.242
58 H VAL 11 HN VAL 11 2.688 3.675 -1.147
59 HA VAL 11 HA VAL 11 0.356 3.466 -2.946
60 HB VAL 11 HB VAL 11 3.210 3.191 -3.881
61 1HG1 VAL 11 HG11 VAL 11 2.077 2.532 -5.698
62 2HG1 VAL 11 HG12 VAL 11 1.749 4.250 -5.924
63 3HG1 VAL 11 HG13 VAL 11 0.561 3.223 -5.119
64 1HG2 VAL 11 HG21 VAL 11 1.800 5.643 -3.141
65 2HG2 VAL 11 HG22 VAL 11 2.471 5.656 -4.773
66 3HG2 VAL 11 HG23 VAL 11 3.522 5.351 -3.387
67 H CYS 12 HN CYS 12 0.845 1.397 -4.451
68 HA CYS 12 HA CYS 12 0.556 -0.809 -2.748
69 1HB CYS 12 HB2 CYS 12 -0.398 -0.627 -5.028
70 2HB CYS 12 HB1 CYS 12 1.225 -0.796 -5.686
71 1HN ABA 13 HN ABU 13 2.208 -1.449 -1.468
72 HA ABA 13 HA ABU 13 4.588 -2.480 -2.795
73 2HB ABA 13 HB ABU 13 5.094 -3.522 -0.628
74 1HG ABA 13 HG21 ABU 13 2.858 -4.901 -0.564
75 2HG ABA 13 HG22 ABU 13 3.941 -4.992 -1.954
76 3HG ABA 13 HG23 ABU 13 2.502 -3.973 -2.024
77 H LEU 14 HN LEU 14 3.654 0.363 -1.540
78 HA LEU 14 HA LEU 14 6.408 1.075 -0.788
79 1HB LEU 14 HB2 LEU 14 4.375 2.873 -2.106
80 2HB LEU 14 HB1 LEU 14 6.076 3.204 -1.851
81 HG LEU 14 HG LEU 14 4.940 1.137 -3.751
82 1HD1 LEU 14 HD11 LEU 14 5.797 2.597 -5.496
83 2HD1 LEU 14 HD12 LEU 14 6.352 3.752 -4.285
84 3HD1 LEU 14 HD13 LEU 14 4.626 3.454 -4.491
85 1HD2 LEU 14 HD21 LEU 14 7.194 0.728 -4.448
86 2HD2 LEU 14 HD22 LEU 14 7.120 0.517 -2.698
87 3HD2 LEU 14 HD23 LEU 14 7.810 1.990 -3.380
88 1HN ABA 15 HN ABU 15 6.274 1.089 1.398
89 HA ABA 15 HA ABU 15 4.046 2.455 2.704
90 2HB ABA 15 HB ABU 15 5.976 3.585 4.158
91 1HG ABA 15 HG21 ABU 15 4.668 4.503 1.625
92 2HG ABA 15 HG22 ABU 15 5.710 5.579 2.556
93 3HG ABA 15 HG23 ABU 15 4.260 4.904 3.297
94 1HN DHA 16 HN DHA 16 4.254 2.287 5.093
95 2HB DHA 16 HB1 DHA 16 6.075 2.052 7.145
96 3HB DHA 16 HB2 DHA 16 5.843 0.401 7.992
97 H GLU 17 HN GLU 17 3.392 -0.396 4.443
98 HA GLU 17 HA GLU 17 2.831 -2.691 6.107
99 1HB GLU 17 HB2 GLU 17 1.044 -3.131 4.660
100 2HB GLU 17 HB1 GLU 17 1.120 -1.381 4.721
101 1HG GLU 17 HG2 GLU 17 2.400 -2.983 2.526
102 2HG GLU 17 HG1 GLU 17 0.721 -2.459 2.457
103 H CYS 18 HN CYS 18 4.969 -1.846 3.638
104 HA CYS 18 HA CYS 18 5.588 -4.680 3.136
105 1HB CYS 18 HB2 CYS 18 5.774 -2.335 1.244
106 2HB CYS 18 HB1 CYS 18 6.408 -3.935 0.890
107 H ILE 19 HN ILE 19 7.163 -1.495 2.676
108 HA ILE 19 HA ILE 19 9.554 -2.673 3.933
109 HB ILE 19 HB ILE 19 9.577 -0.425 1.914
110 1HG1 ILE 19 HG12 ILE 19 8.809 -2.508 0.852
