Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
16680 | 2ajw RC | 6818 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 H GLY 1 3.758 6.057 5.547
2 1HA GLY 1 2HA GLY 1 5.770 5.061 6.209
3 2HA GLY 1 1HA GLY 1 5.085 4.792 7.804
4 H CYS 2 H CYS 2 2.699 3.520 6.757
5 HA CYS 2 HA CYS 2 3.340 0.844 6.919
6 1HB CYS 2 2HB CYS 2 1.098 1.694 7.214
7 2HB CYS 2 1HB CYS 2 1.029 2.226 5.550
8 H CYS 3 H CYS 3 2.977 2.816 4.035
9 HA CYS 3 HA CYS 3 3.096 0.850 2.093
10 1HB CYS 3 2HB CYS 3 4.100 3.688 1.952
11 2HB CYS 3 1HB CYS 3 3.864 2.635 0.558
12 H SER 4 H SER 4 5.693 1.959 4.081
13 HA SER 4 HA SER 4 7.865 1.391 2.385
14 1HB SER 4 2HB SER 4 7.865 1.016 5.384
15 2HB SER 4 1HB SER 4 9.221 1.459 4.346
16 HG SER 4 HG SER 4 7.219 3.020 5.413
17 H ASN 5 H ASN 5 5.890 -0.607 4.499
18 HA ASN 5 HA ASN 5 7.495 -2.970 3.920
19 1HB ASN 5 2HB ASN 5 4.957 -2.692 5.552
20 2HB ASN 5 1HB ASN 5 5.951 -4.140 5.437
21 1HD2 ASN 5 1HD2 ASN 5 7.287 -4.444 7.064
22 2HD2 ASN 5 2HD2 ASN 5 7.955 -3.216 8.077
23 HA PRO 6 HA PRO 6 5.140 -3.840 0.228
24 1HB PRO 6 2HB PRO 6 6.074 -6.603 0.837
25 2HB PRO 6 1HB PRO 6 6.200 -5.678 -0.663
26 1HG PRO 6 2HG PRO 6 8.329 -6.031 0.893
27 2HG PRO 6 1HG PRO 6 8.048 -4.483 0.074
28 1HD PRO 6 2HD PRO 6 7.636 -5.218 2.940
29 2HD PRO 6 1HD PRO 6 8.211 -3.692 2.235
30 H VAL 7 H VAL 7 5.007 -6.033 3.015
31 HA VAL 7 HA VAL 7 2.529 -7.233 2.374
32 HB VAL 7 HB VAL 7 3.580 -6.856 5.177
33 1HG1 VAL 7 1HG1 VAL 7 2.349 -8.772 5.737
34 2HG1 VAL 7 2HG1 VAL 7 2.122 -9.227 4.047
35 3HG1 VAL 7 3HG1 VAL 7 1.275 -7.828 4.705
36 1HG2 VAL 7 1HG2 VAL 7 5.455 -7.683 3.954
37 2HG2 VAL 7 2HG2 VAL 7 4.455 -8.857 3.098
38 3HG2 VAL 7 3HG2 VAL 7 4.757 -9.048 4.825
39 H CYS 8 H CYS 8 3.414 -4.591 4.555
40 HA CYS 8 HA CYS 8 0.908 -3.979 5.571
41 1HB CYS 8 2HB CYS 8 3.255 -3.046 6.186
42 2HB CYS 8 1HB CYS 8 2.921 -1.839 4.945
43 H HIS 9 H HIS 9 2.495 -2.814 2.627
44 HA HIS 9 HA HIS 9 0.639 -0.885 1.867
45 1HB HIS 9 2HB HIS 9 2.889 -1.411 0.796
46 2HB HIS 9 1HB HIS 9 2.060 -2.697 -0.078
47 HD1 HIS 9 1HD HIS 9 -0.399 -1.470 -1.164
48 HD2 HIS 9 2HD HIS 9 3.148 0.683 -0.873
49 HE1 HIS 9 1HE HIS 9 -0.601 0.394 -2.837
50 HE2 HIS 9 2HE HIS 9 1.483 1.773 -2.525
51 H LEU 10 H LEU 10 0.674 -4.356 1.106
52 HA LEU 10 HA LEU 10 -1.778 -4.200 -0.392
53 1HB LEU 10 2HB LEU 10 -0.021 -5.840 -0.920
54 2HB LEU 10 1HB LEU 10 -0.267 -6.603 0.639
55 HG LEU 10 HG LEU 10 -2.580 -7.185 -0.044
56 1HD1 LEU 10 1HD1 LEU 10 -1.856 -6.491 -2.857
57 2HD1 LEU 10 2HD1 LEU 10 -2.562 -5.267 -1.801
58 3HD1 LEU 10 3HD1 LEU 10 -3.445 -6.757 -2.139
59 1HD2 LEU 10 1HD2 LEU 10 -1.138 -8.390 -2.248
60 2HD2 LEU 10 2HD2 LEU 10 -1.790 -9.129 -0.786
61 3HD2 LEU 10 3HD2 LEU 10 -0.192 -8.387 -0.760
62 H GLU 11 H GLU 11 -0.845 -5.635 2.714
63 HA GLU 11 HA GLU 11 -3.335 -6.599 3.513
64 1HB GLU 11 2HB GLU 11 -1.183 -7.153 4.582
65 2HB GLU 11 1HB GLU 11 -1.077 -5.520 5.212
66 1HG GLU 11 2HG GLU 11 -3.165 -5.952 6.497
67 2HG GLU 11 1HG GLU 11 -3.079 -7.631 5.961
68 H HIS 12 H HIS 12 -1.875 -3.423 3.901
69 HA HIS 12 HA HIS 12 -4.415 -2.437 5.012
70 1HB HIS 12 2HB HIS 12 -1.637 -1.282 5.344
71 2HB HIS 12 1HB HIS 12 -3.112 -0.634 6.052
72 HD1 HIS 12 1HD HIS 12 -4.292 -2.186 7.870
73 HD2 HIS 12 2HD HIS 12 -0.445 -3.310 6.778
74 HE1 HIS 12 1HE HIS 12 -3.553 -3.828 9.616
75 HE2 HIS 12 2HE HIS 12 -1.395 -4.752 8.708
76 H SER 13 H SER 13 -4.545 -2.690 2.417
77 HA SER 13 HA SER 13 -3.494 -0.674 0.792
78 1HB SER 13 2HB SER 13 -6.063 -2.249 0.540
79 2HB SER 13 1HB SER 13 -5.434 -1.191 -0.722
80 HG SER 13 HG SER 13 -4.207 -3.520 0.355
81 H ASN 14 H ASN 14 -6.095 -0.633 3.076
82 HA ASN 14 HA ASN 14 -7.484 1.643 2.153
83 1HB ASN 14 2HB ASN 14 -8.483 1.741 4.358
84 2HB ASN 14 1HB ASN 14 -8.369 0.056 3.865
85 1HD2 ASN 14 1HD2 ASN 14 -8.055 2.013 6.408
86 2HD2 ASN 14 2HD2 ASN 14 -6.893 1.140 7.339
87 H LEU 15 H LEU 15 -4.653 1.215 4.197
88 HA LEU 15 HA LEU 15 -4.449 4.027 4.818
89 1HB LEU 15 2HB LEU 15 -2.459 1.779 5.185
90 2HB LEU 15 1HB LEU 15 -2.279 3.401 5.823
91 HG LEU 15 HG LEU 15 -4.443 1.446 6.612
92 1HD1 LEU 15 1HD1 LEU 15 -2.550 0.595 7.618
93 2HD1 LEU 15 2HD1 LEU 15 -3.140 1.714 8.847
94 3HD1 LEU 15 3HD1 LEU 15 -1.802 2.181 7.797
95 1HD2 LEU 15 1HD2 LEU 15 -3.768 4.014 8.001
96 2HD2 LEU 15 2HD2 LEU 15 -5.224 3.031 8.131
97 3HD2 LEU 15 3HD2 LEU 15 -4.924 3.972 6.670
98 H CYS 16 H CYS 16 -2.647 1.678 2.875
99 HA CYS 16 HA CYS 16 -1.098 3.737 1.578
100 1HB CYS 16 2HB CYS 16 -1.201 0.751 1.444
101 2HB CYS 16 1HB CYS 16 -0.368 1.649 0.181
102 H GLY 17 H GLY 17 -3.802 4.130 1.224
103 1HA GLY 17 2HA GLY 17 -3.947 4.488 -1.587
104 2HA GLY 17 1HA GLY 17 -4.999 3.171 -1.076
105 H GLY 18 H GLY 18 -4.239 5.955 0.886
106 1HA GLY 18 2HA GLY 18 -6.317 7.666 0.253
107 2HA GLY 18 1HA GLY 18 -6.976 6.510 1.402
108 H ALA 19 H ALA 19 -4.868 6.106 3.100
109 HA ALA 19 HA ALA 19 -4.798 8.659 4.502
110 1HB ALA 19 1HB ALA 19 -5.487 6.706 5.763
111 2HB ALA 19 2HB ALA 19 -3.971 7.338 6.407
112 3HB ALA 19 3HB ALA 19 -3.964 5.899 5.388
113 H ALA 20 H ALA 20 -3.137 8.000 2.112
114 HA ALA 20 HA ALA 20 -1.063 8.384 1.280
115 1HB ALA 20 1HB ALA 20 -0.983 10.533 2.030
116 2HB ALA 20 2HB ALA 20 0.405 9.872 2.894
117 3HB ALA 20 3HB ALA 20 -1.139 10.069 3.725
118 H GLY 21 H GLY 21 -1.527 6.025 3.039
119 1HA GLY 21 2HA GLY 21 -0.247 4.187 3.566
120 2HA GLY 21 1HA GLY 21 1.174 5.084 3.064
121 H GLY 22 H GLY 22 1.362 7.137 4.765
122 1HA GLY 22 2HA GLY 22 2.011 7.729 6.889
123 2HA GLY 22 1HA GLY 22 0.820 6.581 7.480
Start of MODEL 2
1 1H GLY 1 H GLY 1 4.579 5.450 4.899
2 1HA GLY 1 2HA GLY 1 6.856 5.050 5.579
3 2HA GLY 1 1HA GLY 1 6.332 5.151 7.252
4 H CYS 2 H CYS 2 4.187 3.506 7.296
5 HA CYS 2 HA CYS 2 5.348 0.924 7.438
6 1HB CYS 2 2HB CYS 2 3.395 1.751 8.799
7 2HB CYS 2 1HB CYS 2 2.403 1.623 7.358
8 H CYS 3 H CYS 3 3.407 2.603 5.113
9 HA CYS 3 HA CYS 3 2.666 0.517 3.429
10 1HB CYS 3 2HB CYS 3 3.219 3.407 2.764
11 2HB CYS 3 1HB CYS 3 2.342 2.274 1.736
12 H SER 4 H SER 4 5.769 1.888 3.922
13 HA SER 4 HA SER 4 6.902 1.412 1.374
14 1HB SER 4 2HB SER 4 8.270 1.424 4.079
15 2HB SER 4 1HB SER 4 9.056 1.619 2.512
16 HG SER 4 HG SER 4 8.751 3.654 3.256
17 H ASN 5 H ASN 5 6.022 -0.595 4.026
18 HA ASN 5 HA ASN 5 7.642 -2.847 3.147
19 1HB ASN 5 2HB ASN 5 5.510 -2.689 5.299
20 2HB ASN 5 1HB ASN 5 6.583 -4.054 5.017
21 1HD2 ASN 5 1HD2 ASN 5 8.249 -4.161 6.333
22 2HD2 ASN 5 2HD2 ASN 5 9.012 -2.830 7.123
23 HA PRO 6 HA PRO 6 4.708 -4.168 0.096
24 1HB PRO 6 2HB PRO 6 5.348 -6.889 0.347
25 2HB PRO 6 1HB PRO 6 6.092 -5.737 -0.761
26 1HG PRO 6 2HG PRO 6 7.039 -6.699 1.894
27 2HG PRO 6 1HG PRO 6 7.976 -6.285 0.447
28 1HD PRO 6 2HD PRO 6 7.877 -4.636 2.550
29 2HD PRO 6 1HD PRO 6 7.876 -4.003 0.889
30 H VAL 7 H VAL 7 4.949 -6.008 3.134
31 HA VAL 7 HA VAL 7 2.445 -7.288 2.929
32 HB VAL 7 HB VAL 7 3.742 -6.515 5.536
33 1HG1 VAL 7 1HG1 VAL 7 2.465 -9.148 5.080
34 2HG1 VAL 7 2HG1 VAL 7 1.407 -7.739 5.154
35 3HG1 VAL 7 3HG1 VAL 7 2.469 -8.118 6.512
36 1HG2 VAL 7 1HG2 VAL 7 5.574 -7.643 4.942
37 2HG2 VAL 7 2HG2 VAL 7 4.829 -8.186 3.439
38 3HG2 VAL 7 3HG2 VAL 7 4.581 -9.100 4.925
39 H CYS 8 H CYS 8 3.460 -4.452 4.783
40 HA CYS 8 HA CYS 8 0.942 -3.782 5.790
41 1HB CYS 8 2HB CYS 8 3.150 -2.916 6.608
42 2HB CYS 8 1HB CYS 8 3.194 -1.857 5.203
43 H HIS 9 H HIS 9 2.585 -2.737 2.825
44 HA HIS 9 HA HIS 9 0.703 -0.799 2.051
45 1HB HIS 9 2HB HIS 9 3.016 -1.228 1.055
46 2HB HIS 9 1HB HIS 9 2.254 -2.508 0.115
47 HD1 HIS 9 1HD HIS 9 -0.233 -1.278 -0.970
48 HD2 HIS 9 2HD HIS 9 3.299 0.888 -0.590
49 HE1 HIS 9 1HE HIS 9 -0.427 0.624 -2.602
50 HE2 HIS 9 2HE HIS 9 1.637 2.016 -2.223
51 H LEU 10 H LEU 10 0.916 -4.249 1.197
52 HA LEU 10 HA LEU 10 -1.433 -4.159 -0.427
53 1HB LEU 10 2HB LEU 10 0.399 -6.292 0.533
54 2HB LEU 10 1HB LEU 10 -1.191 -6.774 -0.023
55 HG LEU 10 HG LEU 10 0.419 -6.991 -1.818
56 1HD1 LEU 10 1HD1 LEU 10 -0.935 -4.611 -2.831
57 2HD1 LEU 10 2HD1 LEU 10 -2.000 -5.745 -2.001
58 3HD1 LEU 10 3HD1 LEU 10 -1.027 -6.289 -3.367
59 1HD2 LEU 10 1HD2 LEU 10 2.140 -5.486 -1.318
60 2HD2 LEU 10 2HD2 LEU 10 1.032 -4.118 -1.203
61 3HD2 LEU 10 3HD2 LEU 10 1.391 -4.832 -2.775
62 H GLU 11 H GLU 11 -0.775 -5.460 2.819
63 HA GLU 11 HA GLU 11 -3.360 -6.434 3.323
64 1HB GLU 11 2HB GLU 11 -1.426 -7.056 4.678
65 2HB GLU 11 1HB GLU 11 -1.262 -5.399 5.242
66 1HG GLU 11 2HG GLU 11 -3.706 -5.767 6.095
67 2HG GLU 11 1HG GLU 11 -3.262 -7.471 5.991
68 H HIS 12 H HIS 12 -1.866 -3.308 4.071
69 HA HIS 12 HA HIS 12 -4.487 -2.289 4.901
70 1HB HIS 12 2HB HIS 12 -1.785 -0.973 5.223
71 2HB HIS 12 1HB HIS 12 -3.298 -0.472 5.964
72 HD1 HIS 12 1HD HIS 12 -4.297 -2.169 7.787
73 HD2 HIS 12 2HD HIS 12 -0.357 -2.848 6.655
74 HE1 HIS 12 1HE HIS 12 -3.350 -3.694 9.537
75 HE2 HIS 12 2HE HIS 12 -1.107 -4.358 8.609
76 H SER 13 H SER 13 -4.329 -2.684 2.213
77 HA SER 13 HA SER 13 -3.344 -0.553 0.682
78 1HB SER 13 2HB SER 13 -5.652 -2.438 0.178
79 2HB SER 13 1HB SER 13 -5.066 -1.281 -1.016
80 HG SER 13 HG SER 13 -3.777 -3.552 0.052
81 H ASN 14 H ASN 14 -6.131 -0.814 2.693
82 HA ASN 14 HA ASN 14 -7.698 1.263 1.601
83 1HB ASN 14 2HB ASN 14 -8.926 1.219 3.688
84 2HB ASN 14 1HB ASN 14 -8.551 -0.433 3.216
85 1HD2 ASN 14 1HD2 ASN 14 -8.774 1.501 5.775
86 2HD2 ASN 14 2HD2 ASN 14 -7.608 0.780 6.826
87 H LEU 15 H LEU 15 -5.007 1.216 3.854
88 HA LEU 15 HA LEU 15 -5.268 4.088 4.342
89 1HB LEU 15 2HB LEU 15 -3.290 2.073 5.423
90 2HB LEU 15 1HB LEU 15 -3.389 3.755 5.908
91 HG LEU 15 HG LEU 15 -5.564 1.705 6.332
92 1HD1 LEU 15 1HD1 LEU 15 -3.740 1.142 7.746
93 2HD1 LEU 15 2HD1 LEU 15 -4.923 1.994 8.739
94 3HD1 LEU 15 3HD1 LEU 15 -3.474 2.830 8.181
95 1HD2 LEU 15 1HD2 LEU 15 -6.512 3.896 6.121
96 2HD2 LEU 15 2HD2 LEU 15 -5.289 4.579 7.194
97 3HD2 LEU 15 3HD2 LEU 15 -6.496 3.462 7.831
98 H CYS 16 H CYS 16 -3.125 1.723 2.900
99 HA CYS 16 HA CYS 16 -1.226 3.694 1.993
100 1HB CYS 16 2HB CYS 16 -1.454 0.729 1.448
101 2HB CYS 16 1HB CYS 16 -0.092 1.745 0.983
102 H GLY 17 H GLY 17 -3.751 4.264 1.024
103 1HA GLY 17 2HA GLY 17 -4.044 3.260 -1.659
104 2HA GLY 17 1HA GLY 17 -4.998 4.530 -0.907
105 H GLY 18 H GLY 18 -3.388 4.138 -3.526
106 1HA GLY 18 2HA GLY 18 -2.354 5.556 -5.004
107 2HA GLY 18 1HA GLY 18 -2.783 6.865 -3.917
108 H ALA 19 H ALA 19 -1.163 7.957 -3.107
109 HA ALA 19 HA ALA 19 1.525 7.395 -3.582
110 1HB ALA 19 1HB ALA 19 0.039 9.359 -1.947
111 2HB ALA 19 2HB ALA 19 1.264 9.613 -3.190
112 3HB ALA 19 3HB ALA 19 1.745 9.126 -1.566
113 H ALA 20 H ALA 20 -0.527 6.604 -0.881
114 HA ALA 20 HA ALA 20 -0.284 5.232 0.904
115 1HB ALA 20 1HB ALA 20 0.415 3.332 -0.027
116 2HB ALA 20 2HB ALA 20 2.013 3.767 0.578
117 3HB ALA 20 3HB ALA 20 1.561 4.163 -1.079
118 H GLY 21 H GLY 21 0.568 7.767 1.323
119 1HA GLY 21 2HA GLY 21 3.213 7.873 2.425
120 2HA GLY 21 1HA GLY 21 1.955 9.090 2.617
121 H GLY 22 H GLY 22 3.881 7.313 4.423
122 1HA GLY 22 2HA GLY 22 2.571 7.597 6.807
123 2HA GLY 22 1HA GLY 22 2.023 6.042 6.203
Start of MODEL 3
1 1H GLY 1 H GLY 1 3.914 4.946 5.462
2 1HA GLY 1 2HA GLY 1 6.382 4.426 6.520
3 2HA GLY 1 1HA GLY 1 5.311 4.424 7.918
4 H CYS 2 H CYS 2 3.045 3.434 6.626
5 HA CYS 2 HA CYS 2 3.422 0.655 6.859
6 1HB CYS 2 2HB CYS 2 1.279 1.786 7.268
7 2HB CYS 2 1HB CYS 2 1.175 2.228 5.574
8 H CYS 3 H CYS 3 3.091 2.792 4.088
9 HA CYS 3 HA CYS 3 3.017 0.875 2.071
10 1HB CYS 3 2HB CYS 3 4.060 3.703 1.947
11 2HB CYS 3 1HB CYS 3 3.616 2.710 0.557
12 H SER 4 H SER 4 5.728 2.041 3.891
13 HA SER 4 HA SER 4 7.789 1.422 2.081
14 1HB SER 4 2HB SER 4 7.929 1.239 5.099
15 2HB SER 4 1HB SER 4 9.257 1.556 3.982
16 HG SER 4 HG SER 4 8.732 3.586 3.991
17 H ASN 5 H ASN 5 5.934 -0.489 4.346
18 HA ASN 5 HA ASN 5 7.516 -2.881 3.840
19 1HB ASN 5 2HB ASN 5 5.141 -2.327 5.626
20 2HB ASN 5 1HB ASN 5 5.820 -3.936 5.407
21 1HD2 ASN 5 1HD2 ASN 5 5.883 -1.222 7.286
22 2HD2 ASN 5 2HD2 ASN 5 7.402 -1.463 8.068
23 HA PRO 6 HA PRO 6 5.029 -3.947 0.298
24 1HB PRO 6 2HB PRO 6 5.972 -6.681 0.993
25 2HB PRO 6 1HB PRO 6 6.070 -5.812 -0.542
26 1HG PRO 6 2HG PRO 6 8.231 -6.127 0.982
27 2HG PRO 6 1HG PRO 6 7.947 -4.612 0.104
28 1HD PRO 6 2HD PRO 6 7.580 -5.221 3.007
29 2HD PRO 6 1HD PRO 6 8.168 -3.736 2.229
30 H VAL 7 H VAL 7 4.981 -6.039 3.172
31 HA VAL 7 HA VAL 7 2.490 -7.258 2.646
32 HB VAL 7 HB VAL 7 3.633 -6.783 5.397
33 1HG1 VAL 7 1HG1 VAL 7 2.520 -8.886 5.941
34 2HG1 VAL 7 2HG1 VAL 7 1.933 -9.011 4.282
35 3HG1 VAL 7 3HG1 VAL 7 1.373 -7.699 5.318
36 1HG2 VAL 7 1HG2 VAL 7 5.225 -8.380 5.142
37 2HG2 VAL 7 2HG2 VAL 7 5.144 -7.857 3.461
38 3HG2 VAL 7 3HG2 VAL 7 4.273 -9.301 3.977
39 H CYS 8 H CYS 8 3.413 -4.535 4.704
40 HA CYS 8 HA CYS 8 0.888 -3.925 5.723
41 1HB CYS 8 2HB CYS 8 3.244 -3.005 6.352
42 2HB CYS 8 1HB CYS 8 2.915 -1.796 5.114
43 H HIS 9 H HIS 9 2.560 -2.708 2.843
44 HA HIS 9 HA HIS 9 0.638 -0.847 2.024
45 1HB HIS 9 2HB HIS 9 2.990 -1.180 1.108
46 2HB HIS 9 1HB HIS 9 2.329 -2.508 0.157
47 HD1 HIS 9 1HD HIS 9 -0.185 -1.371 -1.013
48 HD2 HIS 9 2HD HIS 9 3.288 0.881 -0.602
49 HE1 HIS 9 1HE HIS 9 -0.373 0.477 -2.708
50 HE2 HIS 9 2HE HIS 9 1.660 1.914 -2.326
51 H LEU 10 H LEU 10 0.980 -4.282 1.234
52 HA LEU 10 HA LEU 10 -1.233 -4.334 -0.555
53 1HB LEU 10 2HB LEU 10 0.618 -5.939 -0.671
54 2HB LEU 10 1HB LEU 10 0.151 -6.596 0.884
55 HG LEU 10 HG LEU 10 -2.013 -7.311 -0.109
56 1HD1 LEU 10 1HD1 LEU 10 -0.931 -6.952 -2.842
57 2HD1 LEU 10 2HD1 LEU 10 -1.598 -5.528 -2.041
58 3HD1 LEU 10 3HD1 LEU 10 -2.600 -6.960 -2.271
59 1HD2 LEU 10 1HD2 LEU 10 -0.998 -9.258 -0.409
60 2HD2 LEU 10 2HD2 LEU 10 0.556 -8.425 -0.449
61 3HD2 LEU 10 3HD2 LEU 10 -0.335 -8.705 -1.947
