NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620338 |
5ug5   |
30226 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ILE 1 HT1 ILE 1 5.931 1.566 -6.949
2 H2 ILE 1 HT2 ILE 1 5.800 2.906 -5.934
3 H3 ILE 1 HT3 ILE 1 4.531 2.515 -6.979
4 HA ILE 1 HA ILE 1 4.022 1.882 -4.718
5 HB ILE 1 HB ILE 1 3.533 -0.526 -5.100
6 HG12 ILE 1 HG12 ILE 1 4.976 -0.109 -7.728
7 HG13 ILE 1 HG11 ILE 1 5.607 -1.042 -6.375
8 HG21 ILE 1 HG21 ILE 1 1.995 1.161 -5.897
9 HG22 ILE 1 HG22 ILE 1 2.063 -0.177 -7.043
10 HG23 ILE 1 HG23 ILE 1 2.913 1.327 -7.393
11 HD11 ILE 1 HD11 ILE 1 4.662 -2.483 -8.084
12 HD12 ILE 1 HD12 ILE 1 3.107 -1.664 -7.932
13 HD13 ILE 1 HD13 ILE 1 3.747 -2.602 -6.582
14 H ARG 2 HN ARG 2 4.604 0.919 -2.813
15 HA ARG 2 HA ARG 2 7.414 0.425 -2.445
16 HB2 ARG 2 HB2 ARG 2 5.092 0.314 -0.514
17 HB3 ARG 2 HB1 ARG 2 6.777 0.120 -0.054
18 HG2 ARG 2 HG2 ARG 2 5.594 2.581 -1.323
19 HG3 ARG 2 HG1 ARG 2 5.936 2.376 0.395
20 HD2 ARG 2 HD2 ARG 2 7.968 2.289 -1.833
21 HD3 ARG 2 HD1 ARG 2 7.698 3.644 -0.742
22 HE ARG 2 HE ARG 2 8.446 1.052 0.397
23 HH11 ARG 2 HH11 ARG 2 9.311 4.349 -0.391
24 HH12 ARG 2 HH12 ARG 2 10.693 4.372 0.653
25 HH21 ARG 2 HH21 ARG 2 10.263 1.075 1.779
26 HH22 ARG 2 HH22 ARG 2 11.239 2.505 1.884
27 H ASP 3 HN ASP 3 8.305 -1.485 -1.533
28 HA ASP 3 HA ASP 3 7.003 -3.886 -2.480
29 HB2 ASP 3 HB2 ASP 3 9.373 -3.607 -2.985
30 HB3 ASP 3 HB1 ASP 3 9.735 -3.456 -1.272
31 H GLU 4 HN GLU 4 7.014 -2.112 0.104
32 HA GLU 4 HA GLU 4 6.152 -4.263 1.905
33 HB2 GLU 4 HB2 GLU 4 7.429 -1.608 2.431
34 HB3 GLU 4 HB1 GLU 4 6.383 -2.338 3.631
35 HG2 GLU 4 HG2 GLU 4 8.871 -3.565 2.475
36 HG3 GLU 4 HG1 GLU 4 8.712 -2.849 4.079
37 H CYS 5 HN CYS 5 4.660 -3.114 -0.206
38 HA CYS 5 HA CYS 5 3.193 -0.859 0.293
39 HB2 CYS 5 HB2 CYS 5 3.315 -2.926 -1.634
40 HB3 CYS 5 HB1 CYS 5 1.633 -2.697 -1.208
41 H CYS 6 HN CYS 6 2.568 -4.130 1.441
42 HA CYS 6 HA CYS 6 -0.157 -3.485 2.283
43 HB2 CYS 6 HB2 CYS 6 0.523 -5.742 1.405
44 HB3 CYS 6 HB1 CYS 6 1.519 -5.961 2.834
45 H SER 7 HN SER 7 3.049 -3.592 3.683
46 HA SER 7 HA SER 7 2.133 -3.246 6.386
47 HB2 SER 7 HB2 SER 7 4.807 -2.357 5.404
48 HB3 SER 7 HB1 SER 7 4.381 -3.113 6.934
49 HG SER 7 HG SER 7 5.544 -4.442 5.267
50 H ASN 8 HN ASN 8 2.884 -1.338 3.616
51 HA ASN 8 HA ASN 8 3.527 1.042 5.050
52 HB2 ASN 8 HB2 ASN 8 4.608 0.445 2.907
53 HB3 ASN 8 HB1 ASN 8 3.052 0.598 2.096
54 HD21 ASN 8 HD21 ASN 8 4.414 2.691 4.604
55 HD22 ASN 8 HD22 ASN 8 4.509 4.106 3.610
56 HA PRO 9 HA PRO 9 -0.853 2.187 5.449
57 HB2 PRO 9 HB2 PRO 9 0.566 4.647 6.343
58 HB3 PRO 9 HB1 PRO 9 -0.779 3.804 7.117
59 HG2 PRO 9 HG2 PRO 9 1.627 3.610 8.093
60 HG3 PRO 9 HG1 PRO 9 0.657 2.128 7.923
61 HD2 PRO 9 HD2 PRO 9 2.851 3.180 6.167
62 HD3 PRO 9 HD1 PRO 9 2.572 1.544 6.761
63 H ALA 10 HN ALA 10 1.721 3.973 3.902
64 HA ALA 10 HA ALA 10 0.022 5.886 2.624
65 HB1 ALA 10 HB1 ALA 10 2.035 6.598 1.451
66 HB2 ALA 10 HB2 ALA 10 2.895 5.180 2.053
67 HB3 ALA 10 HB3 ALA 10 2.334 6.417 3.178
68 H CYS 11 HN CYS 11 0.866 2.620 1.875
69 HA CYS 11 HA CYS 11 0.395 3.059 -0.991
70 HB2 CYS 11 HB2 CYS 11 2.288 1.572 -0.555
71 HB3 CYS 11 HB1 CYS 11 1.296 0.583 0.514
72 H ARG 12 HN ARG 12 -0.435 1.200 1.786
73 HA ARG 12 HA ARG 12 -2.760 0.057 1.359
74 HB2 ARG 12 HB2 ARG 12 -1.441 1.394 3.554
75 HB3 ARG 12 HB1 ARG 12 -3.173 1.395 3.714
76 HG2 ARG 12 HG2 ARG 12 -2.026 -0.494 4.848
77 HG3 ARG 12 HG1 ARG 12 -3.252 -0.975 3.691
78 HD2 ARG 12 HD2 ARG 12 -0.492 -0.752 2.705
79 HD3 ARG 12 HD1 ARG 12 -0.907 -2.124 3.744
80 HE ARG 12 HE ARG 12 -1.849 -1.626 1.064
81 HH11 ARG 12 HH11 ARG 12 -2.306 -3.378 4.054
82 HH12 ARG 12 HH12 ARG 12 -3.390 -4.543 3.362
83 HH21 ARG 12 HH21 ARG 12 -3.336 -3.131 0.158
84 HH22 ARG 12 HH22 ARG 12 -3.975 -4.408 1.165
85 H TYR 13 HN TYR 13 -2.239 3.455 1.784
86 HA TYR 13 HA TYR 13 -4.639 4.534 2.328
87 HB2 TYR 13 HB2 TYR 13 -2.327 5.568 1.947
88 HB3 TYR 13 HB1 TYR 13 -2.816 5.734 0.275
89 HD1 TYR 13 HD1 TYR 13 -3.602 6.758 3.740
90 HD2 TYR 13 HD2 TYR 13 -4.199 7.466 -0.385
91 HE1 TYR 13 HE1 TYR 13 -4.742 8.868 4.271
92 HE2 TYR 13 HE2 TYR 13 -5.326 9.562 0.123
93 HH TYR 13 HH TYR 13 -6.558 10.588 1.962
94 H ASN 14 HN ASN 14 -3.471 3.752 -0.953
95 HA ASN 14 HA ASN 14 -6.205 4.377 -1.920
96 HB2 ASN 14 HB2 ASN 14 -4.170 5.827 -2.704
97 HB3 ASN 14 HB1 ASN 14 -3.783 4.435 -3.708
98 HD21 ASN 14 HD21 ASN 14 -4.510 7.093 -4.540
99 HD22 ASN 14 HD22 ASN 14 -5.943 6.944 -5.494
100 H ASN 15 HN ASN 15 -4.573 1.919 -0.958
101 HA ASN 15 HA ASN 15 -5.214 0.167 -3.197
102 HB2 ASN 15 HB2 ASN 15 -2.542 0.683 -2.003
103 HB3 ASN 15 HB1 ASN 15 -2.858 -0.833 -2.854
104 HD21 ASN 15 HD21 ASN 15 -2.138 2.491 -3.112
105 HD22 ASN 15 HD22 ASN 15 -2.103 2.598 -4.838
106 HA HYP 16 HA HYP 16 -5.865 -1.784 0.965
107 HB2 HYP 16 HB1 HYP 16 -7.576 -0.541 1.753
108 HB3 HYP 16 HB2 HYP 16 -8.676 -1.436 0.704