111 2HG1 ILE 19 HG11 ILE 19 10.409 -2.050 0.282
112 1HG2 ILE 19 HG21 ILE 19 11.867 -2.148 2.813
113 2HG2 ILE 19 HG22 ILE 19 11.440 -0.640 3.616
114 3HG2 ILE 19 HG23 ILE 19 11.928 -0.629 1.920
115 1HD1 ILE 19 HD11 ILE 19 10.100 -3.998 2.523
116 2HD1 ILE 19 HD12 ILE 19 11.445 -3.791 1.402
117 3HD1 ILE 19 HD13 ILE 19 9.937 -4.517 0.846
118 1HN TEE 20 HN TEA 20 8.973 0.659 3.054
119 HB2 TEE 20 HB2 TEA 20 7.664 3.208 5.532
120 HA TEE 20 HA TEA 20 8.689 1.985 5.870
Start of MODEL 11
1 1H CYS 1 HT1 CYS 1 -0.321 1.649 2.476
2 2H CYS 1 HT2 CYS 1 -0.664 2.335 3.989
3 3H CYS 1 HT3 CYS 1 -1.081 3.165 2.573
4 HA CYS 1 HA CYS 1 -2.187 0.528 2.746
5 1HB CYS 1 HB2 CYS 1 -2.284 1.103 5.097
6 2HB CYS 1 HB1 CYS 1 -2.967 2.680 4.718
7 1HN ABA 2 HN ABU 2 -4.755 1.835 0.727
8 HA ABA 2 HA ABU 2 -5.209 -0.330 1.176
9 2HB ABA 2 HB ABU 2 -4.233 -1.310 3.376
10 1HG ABA 2 HG21 ABU 2 -6.077 -0.436 4.610
11 2HG ABA 2 HG22 ABU 2 -6.583 -0.578 2.926
12 3HG ABA 2 HG23 ABU 2 -6.155 0.999 3.588
13 H PHE 3 HN PHE 3 -3.626 -2.379 2.251
14 HA PHE 3 HA PHE 3 -0.993 -2.379 1.125
15 1HB PHE 3 HB2 PHE 3 -1.496 -3.790 3.032
16 2HB PHE 3 HB1 PHE 3 -2.767 -4.614 2.137
17 HD1 PHE 3 HD1 PHE 3 0.768 -3.771 1.275
18 HD2 PHE 3 HD2 PHE 3 -2.169 -6.797 1.834
19 HE1 PHE 3 HE1 PHE 3 2.381 -5.473 0.531
20 HE2 PHE 3 HE2 PHE 3 -0.560 -8.501 1.094
21 HZ PHE 3 HZ PHE 3 1.719 -7.839 0.440
22 1HN ABA 4 HN ABU 4 -1.249 -1.801 -1.055
23 HA ABA 4 HA ABU 4 -2.503 -3.883 -2.723
24 2HB ABA 4 HB ABU 4 -0.886 -2.706 -4.512
25 1HG ABA 4 HG21 ABU 4 -0.168 -4.891 -2.563
26 2HG ABA 4 HG22 ABU 4 0.769 -4.518 -4.011
27 3HG ABA 4 HG23 ABU 4 -0.901 -5.066 -4.158
28 H LEU 5 HN LEU 5 -3.648 -1.418 -1.511
29 HA LEU 5 HA LEU 5 -4.413 -0.048 -3.994
30 1HB LEU 5 HB2 LEU 5 -6.163 -0.932 -1.714
31 2HB LEU 5 HB1 LEU 5 -6.681 0.221 -2.933
32 HG LEU 5 HG LEU 5 -5.716 -2.552 -3.578
33 1HD1 LEU 5 HD11 LEU 5 -8.468 -2.345 -4.076
34 2HD1 LEU 5 HD12 LEU 5 -8.220 -1.698 -2.452
35 3HD1 LEU 5 HD13 LEU 5 -7.670 -3.327 -2.847
36 1HD2 LEU 5 HD21 LEU 5 -6.550 -2.159 -5.755
37 2HD2 LEU 5 HD22 LEU 5 -5.599 -0.737 -5.321
38 3HD2 LEU 5 HD23 LEU 5 -7.361 -0.675 -5.253
39 HA PRO 6 HA PRO 6 -2.453 3.145 -1.359
40 1HB PRO 6 HB2 PRO 6 -2.673 4.373 -4.059
41 2HB PRO 6 HB1 PRO 6 -1.313 4.381 -2.932
42 1HG PRO 6 HG2 PRO 6 -1.261 2.789 -5.043
43 2HG PRO 6 HG1 PRO 6 -0.694 2.206 -3.467