62 H GLU 11 H GLU 11 -0.833 -5.655 2.730
63 HA GLU 11 HA GLU 11 -3.476 -6.524 3.067
64 1HB GLU 11 2HB GLU 11 -1.692 -7.307 4.495
65 2HB GLU 11 1HB GLU 11 -1.390 -5.679 5.081
66 1HG GLU 11 2HG GLU 11 -3.915 -5.867 5.835
67 2HG GLU 11 1HG GLU 11 -3.542 -7.591 5.796
68 H HIS 12 H HIS 12 -1.913 -3.531 4.144
69 HA HIS 12 HA HIS 12 -4.486 -2.454 4.977
70 1HB HIS 12 2HB HIS 12 -1.714 -1.261 5.193
71 2HB HIS 12 1HB HIS 12 -3.176 -0.611 5.927
72 HD1 HIS 12 1HD HIS 12 -4.310 -2.216 7.781
73 HD2 HIS 12 2HD HIS 12 -0.414 -3.151 6.689
74 HE1 HIS 12 1HE HIS 12 -3.471 -3.769 9.562
75 HE2 HIS 12 2HE HIS 12 -1.272 -4.589 8.654
76 H SER 13 H SER 13 -4.884 -2.730 2.510
77 HA SER 13 HA SER 13 -3.886 -0.959 0.618
78 1HB SER 13 2HB SER 13 -6.775 -1.797 0.659
79 2HB SER 13 1HB SER 13 -5.705 -1.595 -0.727
80 HG SER 13 HG SER 13 -4.487 -3.422 0.425
81 H ASN 14 H ASN 14 -6.355 -0.499 3.069
82 HA ASN 14 HA ASN 14 -7.411 1.927 2.081
83 1HB ASN 14 2HB ASN 14 -8.471 2.178 4.234
84 2HB ASN 14 1HB ASN 14 -8.546 0.485 3.769
85 1HD2 ASN 14 1HD2 ASN 14 -8.173 2.379 6.318
86 2HD2 ASN 14 2HD2 ASN 14 -7.143 1.405 7.303
87 H LEU 15 H LEU 15 -4.821 1.235 4.406
88 HA LEU 15 HA LEU 15 -4.310 3.961 5.035
89 1HB LEU 15 2HB LEU 15 -2.532 1.532 5.286
90 2HB LEU 15 1HB LEU 15 -2.173 3.106 5.968
91 HG LEU 15 HG LEU 15 -4.504 1.345 6.738
92 1HD1 LEU 15 1HD1 LEU 15 -2.607 2.020 8.810
93 2HD1 LEU 15 2HD1 LEU 15 -1.835 1.160 7.478
94 3HD1 LEU 15 3HD1 LEU 15 -3.216 0.443 8.307
95 1HD2 LEU 15 1HD2 LEU 15 -5.418 3.264 7.427
96 2HD2 LEU 15 2HD2 LEU 15 -3.919 4.165 7.194
97 3HD2 LEU 15 3HD2 LEU 15 -4.180 3.258 8.684
98 H CYS 16 H CYS 16 -2.819 1.633 2.849
99 HA CYS 16 HA CYS 16 -1.168 3.727 1.680
100 1HB CYS 16 2HB CYS 16 -1.178 0.735 1.529
101 2HB CYS 16 1HB CYS 16 -0.314 1.681 0.321
102 H GLY 17 H GLY 17 -3.705 4.258 1.243
103 1HA GLY 17 2HA GLY 17 -3.889 4.133 -1.638
104 2HA GLY 17 1HA GLY 17 -5.197 3.321 -0.784
105 H GLY 18 H GLY 18 -5.469 5.025 1.412
106 1HA GLY 18 2HA GLY 18 -5.706 7.747 0.577
107 2HA GLY 18 1HA GLY 18 -7.253 6.914 0.512
108 H ALA 19 H ALA 19 -4.504 6.988 2.811
109 HA ALA 19 HA ALA 19 -6.302 7.998 4.853
110 1HB ALA 19 1HB ALA 19 -5.515 5.228 4.711
111 2HB ALA 19 2HB ALA 19 -6.689 6.012 5.767
112 3HB ALA 19 3HB ALA 19 -4.986 5.973 6.219
113 H ALA 20 H ALA 20 -3.197 6.343 5.137
114 HA ALA 20 HA ALA 20 -1.581 8.658 5.231
115 1HB ALA 20 1HB ALA 20 -1.229 8.023 7.901
116 2HB ALA 20 2HB ALA 20 -2.981 8.001 7.690
117 3HB ALA 20 3HB ALA 20 -2.059 9.444 7.263
118 H GLY 21 H GLY 21 -0.900 6.611 3.856
119 1HA GLY 21 2HA GLY 21 0.489 4.559 5.323
120 2HA GLY 21 1HA GLY 21 0.497 4.783 3.582
121 H GLY 22 H GLY 22 1.498 6.990 6.182
122 1HA GLY 22 2HA GLY 22 3.961 7.594 4.794
123 2HA GLY 22 1HA GLY 22 3.401 8.316 6.295
Start of MODEL 4
1 1H GLY 1 H GLY 1 5.718 4.394 5.539
2 1HA GLY 1 2HA GLY 1 7.514 2.887 7.140
3 2HA GLY 1 1HA GLY 1 6.148 3.414 8.107
4 H CYS 2 H CYS 2 3.994 2.857 7.259
5 HA CYS 2 HA CYS 2 3.755 0.108 6.830
6 1HB CYS 2 2HB CYS 2 1.979 1.541 7.793
7 2HB CYS 2 1HB CYS 2 1.709 2.246 6.207
8 H CYS 3 H CYS 3 3.492 2.799 4.563
9 HA CYS 3 HA CYS 3 2.821 1.252 2.312
10 1HB CYS 3 2HB CYS 3 4.235 3.922 2.370
11 2HB CYS 3 1HB CYS 3 3.385 3.224 0.995
12 H SER 4 H SER 4 5.874 2.074 3.776
13 HA SER 4 HA SER 4 7.571 1.387 1.635
14 1HB SER 4 2HB SER 4 8.212 1.206 4.584
15 2HB SER 4 1HB SER 4 9.339 1.478 3.254
16 HG SER 4 HG SER 4 8.961 3.516 3.515
17 H ASN 5 H ASN 5 6.019 -0.478 4.164
18 HA ASN 5 HA ASN 5 7.504 -2.880 3.473
19 1HB ASN 5 2HB ASN 5 5.328 -2.346 5.504
20 2HB ASN 5 1HB ASN 5 6.007 -3.943 5.219
21 1HD2 ASN 5 1HD2 ASN 5 7.473 -4.491 6.654
22 2HD2 ASN 5 2HD2 ASN 5 8.575 -3.426 7.446
23 HA PRO 6 HA PRO 6 4.682 -3.931 0.203
24 1HB PRO 6 2HB PRO 6 5.340 -6.643 0.246
25 2HB PRO 6 1HB PRO 6 6.145 -5.399 -0.712
26 1HG PRO 6 2HG PRO 6 6.940 -6.591 1.903
27 2HG PRO 6 1HG PRO 6 7.957 -6.078 0.545
28 1HD PRO 6 2HD PRO 6 7.747 -4.599 2.766
29 2HD PRO 6 1HD PRO 6 7.870 -3.843 1.163
30 H VAL 7 H VAL 7 4.906 -5.951 3.115
31 HA VAL 7 HA VAL 7 2.415 -7.248 2.808
32 HB VAL 7 HB VAL 7 3.679 -6.644 5.472
33 1HG1 VAL 7 1HG1 VAL 7 2.276 -8.157 6.307
34 2HG1 VAL 7 2HG1 VAL 7 2.604 -9.305 5.009
35 3HG1 VAL 7 3HG1 VAL 7 1.405 -8.032 4.778
36 1HG2 VAL 7 1HG2 VAL 7 4.663 -8.418 3.301
37 2HG2 VAL 7 2HG2 VAL 7 4.742 -9.031 4.953
38 3HG2 VAL 7 3HG2 VAL 7 5.561 -7.526 4.530
39 H CYS 8 H CYS 8 3.410 -4.501 4.808
40 HA CYS 8 HA CYS 8 0.884 -3.945 5.879
41 1HB CYS 8 2HB CYS 8 3.237 -3.077 6.570
42 2HB CYS 8 1HB CYS 8 2.930 -1.796 5.404
43 H HIS 9 H HIS 9 2.504 -2.710 2.974
44 HA HIS 9 HA HIS 9 0.533 -0.808 2.287
45 1HB HIS 9 2HB HIS 9 2.859 -0.962 1.321
46 2HB HIS 9 1HB HIS 9 2.298 -2.330 0.364
47 HD1 HIS 9 1HD HIS 9 -0.067 -1.563 -1.074
48 HD2 HIS 9 2HD HIS 9 2.768 1.316 -0.100
49 HE1 HIS 9 1HE HIS 9 -0.454 0.333 -2.676
50 HE2 HIS 9 2HE HIS 9 1.093 2.157 -1.884
51 H LEU 10 H LEU 10 0.984 -4.191 1.297
52 HA LEU 10 HA LEU 10 -1.262 -4.257 -0.436
53 1HB LEU 10 2HB LEU 10 0.600 -5.835 -0.611
54 2HB LEU 10 1HB LEU 10 0.187 -6.510 0.952
55 HG LEU 10 HG LEU 10 -1.997 -7.247 0.005
56 1HD1 LEU 10 1HD1 LEU 10 -2.003 -5.550 -1.838
57 2HD1 LEU 10 2HD1 LEU 10 -2.406 -7.193 -2.338
58 3HD1 LEU 10 3HD1 LEU 10 -0.800 -6.539 -2.664
59 1HD2 LEU 10 1HD2 LEU 10 0.528 -8.241 -1.305
60 2HD2 LEU 10 2HD2 LEU 10 -1.023 -9.076 -1.381
61 3HD2 LEU 10 3HD2 LEU 10 -0.221 -8.843 0.173
62 H GLU 11 H GLU 11 -0.804 -5.531 2.863
63 HA GLU 11 HA GLU 11 -3.429 -6.477 3.211
64 1HB GLU 11 2HB GLU 11 -1.587 -7.169 4.649
65 2HB GLU 11 1HB GLU 11 -1.401 -5.526 5.245
66 1HG GLU 11 2HG GLU 11 -3.887 -5.831 5.987
67 2HG GLU 11 1HG GLU 11 -3.496 -7.546 5.866
68 H HIS 12 H HIS 12 -1.909 -3.422 4.175
69 HA HIS 12 HA HIS 12 -4.533 -2.346 4.896
70 1HB HIS 12 2HB HIS 12 -1.805 -1.112 5.323
71 2HB HIS 12 1HB HIS 12 -3.326 -0.570 6.020
72 HD1 HIS 12 1HD HIS 12 -4.416 -2.207 7.825
73 HD2 HIS 12 2HD HIS 12 -0.508 -3.103 6.730
74 HE1 HIS 12 1HE HIS 12 -3.581 -3.803 9.569
75 HE2 HIS 12 2HE HIS 12 -1.367 -4.585 8.663
76 H SER 13 H SER 13 -4.383 -2.686 2.234
77 HA SER 13 HA SER 13 -3.285 -0.571 0.742
78 1HB SER 13 2HB SER 13 -5.634 -2.389 0.174
79 2HB SER 13 1HB SER 13 -5.008 -1.224 -0.994
80 HG SER 13 HG SER 13 -3.756 -3.526 0.070
81 H ASN 14 H ASN 14 -6.072 -0.764 2.739
82 HA ASN 14 HA ASN 14 -7.564 1.381 1.651
83 1HB ASN 14 2HB ASN 14 -8.838 1.325 3.710
84 2HB ASN 14 1HB ASN 14 -8.500 -0.328 3.212
85 1HD2 ASN 14 1HD2 ASN 14 -8.690 1.590 5.802
86 2HD2 ASN 14 2HD2 ASN 14 -7.577 0.802 6.860
87 H LEU 15 H LEU 15 -4.905 1.177 3.925
88 HA LEU 15 HA LEU 15 -5.097 4.015 4.570
89 1HB LEU 15 2HB LEU 15 -3.125 1.911 5.470
90 2HB LEU 15 1HB LEU 15 -3.179 3.562 6.058
91 HG LEU 15 HG LEU 15 -5.387 1.533 6.413
92 1HD1 LEU 15 1HD1 LEU 15 -3.139 2.423 8.189
93 2HD1 LEU 15 2HD1 LEU 15 -3.644 0.784 7.777
94 3HD1 LEU 15 3HD1 LEU 15 -4.638 1.770 8.848
95 1HD2 LEU 15 1HD2 LEU 15 -6.648 3.303 6.881
96 2HD2 LEU 15 2HD2 LEU 15 -5.272 4.396 6.724
97 3HD2 LEU 15 3HD2 LEU 15 -5.603 3.609 8.268
98 H CYS 16 H CYS 16 -2.785 1.759 3.125
99 HA CYS 16 HA CYS 16 -1.237 3.999 2.097
100 1HB CYS 16 2HB CYS 16 -0.684 1.090 2.484
101 2HB CYS 16 1HB CYS 16 0.249 1.992 1.293
102 H GLY 17 H GLY 17 -3.591 3.981 0.868
103 1HA GLY 17 2HA GLY 17 -3.889 2.392 -1.422
104 2HA GLY 17 1HA GLY 17 -4.522 4.026 -1.245
105 H GLY 18 H GLY 18 -2.134 5.395 -0.910
106 1HA GLY 18 2HA GLY 18 -0.989 5.178 -3.613
107 2HA GLY 18 1HA GLY 18 -1.027 6.646 -2.643
108 H ALA 19 H ALA 19 0.906 7.198 -1.946
109 HA ALA 19 HA ALA 19 2.609 5.246 -0.642
110 1HB ALA 19 1HB ALA 19 3.683 4.908 -2.633
111 2HB ALA 19 2HB ALA 19 4.562 6.333 -2.078
112 3HB ALA 19 3HB ALA 19 3.262 6.502 -3.256
113 H ALA 20 H ALA 20 1.199 7.242 0.531
114 HA ALA 20 HA ALA 20 3.136 9.397 1.016
115 1HB ALA 20 1HB ALA 20 0.212 9.304 0.889
116 2HB ALA 20 2HB ALA 20 1.318 10.650 0.621
117 3HB ALA 20 3HB ALA 20 0.848 10.208 2.262
118 H GLY 21 H GLY 21 3.384 6.766 2.136
119 1HA GLY 21 2HA GLY 21 3.145 7.472 4.992
120 2HA GLY 21 1HA GLY 21 2.753 5.857 4.416
121 H GLY 22 H GLY 22 5.054 7.554 5.933
122 1HA GLY 22 2HA GLY 22 7.379 6.393 4.651
123 2HA GLY 22 1HA GLY 22 7.380 7.475 6.036
Start of MODEL 5
1 1H GLY 1 H GLY 1 6.384 4.993 6.176
2 1HA GLY 1 2HA GLY 1 7.476 3.071 6.813
3 2HA GLY 1 1HA GLY 1 6.503 3.053 8.269
4 H CYS 2 H CYS 2 3.977 2.828 7.238
5 HA CYS 2 HA CYS 2 3.745 0.075 6.802
6 1HB CYS 2 2HB CYS 2 1.965 1.544 7.740
7 2HB CYS 2 1HB CYS 2 1.702 2.199 6.130
8 H CYS 3 H CYS 3 3.427 2.769 4.511
9 HA CYS 3 HA CYS 3 2.839 1.168 2.273
10 1HB CYS 3 2HB CYS 3 4.112 3.905 2.342
11 2HB CYS 3 1HB CYS 3 3.366 3.151 0.937
12 H SER 4 H SER 4 5.843 2.026 3.786
13 HA SER 4 HA SER 4 7.565 1.400 1.627
14 1HB SER 4 2HB SER 4 8.214 1.238 4.578
15 2HB SER 4 1HB SER 4 9.334 1.526 3.245
16 HG SER 4 HG SER 4 8.623 3.553 3.049
17 H ASN 5 H ASN 5 5.986 -0.461 4.108
18 HA ASN 5 HA ASN 5 7.500 -2.867 3.507
19 1HB ASN 5 2HB ASN 5 5.346 -2.186 5.497
20 2HB ASN 5 1HB ASN 5 5.816 -3.858 5.198
21 1HD2 ASN 5 1HD2 ASN 5 6.478 -1.064 6.937
22 2HD2 ASN 5 2HD2 ASN 5 7.998 -1.544 7.604
23 HA PRO 6 HA PRO 6 4.764 -4.007 0.182
24 1HB PRO 6 2HB PRO 6 5.797 -6.715 0.868
25 2HB PRO 6 1HB PRO 6 5.749 -5.890 -0.694
26 1HG PRO 6 2HG PRO 6 8.039 -6.120 0.633
27 2HG PRO 6 1HG PRO 6 7.641 -4.623 -0.232
28 1HD PRO 6 2HD PRO 6 7.530 -5.209 2.698
29 2HD PRO 6 1HD PRO 6 8.036 -3.725 1.863
30 H VAL 7 H VAL 7 4.922 -6.010 3.122
31 HA VAL 7 HA VAL 7 2.417 -7.271 2.766
32 HB VAL 7 HB VAL 7 3.657 -6.726 5.454
33 1HG1 VAL 7 1HG1 VAL 7 1.856 -7.900 6.056
34 2HG1 VAL 7 2HG1 VAL 7 2.721 -9.300 5.424
35 3HG1 VAL 7 3HG1 VAL 7 1.552 -8.455 4.410
36 1HG2 VAL 7 1HG2 VAL 7 4.962 -8.802 5.173
37 2HG2 VAL 7 2HG2 VAL 7 5.452 -7.545 4.037
38 3HG2 VAL 7 3HG2 VAL 7 4.442 -8.883 3.490
39 H CYS 8 H CYS 8 3.426 -4.561 4.814
40 HA CYS 8 HA CYS 8 0.906 -3.971 5.876
41 1HB CYS 8 2HB CYS 8 3.276 -3.105 6.538
42 2HB CYS 8 1HB CYS 8 2.948 -1.828 5.373
43 H HIS 9 H HIS 9 2.537 -2.775 2.971
44 HA HIS 9 HA HIS 9 0.623 -0.841 2.250
45 1HB HIS 9 2HB HIS 9 2.969 -1.182 1.293
46 2HB HIS 9 1HB HIS 9 2.257 -2.449 0.297
47 HD1 HIS 9 1HD HIS 9 -0.274 -1.178 -0.724
48 HD2 HIS 9 2HD HIS 9 3.296 0.923 -0.367
49 HE1 HIS 9 1HE HIS 9 -0.459 0.746 -2.332
50 HE2 HIS 9 2HE HIS 9 1.759 1.926 -2.192
51 H LEU 10 H LEU 10 0.941 -4.261 1.384
52 HA LEU 10 HA LEU 10 -1.289 -4.282 -0.387
53 1HB LEU 10 2HB LEU 10 0.717 -5.906 -0.224
54 2HB LEU 10 1HB LEU 10 -0.205 -6.700 1.035
55 HG LEU 10 HG LEU 10 -0.361 -7.747 -1.244
56 1HD1 LEU 10 1HD1 LEU 10 -2.028 -8.461 0.187
57 2HD1 LEU 10 2HD1 LEU 10 -2.941 -7.833 -1.185
58 3HD1 LEU 10 3HD1 LEU 10 -2.776 -6.867 0.281
59 1HD2 LEU 10 1HD2 LEU 10 -0.412 -5.709 -2.568
60 2HD2 LEU 10 2HD2 LEU 10 -1.968 -5.273 -1.861
61 3HD2 LEU 10 3HD2 LEU 10 -1.835 -6.701 -2.888
62 H GLU 11 H GLU 11 -0.859 -5.573 2.907
63 HA GLU 11 HA GLU 11 -3.499 -6.418 3.308
64 1HB GLU 11 2HB GLU 11 -1.653 -7.125 4.737
65 2HB GLU 11 1HB GLU 11 -1.432 -5.478 5.304
66 1HG GLU 11 2HG GLU 11 -3.905 -5.711 6.082
67 2HG GLU 11 1HG GLU 11 -3.575 -7.440 5.964
68 H HIS 12 H HIS 12 -1.901 -3.404 4.286
69 HA HIS 12 HA HIS 12 -4.507 -2.252 4.956
70 1HB HIS 12 2HB HIS 12 -1.783 -1.004 5.357
71 2HB HIS 12 1HB HIS 12 -3.302 -0.515 6.093
72 HD1 HIS 12 1HD HIS 12 -4.250 -2.064 7.997
73 HD2 HIS 12 2HD HIS 12 -0.456 -3.092 6.650
74 HE1 HIS 12 1HE HIS 12 -3.354 -3.687 9.685
75 HE2 HIS 12 2HE HIS 12 -1.232 -4.542 8.639
76 H SER 13 H SER 13 -4.300 -2.701 2.330
77 HA SER 13 HA SER 13 -3.144 -0.740 0.723
78 1HB SER 13 2HB SER 13 -5.231 -1.432 -0.784
79 2HB SER 13 1HB SER 13 -3.879 -2.534 -0.513
80 HG SER 13 HG SER 13 -5.152 -3.811 0.563
81 H ASN 14 H ASN 14 -6.162 -0.799 2.472
82 HA ASN 14 HA ASN 14 -7.378 1.465 1.330
83 1HB ASN 14 2HB ASN 14 -8.648 -0.114 2.675
84 2HB ASN 14 1HB ASN 14 -7.668 0.250 4.089
85 1HD2 ASN 14 1HD2 ASN 14 -10.452 1.006 2.363
86 2HD2 ASN 14 2HD2 ASN 14 -10.908 2.427 3.231
87 H LEU 15 H LEU 15 -5.140 1.089 4.054
88 HA LEU 15 HA LEU 15 -5.223 3.863 4.764
89 1HB LEU 15 2HB LEU 15 -3.221 1.720 5.490
90 2HB LEU 15 1HB LEU 15 -3.316 3.309 6.223
91 HG LEU 15 HG LEU 15 -5.445 1.175 6.383
92 1HD1 LEU 15 1HD1 LEU 15 -3.764 0.428 7.787
93 2HD1 LEU 15 2HD1 LEU 15 -4.771 1.390 8.870
94 3HD1 LEU 15 3HD1 LEU 15 -3.270 2.060 8.233
95 1HD2 LEU 15 1HD2 LEU 15 -5.350 3.716 7.972
96 2HD2 LEU 15 2HD2 LEU 15 -6.706 2.618 7.712
97 3HD2 LEU 15 3HD2 LEU 15 -6.141 3.649 6.396
98 H CYS 16 H CYS 16 -2.943 1.775 3.040
99 HA CYS 16 HA CYS 16 -1.290 4.053 2.354
100 1HB CYS 16 2HB CYS 16 -1.032 1.103 2.120
101 2HB CYS 16 1HB CYS 16 -0.122 2.097 0.983
102 H GLY 17 H GLY 17 -3.865 4.276 1.332
103 1HA GLY 17 2HA GLY 17 -4.044 3.424 -1.378
104 2HA GLY 17 1HA GLY 17 -5.003 4.693 -0.625
105 H GLY 18 H GLY 18 -2.925 6.376 0.188
106 1HA GLY 18 2HA GLY 18 -1.279 6.998 -2.104
107 2HA GLY 18 1HA GLY 18 -2.592 8.137 -1.829
108 H ALA 19 H ALA 19 -0.855 6.441 0.698
109 HA ALA 19 HA ALA 19 -0.217 8.925 1.997
110 1HB ALA 19 1HB ALA 19 1.089 7.058 3.464
111 2HB ALA 19 2HB ALA 19 -0.161 6.073 2.702
112 3HB ALA 19 3HB ALA 19 -0.611 7.474 3.674
113 H ALA 20 H ALA 20 1.497 6.397 0.311
114 HA ALA 20 HA ALA 20 3.567 6.206 -0.586
115 1HB ALA 20 1HB ALA 20 3.218 9.181 -0.592
116 2HB ALA 20 2HB ALA 20 3.160 8.048 -1.943
117 3HB ALA 20 3HB ALA 20 4.702 8.432 -1.179
118 H GLY 21 H GLY 21 3.331 6.138 2.310
119 1HA GLY 21 2HA GLY 21 5.989 5.912 3.023
120 2HA GLY 21 1HA GLY 21 5.519 7.546 3.466
121 H GLY 22 H GLY 22 5.469 7.459 5.618