109 HG HYP 16 HG HYP 16 -8.993 0.641 -0.254
110 HD22 HYP 16 HD22 HYP 16 -7.915 -0.528 -2.018
111 HD23 HYP 16 HD23 HYP 16 -6.904 0.920 -1.891
112 HD1 HYP 16 HD1 HYP 16 -6.303 1.437 0.120
113 H HIS 17 HN HIS 17 -6.901 -2.331 -2.132
114 HA HIS 17 HA HIS 17 -7.739 -5.087 -1.509
115 HB2 HIS 17 HB2 HIS 17 -8.294 -3.400 -3.956
116 HB3 HIS 17 HB1 HIS 17 -8.655 -5.119 -3.858
117 HD1 HIS 17 HD1 HIS 17 -10.362 -2.096 -3.660
118 HD2 HIS 17 HD2 HIS 17 -10.312 -5.477 -1.247
119 HE1 HIS 17 HE1 HIS 17 -12.507 -2.025 -2.355
120 HE2 HIS 17 HE2 HIS 17 -12.380 -3.999 -0.793
121 H VAL 18 HN VAL 18 -5.075 -3.501 -2.131
122 HA VAL 18 HA VAL 18 -3.869 -5.138 -4.142
123 HB VAL 18 HB VAL 18 -3.035 -2.922 -2.341
124 HG11 VAL 18 HG11 VAL 18 -1.060 -4.589 -3.870
125 HG12 VAL 18 HG12 VAL 18 -1.225 -4.533 -2.118
126 HG13 VAL 18 HG13 VAL 18 -0.722 -3.094 -3.001
127 HG21 VAL 18 HG21 VAL 18 -2.359 -1.886 -4.422
128 HG22 VAL 18 HG22 VAL 18 -4.024 -2.463 -4.518
129 HG23 VAL 18 HG23 VAL 18 -2.729 -3.374 -5.296
130 H CYS 19 HN CYS 19 -4.459 -5.229 -0.832
131 HA CYS 19 HA CYS 19 -3.372 -7.831 -0.475
132 HB2 CYS 19 HB2 CYS 19 -1.276 -6.658 -0.189
133 HB3 CYS 19 HB1 CYS 19 -2.024 -5.491 0.895
Start of MODEL 2
1 H1 ILE 1 HT1 ILE 1 5.716 1.767 -7.889
2 H2 ILE 1 HT2 ILE 1 5.772 3.161 -6.937
3 H3 ILE 1 HT3 ILE 1 4.495 2.927 -8.017
4 HA ILE 1 HA ILE 1 3.809 2.495 -5.749
5 HB ILE 1 HB ILE 1 3.977 -0.120 -7.255
6 HG12 ILE 1 HG12 ILE 1 1.588 0.749 -8.015
7 HG13 ILE 1 HG11 ILE 1 2.345 2.323 -7.790
8 HG21 ILE 1 HG21 ILE 1 3.115 -0.284 -4.984
9 HG22 ILE 1 HG22 ILE 1 1.847 -0.604 -6.167
10 HG23 ILE 1 HG23 ILE 1 1.911 0.953 -5.343
11 HD11 ILE 1 HD11 ILE 1 3.295 0.125 -9.610
12 HD12 ILE 1 HD12 ILE 1 4.117 1.664 -9.356
13 HD13 ILE 1 HD13 ILE 1 2.514 1.630 -10.089
14 H ARG 2 HN ARG 2 4.219 1.588 -3.778
15 HA ARG 2 HA ARG 2 6.881 0.657 -3.271
16 HB2 ARG 2 HB2 ARG 2 4.505 0.683 -1.405
17 HB3 ARG 2 HB1 ARG 2 6.172 0.445 -0.936
18 HG2 ARG 2 HG2 ARG 2 5.748 2.648 -0.353
19 HG3 ARG 2 HG1 ARG 2 6.586 2.784 -1.896
20 HD2 ARG 2 HD2 ARG 2 4.539 3.211 -3.050
21 HD3 ARG 2 HD1 ARG 2 3.585 2.820 -1.620
22 HE ARG 2 HE ARG 2 5.434 5.016 -1.288
23 HH11 ARG 2 HH11 ARG 2 2.195 4.124 -2.278
24 HH12 ARG 2 HH12 ARG 2 1.511 5.663 -1.862
25 HH21 ARG 2 HH21 ARG 2 4.533 7.041 -0.749
26 HH22 ARG 2 HH22 ARG 2 2.835 7.320 -0.993
27 H ASP 3 HN ASP 3 7.526 -1.407 -2.694
28 HA ASP 3 HA ASP 3 5.735 -3.509 -3.578
29 HB2 ASP 3 HB2 ASP 3 8.065 -3.466 -4.448
30 HB3 ASP 3 HB1 ASP 3 8.646 -3.718 -2.806
31 H GLU 4 HN GLU 4 6.467 -2.001 -0.903
32 HA GLU 4 HA GLU 4 5.863 -4.240 0.896
33 HB2 GLU 4 HB2 GLU 4 7.038 -1.507 1.363
34 HB3 GLU 4 HB1 GLU 4 6.435 -2.510 2.664
35 HG2 GLU 4 HG2 GLU 4 8.622 -3.279 0.752
36 HG3 GLU 4 HG1 GLU 4 8.866 -2.682 2.392
37 H CYS 5 HN CYS 5 4.025 -2.936 -0.879
38 HA CYS 5 HA CYS 5 2.559 -0.845 0.215
39 HB2 CYS 5 HB2 CYS 5 2.550 -1.797 -2.171
40 HB3 CYS 5 HB1 CYS 5 1.340 -2.929 -1.575
41 H CYS 6 HN CYS 6 2.370 -4.265 0.863
42 HA CYS 6 HA CYS 6 -0.254 -4.256 1.978
43 HB2 CYS 6 HB2 CYS 6 0.798 -6.327 1.172
44 HB3 CYS 6 HB1 CYS 6 2.031 -6.193 2.420
45 H SER 7 HN SER 7 2.971 -3.723 3.244
46 HA SER 7 HA SER 7 2.074 -3.535 5.979
47 HB2 SER 7 HB2 SER 7 4.708 -2.549 4.991
48 HB3 SER 7 HB1 SER 7 4.320 -3.370 6.500
49 HG SER 7 HG SER 7 3.864 -5.266 5.147
50 H ASN 8 HN ASN 8 2.675 -1.469 3.250
51 HA ASN 8 HA ASN 8 3.332 0.803 4.876
52 HB2 ASN 8 HB2 ASN 8 4.452 0.358 2.700
53 HB3 ASN 8 HB1 ASN 8 2.915 0.641 1.887
54 HD21 ASN 8 HD21 ASN 8 4.344 2.390 4.610
55 HD22 ASN 8 HD22 ASN 8 4.455 3.914 3.800
56 HA PRO 9 HA PRO 9 -1.061 1.789 5.311
57 HB2 PRO 9 HB2 PRO 9 -0.627 4.147 6.624
58 HB3 PRO 9 HB1 PRO 9 -0.516 2.573 7.377
59 HG2 PRO 9 HG2 PRO 9 1.694 4.213 6.290
60 HG3 PRO 9 HG1 PRO 9 1.548 3.443 7.886
61 HD2 PRO 9 HD2 PRO 9 2.916 2.253 6.006
62 HD3 PRO 9 HD1 PRO 9 1.821 1.293 7.001
63 H ALA 10 HN ALA 10 1.311 4.214 4.457
64 HA ALA 10 HA ALA 10 -0.401 5.968 3.096
65 HB1 ALA 10 HB1 ALA 10 1.604 6.987 2.191
66 HB2 ALA 10 HB2 ALA 10 2.553 5.575 2.653
67 HB3 ALA 10 HB3 ALA 10 1.829 6.595 3.896
68 H CYS 11 HN CYS 11 0.641 2.852 2.096
69 HA CYS 11 HA CYS 11 0.571 3.591 -0.750
70 HB2 CYS 11 HB2 CYS 11 2.440 2.084 0.057
71 HB3 CYS 11 HB1 CYS 11 1.213 0.897 0.500
72 H ARG 12 HN ARG 12 -0.544 1.455 1.691
73 HA ARG 12 HA ARG 12 -2.726 0.313 0.669
74 HB2 ARG 12 HB2 ARG 12 -1.719 1.124 3.280
75 HB3 ARG 12 HB1 ARG 12 -3.427 0.781 3.222
76 HG2 ARG 12 HG2 ARG 12 -3.110 -1.433 2.827
77 HG3 ARG 12 HG1 ARG 12 -1.612 -1.164 1.943
78 HD2 ARG 12 HD2 ARG 12 -1.248 -2.300 4.092
79 HD3 ARG 12 HD1 ARG 12 -0.425 -0.739 3.993
80 HE ARG 12 HE ARG 12 -2.674 -0.035 5.220
81 HH11 ARG 12 HH11 ARG 12 -0.632 -2.829 5.784
82 HH12 ARG 12 HH12 ARG 12 -0.974 -2.885 7.486
83 HH21 ARG 12 HH21 ARG 12 -3.115 -0.106 7.446
84 HH22 ARG 12 HH22 ARG 12 -2.395 -1.343 8.431
85 H TYR 13 HN TYR 13 -2.379 3.626 1.660