44 1HD PRO 6 HD2 PRO 6 -3.259 1.647 -4.867
45 2HD PRO 6 HD1 PRO 6 -2.261 0.548 -3.912
46 H GLY 7 HN GLY 7 -4.049 3.857 -0.107
47 1HA GLY 7 HA2 GLY 7 -5.597 6.104 -0.942
48 2HA GLY 7 HA1 GLY 7 -6.589 4.661 -0.773
49 H GLY 8 HN GLY 8 -4.665 7.031 0.874
50 1HA GLY 8 HA2 GLY 8 -5.545 7.679 3.102
51 2HA GLY 8 HA1 GLY 8 -5.637 5.957 3.452
52 H GLY 9 HN GLY 9 -2.951 7.152 1.628
53 1HA GLY 9 HA2 GLY 9 -0.846 7.887 2.443
54 2HA GLY 9 HA1 GLY 9 -1.286 7.293 4.035
55 H GLY 10 HN GLY 10 0.204 6.563 1.026
56 1HA GLY 10 HA2 GLY 10 1.976 4.795 1.312
57 2HA GLY 10 HA1 GLY 10 0.675 3.789 1.930
58 H VAL 11 HN VAL 11 2.415 3.378 -0.395
59 HA VAL 11 HA VAL 11 0.353 3.378 -2.504
60 HB VAL 11 HB VAL 11 3.233 3.033 -3.201
61 1HG1 VAL 11 HG11 VAL 11 2.121 2.895 -5.142
62 2HG1 VAL 11 HG12 VAL 11 2.170 4.657 -5.067
63 3HG1 VAL 11 HG13 VAL 11 0.729 3.788 -4.535
64 1HG2 VAL 11 HG21 VAL 11 2.748 5.113 -1.623
65 2HG2 VAL 11 HG22 VAL 11 2.214 5.820 -3.148
66 3HG2 VAL 11 HG23 VAL 11 3.863 5.213 -2.987
67 H CYS 12 HN CYS 12 0.967 1.479 -4.168
68 HA CYS 12 HA CYS 12 0.481 -0.865 -2.692
69 1HB CYS 12 HB2 CYS 12 -0.395 -0.479 -4.958
70 2HB CYS 12 HB1 CYS 12 1.238 -0.625 -5.595
71 1HN ABA 13 HN ABU 13 2.219 -1.296 -1.317
72 HA ABA 13 HA ABU 13 4.512 -2.568 -2.589
73 2HB ABA 13 HB ABU 13 3.129 -2.850 -0.059
74 1HG ABA 13 HG21 ABU 13 5.037 -4.902 -0.606
75 2HG ABA 13 HG22 ABU 13 4.233 -4.443 -2.108
76 3HG ABA 13 HG23 ABU 13 3.278 -4.963 -0.719
77 H LEU 14 HN LEU 14 3.663 0.388 -1.158
78 HA LEU 14 HA LEU 14 6.489 1.071 -0.698
79 1HB LEU 14 HB2 LEU 14 4.519 2.896 -2.062
80 2HB LEU 14 HB1 LEU 14 6.230 3.171 -1.832
81 HG LEU 14 HG LEU 14 5.042 1.044 -3.629
82 1HD1 LEU 14 HD11 LEU 14 4.765 3.474 -4.315
83 2HD1 LEU 14 HD12 LEU 14 5.592 2.417 -5.459
84 3HD1 LEU 14 HD13 LEU 14 6.523 3.528 -4.454
85 1HD2 LEU 14 HD21 LEU 14 7.136 0.306 -4.071
86 2HD2 LEU 14 HD22 LEU 14 7.455 0.917 -2.448
87 3HD2 LEU 14 HD23 LEU 14 7.866 1.898 -3.854
88 1HN ABA 15 HN ABU 15 6.283 1.078 1.506
89 HA ABA 15 HA ABU 15 4.113 2.526 2.748
90 2HB ABA 15 HB ABU 15 6.027 3.730 4.179
91 1HG ABA 15 HG21 ABU 15 5.700 5.691 2.522
92 2HG ABA 15 HG22 ABU 15 4.297 5.029 3.361
93 3HG ABA 15 HG23 ABU 15 4.618 4.578 1.685
94 1HN DHA 16 HN DHA 16 4.245 2.361 5.110
95 2HB DHA 16 HB1 DHA 16 6.305 1.987 7.114
96 3HB DHA 16 HB2 DHA 16 5.925 0.368 7.969