122 1HA GLY 22 2HA GLY 22 4.682 7.011 7.722
123 2HA GLY 22 1HA GLY 22 3.279 6.293 6.948
Start of MODEL 6
1 1H GLY 1 H GLY 1 4.398 5.467 7.285
2 1HA GLY 1 2HA GLY 1 6.685 4.035 6.454
3 2HA GLY 1 1HA GLY 1 5.895 3.875 8.016
4 H CYS 2 H CYS 2 3.377 3.097 6.987
5 HA CYS 2 HA CYS 2 3.628 0.306 6.886
6 1HB CYS 2 2HB CYS 2 1.601 1.516 7.619
7 2HB CYS 2 1HB CYS 2 1.341 2.073 5.977
8 H CYS 3 H CYS 3 3.244 2.753 4.421
9 HA CYS 3 HA CYS 3 2.835 1.084 2.209
10 1HB CYS 3 2HB CYS 3 4.120 3.814 2.209
11 2HB CYS 3 1HB CYS 3 3.271 3.037 0.874
12 H SER 4 H SER 4 5.745 2.076 3.855
13 HA SER 4 HA SER 4 7.602 1.454 1.825
14 1HB SER 4 2HB SER 4 8.051 1.286 4.814
15 2HB SER 4 1HB SER 4 9.266 1.561 3.565
16 HG SER 4 HG SER 4 7.754 3.478 3.092
17 H ASN 5 H ASN 5 5.926 -0.472 4.214
18 HA ASN 5 HA ASN 5 7.508 -2.837 3.598
19 1HB ASN 5 2HB ASN 5 5.235 -2.342 5.523
20 2HB ASN 5 1HB ASN 5 5.907 -3.940 5.237
21 1HD2 ASN 5 1HD2 ASN 5 8.399 -1.820 4.895
22 2HD2 ASN 5 2HD2 ASN 5 9.020 -1.856 6.508
23 HA PRO 6 HA PRO 6 4.859 -3.938 0.199
24 1HB PRO 6 2HB PRO 6 5.537 -6.635 0.240
25 2HB PRO 6 1HB PRO 6 6.406 -5.374 -0.634
26 1HG PRO 6 2HG PRO 6 7.009 -6.606 2.015
27 2HG PRO 6 1HG PRO 6 8.124 -6.094 0.735
28 1HD PRO 6 2HD PRO 6 7.768 -4.626 2.950
29 2HD PRO 6 1HD PRO 6 8.015 -3.862 1.365
30 H VAL 7 H VAL 7 4.983 -6.047 3.063
31 HA VAL 7 HA VAL 7 2.490 -7.307 2.635
32 HB VAL 7 HB VAL 7 3.672 -6.829 5.360
33 1HG1 VAL 7 1HG1 VAL 7 2.071 -8.208 6.012
34 2HG1 VAL 7 2HG1 VAL 7 2.724 -9.470 4.967
35 3HG1 VAL 7 3HG1 VAL 7 1.503 -8.357 4.349
36 1HG2 VAL 7 1HG2 VAL 7 5.516 -7.976 4.876
37 2HG2 VAL 7 2HG2 VAL 7 5.022 -8.039 3.184
38 3HG2 VAL 7 3HG2 VAL 7 4.547 -9.329 4.291
39 H CYS 8 H CYS 8 3.466 -4.630 4.727
40 HA CYS 8 HA CYS 8 0.969 -4.071 5.834
41 1HB CYS 8 2HB CYS 8 3.345 -3.166 6.426
42 2HB CYS 8 1HB CYS 8 2.959 -1.899 5.265
43 H HIS 9 H HIS 9 2.523 -2.790 2.912
44 HA HIS 9 HA HIS 9 0.536 -0.914 2.255
45 1HB HIS 9 2HB HIS 9 2.850 -1.112 1.234
46 2HB HIS 9 1HB HIS 9 2.218 -2.445 0.270
47 HD1 HIS 9 1HD HIS 9 -0.353 -1.446 -0.836
48 HD2 HIS 9 2HD HIS 9 2.941 1.052 -0.365
49 HE1 HIS 9 1HE HIS 9 -0.708 0.450 -2.447
50 HE2 HIS 9 2HE HIS 9 1.203 2.031 -2.012
51 H LEU 10 H LEU 10 0.949 -4.302 1.281
52 HA LEU 10 HA LEU 10 -1.302 -4.370 -0.435
53 1HB LEU 10 2HB LEU 10 0.552 -5.972 -0.567
54 2HB LEU 10 1HB LEU 10 0.097 -6.632 0.993
55 HG LEU 10 HG LEU 10 -2.074 -7.346 0.015
56 1HD1 LEU 10 1HD1 LEU 10 -2.320 -5.786 -1.781
57 2HD1 LEU 10 2HD1 LEU 10 -2.225 -7.408 -2.469
58 3HD1 LEU 10 3HD1 LEU 10 -0.824 -6.338 -2.534
59 1HD2 LEU 10 1HD2 LEU 10 -1.219 -9.312 -0.783
60 2HD2 LEU 10 2HD2 LEU 10 0.208 -8.661 0.023
61 3HD2 LEU 10 3HD2 LEU 10 0.038 -8.513 -1.726
62 H GLU 11 H GLU 11 -0.849 -5.594 2.880
63 HA GLU 11 HA GLU 11 -3.495 -6.484 3.246
64 1HB GLU 11 2HB GLU 11 -1.648 -7.219 4.662
65 2HB GLU 11 1HB GLU 11 -1.433 -5.583 5.267
66 1HG GLU 11 2HG GLU 11 -3.913 -5.843 6.025
67 2HG GLU 11 1HG GLU 11 -3.568 -7.567 5.881
68 H HIS 12 H HIS 12 -1.891 -3.474 4.209
69 HA HIS 12 HA HIS 12 -4.477 -2.331 4.966
70 1HB HIS 12 2HB HIS 12 -1.716 -1.157 5.341
71 2HB HIS 12 1HB HIS 12 -3.211 -0.599 6.080
72 HD1 HIS 12 1HD HIS 12 -4.280 -2.224 7.901
73 HD2 HIS 12 2HD HIS 12 -0.424 -3.199 6.691
74 HE1 HIS 12 1HE HIS 12 -3.435 -3.858 9.605
75 HE2 HIS 12 2HE HIS 12 -1.269 -4.686 8.624
76 H SER 13 H SER 13 -4.418 -2.669 2.325
77 HA SER 13 HA SER 13 -3.272 -0.636 0.777
78 1HB SER 13 2HB SER 13 -5.714 -2.352 0.323
79 2HB SER 13 1HB SER 13 -5.107 -1.214 -0.880
80 HG SER 13 HG SER 13 -3.869 -3.543 0.147
81 H ASN 14 H ASN 14 -6.092 -0.658 2.797
82 HA ASN 14 HA ASN 14 -7.375 1.602 1.671
83 1HB ASN 14 2HB ASN 14 -8.698 1.670 3.727
84 2HB ASN 14 1HB ASN 14 -8.580 0.025 3.117
85 1HD2 ASN 14 1HD2 ASN 14 -8.641 1.724 5.832
86 2HD2 ASN 14 2HD2 ASN 14 -7.668 0.733 6.857
87 H LEU 15 H LEU 15 -4.829 1.212 4.077
88 HA LEU 15 HA LEU 15 -4.862 4.012 4.803
89 1HB LEU 15 2HB LEU 15 -2.979 1.743 5.425
90 2HB LEU 15 1HB LEU 15 -2.600 3.396 5.859
91 HG LEU 15 HG LEU 15 -4.930 3.302 7.071
92 1HD1 LEU 15 1HD1 LEU 15 -5.627 1.142 6.277
93 2HD1 LEU 15 2HD1 LEU 15 -5.350 1.063 8.017
94 3HD1 LEU 15 3HD1 LEU 15 -4.156 0.398 6.903
95 1HD2 LEU 15 1HD2 LEU 15 -3.775 2.488 9.102
96 2HD2 LEU 15 2HD2 LEU 15 -2.849 3.696 8.209
97 3HD2 LEU 15 3HD2 LEU 15 -2.417 1.989 8.092
98 H CYS 16 H CYS 16 -2.770 1.837 2.979
99 HA CYS 16 HA CYS 16 -1.251 4.073 1.919
100 1HB CYS 16 2HB CYS 16 -0.939 1.087 1.783
101 2HB CYS 16 1HB CYS 16 0.039 2.164 0.790
102 H GLY 17 H GLY 17 -3.813 4.224 1.142
103 1HA GLY 17 2HA GLY 17 -3.561 4.063 -1.745
104 2HA GLY 17 1HA GLY 17 -4.879 3.124 -1.046
105 H GLY 18 H GLY 18 -3.585 6.185 0.049
106 1HA GLY 18 2HA GLY 18 -5.516 7.881 -1.087
107 2HA GLY 18 1HA GLY 18 -6.061 7.384 0.512
108 H ALA 19 H ALA 19 -5.398 8.561 2.182
109 HA ALA 19 HA ALA 19 -2.819 9.911 2.081
110 1HB ALA 19 1HB ALA 19 -5.437 11.365 2.423
111 2HB ALA 19 2HB ALA 19 -4.223 11.612 1.168
112 3HB ALA 19 3HB ALA 19 -3.869 12.058 2.837
113 H ALA 20 H ALA 20 -3.257 7.761 3.588
114 HA ALA 20 HA ALA 20 -3.093 8.824 6.279
115 1HB ALA 20 1HB ALA 20 -5.534 7.785 5.390
116 2HB ALA 20 2HB ALA 20 -5.062 8.134 7.053
117 3HB ALA 20 3HB ALA 20 -4.818 6.519 6.389
118 H GLY 21 H GLY 21 -1.053 7.819 4.806
119 1HA GLY 21 2HA GLY 21 -0.134 5.679 6.439
120 2HA GLY 21 1HA GLY 21 -0.560 5.102 4.834
121 H GLY 22 H GLY 22 2.049 5.263 6.200
122 1HA GLY 22 2HA GLY 22 3.497 6.485 3.991
123 2HA GLY 22 1HA GLY 22 3.822 7.151 5.586
Start of MODEL 7
1 1H GLY 1 H GLY 1 4.397 5.949 4.930
2 1HA GLY 1 2HA GLY 1 6.557 5.266 5.403
3 2HA GLY 1 1HA GLY 1 6.160 5.300 7.112
4 H CYS 2 H CYS 2 4.142 3.531 7.282
5 HA CYS 2 HA CYS 2 5.416 1.025 7.363
6 1HB CYS 2 2HB CYS 2 3.458 1.763 8.746
7 2HB CYS 2 1HB CYS 2 2.444 1.607 7.324
8 H CYS 3 H CYS 3 3.381 2.579 5.023
9 HA CYS 3 HA CYS 3 2.704 0.429 3.398
10 1HB CYS 3 2HB CYS 3 3.174 3.301 2.603
11 2HB CYS 3 1HB CYS 3 2.303 2.099 1.650
12 H SER 4 H SER 4 5.782 1.901 3.818
13 HA SER 4 HA SER 4 6.907 1.341 1.284
14 1HB SER 4 2HB SER 4 8.262 1.493 3.992
15 2HB SER 4 1HB SER 4 9.078 1.561 2.430
16 HG SER 4 HG SER 4 8.587 3.594 2.316
17 H ASN 5 H ASN 5 5.986 -0.607 3.951
18 HA ASN 5 HA ASN 5 7.642 -2.876 3.156
19 1HB ASN 5 2HB ASN 5 5.527 -2.570 5.303
20 2HB ASN 5 1HB ASN 5 6.403 -4.061 4.994
21 1HD2 ASN 5 1HD2 ASN 5 8.542 -1.636 4.396
22 2HD2 ASN 5 2HD2 ASN 5 9.284 -1.528 5.953
23 HA PRO 6 HA PRO 6 4.766 -4.295 0.106
24 1HB PRO 6 2HB PRO 6 5.362 -7.011 0.434
25 2HB PRO 6 1HB PRO 6 6.165 -5.892 -0.669
26 1HG PRO 6 2HG PRO 6 7.004 -6.814 2.038
27 2HG PRO 6 1HG PRO 6 7.996 -6.452 0.615
28 1HD PRO 6 2HD PRO 6 7.851 -4.752 2.678
29 2HD PRO 6 1HD PRO 6 7.937 -4.161 1.004
30 H VAL 7 H VAL 7 4.928 -6.062 3.191
31 HA VAL 7 HA VAL 7 2.391 -7.288 2.972
32 HB VAL 7 HB VAL 7 3.715 -6.553 5.574
33 1HG1 VAL 7 1HG1 VAL 7 2.005 -8.919 4.819
34 2HG1 VAL 7 2HG1 VAL 7 1.437 -7.481 5.667
35 3HG1 VAL 7 3HG1 VAL 7 2.630 -8.537 6.425
36 1HG2 VAL 7 1HG2 VAL 7 5.244 -8.256 5.418
37 2HG2 VAL 7 2HG2 VAL 7 5.176 -7.748 3.732
38 3HG2 VAL 7 3HG2 VAL 7 4.276 -9.168 4.259
39 H CYS 8 H CYS 8 3.476 -4.413 4.733
40 HA CYS 8 HA CYS 8 0.980 -3.711 5.790
41 1HB CYS 8 2HB CYS 8 3.264 -2.838 6.478
42 2HB CYS 8 1HB CYS 8 3.160 -1.752 5.097
43 H HIS 9 H HIS 9 2.607 -2.651 2.808
44 HA HIS 9 HA HIS 9 0.677 -0.761 2.021
45 1HB HIS 9 2HB HIS 9 3.039 -1.271 1.045
46 2HB HIS 9 1HB HIS 9 2.178 -2.419 0.023
47 HD1 HIS 9 1HD HIS 9 -0.198 -0.952 -0.979
48 HD2 HIS 9 2HD HIS 9 3.453 0.958 -0.400
49 HE1 HIS 9 1HE HIS 9 -0.260 1.096 -2.445
50 HE2 HIS 9 2HE HIS 9 1.887 2.316 -1.951
51 H LEU 10 H LEU 10 0.976 -4.207 1.324
52 HA LEU 10 HA LEU 10 -1.266 -4.309 -0.422
53 1HB LEU 10 2HB LEU 10 0.571 -5.928 -0.511
54 2HB LEU 10 1HB LEU 10 0.128 -6.526 1.075
55 HG LEU 10 HG LEU 10 -2.057 -7.263 0.143
56 1HD1 LEU 10 1HD1 LEU 10 -2.622 -7.089 -2.074
57 2HD1 LEU 10 2HD1 LEU 10 -0.947 -6.915 -2.601
58 3HD1 LEU 10 3HD1 LEU 10 -1.772 -5.564 -1.823
59 1HD2 LEU 10 1HD2 LEU 10 0.246 -8.419 -1.407
60 2HD2 LEU 10 2HD2 LEU 10 -1.215 -9.236 -0.851
61 3HD2 LEU 10 3HD2 LEU 10 0.001 -8.714 0.315
62 H GLU 11 H GLU 11 -0.847 -5.464 2.935
63 HA GLU 11 HA GLU 11 -3.526 -6.279 3.243
64 1HB GLU 11 2HB GLU 11 -1.685 -7.079 4.660
65 2HB GLU 11 1HB GLU 11 -1.527 -5.476 5.362
66 1HG GLU 11 2HG GLU 11 -4.236 -6.396 5.586
67 2HG GLU 11 1HG GLU 11 -3.118 -7.583 6.261
68 H HIS 12 H HIS 12 -1.868 -3.308 4.274
69 HA HIS 12 HA HIS 12 -4.445 -2.126 4.996
70 1HB HIS 12 2HB HIS 12 -1.697 -0.872 5.171
71 2HB HIS 12 1HB HIS 12 -3.174 -0.269 5.898
72 HD1 HIS 12 1HD HIS 12 -4.063 -1.534 8.006
73 HD2 HIS 12 2HD HIS 12 -0.397 -2.889 6.606
74 HE1 HIS 12 1HE HIS 12 -3.127 -2.952 9.849
75 HE2 HIS 12 2HE HIS 12 -1.126 -4.045 8.795
76 H SER 13 H SER 13 -4.258 -2.729 2.336
77 HA SER 13 HA SER 13 -3.231 -0.808 0.625
78 1HB SER 13 2HB SER 13 -5.381 -1.611 -0.764
79 2HB SER 13 1HB SER 13 -3.963 -2.637 -0.539
80 HG SER 13 HG SER 13 -5.082 -3.921 0.708
81 H ASN 14 H ASN 14 -6.266 -0.869 2.379
82 HA ASN 14 HA ASN 14 -7.435 1.401 1.164
83 1HB ASN 14 2HB ASN 14 -7.931 0.099 3.848
84 2HB ASN 14 1HB ASN 14 -8.912 1.411 3.201
85 1HD2 ASN 14 1HD2 ASN 14 -8.796 -1.821 3.566
86 2HD2 ASN 14 2HD2 ASN 14 -9.784 -2.310 2.237
87 H LEU 15 H LEU 15 -5.179 1.003 3.819
88 HA LEU 15 HA LEU 15 -5.435 3.776 4.640
89 1HB LEU 15 2HB LEU 15 -3.572 1.565 5.521
90 2HB LEU 15 1HB LEU 15 -3.502 3.196 6.155
91 HG LEU 15 HG LEU 15 -4.650 1.888 7.756
92 1HD1 LEU 15 1HD1 LEU 15 -5.832 4.082 6.533
93 2HD1 LEU 15 2HD1 LEU 15 -6.183 3.434 8.135
94 3HD1 LEU 15 3HD1 LEU 15 -7.140 2.918 6.746
95 1HD2 LEU 15 1HD2 LEU 15 -6.954 0.870 6.796
96 2HD2 LEU 15 2HD2 LEU 15 -5.460 -0.051 6.960
97 3HD2 LEU 15 3HD2 LEU 15 -5.900 0.645 5.401
98 H CYS 16 H CYS 16 -3.380 1.760 2.728
99 HA CYS 16 HA CYS 16 -1.347 3.775 2.374
100 1HB CYS 16 2HB CYS 16 -1.695 0.981 1.300
101 2HB CYS 16 1HB CYS 16 -0.342 2.022 0.863
102 H GLY 17 H GLY 17 -3.702 4.782 1.520
103 1HA GLY 17 2HA GLY 17 -4.101 4.430 -1.304
104 2HA GLY 17 1HA GLY 17 -4.826 5.675 -0.298
105 H GLY 18 H GLY 18 -1.538 4.789 -1.300
106 1HA GLY 18 2HA GLY 18 -1.097 7.107 -2.856
107 2HA GLY 18 1HA GLY 18 -0.442 7.343 -1.239
108 H ALA 19 H ALA 19 1.697 7.415 -2.074
109 HA ALA 19 HA ALA 19 2.699 5.017 -3.373
110 1HB ALA 19 1HB ALA 19 4.699 6.260 -3.792
111 2HB ALA 19 2HB ALA 19 4.213 7.519 -2.658
112 3HB ALA 19 3HB ALA 19 3.326 7.301 -4.166
113 H ALA 20 H ALA 20 4.223 7.024 -0.934
114 HA ALA 20 HA ALA 20 5.346 4.716 0.366
115 1HB ALA 20 1HB ALA 20 6.327 6.494 1.916
116 2HB ALA 20 2HB ALA 20 5.632 7.666 0.796
117 3HB ALA 20 3HB ALA 20 6.839 6.515 0.228
118 H GLY 21 H GLY 21 2.623 6.636 0.706
119 1HA GLY 21 2HA GLY 21 0.890 6.701 2.209
120 2HA GLY 21 1HA GLY 21 1.396 5.082 2.665
121 H GLY 22 H GLY 22 1.376 5.063 4.819
122 1HA GLY 22 2HA GLY 22 2.415 7.371 6.289
123 2HA GLY 22 1HA GLY 22 1.497 6.034 6.970
Start of MODEL 8
1 1H GLY 1 H GLY 1 4.625 4.630 6.369
2 1HA GLY 1 2HA GLY 1 7.218 3.650 6.395
3 2HA GLY 1 1HA GLY 1 6.579 3.390 8.010
4 H CYS 2 H CYS 2 3.891 2.945 7.208
5 HA CYS 2 HA CYS 2 3.850 0.189 6.874
6 1HB CYS 2 2HB CYS 2 1.968 1.489 7.770
7 2HB CYS 2 1HB CYS 2 1.693 2.196 6.187
8 H CYS 3 H CYS 3 3.370 2.743 4.488
9 HA CYS 3 HA CYS 3 2.801 1.114 2.290
10 1HB CYS 3 2HB CYS 3 4.129 3.828 2.279
11 2HB CYS 3 1HB CYS 3 3.303 3.066 0.922
12 H SER 4 H SER 4 5.846 2.046 3.720
13 HA SER 4 HA SER 4 7.529 1.355 1.563
14 1HB SER 4 2HB SER 4 8.258 1.230 4.492
15 2HB SER 4 1HB SER 4 9.319 1.574 3.123
16 HG SER 4 HG SER 4 8.846 3.588 3.441
17 H ASN 5 H ASN 5 5.977 -0.481 4.085
18 HA ASN 5 HA ASN 5 7.521 -2.876 3.487
19 1HB ASN 5 2HB ASN 5 5.312 -2.304 5.468
20 2HB ASN 5 1HB ASN 5 5.966 -3.916 5.213
21 1HD2 ASN 5 1HD2 ASN 5 8.470 -1.851 4.720
22 2HD2 ASN 5 2HD2 ASN 5 9.138 -1.830 6.314
23 HA PRO 6 HA PRO 6 4.770 -4.026 0.182
24 1HB PRO 6 2HB PRO 6 5.803 -6.735 0.863
25 2HB PRO 6 1HB PRO 6 5.750 -5.908 -0.699
26 1HG PRO 6 2HG PRO 6 8.044 -6.147 0.630
27 2HG PRO 6 1HG PRO 6 7.652 -4.658 -0.252
28 1HD PRO 6 2HD PRO 6 7.564 -5.205 2.684
29 2HD PRO 6 1HD PRO 6 8.045 -3.727 1.825
30 H VAL 7 H VAL 7 4.949 -6.040 3.111
31 HA VAL 7 HA VAL 7 2.444 -7.303 2.774
32 HB VAL 7 HB VAL 7 3.658 -6.747 5.467
33 1HG1 VAL 7 1HG1 VAL 7 1.440 -7.860 5.280
34 2HG1 VAL 7 2HG1 VAL 7 2.665 -8.829 6.099
35 3HG1 VAL 7 3HG1 VAL 7 2.229 -9.188 4.430
36 1HG2 VAL 7 1HG2 VAL 7 4.483 -9.195 3.998
37 2HG2 VAL 7 2HG2 VAL 7 5.350 -8.257 5.213
38 3HG2 VAL 7 3HG2 VAL 7 5.259 -7.676 3.550
39 H CYS 8 H CYS 8 3.464 -4.603 4.824
40 HA CYS 8 HA CYS 8 0.958 -4.019 5.904
41 1HB CYS 8 2HB CYS 8 3.306 -3.165 6.587
42 2HB CYS 8 1HB CYS 8 3.023 -1.894 5.403
43 H HIS 9 H HIS 9 2.547 -2.762 2.982
44 HA HIS 9 HA HIS 9 0.578 -0.850 2.351
45 1HB HIS 9 2HB HIS 9 2.882 -1.051 1.311
46 2HB HIS 9 1HB HIS 9 2.233 -2.369 0.336
47 HD1 HIS 9 1HD HIS 9 -0.295 -1.394 -0.798
48 HD2 HIS 9 2HD HIS 9 2.908 1.187 -0.190
49 HE1 HIS 9 1HE HIS 9 -0.691 0.547 -2.344
50 HE2 HIS 9 2HE HIS 9 1.146 2.180 -1.804
51 H LEU 10 H LEU 10 0.955 -4.234 1.330
52 HA LEU 10 HA LEU 10 -1.333 -4.243 -0.349
53 1HB LEU 10 2HB LEU 10 0.506 -5.859 -0.561
54 2HB LEU 10 1HB LEU 10 0.078 -6.550 0.992
55 HG LEU 10 HG LEU 10 -2.120 -7.223 0.049
56 1HD1 LEU 10 1HD1 LEU 10 -2.281 -7.241 -2.458
57 2HD1 LEU 10 2HD1 LEU 10 -0.922 -6.117 -2.480
58 3HD1 LEU 10 3HD1 LEU 10 -2.437 -5.655 -1.704
59 1HD2 LEU 10 1HD2 LEU 10 0.419 -8.213 -1.216
60 2HD2 LEU 10 2HD2 LEU 10 -1.143 -8.975 -1.513
61 3HD2 LEU 10 3HD2 LEU 10 -0.489 -8.915 0.123
62 H GLU 11 H GLU 11 -0.806 -5.548 2.918