86 HA TYR 13 HA TYR 13 -4.977 4.427 2.007
87 HB2 TYR 13 HB2 TYR 13 -2.879 5.779 2.339
88 HB3 TYR 13 HB1 TYR 13 -2.868 6.036 0.601
89 HD1 TYR 13 HD1 TYR 13 -5.099 6.404 3.505
90 HD2 TYR 13 HD2 TYR 13 -3.884 7.881 -0.261
91 HE1 TYR 13 HE1 TYR 13 -6.586 8.313 3.795
92 HE2 TYR 13 HE2 TYR 13 -5.381 9.821 0.011
93 HH TYR 13 HH TYR 13 -7.415 10.419 1.275
94 H ASN 14 HN ASN 14 -3.301 3.663 -0.985
95 HA ASN 14 HA ASN 14 -5.740 4.428 -2.476
96 HB2 ASN 14 HB2 ASN 14 -3.778 5.710 -3.202
97 HB3 ASN 14 HB1 ASN 14 -2.871 4.224 -3.443
98 HD21 ASN 14 HD21 ASN 14 -5.538 6.165 -4.614
99 HD22 ASN 14 HD22 ASN 14 -5.577 5.489 -6.205
100 H ASN 15 HN ASN 15 -4.306 1.964 -1.058
101 HA ASN 15 HA ASN 15 -4.879 -0.029 -3.125
102 HB2 ASN 15 HB2 ASN 15 -2.322 0.637 -1.787
103 HB3 ASN 15 HB1 ASN 15 -2.588 -1.022 -2.330
104 HD21 ASN 15 HD21 ASN 15 -1.774 2.167 -3.205
105 HD22 ASN 15 HD22 ASN 15 -1.584 1.911 -4.904
106 HA HYP 16 HA HYP 16 -5.974 -1.279 1.208
107 HB2 HYP 16 HB1 HYP 16 -7.786 0.017 1.528
108 HB3 HYP 16 HB2 HYP 16 -8.734 -1.110 0.555
109 HG HYP 16 HG HYP 16 -8.969 0.726 -0.830
110 HD22 HYP 16 HD22 HYP 16 -7.662 -0.714 -2.188
111 HD23 HYP 16 HD23 HYP 16 -6.694 0.769 -2.227
112 HD1 HYP 16 HD1 HYP 16 -6.362 1.694 -0.335
113 H HIS 17 HN HIS 17 -6.628 -2.480 -1.807
114 HA HIS 17 HA HIS 17 -7.410 -5.105 -0.708
115 HB2 HIS 17 HB2 HIS 17 -9.168 -3.947 -2.118
116 HB3 HIS 17 HB1 HIS 17 -8.070 -4.094 -3.484
117 HD1 HIS 17 HD1 HIS 17 -8.254 -6.192 -4.815
118 HD2 HIS 17 HD2 HIS 17 -9.966 -6.573 -1.046
119 HE1 HIS 17 HE1 HIS 17 -9.357 -8.449 -4.799
120 HE2 HIS 17 HE2 HIS 17 -10.334 -8.686 -2.491
121 H VAL 18 HN VAL 18 -4.848 -3.541 -1.666
122 HA VAL 18 HA VAL 18 -3.753 -5.064 -3.763
123 HB VAL 18 HB VAL 18 -3.178 -2.702 -2.905
124 HG11 VAL 18 HG11 VAL 18 -1.224 -2.623 -1.426
125 HG12 VAL 18 HG12 VAL 18 -1.361 -4.365 -1.186
126 HG13 VAL 18 HG13 VAL 18 -2.648 -3.298 -0.632
127 HG21 VAL 18 HG21 VAL 18 -0.924 -2.871 -3.825
128 HG22 VAL 18 HG22 VAL 18 -2.128 -3.707 -4.800
129 HG23 VAL 18 HG23 VAL 18 -1.046 -4.628 -3.760
130 H CYS 19 HN CYS 19 -4.242 -5.757 -0.530
131 HA CYS 19 HA CYS 19 -2.319 -7.964 -0.642
132 HB2 CYS 19 HB2 CYS 19 -1.460 -6.073 0.781
133 HB3 CYS 19 HB1 CYS 19 -2.848 -6.315 1.837
Start of MODEL 3
1 H1 ILE 1 HT1 ILE 1 3.620 2.892 -7.090
2 H2 ILE 1 HT2 ILE 1 4.802 1.694 -7.270
3 H3 ILE 1 HT3 ILE 1 5.064 2.988 -6.223
4 HA ILE 1 HA ILE 1 3.377 2.274 -4.750
5 HB ILE 1 HB ILE 1 2.136 0.213 -5.067
6 HG12 ILE 1 HG12 ILE 1 3.910 -0.830 -6.610
7 HG13 ILE 1 HG11 ILE 1 2.223 -1.173 -6.967
8 HG21 ILE 1 HG21 ILE 1 1.091 2.258 -5.793
9 HG22 ILE 1 HG22 ILE 1 0.627 0.939 -6.866
10 HG23 ILE 1 HG23 ILE 1 1.836 2.110 -7.384
11 HD11 ILE 1 HD11 ILE 1 3.945 0.847 -8.385
12 HD12 ILE 1 HD12 ILE 1 2.259 0.490 -8.748
13 HD13 ILE 1 HD13 ILE 1 3.495 -0.745 -8.987
14 H ARG 2 HN ARG 2 3.755 0.722 -3.117
15 HA ARG 2 HA ARG 2 6.442 -0.360 -3.145
16 HB2 ARG 2 HB2 ARG 2 4.430 -0.702 -0.933
17 HB3 ARG 2 HB1 ARG 2 6.180 -0.649 -0.811
18 HG2 ARG 2 HG2 ARG 2 4.463 1.700 -1.550
19 HG3 ARG 2 HG1 ARG 2 4.988 1.335 0.091
20 HD2 ARG 2 HD2 ARG 2 7.294 1.594 -0.547
21 HD3 ARG 2 HD1 ARG 2 6.839 1.810 -2.238
22 HE ARG 2 HE ARG 2 5.617 3.844 -1.444
23 HH11 ARG 2 HH11 ARG 2 8.355 2.598 0.344
24 HH12 ARG 2 HH12 ARG 2 8.805 4.141 0.990
25 HH21 ARG 2 HH21 ARG 2 6.214 5.893 -0.589
26 HH22 ARG 2 HH22 ARG 2 7.591 6.014 0.461
27 H ASP 3 HN ASP 3 6.915 -2.611 -3.038
28 HA ASP 3 HA ASP 3 4.695 -4.350 -3.710
29 HB2 ASP 3 HB2 ASP 3 6.907 -4.552 -4.903
30 HB3 ASP 3 HB1 ASP 3 7.583 -5.162 -3.396
31 H GLU 4 HN GLU 4 5.845 -3.094 -1.152
32 HA GLU 4 HA GLU 4 4.957 -5.235 0.644
33 HB2 GLU 4 HB2 GLU 4 6.118 -3.897 2.395
34 HB3 GLU 4 HB1 GLU 4 7.179 -4.641 1.217
35 HG2 GLU 4 HG2 GLU 4 7.331 -2.485 0.045
36 HG3 GLU 4 HG1 GLU 4 6.328 -1.760 1.302
37 H CYS 5 HN CYS 5 3.495 -3.458 -0.971
38 HA CYS 5 HA CYS 5 2.589 -1.100 0.164
39 HB2 CYS 5 HB2 CYS 5 2.241 -1.950 -2.199
40 HB3 CYS 5 HB1 CYS 5 0.919 -2.922 -1.564
41 H CYS 6 HN CYS 6 1.676 -4.384 0.882
42 HA CYS 6 HA CYS 6 -0.832 -3.709 2.097
43 HB2 CYS 6 HB2 CYS 6 -0.353 -5.952 1.111
44 HB3 CYS 6 HB1 CYS 6 0.778 -6.248 2.425
45 H SER 7 HN SER 7 2.472 -3.861 3.134
46 HA SER 7 HA SER 7 1.818 -3.636 5.935
47 HB2 SER 7 HB2 SER 7 4.456 -2.883 4.764
48 HB3 SER 7 HB1 SER 7 4.104 -3.683 6.289
49 HG SER 7 HG SER 7 4.938 -5.232 4.943
50 H ASN 8 HN ASN 8 2.529 -1.599 3.187
51 HA ASN 8 HA ASN 8 3.377 0.584 4.860
52 HB2 ASN 8 HB2 ASN 8 4.410 -0.010 2.610
53 HB3 ASN 8 HB1 ASN 8 2.962 0.674 1.877
54 HD21 ASN 8 HD21 ASN 8 2.654 2.906 1.921
55 HD22 ASN 8 HD22 ASN 8 3.906 4.006 2.378
56 HA PRO 9 HA PRO 9 -0.851 1.876 5.493
57 HB2 PRO 9 HB2 PRO 9 -0.204 4.321 6.572
58 HB3 PRO 9 HB1 PRO 9 -0.128 2.801 7.434
59 HG2 PRO 9 HG2 PRO 9 2.088 4.230 6.078
60 HG3 PRO 9 HG1 PRO 9 2.019 3.557 7.724
61 HD2 PRO 9 HD2 PRO 9 3.175 2.183 5.834