97 H GLU 17 HN GLU 17 3.618 -0.301 4.306
98 HA GLU 17 HA GLU 17 2.616 -2.466 5.977
99 1HB GLU 17 HB2 GLU 17 2.175 -2.262 3.008
100 2HB GLU 17 HB1 GLU 17 1.141 -2.994 4.221
101 1HG GLU 17 HG2 GLU 17 -0.071 -1.138 3.849
102 2HG GLU 17 HG1 GLU 17 1.024 -0.469 5.058
103 H CYS 18 HN CYS 18 5.023 -1.809 3.640
104 HA CYS 18 HA CYS 18 5.641 -4.668 3.373
105 1HB CYS 18 HB2 CYS 18 6.004 -2.423 1.379
106 2HB CYS 18 HB1 CYS 18 6.422 -4.110 1.096
107 H ILE 19 HN ILE 19 7.446 -1.698 2.534
108 HA ILE 19 HA ILE 19 9.658 -2.750 4.177
109 HB ILE 19 HB ILE 19 9.865 -0.969 1.742
110 1HG1 ILE 19 HG12 ILE 19 10.627 -3.877 2.114
111 2HG1 ILE 19 HG11 ILE 19 9.228 -3.301 1.213
112 1HG2 ILE 19 HG21 ILE 19 11.605 -0.567 3.449
113 2HG2 ILE 19 HG22 ILE 19 12.261 -1.235 1.954
114 3HG2 ILE 19 HG23 ILE 19 12.049 -2.271 3.365
115 1HD1 ILE 19 HD11 ILE 19 10.785 -2.115 -0.317
116 2HD1 ILE 19 HD12 ILE 19 10.953 -3.870 -0.332
117 3HD1 ILE 19 HD13 ILE 19 12.127 -2.879 0.535
118 1HN TEE 20 HN TEA 20 8.989 0.399 2.744
119 HB2 TEE 20 HB2 TEA 20 7.896 2.709 2.946
120 HA TEE 20 HA TEA 20 8.493 1.158 5.131
Start of MODEL 12
1 1H CYS 1 HT1 CYS 1 -0.196 1.549 1.988
2 2H CYS 1 HT2 CYS 1 0.030 1.750 3.658
3 3H CYS 1 HT3 CYS 1 -0.664 2.998 2.745
4 HA CYS 1 HA CYS 1 -1.921 0.352 2.834
5 1HB CYS 1 HB2 CYS 1 -1.612 0.901 5.159
6 2HB CYS 1 HB1 CYS 1 -2.179 2.546 4.896
7 1HN ABA 2 HN ABU 2 -4.724 1.788 1.289
8 HA ABA 2 HA ABU 2 -5.156 -0.383 1.801
9 2HB ABA 2 HB ABU 2 -3.796 -1.281 3.903
10 1HG ABA 2 HG21 ABU 2 -5.560 -0.203 5.353
11 2HG ABA 2 HG22 ABU 2 -6.157 -1.095 3.952
12 3HG ABA 2 HG23 ABU 2 -6.089 0.668 3.912
13 H PHE 3 HN PHE 3 -3.408 -2.380 2.810
14 HA PHE 3 HA PHE 3 -0.905 -2.445 1.505
15 1HB PHE 3 HB2 PHE 3 -1.364 -3.904 3.393
16 2HB PHE 3 HB1 PHE 3 -2.660 -4.698 2.504
17 HD1 PHE 3 HD1 PHE 3 0.878 -3.819 1.694
18 HD2 PHE 3 HD2 PHE 3 -2.100 -6.846 1.960
19 HE1 PHE 3 HE1 PHE 3 2.477 -5.466 0.810
20 HE2 PHE 3 HE2 PHE 3 -0.502 -8.497 1.088
21 HZ PHE 3 HZ PHE 3 1.788 -7.810 0.511
22 1HN ABA 4 HN ABU 4 -0.856 -2.110 -0.639
23 HA ABA 4 HA ABU 4 -2.218 -4.102 -2.309
24 2HB ABA 4 HB ABU 4 -0.676 -2.784 -4.079
25 1HG ABA 4 HG21 ABU 4 -0.651 -5.155 -3.804
26 2HG ABA 4 HG22 ABU 4 0.116 -5.022 -2.222
27 3HG ABA 4 HG23 ABU 4 1.012 -4.581 -3.677
28 H LEU 5 HN LEU 5 -3.307 -1.480 -1.108
29 HA LEU 5 HA LEU 5 -4.311 -0.372 -3.640