63 HA GLU 11 HA GLU 11 -3.422 -6.456 3.361
64 1HB GLU 11 2HB GLU 11 -1.503 -7.138 4.720
65 2HB GLU 11 1HB GLU 11 -1.337 -5.502 5.335
66 1HG GLU 11 2HG GLU 11 -3.560 -5.709 6.385
67 2HG GLU 11 1HG GLU 11 -3.629 -7.385 5.835
68 H HIS 12 H HIS 12 -1.896 -3.339 3.983
69 HA HIS 12 HA HIS 12 -4.511 -2.274 4.813
70 1HB HIS 12 2HB HIS 12 -1.794 -1.029 5.270
71 2HB HIS 12 1HB HIS 12 -3.325 -0.520 5.970
72 HD1 HIS 12 1HD HIS 12 -4.355 -2.085 7.815
73 HD2 HIS 12 2HD HIS 12 -0.522 -3.130 6.593
74 HE1 HIS 12 1HE HIS 12 -3.543 -3.751 9.503
75 HE2 HIS 12 2HE HIS 12 -1.394 -4.619 8.512
76 H SER 13 H SER 13 -4.270 -2.642 2.143
77 HA SER 13 HA SER 13 -3.141 -0.546 0.665
78 1HB SER 13 2HB SER 13 -5.519 -2.316 0.057
79 2HB SER 13 1HB SER 13 -4.808 -1.199 -1.108
80 HG SER 13 HG SER 13 -3.691 -3.527 0.039
81 H ASN 14 H ASN 14 -6.088 -0.788 2.466
82 HA ASN 14 HA ASN 14 -7.452 1.434 1.392
83 1HB ASN 14 2HB ASN 14 -8.536 1.389 3.791
84 2HB ASN 14 1HB ASN 14 -8.868 0.104 2.636
85 1HD2 ASN 14 1HD2 ASN 14 -8.993 -1.746 3.660
86 2HD2 ASN 14 2HD2 ASN 14 -7.938 -2.298 4.912
87 H LEU 15 H LEU 15 -5.111 1.103 4.022
88 HA LEU 15 HA LEU 15 -5.304 3.890 4.744
89 1HB LEU 15 2HB LEU 15 -3.282 1.789 5.541
90 2HB LEU 15 1HB LEU 15 -3.421 3.385 6.255
91 HG LEU 15 HG LEU 15 -5.524 1.220 6.393
92 1HD1 LEU 15 1HD1 LEU 15 -4.436 2.096 8.904
93 2HD1 LEU 15 2HD1 LEU 15 -3.155 1.503 7.847
94 3HD1 LEU 15 3HD1 LEU 15 -4.531 0.470 8.229
95 1HD2 LEU 15 1HD2 LEU 15 -5.796 3.994 6.651
96 2HD2 LEU 15 2HD2 LEU 15 -5.782 3.360 8.297
97 3HD2 LEU 15 3HD2 LEU 15 -6.955 2.752 7.128
98 H CYS 16 H CYS 16 -2.949 1.802 3.128
99 HA CYS 16 HA CYS 16 -1.293 4.069 2.429
100 1HB CYS 16 2HB CYS 16 -1.032 1.120 2.273
101 2HB CYS 16 1HB CYS 16 -0.121 2.070 1.104
102 H GLY 17 H GLY 17 -3.831 4.300 1.338
103 1HA GLY 17 2HA GLY 17 -3.962 3.386 -1.352
104 2HA GLY 17 1HA GLY 17 -4.906 4.701 -0.661
105 H GLY 18 H GLY 18 -2.978 6.455 0.115
106 1HA GLY 18 2HA GLY 18 -0.867 6.987 -1.577
107 2HA GLY 18 1HA GLY 18 -2.277 7.692 -2.352
108 H ALA 19 H ALA 19 -1.708 7.493 1.133
109 HA ALA 19 HA ALA 19 -0.762 10.169 1.391
110 1HB ALA 19 1HB ALA 19 -2.658 11.323 1.445
111 2HB ALA 19 2HB ALA 19 -3.212 10.343 2.804
112 3HB ALA 19 3HB ALA 19 -3.580 9.848 1.151
113 H ALA 20 H ALA 20 0.213 7.803 2.385
114 HA ALA 20 HA ALA 20 0.249 8.356 5.206
115 1HB ALA 20 1HB ALA 20 -0.362 5.956 5.798
116 2HB ALA 20 2HB ALA 20 -1.051 5.846 4.179
117 3HB ALA 20 3HB ALA 20 -1.687 7.021 5.329
118 H GLY 21 H GLY 21 2.227 8.469 3.272
119 1HA GLY 21 2HA GLY 21 3.801 6.072 3.225
120 2HA GLY 21 1HA GLY 21 4.301 7.659 2.666
121 H GLY 22 H GLY 22 3.257 6.573 5.885
122 1HA GLY 22 2HA GLY 22 5.488 7.943 7.106
123 2HA GLY 22 1HA GLY 22 4.224 7.050 7.940
Start of MODEL 9
1 1H GLY 1 H GLY 1 6.251 5.019 5.874
2 1HA GLY 1 2HA GLY 1 7.545 3.231 6.611
3 2HA GLY 1 1HA GLY 1 6.664 3.241 8.126
4 H CYS 2 H CYS 2 4.098 2.885 7.325
5 HA CYS 2 HA CYS 2 3.918 0.124 6.956
6 1HB CYS 2 2HB CYS 2 2.115 1.449 7.951
7 2HB CYS 2 1HB CYS 2 1.824 2.238 6.409
8 H CYS 3 H CYS 3 3.391 2.742 4.644
9 HA CYS 3 HA CYS 3 2.747 1.144 2.436
10 1HB CYS 3 2HB CYS 3 4.061 3.862 2.393
11 2HB CYS 3 1HB CYS 3 3.132 3.120 1.095
12 H SER 4 H SER 4 5.823 2.022 3.810
13 HA SER 4 HA SER 4 7.446 1.424 1.574
14 1HB SER 4 2HB SER 4 8.237 1.242 4.487
15 2HB SER 4 1HB SER 4 9.286 1.567 3.106
16 HG SER 4 HG SER 4 8.718 3.594 3.155
17 H ASN 5 H ASN 5 5.994 -0.484 4.094
18 HA ASN 5 HA ASN 5 7.518 -2.861 3.406
19 1HB ASN 5 2HB ASN 5 5.392 -2.270 5.462
20 2HB ASN 5 1HB ASN 5 5.944 -3.911 5.143
21 1HD2 ASN 5 1HD2 ASN 5 6.442 -1.174 6.965
22 2HD2 ASN 5 2HD2 ASN 5 8.018 -1.540 7.565
23 HA PRO 6 HA PRO 6 4.710 -3.993 0.156
24 1HB PRO 6 2HB PRO 6 5.355 -6.704 0.246
25 2HB PRO 6 1HB PRO 6 6.186 -5.477 -0.713
26 1HG PRO 6 2HG PRO 6 6.925 -6.636 1.935
27 2HG PRO 6 1HG PRO 6 7.969 -6.163 0.582
28 1HD PRO 6 2HD PRO 6 7.742 -4.634 2.770
29 2HD PRO 6 1HD PRO 6 7.898 -3.913 1.153
30 H VAL 7 H VAL 7 4.909 -6.006 3.082
31 HA VAL 7 HA VAL 7 2.398 -7.263 2.764
32 HB VAL 7 HB VAL 7 3.679 -6.710 5.432
33 1HG1 VAL 7 1HG1 VAL 7 2.661 -9.344 5.158
34 2HG1 VAL 7 2HG1 VAL 7 1.437 -8.217 4.568
35 3HG1 VAL 7 3HG1 VAL 7 2.086 -8.042 6.199
36 1HG2 VAL 7 1HG2 VAL 7 5.203 -8.460 5.181
37 2HG2 VAL 7 2HG2 VAL 7 5.290 -7.619 3.633
38 3HG2 VAL 7 3HG2 VAL 7 4.366 -9.116 3.774
39 H CYS 8 H CYS 8 3.434 -4.556 4.797
40 HA CYS 8 HA CYS 8 0.925 -3.958 5.880
41 1HB CYS 8 2HB CYS 8 3.316 -3.128 6.525
42 2HB CYS 8 1HB CYS 8 2.979 -1.825 5.391
43 H HIS 9 H HIS 9 2.549 -2.749 2.972
44 HA HIS 9 HA HIS 9 0.633 -0.799 2.278
45 1HB HIS 9 2HB HIS 9 2.963 -1.073 1.309
46 2HB HIS 9 1HB HIS 9 2.311 -2.394 0.341
47 HD1 HIS 9 1HD HIS 9 -0.120 -1.390 -0.935
48 HD2 HIS 9 2HD HIS 9 3.096 1.143 -0.213
49 HE1 HIS 9 1HE HIS 9 -0.392 0.520 -2.545
50 HE2 HIS 9 2HE HIS 9 1.445 2.137 -1.943
51 H LEU 10 H LEU 10 0.957 -4.210 1.359
52 HA LEU 10 HA LEU 10 -1.286 -4.205 -0.393
53 1HB LEU 10 2HB LEU 10 0.550 -5.828 -0.560
54 2HB LEU 10 1HB LEU 10 0.082 -6.516 0.984
55 HG LEU 10 HG LEU 10 -2.096 -7.181 -0.009
56 1HD1 LEU 10 1HD1 LEU 10 -0.941 -5.759 -2.336
57 2HD1 LEU 10 2HD1 LEU 10 -2.615 -5.891 -1.801
58 3HD1 LEU 10 3HD1 LEU 10 -1.855 -7.233 -2.657
59 1HD2 LEU 10 1HD2 LEU 10 -0.474 -8.557 -1.898
60 2HD2 LEU 10 2HD2 LEU 10 -1.092 -9.128 -0.349
61 3HD2 LEU 10 3HD2 LEU 10 0.467 -8.307 -0.428
62 H GLU 11 H GLU 11 -0.846 -5.518 2.892
63 HA GLU 11 HA GLU 11 -3.487 -6.398 3.257
64 1HB GLU 11 2HB GLU 11 -1.660 -7.139 4.682
65 2HB GLU 11 1HB GLU 11 -1.420 -5.503 5.273
66 1HG GLU 11 2HG GLU 11 -3.909 -5.736 6.036
67 2HG GLU 11 1HG GLU 11 -3.563 -7.461 5.923
68 H HIS 12 H HIS 12 -1.901 -3.399 4.294
69 HA HIS 12 HA HIS 12 -4.505 -2.266 4.994
70 1HB HIS 12 2HB HIS 12 -1.781 -1.011 5.370
71 2HB HIS 12 1HB HIS 12 -3.291 -0.522 6.122
72 HD1 HIS 12 1HD HIS 12 -4.237 -2.116 8.007
73 HD2 HIS 12 2HD HIS 12 -0.422 -3.072 6.664
74 HE1 HIS 12 1HE HIS 12 -3.321 -3.738 9.684
75 HE2 HIS 12 2HE HIS 12 -1.186 -4.554 8.633
76 H SER 13 H SER 13 -4.299 -2.704 2.355
77 HA SER 13 HA SER 13 -3.178 -0.723 0.754
78 1HB SER 13 2HB SER 13 -5.319 -1.452 -0.709
79 2HB SER 13 1HB SER 13 -3.890 -2.470 -0.532
80 HG SER 13 HG SER 13 -5.010 -3.844 0.605
81 H ASN 14 H ASN 14 -6.191 -0.800 2.519
82 HA ASN 14 HA ASN 14 -7.435 1.439 1.353
83 1HB ASN 14 2HB ASN 14 -8.616 -0.193 2.788
84 2HB ASN 14 1HB ASN 14 -7.710 0.388 4.182
85 1HD2 ASN 14 1HD2 ASN 14 -8.761 1.774 5.403
86 2HD2 ASN 14 2HD2 ASN 14 -9.999 2.858 4.885
87 H LEU 15 H LEU 15 -5.041 1.118 3.914
88 HA LEU 15 HA LEU 15 -5.198 3.929 4.601
89 1HB LEU 15 2HB LEU 15 -3.376 1.710 5.527
90 2HB LEU 15 1HB LEU 15 -3.220 3.367 6.071
91 HG LEU 15 HG LEU 15 -4.368 2.236 7.784
92 1HD1 LEU 15 1HD1 LEU 15 -5.316 4.418 7.204
93 2HD1 LEU 15 2HD1 LEU 15 -6.525 3.324 7.876
94 3HD1 LEU 15 3HD1 LEU 15 -6.475 3.622 6.140
95 1HD2 LEU 15 1HD2 LEU 15 -6.743 1.231 6.718
96 2HD2 LEU 15 2HD2 LEU 15 -5.376 0.310 7.345
97 3HD2 LEU 15 3HD2 LEU 15 -5.471 0.685 5.624
98 H CYS 16 H CYS 16 -2.972 1.737 2.974
99 HA CYS 16 HA CYS 16 -1.295 3.993 2.194
100 1HB CYS 16 2HB CYS 16 -0.895 1.030 2.254
101 2HB CYS 16 1HB CYS 16 0.104 2.022 1.196
102 H GLY 17 H GLY 17 -3.635 4.225 0.987
103 1HA GLY 17 2HA GLY 17 -3.785 2.898 -1.552
104 2HA GLY 17 1HA GLY 17 -4.745 4.277 -1.039
105 H GLY 18 H GLY 18 -1.252 3.825 -1.434
106 1HA GLY 18 2HA GLY 18 -0.812 5.102 -3.816
107 2HA GLY 18 1HA GLY 18 -0.923 6.399 -2.632
108 H ALA 19 H ALA 19 1.115 7.074 -2.367
109 HA ALA 19 HA ALA 19 3.020 5.209 -1.206
110 1HB ALA 19 1HB ALA 19 3.178 5.941 -3.937
111 2HB ALA 19 2HB ALA 19 4.334 5.007 -2.987
112 3HB ALA 19 3HB ALA 19 4.491 6.760 -3.091
113 H ALA 20 H ALA 20 1.662 7.168 0.095
114 HA ALA 20 HA ALA 20 3.820 8.978 0.850
115 1HB ALA 20 1HB ALA 20 1.626 10.642 1.010
116 2HB ALA 20 2HB ALA 20 1.387 9.807 -0.524
117 3HB ALA 20 3HB ALA 20 2.879 10.700 -0.229
118 H GLY 21 H GLY 21 3.111 6.786 2.218
119 1HA GLY 21 2HA GLY 21 1.231 7.578 4.311
120 2HA GLY 21 1HA GLY 21 1.897 5.970 4.076
121 H GLY 22 H GLY 22 3.073 5.418 5.777
122 1HA GLY 22 2HA GLY 22 5.302 7.038 6.587
123 2HA GLY 22 1HA GLY 22 4.027 6.954 7.794
Start of MODEL 10
1 1H GLY 1 H GLY 1 4.663 5.990 4.685
2 1HA GLY 1 2HA GLY 1 6.721 5.203 5.366
3 2HA GLY 1 1HA GLY 1 6.182 5.328 7.026
4 H CYS 2 H CYS 2 4.147 3.620 7.207
5 HA CYS 2 HA CYS 2 5.395 1.093 7.371
6 1HB CYS 2 2HB CYS 2 3.430 1.838 8.734
7 2HB CYS 2 1HB CYS 2 2.424 1.670 7.306
8 H CYS 3 H CYS 3 3.378 2.583 5.003
9 HA CYS 3 HA CYS 3 2.748 0.377 3.426
10 1HB CYS 3 2HB CYS 3 3.040 3.274 2.663
11 2HB CYS 3 1HB CYS 3 2.232 2.038 1.693
12 H SER 4 H SER 4 5.787 1.821 3.875
13 HA SER 4 HA SER 4 6.888 1.380 1.292
14 1HB SER 4 2HB SER 4 8.281 1.452 3.987
15 2HB SER 4 1HB SER 4 9.067 1.594 2.414
16 HG SER 4 HG SER 4 8.647 3.638 2.516
17 H ASN 5 H ASN 5 6.030 -0.590 3.957
18 HA ASN 5 HA ASN 5 7.635 -2.872 3.112
19 1HB ASN 5 2HB ASN 5 5.533 -2.581 5.276
20 2HB ASN 5 1HB ASN 5 6.470 -4.043 4.980
21 1HD2 ASN 5 1HD2 ASN 5 6.271 -1.326 6.818
22 2HD2 ASN 5 2HD2 ASN 5 7.908 -1.232 7.360
23 HA PRO 6 HA PRO 6 4.671 -4.217 0.090
24 1HB PRO 6 2HB PRO 6 5.696 -6.896 0.905
25 2HB PRO 6 1HB PRO 6 5.533 -6.195 -0.711
26 1HG PRO 6 2HG PRO 6 7.918 -6.360 0.453
27 2HG PRO 6 1HG PRO 6 7.471 -4.934 -0.501
28 1HD PRO 6 2HD PRO 6 7.626 -5.262 2.461
29 2HD PRO 6 1HD PRO 6 8.013 -3.848 1.458
30 H VAL 7 H VAL 7 4.924 -6.040 3.140
31 HA VAL 7 HA VAL 7 2.404 -7.287 2.982
32 HB VAL 7 HB VAL 7 3.738 -6.509 5.566
33 1HG1 VAL 7 1HG1 VAL 7 1.469 -7.513 5.625
34 2HG1 VAL 7 2HG1 VAL 7 2.694 -8.475 6.453
35 3HG1 VAL 7 3HG1 VAL 7 2.129 -8.955 4.853
36 1HG2 VAL 7 1HG2 VAL 7 5.508 -7.785 5.135
37 2HG2 VAL 7 2HG2 VAL 7 4.919 -8.019 3.489
38 3HG2 VAL 7 3HG2 VAL 7 4.462 -9.155 4.760
39 H CYS 8 H CYS 8 3.471 -4.424 4.764
40 HA CYS 8 HA CYS 8 0.976 -3.725 5.816
41 1HB CYS 8 2HB CYS 8 3.235 -2.842 6.530
42 2HB CYS 8 1HB CYS 8 3.182 -1.784 5.125
43 H HIS 9 H HIS 9 2.574 -2.738 2.810
44 HA HIS 9 HA HIS 9 0.664 -0.825 2.024
45 1HB HIS 9 2HB HIS 9 2.999 -1.289 1.034
46 2HB HIS 9 1HB HIS 9 2.187 -2.518 0.064
47 HD1 HIS 9 1HD HIS 9 -0.279 -1.184 -0.934
48 HD2 HIS 9 2HD HIS 9 3.315 0.873 -0.552
49 HE1 HIS 9 1HE HIS 9 -0.458 0.783 -2.491
50 HE2 HIS 9 2HE HIS 9 1.663 2.093 -2.127
51 H LEU 10 H LEU 10 0.910 -4.287 1.261
52 HA LEU 10 HA LEU 10 -1.408 -4.268 -0.408
53 1HB LEU 10 2HB LEU 10 0.423 -6.342 0.667
54 2HB LEU 10 1HB LEU 10 -1.164 -6.868 0.141
55 HG LEU 10 HG LEU 10 -0.731 -5.938 -2.098
56 1HD1 LEU 10 1HD1 LEU 10 1.373 -5.062 -2.747
57 2HD1 LEU 10 2HD1 LEU 10 2.093 -5.454 -1.185
58 3HD1 LEU 10 3HD1 LEU 10 0.878 -4.182 -1.301
59 1HD2 LEU 10 1HD2 LEU 10 1.261 -7.902 -0.994
60 2HD2 LEU 10 2HD2 LEU 10 1.104 -7.548 -2.715
61 3HD2 LEU 10 3HD2 LEU 10 -0.256 -8.239 -1.829
62 H GLU 11 H GLU 11 -0.817 -5.479 2.888
63 HA GLU 11 HA GLU 11 -3.422 -6.404 3.382
64 1HB GLU 11 2HB GLU 11 -1.526 -7.037 4.773
65 2HB GLU 11 1HB GLU 11 -1.319 -5.372 5.294
66 1HG GLU 11 2HG GLU 11 -3.770 -5.642 6.148
67 2HG GLU 11 1HG GLU 11 -3.388 -7.362 6.078
68 H HIS 12 H HIS 12 -1.883 -3.322 4.259
69 HA HIS 12 HA HIS 12 -4.512 -2.229 4.961
70 1HB HIS 12 2HB HIS 12 -1.823 -0.885 5.279
71 2HB HIS 12 1HB HIS 12 -3.339 -0.440 6.046
72 HD1 HIS 12 1HD HIS 12 -4.204 -2.059 7.960
73 HD2 HIS 12 2HD HIS 12 -0.345 -2.817 6.621
74 HE1 HIS 12 1HE HIS 12 -3.185 -3.575 9.677
75 HE2 HIS 12 2HE HIS 12 -1.009 -4.290 8.636
76 H SER 13 H SER 13 -4.187 -2.744 2.294
77 HA SER 13 HA SER 13 -3.133 -0.768 0.673
78 1HB SER 13 2HB SER 13 -5.194 -1.543 -0.830
79 2HB SER 13 1HB SER 13 -3.811 -2.598 -0.533
80 HG SER 13 HG SER 13 -5.050 -3.893 0.564
81 H ASN 14 H ASN 14 -6.242 -0.879 2.300
82 HA ASN 14 HA ASN 14 -7.400 1.378 1.074
83 1HB ASN 14 2HB ASN 14 -7.916 0.093 3.760
84 2HB ASN 14 1HB ASN 14 -8.892 1.403 3.104
85 1HD2 ASN 14 1HD2 ASN 14 -8.787 -1.825 3.482
86 2HD2 ASN 14 2HD2 ASN 14 -9.765 -2.317 2.150
87 H LEU 15 H LEU 15 -5.210 1.040 3.800
88 HA LEU 15 HA LEU 15 -5.486 3.840 4.528
89 1HB LEU 15 2HB LEU 15 -3.606 1.722 5.577
90 2HB LEU 15 1HB LEU 15 -3.827 3.321 6.261
91 HG LEU 15 HG LEU 15 -5.948 1.175 6.138
92 1HD1 LEU 15 1HD1 LEU 15 -4.143 0.623 7.691
93 2HD1 LEU 15 2HD1 LEU 15 -5.635 1.013 8.547
94 3HD1 LEU 15 3HD1 LEU 15 -4.329 2.196 8.468
95 1HD2 LEU 15 1HD2 LEU 15 -6.450 3.257 8.027
96 2HD2 LEU 15 2HD2 LEU 15 -7.426 2.750 6.648
97 3HD2 LEU 15 3HD2 LEU 15 -6.171 3.971 6.438
98 H CYS 16 H CYS 16 -3.390 1.768 2.737
99 HA CYS 16 HA CYS 16 -1.214 3.620 2.565
100 1HB CYS 16 2HB CYS 16 -1.804 0.956 1.310
101 2HB CYS 16 1HB CYS 16 -0.391 1.906 0.852
102 H GLY 17 H GLY 17 -3.528 4.849 1.708
103 1HA GLY 17 2HA GLY 17 -3.415 4.908 -1.211
104 2HA GLY 17 1HA GLY 17 -4.560 5.778 -0.194
105 H GLY 18 H GLY 18 -4.186 7.750 -1.240
106 1HA GLY 18 2HA GLY 18 -3.190 9.797 -1.513
107 2HA GLY 18 1HA GLY 18 -2.223 9.392 -0.101
108 H ALA 19 H ALA 19 -0.178 9.825 -0.588
109 HA ALA 19 HA ALA 19 0.848 9.486 -3.256
110 1HB ALA 19 1HB ALA 19 2.693 10.682 -2.581
111 2HB ALA 19 2HB ALA 19 2.600 10.089 -0.922
112 3HB ALA 19 3HB ALA 19 1.458 11.306 -1.489
113 H ALA 20 H ALA 20 1.470 8.065 -0.084
114 HA ALA 20 HA ALA 20 1.988 5.485 -1.164
115 1HB ALA 20 1HB ALA 20 4.150 5.771 -1.679
116 2HB ALA 20 2HB ALA 20 4.432 5.755 0.061
117 3HB ALA 20 3HB ALA 20 4.253 7.290 -0.790
118 H GLY 21 H GLY 21 0.240 6.457 0.771
119 1HA GLY 21 2HA GLY 21 -0.554 5.843 2.835
120 2HA GLY 21 1HA GLY 21 0.741 4.659 2.898
121 H GLY 22 H GLY 22 1.751 4.889 4.794
122 1HA GLY 22 2HA GLY 22 2.832 7.525 5.450