62 HD3 PRO 9 HD1 PRO 9 2.091 1.346 6.947
63 H ALA 10 HN ALA 10 1.371 4.374 4.375
64 HA ALA 10 HA ALA 10 -0.621 5.889 3.042
65 HB1 ALA 10 HB1 ALA 10 1.177 7.244 2.206
66 HB2 ALA 10 HB2 ALA 10 2.352 5.989 2.592
67 HB3 ALA 10 HB3 ALA 10 1.501 6.828 3.890
68 H CYS 11 HN CYS 11 0.598 2.920 2.119
69 HA CYS 11 HA CYS 11 0.619 3.593 -0.745
70 HB2 CYS 11 HB2 CYS 11 2.481 2.124 0.135
71 HB3 CYS 11 HB1 CYS 11 1.258 0.941 0.597
72 H ARG 12 HN ARG 12 -0.530 1.445 1.686
73 HA ARG 12 HA ARG 12 -2.751 0.363 0.700
74 HB2 ARG 12 HB2 ARG 12 -1.733 1.210 3.298
75 HB3 ARG 12 HB1 ARG 12 -3.445 0.899 3.236
76 HG2 ARG 12 HG2 ARG 12 -3.169 -1.328 2.916
77 HG3 ARG 12 HG1 ARG 12 -1.663 -1.117 2.029
78 HD2 ARG 12 HD2 ARG 12 -1.340 -2.179 4.230
79 HD3 ARG 12 HD1 ARG 12 -0.466 -0.656 4.052
80 HE ARG 12 HE ARG 12 -2.761 0.118 5.240
81 HH11 ARG 12 HH11 ARG 12 -0.531 -2.474 5.971
82 HH12 ARG 12 HH12 ARG 12 -0.754 -2.360 7.689
83 HH21 ARG 12 HH21 ARG 12 -3.071 0.272 7.499
84 HH22 ARG 12 HH22 ARG 12 -2.199 -0.789 8.559
85 H TYR 13 HN TYR 13 -2.293 3.680 1.570
86 HA TYR 13 HA TYR 13 -4.738 4.710 2.022
87 HB2 TYR 13 HB2 TYR 13 -2.569 5.931 1.898
88 HB3 TYR 13 HB1 TYR 13 -2.707 5.898 0.152
89 HD1 TYR 13 HD1 TYR 13 -4.345 7.148 3.195
90 HD2 TYR 13 HD2 TYR 13 -3.892 7.484 -0.990
91 HE1 TYR 13 HE1 TYR 13 -5.596 9.268 3.240
92 HE2 TYR 13 HE2 TYR 13 -5.129 9.587 -0.974
93 HH TYR 13 HH TYR 13 -6.797 10.747 0.443
94 H ASN 14 HN ASN 14 -3.414 3.896 -1.177
95 HA ASN 14 HA ASN 14 -6.132 4.267 -2.281
96 HB2 ASN 14 HB2 ASN 14 -5.031 4.652 -4.475
97 HB3 ASN 14 HB1 ASN 14 -4.589 5.864 -3.278
98 HD21 ASN 14 HD21 ASN 14 -3.494 3.273 -5.262
99 HD22 ASN 14 HD22 ASN 14 -1.807 3.460 -4.937
100 H ASN 15 HN ASN 15 -4.368 2.028 -1.062
101 HA ASN 15 HA ASN 15 -4.874 -0.014 -3.104
102 HB2 ASN 15 HB2 ASN 15 -2.351 0.923 -1.946
103 HB3 ASN 15 HB1 ASN 15 -2.500 -0.824 -2.139
104 HD21 ASN 15 HD21 ASN 15 -0.719 1.055 -3.479
105 HD22 ASN 15 HD22 ASN 15 -1.030 0.885 -5.174
106 HA HYP 16 HA HYP 16 -5.838 -1.300 1.244
107 HB2 HYP 16 HB1 HYP 16 -7.670 -0.047 1.612
108 HB3 HYP 16 HB2 HYP 16 -8.618 -1.215 0.688
109 HG HYP 16 HG HYP 16 -8.955 0.579 -0.718
110 HD22 HYP 16 HD22 HYP 16 -7.626 -0.799 -2.113
111 HD23 HYP 16 HD23 HYP 16 -6.714 0.719 -2.169
112 HD1 HYP 16 HD1 HYP 16 -6.398 1.694 -0.324
113 H HIS 17 HN HIS 17 -6.487 -2.554 -1.744
114 HA HIS 17 HA HIS 17 -6.922 -5.211 -0.554
115 HB2 HIS 17 HB2 HIS 17 -8.322 -5.899 -2.410
116 HB3 HIS 17 HB1 HIS 17 -9.007 -4.465 -1.665
117 HD1 HIS 17 HD1 HIS 17 -9.425 -2.489 -3.163
118 HD2 HIS 17 HD2 HIS 17 -7.123 -5.424 -4.993
119 HE1 HIS 17 HE1 HIS 17 -9.250 -1.806 -5.574
120 HE2 HIS 17 HE2 HIS 17 -8.028 -3.701 -6.693
121 H VAL 18 HN VAL 18 -4.555 -3.628 -1.519
122 HA VAL 18 HA VAL 18 -3.614 -4.894 -3.882
123 HB VAL 18 HB VAL 18 -3.119 -2.558 -3.018
124 HG11 VAL 18 HG11 VAL 18 -1.136 -4.081 -1.362
125 HG12 VAL 18 HG12 VAL 18 -2.535 -3.200 -0.756
126 HG13 VAL 18 HG13 VAL 18 -1.215 -2.327 -1.535
127 HG21 VAL 18 HG21 VAL 18 -0.822 -4.286 -3.873
128 HG22 VAL 18 HG22 VAL 18 -0.908 -2.529 -3.998
129 HG23 VAL 18 HG23 VAL 18 -2.011 -3.535 -4.931
130 H CYS 19 HN CYS 19 -3.876 -5.963 -0.772
131 HA CYS 19 HA CYS 19 -1.369 -7.113 -0.245
132 HB2 CYS 19 HB2 CYS 19 -4.096 -7.961 0.739
133 HB3 CYS 19 HB1 CYS 19 -2.555 -8.432 1.449
Start of MODEL 4
1 H1 ILE 1 HT1 ILE 1 4.308 3.989 -6.356
2 H2 ILE 1 HT2 ILE 1 3.804 4.489 -4.823
3 H3 ILE 1 HT3 ILE 1 2.668 4.285 -6.058
4 HA ILE 1 HA ILE 1 2.609 2.466 -4.480
5 HB ILE 1 HB ILE 1 1.940 1.996 -6.756
6 HG12 ILE 1 HG12 ILE 1 3.703 -0.205 -5.665
7 HG13 ILE 1 HG11 ILE 1 2.030 0.098 -5.212
8 HG21 ILE 1 HG21 ILE 1 3.880 2.780 -7.953
9 HG22 ILE 1 HG22 ILE 1 3.532 1.114 -8.418
10 HG23 ILE 1 HG23 ILE 1 4.852 1.461 -7.301
11 HD11 ILE 1 HD11 ILE 1 1.320 -0.428 -7.482
12 HD12 ILE 1 HD12 ILE 1 2.214 -1.765 -6.756
13 HD13 ILE 1 HD13 ILE 1 2.997 -0.720 -7.940
14 H ARG 2 HN ARG 2 3.634 0.769 -3.446
15 HA ARG 2 HA ARG 2 6.568 0.793 -3.531
16 HB2 ARG 2 HB2 ARG 2 4.781 0.470 -1.110
17 HB3 ARG 2 HB1 ARG 2 6.533 0.326 -1.098
18 HG2 ARG 2 HG2 ARG 2 4.993 2.814 -1.797
19 HG3 ARG 2 HG1 ARG 2 5.771 2.486 -0.250
20 HD2 ARG 2 HD2 ARG 2 7.161 2.709 -2.918
21 HD3 ARG 2 HD1 ARG 2 7.141 3.941 -1.659
22 HE ARG 2 HE ARG 2 8.169 1.370 -0.829
23 HH11 ARG 2 HH11 ARG 2 8.927 4.523 -2.136
24 HH12 ARG 2 HH12 ARG 2 10.596 4.453 -1.670
25 HH21 ARG 2 HH21 ARG 2 10.366 1.277 -0.207
26 HH22 ARG 2 HH22 ARG 2 11.414 2.608 -0.576
27 H ASP 3 HN ASP 3 7.588 -1.244 -2.978
28 HA ASP 3 HA ASP 3 5.936 -3.539 -3.613
29 HB2 ASP 3 HB2 ASP 3 8.232 -3.249 -4.627
30 HB3 ASP 3 HB1 ASP 3 8.898 -3.517 -3.019
31 H GLU 4 HN GLU 4 6.592 -1.813 -1.126
32 HA GLU 4 HA GLU 4 6.187 -3.953 0.856
33 HB2 GLU 4 HB2 GLU 4 7.624 -1.354 0.933
34 HB3 GLU 4 HB1 GLU 4 6.716 -1.794 2.367
35 HG2 GLU 4 HG2 GLU 4 8.747 -3.609 1.105