30 1HB LEU 5 HB2 LEU 5 -5.814 -1.011 -1.121
31 2HB LEU 5 HB1 LEU 5 -6.427 0.140 -2.297
32 HG LEU 5 HG LEU 5 -5.799 -2.758 -2.848
33 1HD1 LEU 5 HD11 LEU 5 -8.305 -2.851 -3.196
34 2HD1 LEU 5 HD12 LEU 5 -8.378 -1.283 -2.393
35 3HD1 LEU 5 HD13 LEU 5 -7.759 -2.687 -1.525
36 1HD2 LEU 5 HD21 LEU 5 -6.503 -2.428 -5.039
37 2HD2 LEU 5 HD22 LEU 5 -5.497 -1.013 -4.704
38 3HD2 LEU 5 HD23 LEU 5 -7.260 -0.878 -4.663
39 HA PRO 6 HA PRO 6 -1.970 2.971 -1.661
40 1HB PRO 6 HB2 PRO 6 -2.300 4.474 -4.026
41 2HB PRO 6 HB1 PRO 6 -0.880 3.540 -3.553
42 1HG PRO 6 HG2 PRO 6 -3.074 2.833 -5.409
43 2HG PRO 6 HG1 PRO 6 -1.379 2.324 -5.417
44 1HD PRO 6 HD2 PRO 6 -3.374 0.685 -4.654
45 2HD PRO 6 HD1 PRO 6 -1.765 0.613 -3.923
46 H GLY 7 HN GLY 7 -2.890 4.364 -0.377
47 1HA GLY 7 HA2 GLY 7 -5.397 5.665 -1.245
48 2HA GLY 7 HA1 GLY 7 -5.054 5.254 0.434
49 H GLY 8 HN GLY 8 -5.467 7.551 0.835
50 1HA GLY 8 HA2 GLY 8 -3.864 9.587 -0.267
51 2HA GLY 8 HA1 GLY 8 -4.806 9.709 1.209
52 H GLY 9 HN GLY 9 -1.709 8.794 -0.146
53 1HA GLY 9 HA2 GLY 9 0.253 9.677 1.004
54 2HA GLY 9 HA1 GLY 9 -0.530 9.270 2.521
55 H GLY 10 HN GLY 10 -0.712 7.021 -0.108
56 1HA GLY 10 HA2 GLY 10 1.673 5.588 0.640
57 2HA GLY 10 HA1 GLY 10 0.196 4.808 1.191
58 H VAL 11 HN VAL 11 2.171 3.878 -0.757
59 HA VAL 11 HA VAL 11 0.373 3.559 -3.072
60 HB VAL 11 HB VAL 11 3.382 3.619 -3.295
61 1HG1 VAL 11 HG11 VAL 11 3.075 3.676 -5.619
62 2HG1 VAL 11 HG12 VAL 11 1.356 4.039 -5.469
63 3HG1 VAL 11 HG13 VAL 11 1.963 2.442 -5.028
64 1HG2 VAL 11 HG21 VAL 11 1.952 5.891 -4.442
65 2HG2 VAL 11 HG22 VAL 11 3.457 5.843 -3.525
66 3HG2 VAL 11 HG23 VAL 11 1.908 5.837 -2.679
67 H CYS 12 HN CYS 12 0.555 1.515 -4.160
68 HA CYS 12 HA CYS 12 0.613 -0.674 -2.463
69 1HB CYS 12 HB2 CYS 12 -0.541 -0.670 -4.626
70 2HB CYS 12 HB1 CYS 12 1.017 -0.643 -5.451
71 1HN ABA 13 HN ABU 13 2.293 -1.548 -1.431
72 HA ABA 13 HA ABU 13 4.661 -2.269 -2.961
73 2HB ABA 13 HB ABU 13 3.849 -2.943 -0.147
74 1HG ABA 13 HG21 ABU 13 2.560 -3.852 -2.204
75 2HG ABA 13 HG22 ABU 13 3.072 -4.975 -0.945
76 3HG ABA 13 HG23 ABU 13 3.992 -4.852 -2.444
77 H LEU 14 HN LEU 14 3.834 0.470 -1.698
78 HA LEU 14 HA LEU 14 6.590 1.109 -0.891
79 1HB LEU 14 HB2 LEU 14 4.591 2.966 -2.172
80 2HB LEU 14 HB1 LEU 14 6.316 3.207 -2.011
81 HG LEU 14 HG LEU 14 4.959 1.184 -3.816
82 1HD1 LEU 14 HD11 LEU 14 6.466 3.738 -4.390