123 2HA GLY 22 1HA GLY 22 1.783 6.769 6.635
Start of MODEL 11
1 1H GLY 1 H GLY 1 5.572 5.844 5.485
2 1HA GLY 1 2HA GLY 1 7.494 4.595 5.856
3 2HA GLY 1 1HA GLY 1 7.105 4.549 7.564
4 H CYS 2 H CYS 2 4.669 3.341 7.571
5 HA CYS 2 HA CYS 2 5.306 0.622 7.399
6 1HB CYS 2 2HB CYS 2 3.457 1.762 8.760
7 2HB CYS 2 1HB CYS 2 2.492 1.706 7.291
8 H CYS 3 H CYS 3 3.606 2.743 5.170
9 HA CYS 3 HA CYS 3 2.663 0.867 3.345
10 1HB CYS 3 2HB CYS 3 3.557 3.707 2.848
11 2HB CYS 3 1HB CYS 3 2.577 2.741 1.748
12 H SER 4 H SER 4 5.900 1.975 3.855
13 HA SER 4 HA SER 4 6.935 1.395 1.280
14 1HB SER 4 2HB SER 4 8.407 1.403 3.927
15 2HB SER 4 1HB SER 4 9.116 1.594 2.322
16 HG SER 4 HG SER 4 8.693 3.636 2.471
17 H ASN 5 H ASN 5 5.947 -0.549 3.912
18 HA ASN 5 HA ASN 5 7.547 -2.848 3.116
19 1HB ASN 5 2HB ASN 5 5.456 -2.473 5.271
20 2HB ASN 5 1HB ASN 5 6.253 -4.006 4.948
21 1HD2 ASN 5 1HD2 ASN 5 8.510 -1.719 4.319
22 2HD2 ASN 5 2HD2 ASN 5 9.273 -1.634 5.866
23 HA PRO 6 HA PRO 6 4.622 -4.182 0.059
24 1HB PRO 6 2HB PRO 6 5.659 -6.866 0.828
25 2HB PRO 6 1HB PRO 6 5.529 -6.125 -0.770
26 1HG PRO 6 2HG PRO 6 7.888 -6.316 0.445
27 2HG PRO 6 1HG PRO 6 7.461 -4.869 -0.488
28 1HD PRO 6 2HD PRO 6 7.531 -5.264 2.471
29 2HD PRO 6 1HD PRO 6 7.967 -3.835 1.511
30 H VAL 7 H VAL 7 4.892 -5.999 3.104
31 HA VAL 7 HA VAL 7 2.384 -7.284 2.932
32 HB VAL 7 HB VAL 7 3.728 -6.532 5.520
33 1HG1 VAL 7 1HG1 VAL 7 1.706 -8.528 4.657
34 2HG1 VAL 7 2HG1 VAL 7 1.788 -7.557 6.126
35 3HG1 VAL 7 3HG1 VAL 7 2.818 -8.978 5.951
36 1HG2 VAL 7 1HG2 VAL 7 5.524 -7.738 5.009
37 2HG2 VAL 7 2HG2 VAL 7 4.870 -8.057 3.402
38 3HG2 VAL 7 3HG2 VAL 7 4.498 -9.147 4.737
39 H CYS 8 H CYS 8 3.438 -4.439 4.766
40 HA CYS 8 HA CYS 8 0.936 -3.787 5.829
41 1HB CYS 8 2HB CYS 8 3.079 -2.870 6.661
42 2HB CYS 8 1HB CYS 8 3.211 -1.898 5.198
43 H HIS 9 H HIS 9 2.519 -2.724 2.838
44 HA HIS 9 HA HIS 9 0.560 -0.839 2.096
45 1HB HIS 9 2HB HIS 9 2.885 -1.170 1.083
46 2HB HIS 9 1HB HIS 9 2.161 -2.474 0.141
47 HD1 HIS 9 1HD HIS 9 -0.299 -1.429 -1.023
48 HD2 HIS 9 2HD HIS 9 2.971 1.067 -0.415
49 HE1 HIS 9 1HE HIS 9 -0.634 0.514 -2.584
50 HE2 HIS 9 2HE HIS 9 1.263 2.089 -2.068
51 H LEU 10 H LEU 10 0.904 -4.282 1.317
52 HA LEU 10 HA LEU 10 -1.376 -4.374 -0.381
53 1HB LEU 10 2HB LEU 10 0.459 -6.002 -0.502
54 2HB LEU 10 1HB LEU 10 0.027 -6.608 1.085
55 HG LEU 10 HG LEU 10 -2.169 -7.327 0.175
56 1HD1 LEU 10 1HD1 LEU 10 -2.630 -5.992 -1.654
57 2HD1 LEU 10 2HD1 LEU 10 -2.150 -7.513 -2.409
58 3HD1 LEU 10 3HD1 LEU 10 -1.009 -6.171 -2.325
59 1HD2 LEU 10 1HD2 LEU 10 -0.609 -9.048 0.323
60 2HD2 LEU 10 2HD2 LEU 10 0.392 -8.380 -0.966
61 3HD2 LEU 10 3HD2 LEU 10 -1.157 -9.130 -1.352
62 H GLU 11 H GLU 11 -0.862 -5.541 2.948
63 HA GLU 11 HA GLU 11 -3.489 -6.395 3.424
64 1HB GLU 11 2HB GLU 11 -1.630 -7.057 4.843
65 2HB GLU 11 1HB GLU 11 -1.376 -5.391 5.338
66 1HG GLU 11 2HG GLU 11 -3.845 -5.580 6.174
67 2HG GLU 11 1HG GLU 11 -3.500 -7.310 6.149
68 H HIS 12 H HIS 12 -1.894 -3.340 4.270
69 HA HIS 12 HA HIS 12 -4.494 -2.180 4.953
70 1HB HIS 12 2HB HIS 12 -1.772 -0.899 5.245
71 2HB HIS 12 1HB HIS 12 -3.275 -0.389 5.994
72 HD1 HIS 12 1HD HIS 12 -4.189 -1.927 7.953
73 HD2 HIS 12 2HD HIS 12 -0.360 -2.848 6.631
74 HE1 HIS 12 1HE HIS 12 -3.220 -3.434 9.705
75 HE2 HIS 12 2HE HIS 12 -1.069 -4.247 8.682
76 H SER 13 H SER 13 -4.189 -2.742 2.276
77 HA SER 13 HA SER 13 -3.099 -0.730 0.683
78 1HB SER 13 2HB SER 13 -3.945 -2.968 -0.111
79 2HB SER 13 1HB SER 13 -5.583 -2.329 0.024
80 HG SER 13 HG SER 13 -5.005 -0.727 -1.499
81 H ASN 14 H ASN 14 -6.158 -0.913 2.360
82 HA ASN 14 HA ASN 14 -7.421 1.281 1.108
83 1HB ASN 14 2HB ASN 14 -7.836 0.067 3.849
84 2HB ASN 14 1HB ASN 14 -8.875 1.306 3.152
85 1HD2 ASN 14 1HD2 ASN 14 -8.763 -1.845 3.748
86 2HD2 ASN 14 2HD2 ASN 14 -9.696 -2.454 2.429
87 H LEU 15 H LEU 15 -5.158 1.018 3.781
88 HA LEU 15 HA LEU 15 -5.464 3.787 4.539
89 1HB LEU 15 2HB LEU 15 -3.520 1.640 5.387
90 2HB LEU 15 1HB LEU 15 -3.434 3.286 5.978
91 HG LEU 15 HG LEU 15 -5.811 2.955 6.839
92 1HD1 LEU 15 1HD1 LEU 15 -5.411 0.412 5.564
93 2HD1 LEU 15 2HD1 LEU 15 -6.871 1.087 6.290
94 3HD1 LEU 15 3HD1 LEU 15 -5.720 0.197 7.288
95 1HD2 LEU 15 1HD2 LEU 15 -4.439 1.058 8.460
96 2HD2 LEU 15 2HD2 LEU 15 -4.752 2.765 8.772
97 3HD2 LEU 15 3HD2 LEU 15 -3.290 2.279 7.913
98 H CYS 16 H CYS 16 -3.041 1.784 2.936
99 HA CYS 16 HA CYS 16 -1.410 4.081 2.269
100 1HB CYS 16 2HB CYS 16 -1.146 1.148 1.588
101 2HB CYS 16 1HB CYS 16 0.040 2.380 1.170
102 H GLY 17 H GLY 17 -4.045 4.135 1.187
103 1HA GLY 17 2HA GLY 17 -3.719 3.505 -1.650
104 2HA GLY 17 1HA GLY 17 -5.202 4.027 -0.864
105 H GLY 18 H GLY 18 -1.983 5.511 -0.775
106 1HA GLY 18 2HA GLY 18 -2.302 7.469 -2.684
107 2HA GLY 18 1HA GLY 18 -3.072 8.104 -1.237
108 H ALA 19 H ALA 19 -1.687 9.671 -0.660
109 HA ALA 19 HA ALA 19 1.173 9.116 -0.523
110 1HB ALA 19 1HB ALA 19 1.122 11.208 -1.352
111 2HB ALA 19 2HB ALA 19 0.920 11.678 0.334
112 3HB ALA 19 3HB ALA 19 -0.490 11.530 -0.714
113 H ALA 20 H ALA 20 -0.730 7.872 1.276
114 HA ALA 20 HA ALA 20 -0.205 9.097 3.866
115 1HB ALA 20 1HB ALA 20 -1.545 6.510 3.898
116 2HB ALA 20 2HB ALA 20 -2.361 7.696 2.878
117 3HB ALA 20 3HB ALA 20 -2.054 8.055 4.578
118 H GLY 21 H GLY 21 1.925 8.057 2.272
119 1HA GLY 21 2HA GLY 21 2.800 5.514 3.186
120 2HA GLY 21 1HA GLY 21 3.791 6.720 2.382
121 H GLY 22 H GLY 22 2.288 6.054 5.528
122 1HA GLY 22 2HA GLY 22 4.178 7.684 6.957
123 2HA GLY 22 1HA GLY 22 2.929 6.669 7.661
Start of MODEL 12
1 1H GLY 1 H GLY 1 6.392 5.047 6.071
2 1HA GLY 1 2HA GLY 1 7.486 3.121 6.689
3 2HA GLY 1 1HA GLY 1 6.536 3.104 8.161
4 H CYS 2 H CYS 2 3.996 2.884 7.177
5 HA CYS 2 HA CYS 2 3.734 0.138 6.754
6 1HB CYS 2 2HB CYS 2 1.973 1.632 7.684
7 2HB CYS 2 1HB CYS 2 1.711 2.279 6.071
8 H CYS 3 H CYS 3 3.391 2.807 4.424
9 HA CYS 3 HA CYS 3 2.792 1.184 2.209
10 1HB CYS 3 2HB CYS 3 4.109 3.903 2.221
11 2HB CYS 3 1HB CYS 3 3.322 3.139 0.843
12 H SER 4 H SER 4 5.818 2.039 3.687
13 HA SER 4 HA SER 4 7.509 1.345 1.517
14 1HB SER 4 2HB SER 4 8.193 1.313 4.463
15 2HB SER 4 1HB SER 4 9.302 1.530 3.107
16 HG SER 4 HG SER 4 8.539 3.541 2.777
17 H ASN 5 H ASN 5 5.961 -0.436 4.073
18 HA ASN 5 HA ASN 5 7.499 -2.847 3.562
19 1HB ASN 5 2HB ASN 5 5.324 -2.124 5.513
20 2HB ASN 5 1HB ASN 5 5.823 -3.794 5.281
21 1HD2 ASN 5 1HD2 ASN 5 6.410 -0.954 6.948
22 2HD2 ASN 5 2HD2 ASN 5 7.941 -1.375 7.628
23 HA PRO 6 HA PRO 6 4.794 -4.178 0.295
24 1HB PRO 6 2HB PRO 6 5.798 -6.852 1.122
25 2HB PRO 6 1HB PRO 6 5.792 -6.094 -0.474
26 1HG PRO 6 2HG PRO 6 8.048 -6.298 0.930
27 2HG PRO 6 1HG PRO 6 7.700 -4.852 -0.037
28 1HD PRO 6 2HD PRO 6 7.522 -5.247 2.920
29 2HD PRO 6 1HD PRO 6 8.050 -3.822 2.000
30 H VAL 7 H VAL 7 4.941 -6.082 3.304
31 HA VAL 7 HA VAL 7 2.440 -7.349 3.016
32 HB VAL 7 HB VAL 7 3.576 -6.636 5.702
33 1HG1 VAL 7 1HG1 VAL 7 2.473 -9.299 4.950
34 2HG1 VAL 7 2HG1 VAL 7 1.368 -7.946 5.193
35 3HG1 VAL 7 3HG1 VAL 7 2.438 -8.454 6.499
36 1HG2 VAL 7 1HG2 VAL 7 5.147 -8.426 5.615
37 2HG2 VAL 7 2HG2 VAL 7 5.416 -7.438 4.181
38 3HG2 VAL 7 3HG2 VAL 7 4.546 -8.965 4.048
39 H CYS 8 H CYS 8 3.429 -4.497 4.852
40 HA CYS 8 HA CYS 8 0.893 -3.880 5.880
41 1HB CYS 8 2HB CYS 8 3.283 -2.973 6.494
42 2HB CYS 8 1HB CYS 8 2.892 -1.725 5.313
43 H HIS 9 H HIS 9 2.561 -2.809 2.940
44 HA HIS 9 HA HIS 9 0.637 -0.914 2.145
45 1HB HIS 9 2HB HIS 9 2.984 -1.233 1.205
46 2HB HIS 9 1HB HIS 9 2.313 -2.548 0.246
47 HD1 HIS 9 1HD HIS 9 -0.266 -1.361 -0.800
48 HD2 HIS 9 2HD HIS 9 3.275 0.809 -0.543
49 HE1 HIS 9 1HE HIS 9 -0.489 0.501 -2.476
50 HE2 HIS 9 2HE HIS 9 1.710 1.721 -2.390
51 H LEU 10 H LEU 10 0.999 -4.353 1.262
52 HA LEU 10 HA LEU 10 -1.223 -4.387 -0.491
53 1HB LEU 10 2HB LEU 10 0.137 -6.635 0.989
54 2HB LEU 10 1HB LEU 10 -1.084 -6.868 -0.248
55 HG LEU 10 HG LEU 10 1.611 -5.572 -0.669
56 1HD1 LEU 10 1HD1 LEU 10 0.748 -8.321 -0.669
57 2HD1 LEU 10 2HD1 LEU 10 2.370 -7.650 -0.842
58 3HD1 LEU 10 3HD1 LEU 10 1.340 -7.842 -2.261
59 1HD2 LEU 10 1HD2 LEU 10 0.246 -4.566 -2.250
60 2HD2 LEU 10 2HD2 LEU 10 -0.757 -6.004 -2.447
61 3HD2 LEU 10 3HD2 LEU 10 0.874 -5.967 -3.118
62 H GLU 11 H GLU 11 -0.894 -5.634 2.822
63 HA GLU 11 HA GLU 11 -3.585 -6.360 3.148
64 1HB GLU 11 2HB GLU 11 -2.282 -7.360 4.726
65 2HB GLU 11 1HB GLU 11 -1.203 -5.987 4.864
66 1HG GLU 11 2HG GLU 11 -2.374 -6.458 6.943
67 2HG GLU 11 1HG GLU 11 -2.757 -4.860 6.319
68 H HIS 12 H HIS 12 -1.865 -3.418 4.169
69 HA HIS 12 HA HIS 12 -4.445 -2.211 4.798
70 1HB HIS 12 2HB HIS 12 -1.681 -1.103 5.295
71 2HB HIS 12 1HB HIS 12 -3.196 -0.467 5.922
72 HD1 HIS 12 1HD HIS 12 -4.556 -2.300 7.482
73 HD2 HIS 12 2HD HIS 12 -0.464 -2.885 6.979
74 HE1 HIS 12 1HE HIS 12 -3.858 -3.809 9.360
75 HE2 HIS 12 2HE HIS 12 -1.435 -4.314 8.902
76 H SER 13 H SER 13 -4.246 -2.590 2.140
77 HA SER 13 HA SER 13 -3.100 -0.453 0.683
78 1HB SER 13 2HB SER 13 -5.444 -2.262 0.037
79 2HB SER 13 1HB SER 13 -4.766 -1.098 -1.102
80 HG SER 13 HG SER 13 -3.583 -3.427 -0.019
81 H ASN 14 H ASN 14 -5.955 -0.835 2.541
82 HA ASN 14 HA ASN 14 -7.477 1.339 1.592
83 1HB ASN 14 2HB ASN 14 -8.448 1.167 4.025
84 2HB ASN 14 1HB ASN 14 -8.732 -0.133 2.874
85 1HD2 ASN 14 1HD2 ASN 14 -8.533 -2.055 3.747
86 2HD2 ASN 14 2HD2 ASN 14 -7.421 -2.511 4.989
87 H LEU 15 H LEU 15 -5.007 1.049 4.113
88 HA LEU 15 HA LEU 15 -5.272 3.813 4.897
89 1HB LEU 15 2HB LEU 15 -3.161 1.764 5.585
90 2HB LEU 15 1HB LEU 15 -3.308 3.348 6.322
91 HG LEU 15 HG LEU 15 -5.349 1.130 6.521
92 1HD1 LEU 15 1HD1 LEU 15 -3.856 0.350 8.010
93 2HD1 LEU 15 2HD1 LEU 15 -4.514 1.620 9.041
94 3HD1 LEU 15 3HD1 LEU 15 -3.020 1.897 8.146
95 1HD2 LEU 15 1HD2 LEU 15 -5.815 3.013 8.499
96 2HD2 LEU 15 2HD2 LEU 15 -6.767 2.769 7.034
97 3HD2 LEU 15 3HD2 LEU 15 -5.480 3.974 7.059
98 H CYS 16 H CYS 16 -2.942 1.837 3.118
99 HA CYS 16 HA CYS 16 -1.354 4.156 2.434
100 1HB CYS 16 2HB CYS 16 -1.086 1.217 2.086
101 2HB CYS 16 1HB CYS 16 -0.218 2.255 0.958
102 H GLY 17 H GLY 17 -3.982 4.360 1.500
103 1HA GLY 17 2HA GLY 17 -4.213 3.616 -1.240
104 2HA GLY 17 1HA GLY 17 -5.189 4.821 -0.406
105 H GLY 18 H GLY 18 -3.090 6.498 0.438
106 1HA GLY 18 2HA GLY 18 -1.561 7.289 -1.880
107 2HA GLY 18 1HA GLY 18 -2.879 8.382 -1.484
108 H ALA 19 H ALA 19 -1.038 6.581 0.886
109 HA ALA 19 HA ALA 19 -0.366 9.003 2.281
110 1HB ALA 19 1HB ALA 19 -0.242 6.115 2.837
111 2HB ALA 19 2HB ALA 19 -0.703 7.454 3.887
112 3HB ALA 19 3HB ALA 19 1.003 7.092 3.616
113 H ALA 20 H ALA 20 1.274 6.603 0.365
114 HA ALA 20 HA ALA 20 3.297 6.478 -0.638
115 1HB ALA 20 1HB ALA 20 3.418 9.467 -0.298
116 2HB ALA 20 2HB ALA 20 2.513 8.648 -1.570
117 3HB ALA 20 3HB ALA 20 4.267 8.487 -1.493
118 H GLY 21 H GLY 21 3.182 6.237 2.273
119 1HA GLY 21 2HA GLY 21 5.838 5.879 2.865
120 2HA GLY 21 1HA GLY 21 5.495 7.532 3.353
121 H GLY 22 H GLY 22 5.460 7.489 5.492
122 1HA GLY 22 2HA GLY 22 4.736 7.071 7.622
123 2HA GLY 22 1HA GLY 22 3.303 6.360 6.901
Start of MODEL 13
1 1H GLY 1 H GLY 1 5.699 5.362 6.183
2 1HA GLY 1 2HA GLY 1 7.181 3.638 6.593
3 2HA GLY 1 1HA GLY 1 6.431 3.413 8.161
4 H CYS 2 H CYS 2 3.799 2.952 7.266
5 HA CYS 2 HA CYS 2 3.757 0.204 6.925
6 1HB CYS 2 2HB CYS 2 1.852 1.538 7.730
7 2HB CYS 2 1HB CYS 2 1.635 2.205 6.122
8 H CYS 3 H CYS 3 3.325 2.726 4.472
9 HA CYS 3 HA CYS 3 2.891 0.999 2.306
10 1HB CYS 3 2HB CYS 3 4.033 3.791 2.304
11 2HB CYS 3 1HB CYS 3 3.431 2.938 0.885
12 H SER 4 H SER 4 5.836 1.958 3.868
13 HA SER 4 HA SER 4 7.628 1.371 1.760
14 1HB SER 4 2HB SER 4 8.135 1.236 4.745
15 2HB SER 4 1HB SER 4 9.352 1.400 3.478
16 HG SER 4 HG SER 4 8.974 3.462 3.424
17 H ASN 5 H ASN 5 6.057 -0.549 4.225
18 HA ASN 5 HA ASN 5 7.575 -2.930 3.520
19 1HB ASN 5 2HB ASN 5 5.327 -2.494 5.503
20 2HB ASN 5 1HB ASN 5 6.128 -4.038 5.241
21 1HD2 ASN 5 1HD2 ASN 5 7.602 -4.486 6.703
22 2HD2 ASN 5 2HD2 ASN 5 8.587 -3.345 7.545
23 HA PRO 6 HA PRO 6 4.793 -3.897 0.179
24 1HB PRO 6 2HB PRO 6 5.443 -6.618 0.189
25 2HB PRO 6 1HB PRO 6 6.251 -5.361 -0.750
26 1HG PRO 6 2HG PRO 6 7.038 -6.589 1.850
27 2HG PRO 6 1HG PRO 6 8.060 -6.051 0.503
28 1HD PRO 6 2HD PRO 6 7.840 -4.607 2.747
29 2HD PRO 6 1HD PRO 6 7.956 -3.823 1.157
30 H VAL 7 H VAL 7 4.973 -5.981 3.050
31 HA VAL 7 HA VAL 7 2.481 -7.258 2.684
32 HB VAL 7 HB VAL 7 3.678 -6.712 5.388
33 1HG1 VAL 7 1HG1 VAL 7 2.506 -8.538 6.124
34 2HG1 VAL 7 2HG1 VAL 7 2.472 -9.299 4.532
35 3HG1 VAL 7 3HG1 VAL 7 1.416 -7.930 4.877
36 1HG2 VAL 7 1HG2 VAL 7 5.438 -7.492 3.750
37 2HG2 VAL 7 2HG2 VAL 7 4.522 -8.992 3.604
38 3HG2 VAL 7 3HG2 VAL 7 5.202 -8.521 5.162
39 H CYS 8 H CYS 8 3.457 -4.568 4.772
40 HA CYS 8 HA CYS 8 0.940 -4.003 5.830
41 1HB CYS 8 2HB CYS 8 3.289 -3.114 6.506
42 2HB CYS 8 1HB CYS 8 2.965 -1.842 5.332
43 H HIS 9 H HIS 9 2.537 -2.742 2.920
44 HA HIS 9 HA HIS 9 0.610 -0.814 2.267
45 1HB HIS 9 2HB HIS 9 2.893 -1.100 1.207
46 2HB HIS 9 1HB HIS 9 2.198 -2.413 0.260
47 HD1 HIS 9 1HD HIS 9 -0.295 -1.405 -0.892
48 HD2 HIS 9 2HD HIS 9 2.950 1.127 -0.306
49 HE1 HIS 9 1HE HIS 9 -0.655 0.523 -2.460
50 HE2 HIS 9 2HE HIS 9 1.207 2.132 -1.934
51 H LEU 10 H LEU 10 0.866 -4.220 1.255
52 HA LEU 10 HA LEU 10 -1.504 -4.130 -0.331
53 1HB LEU 10 2HB LEU 10 0.002 -6.485 0.806
54 2HB LEU 10 1HB LEU 10 -1.293 -6.601 -0.371
55 HG LEU 10 HG LEU 10 1.363 -5.230 -0.813
56 1HD1 LEU 10 1HD1 LEU 10 1.421 -7.724 -0.667
57 2HD1 LEU 10 2HD1 LEU 10 1.920 -7.068 -2.227
58 3HD1 LEU 10 3HD1 LEU 10 0.314 -7.772 -2.039
59 1HD2 LEU 10 1HD2 LEU 10 -0.252 -4.104 -2.128
60 2HD2 LEU 10 2HD2 LEU 10 -1.043 -5.615 -2.582
61 3HD2 LEU 10 3HD2 LEU 10 0.563 -5.236 -3.207
62 H GLU 11 H GLU 11 -0.785 -5.517 2.854