36 HG3 GLU 4 HG1 GLU 4 9.155 -2.425 2.347
37 H CYS 5 HN CYS 5 4.286 -2.727 -0.957
38 HA CYS 5 HA CYS 5 2.933 -0.534 0.104
39 HB2 CYS 5 HB2 CYS 5 2.834 -1.505 -2.264
40 HB3 CYS 5 HB1 CYS 5 1.620 -2.611 -1.629
41 H CYS 6 HN CYS 6 2.550 -3.963 0.753
42 HA CYS 6 HA CYS 6 -0.041 -3.602 1.946
43 HB2 CYS 6 HB2 CYS 6 0.765 -5.739 0.804
44 HB3 CYS 6 HB1 CYS 6 1.707 -6.040 2.262
45 H SER 7 HN SER 7 3.257 -3.516 2.992
46 HA SER 7 HA SER 7 2.628 -3.539 5.792
47 HB2 SER 7 HB2 SER 7 5.070 -2.238 4.704
48 HB3 SER 7 HB1 SER 7 4.891 -3.285 6.107
49 HG SER 7 HG SER 7 5.996 -4.196 4.186
50 H ASN 8 HN ASN 8 2.977 -1.227 3.196
51 HA ASN 8 HA ASN 8 3.410 0.973 4.949
52 HB2 ASN 8 HB2 ASN 8 3.289 0.529 1.994
53 HB3 ASN 8 HB1 ASN 8 3.272 2.148 2.637
54 HD21 ASN 8 HD21 ASN 8 5.249 2.669 1.709
55 HD22 ASN 8 HD22 ASN 8 6.744 2.019 2.293
56 HA PRO 9 HA PRO 9 -1.063 1.514 5.425
57 HB2 PRO 9 HB2 PRO 9 -0.842 3.865 6.813
58 HB3 PRO 9 HB1 PRO 9 -0.597 2.282 7.514
59 HG2 PRO 9 HG2 PRO 9 1.467 4.150 6.501
60 HG3 PRO 9 HG1 PRO 9 1.385 3.302 8.063
61 HD2 PRO 9 HD2 PRO 9 2.854 2.314 6.139
62 HD3 PRO 9 HD1 PRO 9 1.851 1.223 7.092
63 H ALA 10 HN ALA 10 1.071 4.172 4.636
64 HA ALA 10 HA ALA 10 -0.904 5.750 3.351
65 HB1 ALA 10 HB1 ALA 10 0.908 7.182 2.662
66 HB2 ALA 10 HB2 ALA 10 2.085 5.929 3.050
67 HB3 ALA 10 HB3 ALA 10 1.146 6.684 4.338
68 H CYS 11 HN CYS 11 0.562 2.897 2.260
69 HA CYS 11 HA CYS 11 0.598 3.783 -0.549
70 HB2 CYS 11 HB2 CYS 11 2.554 2.412 0.281
71 HB3 CYS 11 HB1 CYS 11 1.428 1.096 0.607
72 H ARG 12 HN ARG 12 -0.472 1.420 1.704
73 HA ARG 12 HA ARG 12 -2.573 0.254 0.534
74 HB2 ARG 12 HB2 ARG 12 -1.751 0.999 3.241
75 HB3 ARG 12 HB1 ARG 12 -3.417 0.527 3.047
76 HG2 ARG 12 HG2 ARG 12 -2.899 -1.635 2.599
77 HG3 ARG 12 HG1 ARG 12 -1.392 -1.208 1.795
78 HD2 ARG 12 HD2 ARG 12 -1.019 -2.411 3.906
79 HD3 ARG 12 HD1 ARG 12 -0.330 -0.785 3.916
80 HE ARG 12 HE ARG 12 -2.641 -0.294 5.084
81 HH11 ARG 12 HH11 ARG 12 -0.520 -3.046 5.587
82 HH12 ARG 12 HH12 ARG 12 -0.974 -3.233 7.255
83 HH21 ARG 12 HH21 ARG 12 -3.234 -0.559 7.261
84 HH22 ARG 12 HH22 ARG 12 -2.519 -1.835 8.199
85 H TYR 13 HN TYR 13 -2.355 3.529 1.643
86 HA TYR 13 HA TYR 13 -4.975 4.323 1.820
87 HB2 TYR 13 HB2 TYR 13 -2.951 5.684 2.323
88 HB3 TYR 13 HB1 TYR 13 -2.709 5.871 0.596
89 HD1 TYR 13 HD1 TYR 13 -5.170 6.535 3.256
90 HD2 TYR 13 HD2 TYR 13 -3.648 7.590 -0.537
91 HE1 TYR 13 HE1 TYR 13 -6.597 8.542 3.252
92 HE2 TYR 13 HE2 TYR 13 -5.053 9.588 -0.568
93 HH TYR 13 HH TYR 13 -7.226 10.336 0.512
94 H ASN 14 HN ASN 14 -3.125 3.468 -1.020
95 HA ASN 14 HA ASN 14 -5.379 4.353 -2.722
96 HB2 ASN 14 HB2 ASN 14 -3.170 5.472 -3.171
97 HB3 ASN 14 HB1 ASN 14 -2.497 3.892 -3.551
98 HD21 ASN 14 HD21 ASN 14 -4.726 6.377 -4.560
99 HD22 ASN 14 HD22 ASN 14 -4.863 5.858 -6.205
100 H ASN 15 HN ASN 15 -4.205 1.872 -1.146
101 HA ASN 15 HA ASN 15 -4.773 -0.142 -3.189
102 HB2 ASN 15 HB2 ASN 15 -2.302 0.306 -1.604
103 HB3 ASN 15 HB1 ASN 15 -2.675 -1.312 -2.214
104 HD21 ASN 15 HD21 ASN 15 -1.492 1.807 -2.936
105 HD22 ASN 15 HD22 ASN 15 -1.156 1.550 -4.613
106 HA HYP 16 HA HYP 16 -6.401 -1.148 1.056
107 HB2 HYP 16 HB1 HYP 16 -8.101 0.319 1.190
108 HB3 HYP 16 HB2 HYP 16 -9.052 -0.706 0.110
109 HG HYP 16 HG HYP 16 -8.926 1.152 -1.261
110 HD22 HYP 16 HD22 HYP 16 -7.692 -0.466 -2.488
111 HD23 HYP 16 HD23 HYP 16 -6.559 0.896 -2.452
112 HD1 HYP 16 HD1 HYP 16 -6.276 1.780 -0.495
113 H HIS 17 HN HIS 17 -6.846 -2.355 -1.981
114 HA HIS 17 HA HIS 17 -8.058 -4.837 -0.953
115 HB2 HIS 17 HB2 HIS 17 -7.843 -3.782 -3.776
116 HB3 HIS 17 HB1 HIS 17 -8.310 -5.438 -3.409
117 HD1 HIS 17 HD1 HIS 17 -9.776 -2.301 -4.152
118 HD2 HIS 17 HD2 HIS 17 -10.669 -5.363 -1.490
119 HE1 HIS 17 HE1 HIS 17 -12.198 -2.000 -3.565
120 HE2 HIS 17 HE2 HIS 17 -12.641 -3.719 -1.780
121 H VAL 18 HN VAL 18 -5.192 -3.626 -1.038
122 HA VAL 18 HA VAL 18 -3.737 -5.718 -2.359
123 HB VAL 18 HB VAL 18 -3.080 -3.160 -1.015
124 HG11 VAL 18 HG11 VAL 18 -1.583 -4.700 0.101
125 HG12 VAL 18 HG12 VAL 18 -0.702 -3.641 -0.997
126 HG13 VAL 18 HG13 VAL 18 -1.031 -5.311 -1.456
127 HG21 VAL 18 HG21 VAL 18 -2.195 -4.466 -3.575
128 HG22 VAL 18 HG22 VAL 18 -1.736 -2.847 -3.045
129 HG23 VAL 18 HG23 VAL 18 -3.424 -3.215 -3.401
130 H CYS 19 HN CYS 19 -4.761 -4.833 0.795
131 HA CYS 19 HA CYS 19 -3.527 -7.273 1.883
132 HB2 CYS 19 HB2 CYS 19 -4.227 -4.780 3.448
133 HB3 CYS 19 HB1 CYS 19 -3.366 -6.195 4.040
Start of MODEL 5
1 H1 ILE 1 HT1 ILE 1 6.711 4.751 -4.669
2 H2 ILE 1 HT2 ILE 1 5.834 4.378 -6.063
3 H3 ILE 1 HT3 ILE 1 7.290 3.579 -5.738
4 HA ILE 1 HA ILE 1 4.847 3.401 -4.085
5 HB ILE 1 HB ILE 1 4.721 1.064 -4.889
6 HG12 ILE 1 HG12 ILE 1 6.799 1.938 -6.908
7 HG13 ILE 1 HG11 ILE 1 7.095 0.840 -5.566
8 HG21 ILE 1 HG21 ILE 1 4.577 3.157 -7.054
9 HG22 ILE 1 HG22 ILE 1 3.311 2.764 -5.891
10 HG23 ILE 1 HG23 ILE 1 3.795 1.576 -7.102