83 2HD1 LEU 14 HD12 LEU 14 4.749 3.434 -4.660
84 3HD1 LEU 14 HD13 LEU 14 5.958 2.566 -5.608
85 1HD2 LEU 14 HD21 LEU 14 7.180 0.493 -2.799
86 2HD2 LEU 14 HD22 LEU 14 7.900 1.835 -3.690
87 3HD2 LEU 14 HD23 LEU 14 7.100 0.525 -4.560
88 1HN ABA 15 HN ABU 15 6.507 1.215 1.317
89 HA ABA 15 HA ABU 15 4.320 2.747 2.536
90 2HB ABA 15 HB ABU 15 6.235 3.647 4.117
91 1HG ABA 15 HG21 ABU 15 4.739 5.095 2.970
92 2HG ABA 15 HG22 ABU 15 5.478 4.733 1.409
93 3HG ABA 15 HG23 ABU 15 6.370 5.662 2.614
94 1HN DHA 16 HN DHA 16 4.173 2.406 4.854
95 2HB DHA 16 HB1 DHA 16 5.967 1.710 7.039
96 3HB DHA 16 HB2 DHA 16 5.337 0.094 7.740
97 H GLU 17 HN GLU 17 3.534 -0.163 3.793
98 HA GLU 17 HA GLU 17 2.107 -2.320 5.117
99 1HB GLU 17 HB2 GLU 17 1.211 -2.644 2.735
100 2HB GLU 17 HB1 GLU 17 0.750 -1.171 3.574
101 1HG GLU 17 HG2 GLU 17 2.481 0.061 2.362
102 2HG GLU 17 HG1 GLU 17 2.942 -1.419 1.522
103 H CYS 18 HN CYS 18 4.953 -1.739 3.356
104 HA CYS 18 HA CYS 18 5.386 -4.619 2.982
105 1HB CYS 18 HB2 CYS 18 5.805 -2.380 1.013
106 2HB CYS 18 HB1 CYS 18 6.504 -3.975 0.786
107 H ILE 19 HN ILE 19 7.220 -1.551 2.599
108 HA ILE 19 HA ILE 19 9.387 -2.885 4.075
109 HB ILE 19 HB ILE 19 9.707 -0.689 2.022
110 1HG1 ILE 19 HG12 ILE 19 10.293 -3.653 1.811
111 2HG1 ILE 19 HG11 ILE 19 8.974 -2.815 1.002
112 1HG2 ILE 19 HG21 ILE 19 12.106 -2.075 2.423
113 2HG2 ILE 19 HG22 ILE 19 11.459 -1.761 4.032
114 3HG2 ILE 19 HG23 ILE 19 11.727 -0.424 2.911
115 1HD1 ILE 19 HD11 ILE 19 10.478 -2.900 -0.694
116 2HD1 ILE 19 HD12 ILE 19 11.872 -2.843 0.388
117 3HD1 ILE 19 HD13 ILE 19 10.964 -1.372 0.038
118 1HN TEE 20 HN TEA 20 9.041 0.491 3.195
119 HB2 TEE 20 HB2 TEA 20 7.872 3.114 5.714
120 HA TEE 20 HA TEA 20 8.002 1.209 5.268
Start of MODEL 13
1 1H CYS 1 HT1 CYS 1 -0.599 3.136 2.005
2 2H CYS 1 HT2 CYS 1 -0.080 1.556 1.656
3 3H CYS 1 HT3 CYS 1 0.069 2.180 3.232
4 HA CYS 1 HA CYS 1 -1.884 0.600 2.521
5 1HB CYS 1 HB2 CYS 1 -1.496 1.330 4.783
6 2HB CYS 1 HB1 CYS 1 -2.026 2.964 4.395
7 1HN ABA 2 HN ABU 2 -4.688 1.982 0.928
8 HA ABA 2 HA ABU 2 -5.156 -0.125 1.613
9 2HB ABA 2 HB ABU 2 -3.854 -0.900 3.763
10 1HG ABA 2 HG21 ABU 2 -5.456 0.675 5.094
11 2HG ABA 2 HG22 ABU 2 -6.115 -0.562 4.025
12 3HG ABA 2 HG23 ABU 2 -6.038 1.116 3.488
13 H PHE 3 HN PHE 3 -3.518 -2.136 2.708
14 HA PHE 3 HA PHE 3 -0.994 -2.381 1.481
15 1HB PHE 3 HB2 PHE 3 -1.627 -3.733 3.411