63 HA GLU 11 HA GLU 11 -3.333 -6.500 3.451
64 1HB GLU 11 2HB GLU 11 -1.290 -7.076 4.688
65 2HB GLU 11 1HB GLU 11 -1.192 -5.436 5.303
66 1HG GLU 11 2HG GLU 11 -3.356 -5.802 6.460
67 2HG GLU 11 1HG GLU 11 -3.299 -7.486 5.934
68 H HIS 12 H HIS 12 -1.892 -3.325 3.964
69 HA HIS 12 HA HIS 12 -4.504 -2.340 4.903
70 1HB HIS 12 2HB HIS 12 -1.783 -1.080 5.313
71 2HB HIS 12 1HB HIS 12 -3.304 -0.533 6.004
72 HD1 HIS 12 1HD HIS 12 -4.330 -1.979 7.919
73 HD2 HIS 12 2HD HIS 12 -0.573 -3.233 6.650
74 HE1 HIS 12 1HE HIS 12 -3.552 -3.625 9.642
75 HE2 HIS 12 2HE HIS 12 -1.471 -4.619 8.644
76 H SER 13 H SER 13 -4.307 -2.688 2.223
77 HA SER 13 HA SER 13 -3.263 -0.586 0.713
78 1HB SER 13 2HB SER 13 -5.657 -2.360 0.196
79 2HB SER 13 1HB SER 13 -4.998 -1.239 -0.994
80 HG SER 13 HG SER 13 -3.823 -3.560 0.107
81 H ASN 14 H ASN 14 -6.135 -0.777 2.645
82 HA ASN 14 HA ASN 14 -7.555 1.407 1.571
83 1HB ASN 14 2HB ASN 14 -7.563 0.169 4.327
84 2HB ASN 14 1HB ASN 14 -8.650 1.472 3.859
85 1HD2 ASN 14 1HD2 ASN 14 -8.327 -0.120 1.088
86 2HD2 ASN 14 2HD2 ASN 14 -9.607 -1.269 1.229
87 H LEU 15 H LEU 15 -5.001 1.168 3.986
88 HA LEU 15 HA LEU 15 -5.155 3.993 4.620
89 1HB LEU 15 2HB LEU 15 -3.121 1.911 5.430
90 2HB LEU 15 1HB LEU 15 -3.229 3.537 6.078
91 HG LEU 15 HG LEU 15 -5.336 1.395 6.391
92 1HD1 LEU 15 1HD1 LEU 15 -4.569 1.750 8.856
93 2HD1 LEU 15 2HD1 LEU 15 -3.076 2.316 8.108
94 3HD1 LEU 15 3HD1 LEU 15 -3.657 0.680 7.792
95 1HD2 LEU 15 1HD2 LEU 15 -6.070 3.837 6.330
96 2HD2 LEU 15 2HD2 LEU 15 -5.176 4.022 7.839
97 3HD2 LEU 15 3HD2 LEU 15 -6.529 2.894 7.749
98 H CYS 16 H CYS 16 -2.941 1.774 3.002
99 HA CYS 16 HA CYS 16 -1.208 3.905 2.134
100 1HB CYS 16 2HB CYS 16 -1.204 0.936 1.950
101 2HB CYS 16 1HB CYS 16 -0.254 1.834 0.770
102 H GLY 17 H GLY 17 -3.784 4.325 1.224
103 1HA GLY 17 2HA GLY 17 -4.101 3.423 -1.478
104 2HA GLY 17 1HA GLY 17 -5.022 4.697 -0.690
105 H GLY 18 H GLY 18 -3.078 6.482 0.007
106 1HA GLY 18 2HA GLY 18 -1.144 7.072 -1.914
107 2HA GLY 18 1HA GLY 18 -2.634 7.856 -2.415
108 H ALA 19 H ALA 19 0.091 8.704 -1.247
109 HA ALA 19 HA ALA 19 0.930 10.375 0.030
110 1HB ALA 19 1HB ALA 19 -0.539 11.836 -1.115
111 2HB ALA 19 2HB ALA 19 -0.648 12.256 0.593
112 3HB ALA 19 3HB ALA 19 -1.925 11.304 -0.164
113 H ALA 20 H ALA 20 0.334 8.023 1.383
114 HA ALA 20 HA ALA 20 0.154 9.028 4.089
115 1HB ALA 20 1HB ALA 20 -1.565 6.742 4.010
116 2HB ALA 20 2HB ALA 20 -2.152 7.952 2.871
117 3HB ALA 20 3HB ALA 20 -1.920 8.377 4.566
118 H GLY 21 H GLY 21 2.396 8.167 3.104
119 1HA GLY 21 2HA GLY 21 2.925 5.425 2.997
120 2HA GLY 21 1HA GLY 21 4.111 6.665 3.370
121 H GLY 22 H GLY 22 3.788 7.573 5.696
122 1HA GLY 22 2HA GLY 22 4.186 7.139 7.912
123 2HA GLY 22 1HA GLY 22 2.681 6.247 7.805
Start of MODEL 14
1 1H GLY 1 H GLY 1 3.809 4.971 6.560
2 1HA GLY 1 2HA GLY 1 6.509 4.620 6.034
3 2HA GLY 1 1HA GLY 1 6.295 4.196 7.727
4 H CYS 2 H CYS 2 3.545 3.256 7.183
5 HA CYS 2 HA CYS 2 3.898 0.540 7.015
6 1HB CYS 2 2HB CYS 2 1.825 1.494 7.757
7 2HB CYS 2 1HB CYS 2 1.550 2.257 6.205
8 H CYS 3 H CYS 3 3.210 2.777 4.405
9 HA CYS 3 HA CYS 3 2.835 0.989 2.320
10 1HB CYS 3 2HB CYS 3 4.084 3.725 2.109
11 2HB CYS 3 1HB CYS 3 3.248 2.844 0.834
12 H SER 4 H SER 4 5.827 1.981 3.813
13 HA SER 4 HA SER 4 7.564 1.319 1.681
14 1HB SER 4 2HB SER 4 8.233 2.707 3.635
15 2HB SER 4 1HB SER 4 8.154 1.269 4.652
16 HG SER 4 HG SER 4 9.663 0.661 2.578
17 H ASN 5 H ASN 5 5.961 -0.557 4.138
18 HA ASN 5 HA ASN 5 7.524 -2.936 3.527
19 1HB ASN 5 2HB ASN 5 5.276 -2.401 5.473
20 2HB ASN 5 1HB ASN 5 5.927 -4.011 5.195
21 1HD2 ASN 5 1HD2 ASN 5 8.455 -1.952 4.798
22 2HD2 ASN 5 2HD2 ASN 5 9.089 -1.971 6.405
23 HA PRO 6 HA PRO 6 4.843 -4.048 0.162
24 1HB PRO 6 2HB PRO 6 5.470 -6.761 0.259
25 2HB PRO 6 1HB PRO 6 6.351 -5.534 -0.654
26 1HG PRO 6 2HG PRO 6 6.964 -6.717 2.015
27 2HG PRO 6 1HG PRO 6 8.071 -6.245 0.713
28 1HD PRO 6 2HD PRO 6 7.759 -4.731 2.900
29 2HD PRO 6 1HD PRO 6 7.997 -3.999 1.298
30 H VAL 7 H VAL 7 4.942 -6.081 3.077
31 HA VAL 7 HA VAL 7 2.422 -7.302 2.685
32 HB VAL 7 HB VAL 7 3.625 -6.794 5.395
33 1HG1 VAL 7 1HG1 VAL 7 2.523 -9.423 4.804
34 2HG1 VAL 7 2HG1 VAL 7 1.355 -8.118 4.599
35 3HG1 VAL 7 3HG1 VAL 7 2.187 -8.323 6.141
36 1HG2 VAL 7 1HG2 VAL 7 4.379 -9.223 3.830
37 2HG2 VAL 7 2HG2 VAL 7 5.224 -8.435 5.162
38 3HG2 VAL 7 3HG2 VAL 7 5.253 -7.716 3.552
39 H CYS 8 H CYS 8 3.463 -4.653 4.791
40 HA CYS 8 HA CYS 8 0.973 -4.012 5.850
41 1HB CYS 8 2HB CYS 8 3.323 -3.203 6.544
42 2HB CYS 8 1HB CYS 8 3.095 -1.940 5.339
43 H HIS 9 H HIS 9 2.563 -2.800 2.911
44 HA HIS 9 HA HIS 9 0.650 -0.836 2.281
45 1HB HIS 9 2HB HIS 9 2.941 -1.137 1.222
46 2HB HIS 9 1HB HIS 9 2.225 -2.423 0.255
47 HD1 HIS 9 1HD HIS 9 -0.277 -1.324 -0.842
48 HD2 HIS 9 2HD HIS 9 3.068 1.086 -0.293
49 HE1 HIS 9 1HE HIS 9 -0.589 0.627 -2.395
50 HE2 HIS 9 2HE HIS 9 1.335 2.173 -1.882
51 H LEU 10 H LEU 10 0.904 -4.232 1.256
52 HA LEU 10 HA LEU 10 -1.445 -4.149 -0.355
53 1HB LEU 10 2HB LEU 10 0.371 -5.773 -0.700
54 2HB LEU 10 1HB LEU 10 -0.004 -6.517 0.842
55 HG LEU 10 HG LEU 10 -2.241 -7.139 -0.036
56 1HD1 LEU 10 1HD1 LEU 10 -2.230 -5.282 -1.769
57 2HD1 LEU 10 2HD1 LEU 10 -2.835 -6.853 -2.294
58 3HD1 LEU 10 3HD1 LEU 10 -1.208 -6.340 -2.743
59 1HD2 LEU 10 1HD2 LEU 10 0.323 -8.188 -0.837
60 2HD2 LEU 10 2HD2 LEU 10 -0.912 -8.526 -2.050
61 3HD2 LEU 10 3HD2 LEU 10 -1.150 -9.043 -0.380
62 H GLU 11 H GLU 11 -0.776 -5.535 2.841
63 HA GLU 11 HA GLU 11 -3.338 -6.493 3.415
64 1HB GLU 11 2HB GLU 11 -1.306 -7.098 4.655
65 2HB GLU 11 1HB GLU 11 -1.195 -5.463 5.285
66 1HG GLU 11 2HG GLU 11 -3.368 -5.819 6.429
67 2HG GLU 11 1HG GLU 11 -3.322 -7.501 5.891
68 H HIS 12 H HIS 12 -1.888 -3.322 3.898
69 HA HIS 12 HA HIS 12 -4.497 -2.332 4.843
70 1HB HIS 12 2HB HIS 12 -1.781 -1.081 5.302
71 2HB HIS 12 1HB HIS 12 -3.311 -0.555 5.990
72 HD1 HIS 12 1HD HIS 12 -4.359 -2.070 7.849
73 HD2 HIS 12 2HD HIS 12 -0.552 -3.220 6.637
74 HE1 HIS 12 1HE HIS 12 -3.580 -3.723 9.562
75 HE2 HIS 12 2HE HIS 12 -1.459 -4.657 8.593
76 H SER 13 H SER 13 -4.283 -2.642 2.166
77 HA SER 13 HA SER 13 -3.186 -0.537 0.699
78 1HB SER 13 2HB SER 13 -5.609 -2.254 0.125
79 2HB SER 13 1HB SER 13 -4.892 -1.145 -1.044
80 HG SER 13 HG SER 13 -3.818 -3.511 0.061
81 H ASN 14 H ASN 14 -6.167 -0.761 2.494
82 HA ASN 14 HA ASN 14 -7.485 1.498 1.465
83 1HB ASN 14 2HB ASN 14 -7.654 0.328 4.253
84 2HB ASN 14 1HB ASN 14 -8.808 1.448 3.540
85 1HD2 ASN 14 1HD2 ASN 14 -10.570 0.530 2.795
86 2HD2 ASN 14 2HD2 ASN 14 -10.704 -1.083 2.189
87 H LEU 15 H LEU 15 -5.049 1.120 3.978
88 HA LEU 15 HA LEU 15 -5.211 3.920 4.726
89 1HB LEU 15 2HB LEU 15 -3.389 1.683 5.623
90 2HB LEU 15 1HB LEU 15 -3.256 3.328 6.207
91 HG LEU 15 HG LEU 15 -4.411 2.147 7.881
92 1HD1 LEU 15 1HD1 LEU 15 -6.413 3.642 6.202
93 2HD1 LEU 15 2HD1 LEU 15 -5.391 4.295 7.484
94 3HD1 LEU 15 3HD1 LEU 15 -6.672 3.147 7.876
95 1HD2 LEU 15 1HD2 LEU 15 -6.463 0.828 7.424
96 2HD2 LEU 15 2HD2 LEU 15 -5.003 0.144 6.709
97 3HD2 LEU 15 3HD2 LEU 15 -6.153 1.019 5.698
98 H CYS 16 H CYS 16 -3.117 1.756 2.945
99 HA CYS 16 HA CYS 16 -1.312 3.947 2.312
100 1HB CYS 16 2HB CYS 16 -1.090 0.995 2.274
101 2HB CYS 16 1HB CYS 16 -0.173 1.878 1.055
102 H GLY 17 H GLY 17 -3.623 4.472 1.181
103 1HA GLY 17 2HA GLY 17 -3.877 3.415 -1.487
104 2HA GLY 17 1HA GLY 17 -4.733 4.804 -0.828
105 H GLY 18 H GLY 18 -1.296 4.129 -1.194
106 1HA GLY 18 2HA GLY 18 -0.643 5.605 -3.410
107 2HA GLY 18 1HA GLY 18 -0.686 6.767 -2.084
108 H ALA 19 H ALA 19 1.338 7.166 -1.453
109 HA ALA 19 HA ALA 19 2.985 4.944 -0.574
110 1HB ALA 19 1HB ALA 19 3.864 6.824 -2.758
111 2HB ALA 19 2HB ALA 19 3.725 5.067 -2.836
112 3HB ALA 19 3HB ALA 19 4.974 5.809 -1.835
113 H ALA 20 H ALA 20 1.719 6.807 0.996
114 HA ALA 20 HA ALA 20 3.991 8.071 2.277
115 1HB ALA 20 1HB ALA 20 3.631 10.071 1.345
116 2HB ALA 20 2HB ALA 20 2.205 10.162 2.379
117 3HB ALA 20 3HB ALA 20 2.054 9.591 0.717
118 H GLY 21 H GLY 21 2.311 5.921 3.009
119 1HA GLY 21 2HA GLY 21 0.380 6.890 4.933
120 2HA GLY 21 1HA GLY 21 0.787 5.212 4.616
121 H GLY 22 H GLY 22 2.816 7.946 5.614
122 1HA GLY 22 2HA GLY 22 4.006 8.339 7.541
123 2HA GLY 22 1HA GLY 22 3.096 7.050 8.309
Start of MODEL 15
1 1H GLY 1 H GLY 1 4.237 6.257 5.953
2 1HA GLY 1 2HA GLY 1 6.782 5.161 6.031
3 2HA GLY 1 1HA GLY 1 5.717 5.283 7.416
4 H CYS 2 H CYS 2 3.861 3.528 7.212
5 HA CYS 2 HA CYS 2 5.164 1.008 7.465
6 1HB CYS 2 2HB CYS 2 3.115 1.745 8.739
7 2HB CYS 2 1HB CYS 2 2.192 1.525 7.263
8 H CYS 3 H CYS 3 3.256 2.567 5.032
9 HA CYS 3 HA CYS 3 2.702 0.402 3.370
10 1HB CYS 3 2HB CYS 3 3.074 3.309 2.661
11 2HB CYS 3 1HB CYS 3 2.305 2.096 1.636
12 H SER 4 H SER 4 5.698 1.865 4.012
13 HA SER 4 HA SER 4 6.992 1.492 1.526
14 1HB SER 4 2HB SER 4 7.913 2.868 3.409
15 2HB SER 4 1HB SER 4 8.221 1.377 4.298
16 HG SER 4 HG SER 4 9.398 0.850 2.162
17 H ASN 5 H ASN 5 5.990 -0.586 4.078
18 HA ASN 5 HA ASN 5 7.618 -2.836 3.199
19 1HB ASN 5 2HB ASN 5 5.460 -2.617 5.315
20 2HB ASN 5 1HB ASN 5 6.402 -4.069 4.993
21 1HD2 ASN 5 1HD2 ASN 5 6.171 -1.381 6.890
22 2HD2 ASN 5 2HD2 ASN 5 7.792 -1.320 7.484
23 HA PRO 6 HA PRO 6 4.720 -4.049 0.053
24 1HB PRO 6 2HB PRO 6 5.771 -6.754 0.738
25 2HB PRO 6 1HB PRO 6 5.628 -5.966 -0.837
26 1HG PRO 6 2HG PRO 6 7.994 -6.165 0.360
27 2HG PRO 6 1HG PRO 6 7.545 -4.694 -0.524
28 1HD PRO 6 2HD PRO 6 7.645 -5.185 2.419
29 2HD PRO 6 1HD PRO 6 8.042 -3.716 1.504
30 H VAL 7 H VAL 7 4.967 -6.002 3.018
31 HA VAL 7 HA VAL 7 2.476 -7.296 2.776
32 HB VAL 7 HB VAL 7 3.768 -6.594 5.405
33 1HG1 VAL 7 1HG1 VAL 7 2.682 -8.489 6.268
34 2HG1 VAL 7 2HG1 VAL 7 2.303 -9.109 4.658
35 3HG1 VAL 7 3HG1 VAL 7 1.476 -7.675 5.269
36 1HG2 VAL 7 1HG2 VAL 7 5.431 -8.112 5.153
37 2HG2 VAL 7 2HG2 VAL 7 5.209 -7.744 3.442
38 3HG2 VAL 7 3HG2 VAL 7 4.454 -9.177 4.142
39 H CYS 8 H CYS 8 3.459 -4.493 4.703
40 HA CYS 8 HA CYS 8 0.925 -3.886 5.728
41 1HB CYS 8 2HB CYS 8 3.113 -2.986 6.572
42 2HB CYS 8 1HB CYS 8 3.137 -1.902 5.185
43 H HIS 9 H HIS 9 2.561 -2.803 2.790
44 HA HIS 9 HA HIS 9 0.710 -0.848 2.010
45 1HB HIS 9 2HB HIS 9 3.014 -1.357 1.012
46 2HB HIS 9 1HB HIS 9 2.198 -2.604 0.072
47 HD1 HIS 9 1HD HIS 9 -0.211 -1.328 -1.044
48 HD2 HIS 9 2HD HIS 9 3.328 0.804 -0.562
49 HE1 HIS 9 1HE HIS 9 -0.363 0.606 -2.645
50 HE2 HIS 9 2HE HIS 9 1.710 1.968 -2.211
51 H LEU 10 H LEU 10 0.834 -4.312 1.250
52 HA LEU 10 HA LEU 10 -1.523 -4.211 -0.379
53 1HB LEU 10 2HB LEU 10 -0.055 -6.563 0.812
54 2HB LEU 10 1HB LEU 10 -1.351 -6.682 -0.362
55 HG LEU 10 HG LEU 10 1.324 -5.363 -0.839
56 1HD1 LEU 10 1HD1 LEU 10 1.682 -7.269 -2.374
57 2HD1 LEU 10 2HD1 LEU 10 0.201 -8.003 -1.760
58 3HD1 LEU 10 3HD1 LEU 10 1.573 -7.751 -0.682
59 1HD2 LEU 10 1HD2 LEU 10 -1.023 -4.775 -2.087
60 2HD2 LEU 10 2HD2 LEU 10 -0.388 -6.061 -3.112
61 3HD2 LEU 10 3HD2 LEU 10 0.575 -4.613 -2.814
62 H GLU 11 H GLU 11 -0.819 -5.526 2.846
63 HA GLU 11 HA GLU 11 -3.393 -6.448 3.447
64 1HB GLU 11 2HB GLU 11 -1.427 -7.112 4.718
65 2HB GLU 11 1HB GLU 11 -1.192 -5.462 5.269
66 1HG GLU 11 2HG GLU 11 -3.346 -5.596 6.468
67 2HG GLU 11 1HG GLU 11 -3.476 -7.286 5.978
68 H HIS 12 H HIS 12 -1.862 -3.319 4.075
69 HA HIS 12 HA HIS 12 -4.466 -2.288 4.975
70 1HB HIS 12 2HB HIS 12 -1.759 -0.980 5.309
71 2HB HIS 12 1HB HIS 12 -3.269 -0.508 6.074
72 HD1 HIS 12 1HD HIS 12 -4.207 -2.148 7.932
73 HD2 HIS 12 2HD HIS 12 -0.357 -2.987 6.618
74 HE1 HIS 12 1HE HIS 12 -3.268 -3.774 9.596
75 HE2 HIS 12 2HE HIS 12 -1.103 -4.528 8.549
76 H SER 13 H SER 13 -4.264 -2.721 2.320
77 HA SER 13 HA SER 13 -3.257 -0.711 0.697
78 1HB SER 13 2HB SER 13 -5.354 -1.446 -0.754
79 2HB SER 13 1HB SER 13 -3.991 -2.537 -0.502
80 HG SER 13 HG SER 13 -5.243 -3.818 0.593
81 H ASN 14 H ASN 14 -6.158 -0.819 2.618
82 HA ASN 14 HA ASN 14 -7.564 1.343 1.536
83 1HB ASN 14 2HB ASN 14 -8.594 -0.189 3.124
84 2HB ASN 14 1HB ASN 14 -7.468 0.307 4.380
85 1HD2 ASN 14 1HD2 ASN 14 -10.498 0.767 3.083
86 2HD2 ASN 14 2HD2 ASN 14 -10.900 2.255 3.863
87 H LEU 15 H LEU 15 -5.046 1.229 4.040
88 HA LEU 15 HA LEU 15 -5.136 4.089 4.422
89 1HB LEU 15 2HB LEU 15 -3.243 1.962 5.428
90 2HB LEU 15 1HB LEU 15 -3.058 3.664 5.801
91 HG LEU 15 HG LEU 15 -4.083 2.704 7.688
92 1HD1 LEU 15 1HD1 LEU 15 -6.608 3.552 7.271
93 2HD1 LEU 15 2HD1 LEU 15 -5.769 4.371 5.955
94 3HD1 LEU 15 3HD1 LEU 15 -5.248 4.618 7.622
95 1HD2 LEU 15 1HD2 LEU 15 -6.510 1.612 6.566
96 2HD2 LEU 15 2HD2 LEU 15 -5.343 0.877 7.666
97 3HD2 LEU 15 3HD2 LEU 15 -5.079 0.807 5.924
98 H CYS 16 H CYS 16 -3.108 1.742 2.808
99 HA CYS 16 HA CYS 16 -1.163 3.648 1.909
100 1HB CYS 16 2HB CYS 16 -1.639 0.768 1.127
101 2HB CYS 16 1HB CYS 16 -0.219 1.720 0.698
102 H GLY 17 H GLY 17 -3.703 4.459 1.096
103 1HA GLY 17 2HA GLY 17 -3.289 5.130 -1.560
104 2HA GLY 17 1HA GLY 17 -4.292 3.686 -1.577
105 H GLY 18 H GLY 18 -5.889 4.112 0.621
106 1HA GLY 18 2HA GLY 18 -7.766 5.984 -0.461
107 2HA GLY 18 1HA GLY 18 -7.975 5.011 0.985
108 H ALA 19 H ALA 19 -5.696 5.965 2.432
109 HA ALA 19 HA ALA 19 -6.740 8.602 3.122
110 1HB ALA 19 1HB ALA 19 -4.738 7.308 4.863
111 2HB ALA 19 2HB ALA 19 -6.305 6.509 4.731
112 3HB ALA 19 3HB ALA 19 -6.211 8.182 5.281
113 H ALA 20 H ALA 20 -3.542 7.333 3.720
114 HA ALA 20 HA ALA 20 -2.049 8.672 1.794
115 1HB ALA 20 1HB ALA 20 -3.075 10.689 2.991
116 2HB ALA 20 2HB ALA 20 -1.326 10.691 2.758
117 3HB ALA 20 3HB ALA 20 -2.005 10.283 4.334
118 H GLY 21 H GLY 21 -1.901 6.224 3.068
119 1HA GLY 21 2HA GLY 21 0.023 6.210 5.174
120 2HA GLY 21 1HA GLY 21 -0.486 4.823 4.224
121 H GLY 22 H GLY 22 2.213 5.957 5.129
122 1HA GLY 22 2HA GLY 22 3.498 5.525 2.533
123 2HA GLY 22 1HA GLY 22 3.891 6.995 3.408