11 HD11 ILE 1 HD11 ILE 1 5.509 -0.749 -6.520
12 HD12 ILE 1 HD12 ILE 1 6.810 -0.371 -7.648
13 HD13 ILE 1 HD13 ILE 1 5.217 0.353 -7.865
14 H ARG 2 HN ARG 2 5.207 0.969 -3.050
15 HA ARG 2 HA ARG 2 7.870 0.996 -1.825
16 HB2 ARG 2 HB2 ARG 2 5.232 0.480 -0.443
17 HB3 ARG 2 HB1 ARG 2 6.808 0.258 0.297
18 HG2 ARG 2 HG2 ARG 2 5.759 2.882 -0.734
19 HG3 ARG 2 HG1 ARG 2 5.693 2.357 0.950
20 HD2 ARG 2 HD2 ARG 2 8.163 2.163 0.935
21 HD3 ARG 2 HD1 ARG 2 8.172 2.807 -0.707
22 HE ARG 2 HE ARG 2 6.800 4.673 0.719
23 HH11 ARG 2 HH11 ARG 2 9.959 3.190 1.019
24 HH12 ARG 2 HH12 ARG 2 10.657 4.556 1.828
25 HH21 ARG 2 HH21 ARG 2 7.743 6.481 1.764
26 HH22 ARG 2 HH22 ARG 2 9.408 6.418 2.245
27 H ASP 3 HN ASP 3 8.719 -1.006 -1.283
28 HA ASP 3 HA ASP 3 7.499 -3.288 -2.602
29 HB2 ASP 3 HB2 ASP 3 9.899 -2.880 -3.003
30 HB3 ASP 3 HB1 ASP 3 10.202 -3.011 -1.276
31 H GLU 4 HN GLU 4 7.508 -1.790 0.150
32 HA GLU 4 HA GLU 4 6.660 -4.092 1.761
33 HB2 GLU 4 HB2 GLU 4 7.696 -1.373 2.570
34 HB3 GLU 4 HB1 GLU 4 6.998 -2.534 3.676
35 HG2 GLU 4 HG2 GLU 4 8.774 -4.076 3.319
36 HG3 GLU 4 HG1 GLU 4 9.398 -3.120 1.975
37 H CYS 5 HN CYS 5 5.219 -2.720 -0.274
38 HA CYS 5 HA CYS 5 3.749 -0.511 0.479
39 HB2 CYS 5 HB2 CYS 5 3.977 -2.225 -1.749
40 HB3 CYS 5 HB1 CYS 5 2.272 -2.125 -1.357
41 H CYS 6 HN CYS 6 2.964 -3.949 0.812
42 HA CYS 6 HA CYS 6 0.268 -3.505 1.617
43 HB2 CYS 6 HB2 CYS 6 1.051 -5.658 0.677
44 HB3 CYS 6 HB1 CYS 6 2.027 -5.920 2.117
45 H SER 7 HN SER 7 3.318 -3.716 3.348
46 HA SER 7 HA SER 7 2.154 -3.649 5.955
47 HB2 SER 7 HB2 SER 7 4.828 -2.487 5.366
48 HB3 SER 7 HB1 SER 7 4.324 -3.506 6.714
49 HG SER 7 HG SER 7 4.030 -5.127 4.820
50 H ASN 8 HN ASN 8 2.745 -1.388 3.442
51 HA ASN 8 HA ASN 8 3.162 0.798 5.291
52 HB2 ASN 8 HB2 ASN 8 4.684 0.610 3.386
53 HB3 ASN 8 HB1 ASN 8 3.322 0.707 2.273
54 HD21 ASN 8 HD21 ASN 8 5.278 2.477 4.566
55 HD22 ASN 8 HD22 ASN 8 4.823 4.056 4.024
56 HA PRO 9 HA PRO 9 -1.245 1.624 5.106
57 HB2 PRO 9 HB2 PRO 9 -1.145 3.937 6.538
58 HB3 PRO 9 HB1 PRO 9 -0.971 2.350 7.252
59 HG2 PRO 9 HG2 PRO 9 1.193 4.206 6.447
60 HG3 PRO 9 HG1 PRO 9 0.937 3.392 8.007
61 HD2 PRO 9 HD2 PRO 9 2.593 2.354 6.262
62 HD3 PRO 9 HD1 PRO 9 1.492 1.292 7.140
63 H ALA 10 HN ALA 10 1.134 4.108 4.531
64 HA ALA 10 HA ALA 10 -0.457 5.923 3.114
65 HB1 ALA 10 HB1 ALA 10 1.636 6.884 2.299
66 HB2 ALA 10 HB2 ALA 10 2.507 5.457 2.859
67 HB3 ALA 10 HB3 ALA 10 1.713 6.520 4.021
68 H CYS 11 HN CYS 11 0.728 2.847 2.068
69 HA CYS 11 HA CYS 11 0.639 3.628 -0.759
70 HB2 CYS 11 HB2 CYS 11 2.538 2.229 -0.327
71 HB3 CYS 11 HB1 CYS 11 1.591 1.137 0.678
72 H ARG 12 HN ARG 12 -0.450 1.330 1.576
73 HA ARG 12 HA ARG 12 -2.619 0.241 0.433
74 HB2 ARG 12 HB2 ARG 12 -1.505 0.637 3.012
75 HB3 ARG 12 HB1 ARG 12 -3.246 0.774 3.097
76 HG2 ARG 12 HG2 ARG 12 -2.661 -1.462 3.508
77 HG3 ARG 12 HG1 ARG 12 -3.397 -1.402 1.919
78 HD2 ARG 12 HD2 ARG 12 -0.463 -1.544 2.550
79 HD3 ARG 12 HD1 ARG 12 -1.462 -2.879 1.988
80 HE ARG 12 HE ARG 12 -0.847 -0.495 0.362
81 HH11 ARG 12 HH11 ARG 12 -1.513 -3.913 0.612
82 HH12 ARG 12 HH12 ARG 12 -0.965 -4.263 -0.996
83 HH21 ARG 12 HH21 ARG 12 -0.131 -0.962 -1.770
84 HH22 ARG 12 HH22 ARG 12 -0.189 -2.598 -2.342
85 H TYR 13 HN TYR 13 -2.296 3.458 1.633
86 HA TYR 13 HA TYR 13 -4.803 4.350 2.045
87 HB2 TYR 13 HB2 TYR 13 -2.832 5.725 2.309
88 HB3 TYR 13 HB1 TYR 13 -2.583 5.728 0.570
89 HD1 TYR 13 HD1 TYR 13 -5.231 6.607 3.012
90 HD2 TYR 13 HD2 TYR 13 -3.232 7.506 -0.596
91 HE1 TYR 13 HE1 TYR 13 -6.590 8.647 2.779
92 HE2 TYR 13 HE2 TYR 13 -4.562 9.538 -0.851
93 HH TYR 13 HH TYR 13 -6.432 10.850 1.634
94 H ASN 14 HN ASN 14 -3.317 3.781 -1.142
95 HA ASN 14 HA ASN 14 -5.968 4.362 -2.315
96 HB2 ASN 14 HB2 ASN 14 -4.835 4.898 -4.420
97 HB3 ASN 14 HB1 ASN 14 -4.256 5.936 -3.126
98 HD21 ASN 14 HD21 ASN 14 -3.460 3.429 -5.361
99 HD22 ASN 14 HD22 ASN 14 -1.755 3.427 -5.069
100 H ASN 15 HN ASN 15 -4.326 2.007 -1.180
101 HA ASN 15 HA ASN 15 -4.935 0.054 -3.274
102 HB2 ASN 15 HB2 ASN 15 -2.329 0.744 -2.039
103 HB3 ASN 15 HB1 ASN 15 -2.587 -0.907 -2.596
104 HD21 ASN 15 HD21 ASN 15 -0.674 1.084 -3.541
105 HD22 ASN 15 HD22 ASN 15 -1.006 1.318 -5.221
106 HA HYP 16 HA HYP 16 -5.769 -1.138 1.172
107 HB2 HYP 16 HB1 HYP 16 -7.440 0.309 1.573
108 HB3 HYP 16 HB2 HYP 16 -8.551 -0.844 0.829
109 HG HYP 16 HG HYP 16 -8.894 0.832 -0.707
110 HD22 HYP 16 HD22 HYP 16 -7.714 -0.664 -2.096
111 HD23 HYP 16 HD23 HYP 16 -6.729 0.795 -2.286
112 HD1 HYP 16 HD1 HYP 16 -6.251 1.825 -0.400
113 H HIS 17 HN HIS 17 -6.651 -2.491 -1.691
114 HA HIS 17 HA HIS 17 -7.099 -5.074 -0.380
115 HB2 HIS 17 HB2 HIS 17 -9.329 -4.125 -1.046
116 HB3 HIS 17 HB1 HIS 17 -8.780 -4.124 -2.715
117 HD1 HIS 17 HD1 HIS 17 -9.709 -6.036 -3.955
118 HD2 HIS 17 HD2 HIS 17 -8.959 -6.999 0.018
119 HE1 HIS 17 HE1 HIS 17 -10.392 -8.443 -3.699
120 HE2 HIS 17 HE2 HIS 17 -9.812 -9.039 -1.323