16 2HB PHE 3 HB1 PHE 3 -2.889 -4.522 2.471
17 HD1 PHE 3 HD1 PHE 3 0.691 -3.773 1.746
18 HD2 PHE 3 HD2 PHE 3 -2.333 -6.735 2.184
19 HE1 PHE 3 HE1 PHE 3 2.298 -5.508 1.072
20 HE2 PHE 3 HE2 PHE 3 -0.731 -8.474 1.513
21 HZ PHE 3 HZ PHE 3 1.568 -7.873 0.938
22 1HN ABA 4 HN ABU 4 -0.899 -2.069 -0.678
23 HA ABA 4 HA ABU 4 -2.241 -4.081 -2.333
24 2HB ABA 4 HB ABU 4 -0.681 -2.911 -4.126
25 1HG ABA 4 HG21 ABU 4 0.414 -4.764 -2.018
26 2HG ABA 4 HG22 ABU 4 1.006 -4.574 -3.669
27 3HG ABA 4 HG23 ABU 4 -0.592 -5.260 -3.379
28 H LEU 5 HN LEU 5 -3.227 -1.311 -1.213
29 HA LEU 5 HA LEU 5 -4.240 -0.320 -3.786
30 1HB LEU 5 HB2 LEU 5 -5.802 -0.999 -1.317
31 2HB LEU 5 HB1 LEU 5 -6.406 0.166 -2.484
32 HG LEU 5 HG LEU 5 -5.685 -2.694 -3.114
33 1HD1 LEU 5 HD11 LEU 5 -8.455 -1.593 -3.213
34 2HD1 LEU 5 HD12 LEU 5 -7.784 -2.110 -1.664
35 3HD1 LEU 5 HD13 LEU 5 -7.913 -3.258 -2.998
36 1HD2 LEU 5 HD21 LEU 5 -7.257 -0.865 -4.876
37 2HD2 LEU 5 HD22 LEU 5 -6.331 -2.310 -5.294
38 3HD2 LEU 5 HD23 LEU 5 -5.491 -0.809 -4.886
39 HA PRO 6 HA PRO 6 -2.359 3.252 -1.652
40 1HB PRO 6 HB2 PRO 6 -1.794 4.515 -4.005
41 2HB PRO 6 HB1 PRO 6 -0.724 3.331 -3.248
42 1HG PRO 6 HG2 PRO 6 -2.655 2.974 -5.499
43 2HG PRO 6 HG1 PRO 6 -1.027 2.303 -5.301
44 1HD PRO 6 HD2 PRO 6 -3.278 0.865 -4.838
45 2HD PRO 6 HD1 PRO 6 -1.764 0.591 -3.958
46 H GLY 7 HN GLY 7 -4.553 3.728 -0.927
47 1HA GLY 7 HA2 GLY 7 -6.064 5.447 -2.783
48 2HA GLY 7 HA1 GLY 7 -6.735 4.620 -1.382
49 H GLY 8 HN GLY 8 -4.417 5.419 0.283
50 1HA GLY 8 HA2 GLY 8 -4.068 8.179 0.399
51 2HA GLY 8 HA1 GLY 8 -5.515 7.813 1.326
52 H GLY 9 HN GLY 9 -2.053 7.458 1.138
53 1HA GLY 9 HA2 GLY 9 -0.979 7.684 3.391
54 2HA GLY 9 HA1 GLY 9 -2.088 6.422 3.907
55 H GLY 10 HN GLY 10 -0.253 6.606 0.874
56 1HA GLY 10 HA2 GLY 10 1.962 5.368 0.927
57 2HA GLY 10 HA1 GLY 10 1.024 4.074 1.665
58 H VAL 11 HN VAL 11 2.491 3.770 -0.690
59 HA VAL 11 HA VAL 11 0.348 3.472 -2.694
60 HB VAL 11 HB VAL 11 3.317 3.595 -3.281
61 1HG1 VAL 11 HG11 VAL 11 0.890 3.756 -5.061
62 2HG1 VAL 11 HG12 VAL 11 2.066 2.445 -4.987
63 3HG1 VAL 11 HG13 VAL 11 2.550 4.029 -5.594
64 1HG2 VAL 11 HG21 VAL 11 3.290 5.807 -3.165
65 2HG2 VAL 11 HG22 VAL 11 1.651 5.730 -2.517
66 3HG2 VAL 11 HG23 VAL 11 1.906 5.880 -4.257
67 H CYS 12 HN CYS 12 0.542 1.476 -4.007
68 HA CYS 12 HA CYS 12 0.627 -0.780 -2.438
69 1HB CYS 12 HB2 CYS 12 -0.505 -0.655 -4.621