Start of MODEL 16
1 1H GLY 1 H GLY 1 4.080 6.157 5.790
2 1HA GLY 1 2HA GLY 1 6.741 5.251 5.706
3 2HA GLY 1 1HA GLY 1 5.780 5.428 7.163
4 H CYS 2 H CYS 2 3.831 3.618 6.868
5 HA CYS 2 HA CYS 2 5.191 1.130 7.329
6 1HB CYS 2 2HB CYS 2 3.105 1.913 8.539
7 2HB CYS 2 1HB CYS 2 2.214 1.594 7.060
8 H CYS 3 H CYS 3 3.349 2.620 4.823
9 HA CYS 3 HA CYS 3 2.753 0.460 3.181
10 1HB CYS 3 2HB CYS 3 3.390 3.279 2.318
11 2HB CYS 3 1HB CYS 3 2.413 2.099 1.444
12 H SER 4 H SER 4 5.798 1.883 3.835
13 HA SER 4 HA SER 4 7.145 1.337 1.417
14 1HB SER 4 2HB SER 4 8.286 1.341 4.226
15 2HB SER 4 1HB SER 4 9.190 1.554 2.726
16 HG SER 4 HG SER 4 7.129 3.315 2.920
17 H ASN 5 H ASN 5 6.044 -0.605 4.039
18 HA ASN 5 HA ASN 5 7.653 -2.917 3.303
19 1HB ASN 5 2HB ASN 5 5.440 -2.576 5.346
20 2HB ASN 5 1HB ASN 5 6.372 -4.050 5.116
21 1HD2 ASN 5 1HD2 ASN 5 6.115 -1.291 6.895
22 2HD2 ASN 5 2HD2 ASN 5 7.718 -1.218 7.532
23 HA PRO 6 HA PRO 6 4.803 -4.218 0.154
24 1HB PRO 6 2HB PRO 6 5.427 -6.932 0.388
25 2HB PRO 6 1HB PRO 6 6.240 -5.766 -0.660
26 1HG PRO 6 2HG PRO 6 7.037 -6.780 2.028
27 2HG PRO 6 1HG PRO 6 8.052 -6.372 0.633
28 1HD PRO 6 2HD PRO 6 7.871 -4.738 2.744
29 2HD PRO 6 1HD PRO 6 7.983 -4.096 1.092
30 H VAL 7 H VAL 7 4.987 -5.991 3.223
31 HA VAL 7 HA VAL 7 2.503 -7.311 2.989
32 HB VAL 7 HB VAL 7 3.767 -6.473 5.596
33 1HG1 VAL 7 1HG1 VAL 7 1.727 -8.455 4.760
34 2HG1 VAL 7 2HG1 VAL 7 1.813 -7.456 6.210
35 3HG1 VAL 7 3HG1 VAL 7 2.813 -8.902 6.076
36 1HG2 VAL 7 1HG2 VAL 7 5.296 -8.207 5.525
37 2HG2 VAL 7 2HG2 VAL 7 5.318 -7.638 3.855
38 3HG2 VAL 7 3HG2 VAL 7 4.403 -9.084 4.283
39 H CYS 8 H CYS 8 3.445 -4.407 4.790
40 HA CYS 8 HA CYS 8 0.899 -3.737 5.734
41 1HB CYS 8 2HB CYS 8 3.186 -2.781 6.423
42 2HB CYS 8 1HB CYS 8 2.993 -1.685 5.057
43 H HIS 9 H HIS 9 2.583 -2.801 2.770
44 HA HIS 9 HA HIS 9 0.774 -0.888 1.849
45 1HB HIS 9 2HB HIS 9 3.053 -1.465 0.887
46 2HB HIS 9 1HB HIS 9 2.264 -2.805 0.061
47 HD1 HIS 9 1HD HIS 9 -0.162 -1.656 -1.181
48 HD2 HIS 9 2HD HIS 9 3.370 0.525 -0.895
49 HE1 HIS 9 1HE HIS 9 -0.307 0.102 -2.971
50 HE2 HIS 9 2HE HIS 9 1.778 1.488 -2.693
51 H LEU 10 H LEU 10 0.815 -4.398 1.224
52 HA LEU 10 HA LEU 10 -1.590 -4.255 -0.344
53 1HB LEU 10 2HB LEU 10 0.204 -6.451 0.576
54 2HB LEU 10 1HB LEU 10 -1.405 -6.858 0.016
55 HG LEU 10 HG LEU 10 0.156 -7.132 -1.795
56 1HD1 LEU 10 1HD1 LEU 10 -0.816 -5.596 -3.459
57 2HD1 LEU 10 2HD1 LEU 10 -1.544 -4.671 -2.145
58 3HD1 LEU 10 3HD1 LEU 10 -2.030 -6.344 -2.421
59 1HD2 LEU 10 1HD2 LEU 10 1.986 -5.770 -1.242
60 2HD2 LEU 10 2HD2 LEU 10 0.986 -4.322 -1.136
61 3HD2 LEU 10 3HD2 LEU 10 1.312 -5.056 -2.707
62 H GLU 11 H GLU 11 -0.789 -5.577 2.855
63 HA GLU 11 HA GLU 11 -3.336 -6.512 3.526
64 1HB GLU 11 2HB GLU 11 -1.283 -7.097 4.742
65 2HB GLU 11 1HB GLU 11 -1.161 -5.450 5.338
66 1HG GLU 11 2HG GLU 11 -3.304 -5.764 6.524
67 2HG GLU 11 1HG GLU 11 -3.316 -7.445 5.992
68 H HIS 12 H HIS 12 -1.923 -3.306 3.789
69 HA HIS 12 HA HIS 12 -4.521 -2.326 4.783
70 1HB HIS 12 2HB HIS 12 -1.839 -1.006 5.235
71 2HB HIS 12 1HB HIS 12 -3.378 -0.567 5.961
72 HD1 HIS 12 1HD HIS 12 -4.392 -2.377 7.674
73 HD2 HIS 12 2HD HIS 12 -0.406 -2.896 6.630
74 HE1 HIS 12 1HE HIS 12 -3.458 -3.979 9.363
75 HE2 HIS 12 2HE HIS 12 -1.174 -4.543 8.466
76 H SER 13 H SER 13 -4.244 -2.674 2.105
77 HA SER 13 HA SER 13 -3.166 -0.587 0.613
78 1HB SER 13 2HB SER 13 -5.623 -2.266 0.050
79 2HB SER 13 1HB SER 13 -4.824 -1.232 -1.135
80 HG SER 13 HG SER 13 -3.881 -3.598 0.089
81 H ASN 14 H ASN 14 -6.224 -0.826 2.311
82 HA ASN 14 HA ASN 14 -7.476 1.462 1.266
83 1HB ASN 14 2HB ASN 14 -7.799 0.212 4.005
84 2HB ASN 14 1HB ASN 14 -8.902 1.374 3.278
85 1HD2 ASN 14 1HD2 ASN 14 -10.632 0.518 2.393
86 2HD2 ASN 14 2HD2 ASN 14 -10.758 -1.071 1.729
87 H LEU 15 H LEU 15 -5.196 1.028 3.922
88 HA LEU 15 HA LEU 15 -5.424 3.762 4.804
89 1HB LEU 15 2HB LEU 15 -3.380 1.642 5.475
90 2HB LEU 15 1HB LEU 15 -3.523 3.195 6.275
91 HG LEU 15 HG LEU 15 -5.605 1.009 6.307
92 1HD1 LEU 15 1HD1 LEU 15 -3.266 1.504 7.915
93 2HD1 LEU 15 2HD1 LEU 15 -4.385 0.142 7.947
94 3HD1 LEU 15 3HD1 LEU 15 -4.735 1.590 8.887
95 1HD2 LEU 15 1HD2 LEU 15 -6.045 2.903 8.333
96 2HD2 LEU 15 2HD2 LEU 15 -7.043 2.588 6.914
97 3HD2 LEU 15 3HD2 LEU 15 -5.782 3.819 6.848
98 H CYS 16 H CYS 16 -3.271 1.848 2.829
99 HA CYS 16 HA CYS 16 -1.396 3.994 2.420
100 1HB CYS 16 2HB CYS 16 -1.644 1.220 1.259
101 2HB CYS 16 1HB CYS 16 -0.355 2.339 0.822
102 H GLY 17 H GLY 17 -3.974 4.748 1.672
103 1HA GLY 17 2HA GLY 17 -4.138 4.593 -1.229
104 2HA GLY 17 1HA GLY 17 -5.286 5.382 -0.158
105 H GLY 18 H GLY 18 -1.781 5.823 -0.451
106 1HA GLY 18 2HA GLY 18 -0.558 7.642 -1.186
107 2HA GLY 18 1HA GLY 18 -2.048 8.345 -1.801
108 H ALA 19 H ALA 19 -2.811 10.060 -0.792
109 HA ALA 19 HA ALA 19 -3.087 11.757 0.682
110 1HB ALA 19 1HB ALA 19 -4.187 10.901 2.401
111 2HB ALA 19 2HB ALA 19 -2.651 10.564 3.196
112 3HB ALA 19 3HB ALA 19 -3.397 9.342 2.169
113 H ALA 20 H ALA 20 -0.357 11.033 -0.244
114 HA ALA 20 HA ALA 20 1.787 11.721 -0.016
115 1HB ALA 20 1HB ALA 20 0.158 13.819 1.151
116 2HB ALA 20 2HB ALA 20 1.561 13.933 0.087
117 3HB ALA 20 3HB ALA 20 1.786 13.777 1.829
118 H GLY 21 H GLY 21 0.957 9.571 1.653
119 1HA GLY 21 2HA GLY 21 3.115 9.690 3.588
120 2HA GLY 21 1HA GLY 21 1.505 9.522 4.279
121 H GLY 22 H GLY 22 3.964 7.701 4.029
122 1HA GLY 22 2HA GLY 22 2.467 5.293 3.727
123 2HA GLY 22 1HA GLY 22 3.485 5.586 2.325
Start of MODEL 17
1 1H GLY 1 H GLY 1 4.933 6.344 5.894
2 1HA GLY 1 2HA GLY 1 7.231 4.837 6.141
3 2HA GLY 1 1HA GLY 1 6.091 5.105 7.442
4 H CYS 2 H CYS 2 3.975 3.668 6.948
5 HA CYS 2 HA CYS 2 4.866 0.983 7.285
6 1HB CYS 2 2HB CYS 2 2.762 2.126 8.274
7 2HB CYS 2 1HB CYS 2 2.010 1.751 6.728
8 H CYS 3 H CYS 3 3.494 2.833 4.679
9 HA CYS 3 HA CYS 3 2.792 0.817 2.894
10 1HB CYS 3 2HB CYS 3 3.884 3.526 2.142
11 2HB CYS 3 1HB CYS 3 2.769 2.522 1.218
12 H SER 4 H SER 4 5.920 1.985 3.793
13 HA SER 4 HA SER 4 7.384 1.266 1.498
14 1HB SER 4 2HB SER 4 8.315 1.296 4.382
15 2HB SER 4 1HB SER 4 9.348 1.351 2.953
16 HG SER 4 HG SER 4 7.345 3.291 3.225
17 H ASN 5 H ASN 5 6.003 -0.563 4.074
18 HA ASN 5 HA ASN 5 7.546 -2.956 3.482
19 1HB ASN 5 2HB ASN 5 5.259 -2.454 5.404
20 2HB ASN 5 1HB ASN 5 6.098 -3.993 5.237
21 1HD2 ASN 5 1HD2 ASN 5 5.943 -1.212 6.982
22 2HD2 ASN 5 2HD2 ASN 5 7.522 -1.227 7.681
23 HA PRO 6 HA PRO 6 4.801 -4.168 0.194
24 1HB PRO 6 2HB PRO 6 5.792 -6.868 0.964
25 2HB PRO 6 1HB PRO 6 5.759 -6.090 -0.622
26 1HG PRO 6 2HG PRO 6 8.041 -6.318 0.728
27 2HG PRO 6 1HG PRO 6 7.676 -4.851 -0.200
28 1HD PRO 6 2HD PRO 6 7.564 -5.306 2.749
29 2HD PRO 6 1HD PRO 6 8.066 -3.862 1.849
30 H VAL 7 H VAL 7 4.916 -5.952 3.254
31 HA VAL 7 HA VAL 7 2.449 -7.289 2.954
32 HB VAL 7 HB VAL 7 3.678 -6.468 5.585
33 1HG1 VAL 7 1HG1 VAL 7 2.404 -8.092 6.575
34 2HG1 VAL 7 2HG1 VAL 7 2.275 -9.049 5.099
35 3HG1 VAL 7 3HG1 VAL 7 1.320 -7.578 5.282
36 1HG2 VAL 7 1HG2 VAL 7 4.285 -9.131 4.432
37 2HG2 VAL 7 2HG2 VAL 7 5.263 -8.096 5.472
38 3HG2 VAL 7 3HG2 VAL 7 5.136 -7.747 3.748
39 H CYS 8 H CYS 8 3.325 -4.381 4.795
40 HA CYS 8 HA CYS 8 0.725 -3.747 5.639
41 1HB CYS 8 2HB CYS 8 2.823 -2.767 6.588
42 2HB CYS 8 1HB CYS 8 2.961 -1.778 5.134
43 H HIS 9 H HIS 9 2.519 -2.827 2.743
44 HA HIS 9 HA HIS 9 0.775 -0.884 1.758
45 1HB HIS 9 2HB HIS 9 3.091 -1.593 0.891
46 2HB HIS 9 1HB HIS 9 2.225 -2.830 -0.017
47 HD1 HIS 9 1HD HIS 9 -0.057 -1.450 -1.277
48 HD2 HIS 9 2HD HIS 9 3.609 0.454 -0.776
49 HE1 HIS 9 1HE HIS 9 -0.013 0.393 -2.988
50 HE2 HIS 9 2HE HIS 9 2.251 1.467 -2.732
51 H LEU 10 H LEU 10 0.768 -4.399 1.225
52 HA LEU 10 HA LEU 10 -1.605 -4.266 -0.409
53 1HB LEU 10 2HB LEU 10 0.157 -6.462 0.584
54 2HB LEU 10 1HB LEU 10 -1.441 -6.862 -0.010
55 HG LEU 10 HG LEU 10 -0.870 -5.805 -2.182
56 1HD1 LEU 10 1HD1 LEU 10 1.247 -5.008 -2.712
57 2HD1 LEU 10 2HD1 LEU 10 1.989 -5.757 -1.298
58 3HD1 LEU 10 3HD1 LEU 10 0.951 -4.345 -1.105
59 1HD2 LEU 10 1HD2 LEU 10 -0.054 -7.746 -2.953
60 2HD2 LEU 10 2HD2 LEU 10 -0.263 -8.283 -1.286
61 3HD2 LEU 10 3HD2 LEU 10 1.317 -7.731 -1.843
62 H GLU 11 H GLU 11 -0.846 -5.585 2.804
63 HA GLU 11 HA GLU 11 -3.393 -6.481 3.502
64 1HB GLU 11 2HB GLU 11 -1.333 -7.037 4.724
65 2HB GLU 11 1HB GLU 11 -1.208 -5.374 5.277
66 1HG GLU 11 2HG GLU 11 -3.378 -5.681 6.461
67 2HG GLU 11 1HG GLU 11 -3.313 -7.388 6.019
68 H HIS 12 H HIS 12 -1.866 -3.334 4.028
69 HA HIS 12 HA HIS 12 -4.472 -2.271 4.883
70 1HB HIS 12 2HB HIS 12 -1.728 -1.059 5.279
71 2HB HIS 12 1HB HIS 12 -3.242 -0.434 5.914
72 HD1 HIS 12 1HD HIS 12 -4.401 -1.868 7.809
73 HD2 HIS 12 2HD HIS 12 -0.554 -3.062 6.799
74 HE1 HIS 12 1HE HIS 12 -3.683 -3.427 9.635
75 HE2 HIS 12 2HE HIS 12 -1.532 -4.410 8.782
76 H SER 13 H SER 13 -4.264 -2.743 2.258
77 HA SER 13 HA SER 13 -3.176 -0.769 0.624
78 1HB SER 13 2HB SER 13 -5.173 -1.498 -0.910
79 2HB SER 13 1HB SER 13 -3.911 -2.664 -0.511
80 HG SER 13 HG SER 13 -5.321 -3.810 0.543
81 H ASN 14 H ASN 14 -6.149 -0.859 2.451
82 HA ASN 14 HA ASN 14 -7.366 1.423 1.286
83 1HB ASN 14 2HB ASN 14 -7.781 0.069 3.955
84 2HB ASN 14 1HB ASN 14 -8.751 1.428 3.400
85 1HD2 ASN 14 1HD2 ASN 14 -8.002 -0.233 0.685
86 2HD2 ASN 14 2HD2 ASN 14 -9.372 -1.279 0.596
87 H LEU 15 H LEU 15 -5.148 0.943 3.987
88 HA LEU 15 HA LEU 15 -5.319 3.649 4.910
89 1HB LEU 15 2HB LEU 15 -3.395 1.400 5.468
90 2HB LEU 15 1HB LEU 15 -3.156 3.005 6.129
91 HG LEU 15 HG LEU 15 -5.448 2.777 7.195
92 1HD1 LEU 15 1HD1 LEU 15 -6.177 0.887 5.727
93 2HD1 LEU 15 2HD1 LEU 15 -6.412 0.616 7.454
94 3HD1 LEU 15 3HD1 LEU 15 -5.063 -0.152 6.618
95 1HD2 LEU 15 1HD2 LEU 15 -4.470 0.993 8.870
96 2HD2 LEU 15 2HD2 LEU 15 -3.776 2.608 8.738
97 3HD2 LEU 15 3HD2 LEU 15 -3.006 1.248 7.921
98 H CYS 16 H CYS 16 -3.030 1.797 2.958
99 HA CYS 16 HA CYS 16 -1.477 4.184 2.387
100 1HB CYS 16 2HB CYS 16 -1.165 1.275 1.662
101 2HB CYS 16 1HB CYS 16 -0.125 2.525 0.989
102 H GLY 17 H GLY 17 -4.194 4.150 1.501
103 1HA GLY 17 2HA GLY 17 -3.996 3.821 -1.401
104 2HA GLY 17 1HA GLY 17 -5.473 4.093 -0.488
105 H GLY 18 H GLY 18 -3.840 5.467 -2.777
106 1HA GLY 18 2HA GLY 18 -3.729 7.603 -3.602
107 2HA GLY 18 1HA GLY 18 -4.845 8.063 -2.329
108 H ALA 19 H ALA 19 -1.752 6.620 -1.637
109 HA ALA 19 HA ALA 19 0.100 7.343 -0.555
110 1HB ALA 19 1HB ALA 19 1.195 9.116 -1.462
111 2HB ALA 19 2HB ALA 19 -0.235 10.148 -1.455
112 3HB ALA 19 3HB ALA 19 -0.050 8.907 -2.695
113 H ALA 20 H ALA 20 -2.126 7.227 1.009
114 HA ALA 20 HA ALA 20 -2.324 9.666 2.569
115 1HB ALA 20 1HB ALA 20 -4.181 8.754 3.573
116 2HB ALA 20 2HB ALA 20 -3.591 7.100 3.413
117 3HB ALA 20 3HB ALA 20 -4.221 7.951 2.004
118 H GLY 21 H GLY 21 0.168 8.097 2.369
119 1HA GLY 21 2HA GLY 21 1.087 8.385 4.999
120 2HA GLY 21 1HA GLY 21 0.698 6.687 4.747
121 H GLY 22 H GLY 22 2.797 5.919 4.812
122 1HA GLY 22 2HA GLY 22 4.218 5.738 2.463
123 2HA GLY 22 1HA GLY 22 4.908 7.115 3.306
Start of MODEL 18
1 1H GLY 1 H GLY 1 5.679 5.860 4.986
2 1HA GLY 1 2HA GLY 1 7.512 4.583 5.529
3 2HA GLY 1 1HA GLY 1 7.037 4.694 7.211
4 H CYS 2 H CYS 2 4.677 3.453 7.326
5 HA CYS 2 HA CYS 2 5.364 0.720 7.283
6 1HB CYS 2 2HB CYS 2 3.596 1.830 8.734
7 2HB CYS 2 1HB CYS 2 2.543 1.815 7.326
8 H CYS 3 H CYS 3 3.402 2.689 5.142
9 HA CYS 3 HA CYS 3 2.412 0.749 3.428
10 1HB CYS 3 2HB CYS 3 3.197 3.425 2.374
11 2HB CYS 3 1HB CYS 3 1.715 2.512 2.123
12 H SER 4 H SER 4 5.628 1.992 3.669
13 HA SER 4 HA SER 4 6.460 1.396 1.014
14 1HB SER 4 2HB SER 4 8.170 1.645 3.498
15 2HB SER 4 1HB SER 4 8.689 1.852 1.823
16 HG SER 4 HG SER 4 6.849 3.539 1.908
17 H ASN 5 H ASN 5 5.835 -0.495 3.773
18 HA ASN 5 HA ASN 5 7.567 -2.695 2.985
19 1HB ASN 5 2HB ASN 5 5.536 -2.405 5.212
20 2HB ASN 5 1HB ASN 5 6.481 -3.863 4.929
21 1HD2 ASN 5 1HD2 ASN 5 6.322 -1.089 6.675
22 2HD2 ASN 5 2HD2 ASN 5 7.980 -0.942 7.131
23 HA PRO 6 HA PRO 6 4.715 -4.461 0.097
24 1HB PRO 6 2HB PRO 6 5.831 -7.003 1.192
25 2HB PRO 6 1HB PRO 6 5.646 -6.486 -0.487
26 1HG PRO 6 2HG PRO 6 8.028 -6.420 0.689
27 2HG PRO 6 1HG PRO 6 7.524 -5.125 -0.412
28 1HD PRO 6 2HD PRO 6 7.698 -5.125 2.564
29 2HD PRO 6 1HD PRO 6 7.997 -3.806 1.414
30 H VAL 7 H VAL 7 4.954 -5.985 3.313
31 HA VAL 7 HA VAL 7 2.460 -7.306 3.193
32 HB VAL 7 HB VAL 7 3.710 -6.333 5.751
33 1HG1 VAL 7 1HG1 VAL 7 2.699 -8.259 6.733
34 2HG1 VAL 7 2HG1 VAL 7 2.240 -8.893 5.153
35 3HG1 VAL 7 3HG1 VAL 7 1.471 -7.432 5.774
36 1HG2 VAL 7 1HG2 VAL 7 5.354 -7.473 4.107
37 2HG2 VAL 7 2HG2 VAL 7 4.472 -8.950 4.495
38 3HG2 VAL 7 3HG2 VAL 7 5.289 -8.047 5.772
39 H CYS 8 H CYS 8 3.446 -4.367 4.895
40 HA CYS 8 HA CYS 8 0.901 -3.632 5.799
41 1HB CYS 8 2HB CYS 8 3.107 -2.751 6.616
42 2HB CYS 8 1HB CYS 8 3.179 -1.755 5.169
43 H HIS 9 H HIS 9 2.599 -2.879 2.805
44 HA HIS 9 HA HIS 9 0.873 -0.897 1.838
45 1HB HIS 9 2HB HIS 9 3.173 -1.695 0.936
46 2HB HIS 9 1HB HIS 9 2.230 -2.863 0.017
47 HD1 HIS 9 1HD HIS 9 3.109 -1.609 -2.155
48 HD2 HIS 9 2HD HIS 9 0.653 0.639 0.325
49 HE1 HIS 9 1HE HIS 9 2.387 0.368 -3.532
50 HE2 HIS 9 2HE HIS 9 0.732 1.597 -2.075
51 H LEU 10 H LEU 10 0.841 -4.417 1.225
52 HA LEU 10 HA LEU 10 -1.571 -4.232 -0.329
53 1HB LEU 10 2HB LEU 10 0.186 -6.466 0.584
54 2HB LEU 10 1HB LEU 10 -1.422 -6.834 -0.007
55 HG LEU 10 HG LEU 10 -0.852 -5.697 -2.148
56 1HD1 LEU 10 1HD1 LEU 10 2.002 -5.836 -1.884
57 2HD1 LEU 10 2HD1 LEU 10 1.329 -4.717 -0.698
58 3HD1 LEU 10 3HD1 LEU 10 0.989 -4.494 -2.414
59 1HD2 LEU 10 1HD2 LEU 10 0.428 -8.143 -1.118
60 2HD2 LEU 10 2HD2 LEU 10 1.075 -7.502 -2.628
61 3HD2 LEU 10 3HD2 LEU 10 -0.635 -7.912 -2.505
62 H GLU 11 H GLU 11 -0.779 -5.613 2.847
63 HA GLU 11 HA GLU 11 -3.313 -6.535 3.541