121 H VAL 18 HN VAL 18 -4.774 -3.988 -1.476
122 HA VAL 18 HA VAL 18 -4.540 -4.982 -4.181
123 HB VAL 18 HB VAL 18 -3.054 -3.041 -2.493
124 HG11 VAL 18 HG11 VAL 18 -1.318 -4.486 -3.400
125 HG12 VAL 18 HG12 VAL 18 -1.276 -2.876 -4.115
126 HG13 VAL 18 HG13 VAL 18 -1.952 -4.230 -5.021
127 HG21 VAL 18 HG21 VAL 18 -3.430 -1.597 -4.371
128 HG22 VAL 18 HG22 VAL 18 -4.943 -2.391 -3.927
129 HG23 VAL 18 HG23 VAL 18 -4.033 -2.949 -5.331
130 H CYS 19 HN CYS 19 -3.523 -5.720 -0.986
131 HA CYS 19 HA CYS 19 -1.938 -7.945 -2.076
132 HB2 CYS 19 HB2 CYS 19 -0.905 -8.091 0.228
133 HB3 CYS 19 HB1 CYS 19 -0.484 -6.661 -0.703
Start of MODEL 6
1 H1 ILE 1 HT1 ILE 1 2.176 2.956 -5.430
2 H2 ILE 1 HT2 ILE 1 2.040 2.698 -3.765
3 H3 ILE 1 HT3 ILE 1 2.422 1.411 -4.791
4 HA ILE 1 HA ILE 1 4.514 2.431 -5.369
5 HB ILE 1 HB ILE 1 5.332 4.364 -4.124
6 HG12 ILE 1 HG12 ILE 1 2.524 4.571 -3.010
7 HG13 ILE 1 HG11 ILE 1 3.932 4.039 -2.098
8 HG21 ILE 1 HG21 ILE 1 3.960 6.091 -5.198
9 HG22 ILE 1 HG22 ILE 1 2.709 4.889 -5.515
10 HG23 ILE 1 HG23 ILE 1 4.289 4.740 -6.283
11 HD11 ILE 1 HD11 ILE 1 3.515 6.763 -3.304
12 HD12 ILE 1 HD12 ILE 1 4.960 6.237 -2.441
13 HD13 ILE 1 HD13 ILE 1 3.418 6.338 -1.594
14 H ARG 2 HN ARG 2 6.413 2.172 -3.997
15 HA ARG 2 HA ARG 2 7.672 1.154 -2.437
16 HB2 ARG 2 HB2 ARG 2 6.274 2.574 -0.916
17 HB3 ARG 2 HB1 ARG 2 5.206 1.201 -0.742
18 HG2 ARG 2 HG2 ARG 2 6.598 1.223 1.167
19 HG3 ARG 2 HG1 ARG 2 7.192 -0.081 0.139
20 HD2 ARG 2 HD2 ARG 2 9.047 1.211 1.018
21 HD3 ARG 2 HD1 ARG 2 8.938 1.406 -0.728
22 HE ARG 2 HE ARG 2 7.533 3.467 0.659
23 HH11 ARG 2 HH11 ARG 2 10.724 2.435 -0.351
24 HH12 ARG 2 HH12 ARG 2 11.382 4.040 -0.347
25 HH21 ARG 2 HH21 ARG 2 8.407 5.588 0.651
26 HH22 ARG 2 HH22 ARG 2 10.068 5.827 0.211
27 H ASP 3 HN ASP 3 8.215 -0.948 -1.955
28 HA ASP 3 HA ASP 3 6.407 -2.956 -3.039
29 HB2 ASP 3 HB2 ASP 3 8.768 -2.863 -3.843
30 HB3 ASP 3 HB1 ASP 3 9.298 -3.267 -2.216
31 H GLU 4 HN GLU 4 6.591 -1.592 -0.366
32 HA GLU 4 HA GLU 4 6.135 -3.957 1.307
33 HB2 GLU 4 HB2 GLU 4 6.968 -1.148 2.032
34 HB3 GLU 4 HB1 GLU 4 6.415 -2.329 3.195
35 HG2 GLU 4 HG2 GLU 4 8.837 -2.594 1.438
36 HG3 GLU 4 HG1 GLU 4 8.846 -2.182 3.151
37 H CYS 5 HN CYS 5 4.361 -2.722 -0.592
38 HA CYS 5 HA CYS 5 2.748 -0.683 0.309
39 HB2 CYS 5 HB2 CYS 5 2.775 -1.511 -2.007
40 HB3 CYS 5 HB1 CYS 5 1.909 -2.955 -1.493
41 H CYS 6 HN CYS 6 2.426 -4.126 1.026
42 HA CYS 6 HA CYS 6 -0.253 -3.869 2.012
43 HB2 CYS 6 HB2 CYS 6 0.769 -6.002 1.096
44 HB3 CYS 6 HB1 CYS 6 1.669 -6.124 2.604
45 H SER 7 HN SER 7 2.916 -3.498 3.317
46 HA SER 7 HA SER 7 1.945 -3.376 6.065
47 HB2 SER 7 HB2 SER 7 4.321 -4.197 5.152
48 HB3 SER 7 HB1 SER 7 4.666 -2.465 5.289
49 HG SER 7 HG SER 7 3.847 -4.246 7.340
50 H ASN 8 HN ASN 8 2.810 -1.354 3.387
51 HA ASN 8 HA ASN 8 3.475 0.922 4.984
52 HB2 ASN 8 HB2 ASN 8 4.671 0.515 2.908
53 HB3 ASN 8 HB1 ASN 8 3.165 0.579 1.999
54 HD21 ASN 8 HD21 ASN 8 4.031 2.217 0.693
55 HD22 ASN 8 HD22 ASN 8 4.175 3.844 1.255
56 HA PRO 9 HA PRO 9 -0.882 2.016 5.420
57 HB2 PRO 9 HB2 PRO 9 0.523 4.390 6.552
58 HB3 PRO 9 HB1 PRO 9 -0.832 3.481 7.229
59 HG2 PRO 9 HG2 PRO 9 1.551 3.178 8.215
60 HG3 PRO 9 HG1 PRO 9 0.593 1.722 7.865
61 HD2 PRO 9 HD2 PRO 9 2.804 2.967 6.258
62 HD3 PRO 9 HD1 PRO 9 2.536 1.276 6.682
63 H ALA 10 HN ALA 10 1.665 4.047 4.122
64 HA ALA 10 HA ALA 10 -0.044 6.015 2.993
65 HB1 ALA 10 HB1 ALA 10 2.803 5.328 2.282
66 HB2 ALA 10 HB2 ALA 10 2.294 6.473 3.523
67 HB3 ALA 10 HB3 ALA 10 1.945 6.799 1.826
68 H CYS 11 HN CYS 11 0.769 2.802 1.943
69 HA CYS 11 HA CYS 11 0.411 3.535 -0.886
70 HB2 CYS 11 HB2 CYS 11 2.325 2.020 -0.400
71 HB3 CYS 11 HB1 CYS 11 1.207 0.879 0.357
72 H ARG 12 HN ARG 12 -0.446 1.379 1.630
73 HA ARG 12 HA ARG 12 -2.682 0.191 0.893
74 HB2 ARG 12 HB2 ARG 12 -1.536 1.224 3.365
75 HB3 ARG 12 HB1 ARG 12 -3.235 0.840 3.436
76 HG2 ARG 12 HG2 ARG 12 -2.885 -1.388 3.207
77 HG3 ARG 12 HG1 ARG 12 -1.464 -1.161 2.193
78 HD2 ARG 12 HD2 ARG 12 -0.887 -2.109 4.371
79 HD3 ARG 12 HD1 ARG 12 -0.149 -0.526 4.111
80 HE ARG 12 HE ARG 12 -2.188 0.271 5.490
81 HH11 ARG 12 HH11 ARG 12 -0.553 -2.793 5.950
82 HH12 ARG 12 HH12 ARG 12 -0.871 -2.846 7.654
83 HH21 ARG 12 HH21 ARG 12 -2.613 0.206 7.721
84 HH22 ARG 12 HH22 ARG 12 -2.050 -1.138 8.668
85 H TYR 13 HN TYR 13 -2.417 3.553 1.852
86 HA TYR 13 HA TYR 13 -5.023 4.298 2.188
87 HB2 TYR 13 HB2 TYR 13 -3.151 5.763 2.622
88 HB3 TYR 13 HB1 TYR 13 -2.750 5.792 0.914
89 HD1 TYR 13 HD1 TYR 13 -5.501 6.685 3.227
90 HD2 TYR 13 HD2 TYR 13 -3.487 7.441 -0.405
91 HE1 TYR 13 HE1 TYR 13 -6.878 8.700 2.897
92 HE2 TYR 13 HE2 TYR 13 -4.839 9.445 -0.759
93 HH TYR 13 HH TYR 13 -7.067 10.322 -0.047
94 H ASN 14 HN ASN 14 -3.356 3.539 -0.809
95 HA ASN 14 HA ASN 14 -5.761 4.395 -2.308
96 HB2 ASN 14 HB2 ASN 14 -3.720 5.678 -2.892
97 HB3 ASN 14 HB1 ASN 14 -2.892 4.175 -3.277
98 HD21 ASN 14 HD21 ASN 14 -5.330 6.446 -4.273