70 2HB CYS 12 HB1 CYS 12 1.066 -0.662 -5.417
71 1HN ABA 13 HN ABU 13 2.324 -1.476 -1.331
72 HA ABA 13 HA ABU 13 4.696 -2.295 -2.811
73 2HB ABA 13 HB ABU 13 4.006 -2.750 0.073
74 1HG ABA 13 HG21 ABU 13 3.177 -4.104 -2.405
75 2HG ABA 13 HG22 ABU 13 2.406 -4.056 -0.819
76 3HG ABA 13 HG23 ABU 13 3.750 -5.160 -1.108
77 H LEU 14 HN LEU 14 3.824 0.516 -1.640
78 HA LEU 14 HA LEU 14 6.578 1.211 -0.858
79 1HB LEU 14 HB2 LEU 14 4.597 3.035 -2.204
80 2HB LEU 14 HB1 LEU 14 6.326 3.263 -2.040
81 HG LEU 14 HG LEU 14 4.969 1.199 -3.790
82 1HD1 LEU 14 HD11 LEU 14 4.828 3.609 -4.497
83 2HD1 LEU 14 HD12 LEU 14 5.625 2.525 -5.637
84 3HD1 LEU 14 HD13 LEU 14 6.587 3.599 -4.621
85 1HD2 LEU 14 HD21 LEU 14 7.891 1.831 -3.353
86 2HD2 LEU 14 HD22 LEU 14 7.270 0.850 -4.680
87 3HD2 LEU 14 HD23 LEU 14 7.060 0.312 -3.013
88 1HN ABA 15 HN ABU 15 6.362 1.247 1.345
89 HA ABA 15 HA ABU 15 4.148 2.736 2.520
90 2HB ABA 15 HB ABU 15 6.037 3.721 4.124
91 1HG ABA 15 HG21 ABU 15 5.236 4.909 1.471
92 2HG ABA 15 HG22 ABU 15 5.888 5.809 2.837
93 3HG ABA 15 HG23 ABU 15 4.324 5.007 2.976
94 1HN DHA 16 HN DHA 16 4.036 2.419 4.849
95 2HB DHA 16 HB1 DHA 16 5.761 1.867 7.064
96 3HB DHA 16 HB2 DHA 16 5.256 0.205 7.758
97 H GLU 17 HN GLU 17 3.493 -0.173 3.788
98 HA GLU 17 HA GLU 17 2.155 -2.376 5.113
99 1HB GLU 17 HB2 GLU 17 1.291 -2.752 2.724
100 2HB GLU 17 HB1 GLU 17 0.782 -1.284 3.542
101 1HG GLU 17 HG2 GLU 17 2.474 -0.015 2.330
102 2HG GLU 17 HG1 GLU 17 3.008 -1.487 1.523
103 H CYS 18 HN CYS 18 5.042 -1.798 3.411
104 HA CYS 18 HA CYS 18 5.472 -4.682 3.093
105 1HB CYS 18 HB2 CYS 18 5.938 -2.483 1.095
106 2HB CYS 18 HB1 CYS 18 6.648 -4.077 0.911
107 H ILE 19 HN ILE 19 7.458 -1.759 2.469
108 HA ILE 19 HA ILE 19 9.489 -2.955 4.245
109 HB ILE 19 HB ILE 19 9.958 -1.001 1.985
110 1HG1 ILE 19 HG12 ILE 19 10.569 -3.964 2.115
111 2HG1 ILE 19 HG11 ILE 19 9.253 -3.244 1.192
112 1HG2 ILE 19 HG21 ILE 19 11.513 -1.513 4.205
113 2HG2 ILE 19 HG22 ILE 19 12.068 -0.805 2.689
114 3HG2 ILE 19 HG23 ILE 19 12.224 -2.542 2.960
115 1HD1 ILE 19 HD11 ILE 19 11.527 -3.865 0.059
116 2HD1 ILE 19 HD12 ILE 19 12.027 -2.299 0.695
117 3HD1 ILE 19 HD13 ILE 19 10.652 -2.407 -0.405
118 1HN TEE 20 HN TEA 20 8.862 0.264 2.951
119 HB2 TEE 20 HB2 TEA 20 7.447 2.952 4.106
120 HA TEE 20 HA TEA 20 7.951 1.374 5.197
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