64 1HB GLU 11 2HB GLU 11 -1.226 -7.076 4.748
65 2HB GLU 11 1HB GLU 11 -1.160 -5.430 5.358
66 1HG GLU 11 2HG GLU 11 -2.002 -6.708 7.118
67 2HG GLU 11 1HG GLU 11 -3.405 -5.891 6.434
68 H HIS 12 H HIS 12 -2.042 -3.289 3.538
69 HA HIS 12 HA HIS 12 -4.635 -2.361 4.568
70 1HB HIS 12 2HB HIS 12 -2.035 -0.993 5.245
71 2HB HIS 12 1HB HIS 12 -3.621 -0.702 5.939
72 HD1 HIS 12 1HD HIS 12 -4.614 -2.888 7.304
73 HD2 HIS 12 2HD HIS 12 -0.494 -2.712 6.732
74 HE1 HIS 12 1HE HIS 12 -3.629 -4.444 9.010
75 HE2 HIS 12 2HE HIS 12 -1.168 -4.480 8.491
76 H SER 13 H SER 13 -4.115 -2.568 1.870
77 HA SER 13 HA SER 13 -2.994 -0.290 0.663
78 1HB SER 13 2HB SER 13 -5.222 -2.074 -0.351
79 2HB SER 13 1HB SER 13 -4.295 -0.941 -1.334
80 HG SER 13 HG SER 13 -2.536 -2.419 -0.066
81 H ASN 14 H ASN 14 -6.029 -0.804 2.212
82 HA ASN 14 HA ASN 14 -7.538 1.267 1.062
83 1HB ASN 14 2HB ASN 14 -9.028 1.026 2.956
84 2HB ASN 14 1HB ASN 14 -8.496 -0.567 2.431
85 1HD2 ASN 14 1HD2 ASN 14 -9.210 1.104 5.060
86 2HD2 ASN 14 2HD2 ASN 14 -8.140 0.387 6.210
87 H LEU 15 H LEU 15 -5.154 1.276 3.659
88 HA LEU 15 HA LEU 15 -5.669 4.155 4.043
89 1HB LEU 15 2HB LEU 15 -4.192 2.200 5.811
90 2HB LEU 15 1HB LEU 15 -4.396 3.908 6.149
91 HG LEU 15 HG LEU 15 -6.651 1.909 5.943
92 1HD1 LEU 15 1HD1 LEU 15 -4.826 2.478 8.071
93 2HD1 LEU 15 2HD1 LEU 15 -6.167 1.333 8.027
94 3HD1 LEU 15 3HD1 LEU 15 -6.448 3.001 8.525
95 1HD2 LEU 15 1HD2 LEU 15 -6.956 4.555 7.239
96 2HD2 LEU 15 2HD2 LEU 15 -8.118 3.600 6.319
97 3HD2 LEU 15 3HD2 LEU 15 -6.876 4.526 5.479
98 H CYS 16 H CYS 16 -3.139 1.768 3.582
99 HA CYS 16 HA CYS 16 -1.166 3.835 3.084
100 1HB CYS 16 2HB CYS 16 -1.094 0.956 3.760
101 2HB CYS 16 1HB CYS 16 0.215 1.560 2.748
102 H GLY 17 H GLY 17 -3.015 3.943 1.132
103 1HA GLY 17 2HA GLY 17 -2.621 2.294 -1.107
104 2HA GLY 17 1HA GLY 17 -3.202 3.954 -1.171
105 H GLY 18 H GLY 18 -1.127 5.418 -0.318
106 1HA GLY 18 2HA GLY 18 0.695 5.302 -2.542
107 2HA GLY 18 1HA GLY 18 0.707 6.485 -1.241
108 H ALA 19 H ALA 19 2.829 4.735 -2.554
109 HA ALA 19 HA ALA 19 3.737 2.814 -0.731
110 1HB ALA 19 1HB ALA 19 5.707 2.727 -1.975
111 2HB ALA 19 2HB ALA 19 5.597 4.426 -2.438
112 3HB ALA 19 3HB ALA 19 4.489 3.247 -3.142
113 H ALA 20 H ALA 20 4.325 6.260 -0.910
114 HA ALA 20 HA ALA 20 5.989 6.126 1.499
115 1HB ALA 20 1HB ALA 20 7.215 7.700 0.526
116 2HB ALA 20 2HB ALA 20 5.820 8.777 0.487
117 3HB ALA 20 3HB ALA 20 6.131 7.688 -0.864
118 H GLY 21 H GLY 21 3.148 5.719 1.557
119 1HA GLY 21 2HA GLY 21 1.689 7.989 2.319
120 2HA GLY 21 1HA GLY 21 1.308 6.338 2.780
121 H GLY 22 H GLY 22 3.502 5.694 4.358
122 1HA GLY 22 2HA GLY 22 4.077 7.709 6.281
123 2HA GLY 22 1HA GLY 22 2.769 6.677 6.837
Start of MODEL 19
1 1H GLY 1 H GLY 1 4.522 5.234 5.986
2 1HA GLY 1 2HA GLY 1 7.144 4.887 5.751
3 2HA GLY 1 1HA GLY 1 6.967 4.745 7.491
4 H CYS 2 H CYS 2 4.503 3.419 7.539
5 HA CYS 2 HA CYS 2 5.289 0.749 7.406
6 1HB CYS 2 2HB CYS 2 3.363 1.811 8.715
7 2HB CYS 2 1HB CYS 2 2.422 1.668 7.239
8 H CYS 3 H CYS 3 3.514 2.702 5.078
9 HA CYS 3 HA CYS 3 2.686 0.695 3.336
10 1HB CYS 3 2HB CYS 3 3.458 3.496 2.540
11 2HB CYS 3 1HB CYS 3 2.325 2.429 1.724
12 H SER 4 H SER 4 5.861 1.877 3.877
13 HA SER 4 HA SER 4 6.979 1.369 1.321
14 1HB SER 4 2HB SER 4 8.448 1.203 3.956
15 2HB SER 4 1HB SER 4 9.100 1.641 2.375
16 HG SER 4 HG SER 4 7.910 3.200 4.241
17 H ASN 5 H ASN 5 6.065 -0.617 3.991
18 HA ASN 5 HA ASN 5 7.627 -2.899 3.102
19 1HB ASN 5 2HB ASN 5 5.522 -2.709 5.277
20 2HB ASN 5 1HB ASN 5 6.590 -4.078 4.993
21 1HD2 ASN 5 1HD2 ASN 5 8.281 -4.174 6.278
22 2HD2 ASN 5 2HD2 ASN 5 9.048 -2.839 7.055
23 HA PRO 6 HA PRO 6 4.659 -4.186 0.068
24 1HB PRO 6 2HB PRO 6 5.711 -6.867 0.851
25 2HB PRO 6 1HB PRO 6 5.514 -6.159 -0.758
26 1HG PRO 6 2HG PRO 6 7.918 -6.297 0.363
27 2HG PRO 6 1HG PRO 6 7.436 -4.868 -0.570
28 1HD PRO 6 2HD PRO 6 7.657 -5.221 2.383
29 2HD PRO 6 1HD PRO 6 7.990 -3.791 1.387
30 H VAL 7 H VAL 7 4.911 -6.000 3.118
31 HA VAL 7 HA VAL 7 2.410 -7.286 2.934
32 HB VAL 7 HB VAL 7 3.728 -6.484 5.524
33 1HG1 VAL 7 1HG1 VAL 7 2.463 -9.124 5.180
34 2HG1 VAL 7 2HG1 VAL 7 1.377 -7.734 5.126
35 3HG1 VAL 7 3HG1 VAL 7 2.404 -7.998 6.536
36 1HG2 VAL 7 1HG2 VAL 7 4.801 -8.832 5.300
37 2HG2 VAL 7 2HG2 VAL 7 5.535 -7.476 4.445
38 3HG2 VAL 7 3HG2 VAL 7 4.515 -8.621 3.572
39 H CYS 8 H CYS 8 3.420 -4.469 4.823
40 HA CYS 8 HA CYS 8 0.884 -3.777 5.774
41 1HB CYS 8 2HB CYS 8 3.030 -2.940 6.701
42 2HB CYS 8 1HB CYS 8 3.220 -1.924 5.277
43 H HIS 9 H HIS 9 2.600 -2.796 2.849
44 HA HIS 9 HA HIS 9 0.864 -0.762 2.026
45 1HB HIS 9 2HB HIS 9 3.158 -1.451 1.063
46 2HB HIS 9 1HB HIS 9 2.245 -2.600 0.087
47 HD1 HIS 9 1HD HIS 9 3.016 -1.252 -2.048
48 HD2 HIS 9 2HD HIS 9 0.634 0.879 0.604
49 HE1 HIS 9 1HE HIS 9 2.238 0.774 -3.319
50 HE2 HIS 9 2HE HIS 9 0.610 1.914 -1.764
51 H LEU 10 H LEU 10 0.831 -4.233 1.226
52 HA LEU 10 HA LEU 10 -1.567 -3.966 -0.338
53 1HB LEU 10 2HB LEU 10 0.204 -6.233 0.443
54 2HB LEU 10 1HB LEU 10 -1.411 -6.589 -0.134
55 HG LEU 10 HG LEU 10 0.146 -6.768 -1.963
56 1HD1 LEU 10 1HD1 LEU 10 -1.373 -5.934 -3.340
57 2HD1 LEU 10 2HD1 LEU 10 -0.912 -4.283 -2.926
58 3HD1 LEU 10 3HD1 LEU 10 -2.121 -5.130 -1.960
59 1HD2 LEU 10 1HD2 LEU 10 0.846 -3.866 -1.718
60 2HD2 LEU 10 2HD2 LEU 10 1.655 -5.131 -2.641
61 3HD2 LEU 10 3HD2 LEU 10 1.782 -5.105 -0.883
62 H GLU 11 H GLU 11 -0.792 -5.446 2.805
63 HA GLU 11 HA GLU 11 -3.333 -6.430 3.415
64 1HB GLU 11 2HB GLU 11 -1.328 -7.009 4.691
65 2HB GLU 11 1HB GLU 11 -1.205 -5.357 5.279
66 1HG GLU 11 2HG GLU 11 -3.603 -5.817 6.200
67 2HG GLU 11 1HG GLU 11 -3.116 -7.505 6.047
68 H HIS 12 H HIS 12 -1.898 -3.262 4.066
69 HA HIS 12 HA HIS 12 -4.542 -2.305 4.941
70 1HB HIS 12 2HB HIS 12 -1.900 -0.887 5.313
71 2HB HIS 12 1HB HIS 12 -3.428 -0.524 6.093
72 HD1 HIS 12 1HD HIS 12 -4.259 -2.285 7.912
73 HD2 HIS 12 2HD HIS 12 -0.343 -2.778 6.614
74 HE1 HIS 12 1HE HIS 12 -3.185 -3.812 9.585
75 HE2 HIS 12 2HE HIS 12 -0.953 -4.361 8.560
76 H SER 13 H SER 13 -4.153 -2.727 2.242
77 HA SER 13 HA SER 13 -3.173 -0.602 0.742
78 1HB SER 13 2HB SER 13 -3.878 -2.821 -0.170
79 2HB SER 13 1HB SER 13 -5.559 -2.329 0.040
80 HG SER 13 HG SER 13 -4.723 -0.397 -1.292
81 H ASN 14 H ASN 14 -6.166 -0.938 2.482
82 HA ASN 14 HA ASN 14 -7.668 1.101 1.289
83 1HB ASN 14 2HB ASN 14 -7.704 0.234 4.192
84 2HB ASN 14 1HB ASN 14 -8.969 1.139 3.368
85 1HD2 ASN 14 1HD2 ASN 14 -10.628 -0.030 2.747
86 2HD2 ASN 14 2HD2 ASN 14 -10.598 -1.708 2.341
87 H LEU 15 H LEU 15 -5.221 1.193 3.841
88 HA LEU 15 HA LEU 15 -5.591 4.071 4.152
89 1HB LEU 15 2HB LEU 15 -3.746 2.127 5.547
90 2HB LEU 15 1HB LEU 15 -3.790 3.846 5.878
91 HG LEU 15 HG LEU 15 -6.274 3.471 6.461
92 1HD1 LEU 15 1HD1 LEU 15 -7.083 1.425 6.194
93 2HD1 LEU 15 2HD1 LEU 15 -6.009 0.882 7.484
94 3HD1 LEU 15 3HD1 LEU 15 -5.485 0.792 5.801
95 1HD2 LEU 15 1HD2 LEU 15 -4.227 3.838 7.994
96 2HD2 LEU 15 2HD2 LEU 15 -4.397 2.120 8.356
97 3HD2 LEU 15 3HD2 LEU 15 -5.725 3.229 8.697
98 H CYS 16 H CYS 16 -3.118 1.758 3.180
99 HA CYS 16 HA CYS 16 -1.284 3.813 2.346
100 1HB CYS 16 2HB CYS 16 -1.253 0.807 2.225
101 2HB CYS 16 1HB CYS 16 0.021 1.790 1.511
102 H GLY 17 H GLY 17 -3.777 3.959 0.977
103 1HA GLY 17 2HA GLY 17 -3.570 2.773 -1.614
104 2HA GLY 17 1HA GLY 17 -4.655 4.080 -1.154
105 H GLY 18 H GLY 18 -3.152 6.125 -0.499
106 1HA GLY 18 2HA GLY 18 -0.812 6.633 -1.923
107 2HA GLY 18 1HA GLY 18 -2.156 7.088 -2.960
108 H ALA 19 H ALA 19 -2.025 7.354 0.553
109 HA ALA 19 HA ALA 19 -1.432 10.154 0.553
110 1HB ALA 19 1HB ALA 19 -4.231 9.468 1.410
111 2HB ALA 19 2HB ALA 19 -3.859 9.996 -0.231
112 3HB ALA 19 3HB ALA 19 -3.522 11.060 1.134
113 H ALA 20 H ALA 20 -0.274 8.001 1.826
114 HA ALA 20 HA ALA 20 -0.453 8.826 4.573
115 1HB ALA 20 1HB ALA 20 -2.155 7.327 4.935
116 2HB ALA 20 2HB ALA 20 -0.753 6.300 5.238
117 3HB ALA 20 3HB ALA 20 -1.589 6.215 3.688
118 H GLY 21 H GLY 21 1.654 9.166 3.028
119 1HA GLY 21 2HA GLY 21 3.473 6.956 2.971
120 2HA GLY 21 1HA GLY 21 3.861 8.633 2.625
121 H GLY 22 H GLY 22 2.665 6.968 5.540
122 1HA GLY 22 2HA GLY 22 4.330 8.527 7.262
123 2HA GLY 22 1HA GLY 22 3.351 7.147 7.733
Start of MODEL 20
1 1H GLY 1 H GLY 1 5.709 5.499 6.032
2 1HA GLY 1 2HA GLY 1 7.155 3.822 6.687
3 2HA GLY 1 1HA GLY 1 6.245 3.669 8.178
4 H CYS 2 H CYS 2 3.811 2.958 7.413
5 HA CYS 2 HA CYS 2 3.909 0.227 6.983
6 1HB CYS 2 2HB CYS 2 1.964 1.382 7.906
7 2HB CYS 2 1HB CYS 2 1.665 2.159 6.362
8 H CYS 3 H CYS 3 3.305 2.791 4.655
9 HA CYS 3 HA CYS 3 2.763 1.250 2.407
10 1HB CYS 3 2HB CYS 3 4.186 3.907 2.374
11 2HB CYS 3 1HB CYS 3 3.139 3.230 1.130
12 H SER 4 H SER 4 5.828 2.004 3.891
13 HA SER 4 HA SER 4 7.463 1.409 1.644
14 1HB SER 4 2HB SER 4 8.223 2.764 3.589
15 2HB SER 4 1HB SER 4 8.191 1.309 4.582
16 HG SER 4 HG SER 4 9.600 0.712 2.450
17 H ASN 5 H ASN 5 5.948 -0.510 4.124
18 HA ASN 5 HA ASN 5 7.505 -2.870 3.437
19 1HB ASN 5 2HB ASN 5 5.292 -2.392 5.438
20 2HB ASN 5 1HB ASN 5 5.974 -3.983 5.131
21 1HD2 ASN 5 1HD2 ASN 5 8.439 -1.850 4.708
22 2HD2 ASN 5 2HD2 ASN 5 9.107 -1.875 6.299
23 HA PRO 6 HA PRO 6 4.754 -3.995 0.137
24 1HB PRO 6 2HB PRO 6 5.397 -6.701 0.195
25 2HB PRO 6 1HB PRO 6 6.259 -5.461 -0.719
26 1HG PRO 6 2HG PRO 6 6.917 -6.669 1.929
27 2HG PRO 6 1HG PRO 6 8.002 -6.185 0.613
28 1HD PRO 6 2HD PRO 6 7.724 -4.688 2.818
29 2HD PRO 6 1HD PRO 6 7.938 -3.946 1.218
30 H VAL 7 H VAL 7 4.932 -6.108 3.001
31 HA VAL 7 HA VAL 7 2.410 -7.322 2.656
32 HB VAL 7 HB VAL 7 3.677 -6.826 5.342
33 1HG1 VAL 7 1HG1 VAL 7 2.258 -8.356 6.129
34 2HG1 VAL 7 2HG1 VAL 7 2.524 -9.440 4.765
35 3HG1 VAL 7 3HG1 VAL 7 1.368 -8.116 4.626
36 1HG2 VAL 7 1HG2 VAL 7 4.503 -8.791 3.219
37 2HG2 VAL 7 2HG2 VAL 7 4.840 -9.061 4.929
38 3HG2 VAL 7 3HG2 VAL 7 5.509 -7.648 4.110
39 H CYS 8 H CYS 8 3.471 -4.651 4.713
40 HA CYS 8 HA CYS 8 0.987 -4.036 5.828
41 1HB CYS 8 2HB CYS 8 3.392 -3.215 6.431
42 2HB CYS 8 1HB CYS 8 3.039 -1.912 5.302
43 H HIS 9 H HIS 9 2.542 -2.857 2.868
44 HA HIS 9 HA HIS 9 0.653 -0.872 2.237
45 1HB HIS 9 2HB HIS 9 2.934 -1.228 1.171
46 2HB HIS 9 1HB HIS 9 2.182 -2.504 0.217
47 HD1 HIS 9 1HD HIS 9 -0.296 -1.364 -0.875
48 HD2 HIS 9 2HD HIS 9 3.093 0.987 -0.354
49 HE1 HIS 9 1HE HIS 9 -0.580 0.582 -2.439
50 HE2 HIS 9 2HE HIS 9 1.391 2.076 -1.973
51 H LEU 10 H LEU 10 0.835 -4.292 1.284
52 HA LEU 10 HA LEU 10 -1.536 -4.163 -0.308
53 1HB LEU 10 2HB LEU 10 0.297 -6.315 0.604
54 2HB LEU 10 1HB LEU 10 -1.311 -6.789 0.096
55 HG LEU 10 HG LEU 10 0.254 -7.014 -1.744
56 1HD1 LEU 10 1HD1 LEU 10 -2.066 -5.280 -1.809
57 2HD1 LEU 10 2HD1 LEU 10 -1.571 -6.554 -2.925
58 3HD1 LEU 10 3HD1 LEU 10 -0.927 -4.921 -3.107
59 1HD2 LEU 10 1HD2 LEU 10 1.736 -5.105 -0.836
60 2HD2 LEU 10 2HD2 LEU 10 0.685 -4.052 -1.784
61 3HD2 LEU 10 3HD2 LEU 10 1.608 -5.327 -2.581
62 H GLU 11 H GLU 11 -0.841 -5.526 2.900
63 HA GLU 11 HA GLU 11 -3.428 -6.452 3.466
64 1HB GLU 11 2HB GLU 11 -1.464 -7.138 4.742
65 2HB GLU 11 1HB GLU 11 -1.241 -5.498 5.327
66 1HG GLU 11 2HG GLU 11 -3.402 -5.660 6.504
67 2HG GLU 11 1HG GLU 11 -3.534 -7.337 5.970
68 H HIS 12 H HIS 12 -1.864 -3.354 4.115
69 HA HIS 12 HA HIS 12 -4.451 -2.268 4.999
70 1HB HIS 12 2HB HIS 12 -1.727 -1.003 5.347
71 2HB HIS 12 1HB HIS 12 -3.230 -0.530 6.125
72 HD1 HIS 12 1HD HIS 12 -4.120 -2.095 8.036
73 HD2 HIS 12 2HD HIS 12 -0.371 -3.123 6.570
74 HE1 HIS 12 1HE HIS 12 -3.198 -3.767 9.662
75 HE2 HIS 12 2HE HIS 12 -1.115 -4.623 8.534
76 H SER 13 H SER 13 -4.257 -2.716 2.364
77 HA SER 13 HA SER 13 -3.162 -0.749 0.734
78 1HB SER 13 2HB SER 13 -5.268 -1.479 -0.732
79 2HB SER 13 1HB SER 13 -3.892 -2.557 -0.479
80 HG SER 13 HG SER 13 -5.122 -3.846 0.634
81 H ASN 14 H ASN 14 -6.188 -0.830 2.490
82 HA ASN 14 HA ASN 14 -7.404 1.419 1.320
83 1HB ASN 14 2HB ASN 14 -7.744 0.169 4.050
84 2HB ASN 14 1HB ASN 14 -8.742 1.493 3.460
85 1HD2 ASN 14 1HD2 ASN 14 -8.680 -1.728 3.860
86 2HD2 ASN 14 2HD2 ASN 14 -9.755 -2.212 2.601
87 H LEU 15 H LEU 15 -4.973 1.101 3.825
88 HA LEU 15 HA LEU 15 -5.211 3.875 4.624
89 1HB LEU 15 2HB LEU 15 -3.147 1.791 5.342
90 2HB LEU 15 1HB LEU 15 -3.272 3.382 6.066
91 HG LEU 15 HG LEU 15 -5.347 1.196 6.265
92 1HD1 LEU 15 1HD1 LEU 15 -3.395 2.281 8.290
93 2HD1 LEU 15 2HD1 LEU 15 -3.366 0.676 7.557
94 3HD1 LEU 15 3HD1 LEU 15 -4.689 1.131 8.631
95 1HD2 LEU 15 1HD2 LEU 15 -6.650 3.052 6.503
96 2HD2 LEU 15 2HD2 LEU 15 -5.312 4.058 7.056
97 3HD2 LEU 15 3HD2 LEU 15 -6.062 2.905 8.159
98 H CYS 16 H CYS 16 -2.738 1.864 3.052
99 HA CYS 16 HA CYS 16 -1.310 4.247 2.198
100 1HB CYS 16 2HB CYS 16 -0.704 1.307 2.086
101 2HB CYS 16 1HB CYS 16 0.253 2.471 1.176
102 H GLY 17 H GLY 17 -3.799 4.131 1.060
103 1HA GLY 17 2HA GLY 17 -3.806 2.890 -1.504
104 2HA GLY 17 1HA GLY 17 -4.904 4.152 -0.962
105 H GLY 18 H GLY 18 -3.265 6.244 -0.462
106 1HA GLY 18 2HA GLY 18 -1.260 6.758 -2.354
107 2HA GLY 18 1HA GLY 18 -2.795 7.301 -3.020
108 H ALA 19 H ALA 19 -0.249 8.607 -1.884
109 HA ALA 19 HA ALA 19 0.333 10.514 -0.809
110 1HB ALA 19 1HB ALA 19 -2.586 11.047 -1.277
111 2HB ALA 19 2HB ALA 19 -1.196 11.677 -2.161
112 3HB ALA 19 3HB ALA 19 -1.522 12.229 -0.518
113 H ALA 20 H ALA 20 -0.035 8.304 0.812
114 HA ALA 20 HA ALA 20 -0.605 9.611 3.349
115 1HB ALA 20 1HB ALA 20 -2.462 7.837 2.157
116 2HB ALA 20 2HB ALA 20 -2.517 8.559 3.765
117 3HB ALA 20 3HB ALA 20 -1.732 6.998 3.527
118 H GLY 21 H GLY 21 1.856 9.096 2.454
119 1HA GLY 21 2HA GLY 21 2.848 6.509 3.114
120 2HA GLY 21 1HA GLY 21 3.813 7.952 2.845
121 H GLY 22 H GLY 22 3.261 5.669 5.038
122 1HA GLY 22 2HA GLY 22 4.199 7.355 7.210
123 2HA GLY 22 1HA GLY 22 2.642 6.583 7.468