99 HD22 ASN 14 HD22 ASN 14 -5.480 5.871 -5.896
100 H ASN 15 HN ASN 15 -4.348 1.866 -0.966
101 HA ASN 15 HA ASN 15 -4.906 -0.018 -3.132
102 HB2 ASN 15 HB2 ASN 15 -2.351 0.462 -1.685
103 HB3 ASN 15 HB1 ASN 15 -2.663 -1.097 -2.459
104 HD21 ASN 15 HD21 ASN 15 -1.764 2.177 -2.885
105 HD22 ASN 15 HD22 ASN 15 -1.523 2.133 -4.598
106 HA HYP 16 HA HYP 16 -6.088 -1.609 1.058
107 HB2 HYP 16 HB1 HYP 16 -7.818 -0.233 1.523
108 HB3 HYP 16 HB2 HYP 16 -8.834 -1.202 0.450
109 HG HYP 16 HG HYP 16 -8.965 0.778 -0.743
110 HD22 HYP 16 HD22 HYP 16 -7.742 -0.611 -2.240
111 HD23 HYP 16 HD23 HYP 16 -6.706 0.826 -2.158
112 HD1 HYP 16 HD1 HYP 16 -6.295 1.511 -0.120
113 H HIS 17 HN HIS 17 -6.740 -2.367 -2.077
114 HA HIS 17 HA HIS 17 -7.934 -4.980 -1.441
115 HB2 HIS 17 HB2 HIS 17 -9.013 -3.423 -3.169
116 HB3 HIS 17 HB1 HIS 17 -7.619 -3.751 -4.189
117 HD1 HIS 17 HD1 HIS 17 -7.732 -5.797 -5.616
118 HD2 HIS 17 HD2 HIS 17 -10.588 -5.803 -2.599
119 HE1 HIS 17 HE1 HIS 17 -9.203 -7.781 -6.083
120 HE2 HIS 17 HE2 HIS 17 -10.771 -7.887 -4.113
121 H VAL 18 HN VAL 18 -5.066 -3.753 -1.443
122 HA VAL 18 HA VAL 18 -3.644 -5.420 -3.288
123 HB VAL 18 HB VAL 18 -3.054 -3.156 -1.523
124 HG11 VAL 18 HG11 VAL 18 -0.860 -5.124 -2.126
125 HG12 VAL 18 HG12 VAL 18 -1.545 -4.796 -0.536
126 HG13 VAL 18 HG13 VAL 18 -0.671 -3.529 -1.394
127 HG21 VAL 18 HG21 VAL 18 -1.951 -4.067 -4.167
128 HG22 VAL 18 HG22 VAL 18 -1.650 -2.503 -3.408
129 HG23 VAL 18 HG23 VAL 18 -3.280 -2.937 -3.920
130 H CYS 19 HN CYS 19 -4.428 -5.376 0.060
131 HA CYS 19 HA CYS 19 -2.748 -7.690 0.626
132 HB2 CYS 19 HB2 CYS 19 -4.515 -6.053 2.456
133 HB3 CYS 19 HB1 CYS 19 -3.475 -7.374 2.972
Start of MODEL 7
1 H1 ILE 1 HT1 ILE 1 2.501 1.110 -7.499
2 H2 ILE 1 HT2 ILE 1 2.014 2.130 -6.243
3 H3 ILE 1 HT3 ILE 1 0.856 1.335 -7.184
4 HA ILE 1 HA ILE 1 1.151 0.333 -4.993
5 HB ILE 1 HB ILE 1 1.472 -2.008 -5.774
6 HG12 ILE 1 HG12 ILE 1 1.517 -2.120 -8.416
7 HG13 ILE 1 HG11 ILE 1 2.388 -0.602 -8.254
8 HG21 ILE 1 HG21 ILE 1 -0.704 -0.973 -5.886
9 HG22 ILE 1 HG22 ILE 1 -0.468 -2.023 -7.283
10 HG23 ILE 1 HG23 ILE 1 -0.322 -0.277 -7.460
11 HD11 ILE 1 HD11 ILE 1 3.191 -3.228 -7.024
12 HD12 ILE 1 HD12 ILE 1 4.074 -1.707 -6.888
13 HD13 ILE 1 HD13 ILE 1 3.902 -2.492 -8.458
14 H ARG 2 HN ARG 2 2.511 -1.251 -3.789
15 HA ARG 2 HA ARG 2 5.375 -0.839 -4.212
16 HB2 ARG 2 HB2 ARG 2 3.899 -0.541 -1.591
17 HB3 ARG 2 HB1 ARG 2 5.646 -0.604 -1.737
18 HG2 ARG 2 HG2 ARG 2 3.887 1.489 -2.989
19 HG3 ARG 2 HG1 ARG 2 4.778 1.678 -1.478
20 HD2 ARG 2 HD2 ARG 2 6.879 1.292 -2.690
21 HD3 ARG 2 HD1 ARG 2 5.972 1.152 -4.196
22 HE ARG 2 HE ARG 2 5.208 3.562 -3.326
23 HH11 ARG 2 HH11 ARG 2 8.364 2.091 -3.640
24 HH12 ARG 2 HH12 ARG 2 9.182 3.594 -3.915
25 HH21 ARG 2 HH21 ARG 2 6.287 5.553 -3.683
26 HH22 ARG 2 HH22 ARG 2 8.002 5.564 -3.931
27 H ASP 3 HN ASP 3 6.711 -2.467 -3.202
28 HA ASP 3 HA ASP 3 5.422 -5.048 -3.113
29 HB2 ASP 3 HB2 ASP 3 7.534 -4.834 -4.335
30 HB3 ASP 3 HB1 ASP 3 8.331 -4.270 -2.873
31 H GLU 4 HN GLU 4 6.054 -2.672 -1.123
32 HA GLU 4 HA GLU 4 5.997 -4.319 1.314
33 HB2 GLU 4 HB2 GLU 4 6.884 -1.470 0.854
34 HB3 GLU 4 HB1 GLU 4 6.743 -2.223 2.425
35 HG2 GLU 4 HG2 GLU 4 8.524 -3.701 2.001
36 HG3 GLU 4 HG1 GLU 4 8.490 -3.352 0.273
37 H CYS 5 HN CYS 5 3.936 -3.214 -0.660
38 HA CYS 5 HA CYS 5 2.607 -0.994 0.351
39 HB2 CYS 5 HB2 CYS 5 2.380 -2.050 -1.942
40 HB3 CYS 5 HB1 CYS 5 1.268 -3.195 -1.202
41 H CYS 6 HN CYS 6 2.233 -4.380 1.183
42 HA CYS 6 HA CYS 6 -0.294 -4.122 2.450
43 HB2 CYS 6 HB2 CYS 6 0.566 -6.301 1.697
44 HB3 CYS 6 HB1 CYS 6 1.860 -6.202 2.886
45 H SER 7 HN SER 7 3.015 -3.735 3.511
46 HA SER 7 HA SER 7 2.323 -3.344 6.272
47 HB2 SER 7 HB2 SER 7 4.867 -2.381 5.063
48 HB3 SER 7 HB1 SER 7 4.594 -3.180 6.609
49 HG SER 7 HG SER 7 5.655 -4.480 4.927
50 H ASN 8 HN ASN 8 2.732 -1.426 3.384
51 HA ASN 8 HA ASN 8 3.436 0.931 4.821
52 HB2 ASN 8 HB2 ASN 8 3.203 0.114 1.968
53 HB3 ASN 8 HB1 ASN 8 3.250 1.811 2.364
54 HD21 ASN 8 HD21 ASN 8 5.239 2.087 1.319
55 HD22 ASN 8 HD22 ASN 8 6.714 1.495 2.004
56 HA PRO 9 HA PRO 9 -0.962 1.916 5.323
57 HB2 PRO 9 HB2 PRO 9 -0.502 4.305 6.563
58 HB3 PRO 9 HB1 PRO 9 -0.362 2.753 7.358
59 HG2 PRO 9 HG2 PRO 9 1.816 4.374 6.169
60 HG3 PRO 9 HG1 PRO 9 1.708 3.653 7.792
61 HD2 PRO 9 HD2 PRO 9 3.035 2.405 5.914
62 HD3 PRO 9 HD1 PRO 9 1.978 1.476 6.977
63 H ALA 10 HN ALA 10 1.459 4.199 4.320
64 HA ALA 10 HA ALA 10 -0.176 6.012 2.946
65 HB1 ALA 10 HB1 ALA 10 2.727 5.372 2.453
66 HB2 ALA 10 HB2 ALA 10 2.106 6.523 3.636
67 HB3 ALA 10 HB3 ALA 10 1.877 6.820 1.914
68 H CYS 11 HN CYS 11 0.725 2.799 2.012
69 HA CYS 11 HA CYS 11 0.535 3.464 -0.845
70 HB2 CYS 11 HB2 CYS 11 2.421 1.975 -0.204
71 HB3 CYS 11 HB1 CYS 11 1.273 0.853 0.529
72 H ARG 12 HN ARG 12 -0.483 1.372 1.678
73 HA ARG 12 HA ARG 12 -2.689 0.196 0.786
74 HB2 ARG 12 HB2 ARG 12 -1.616 1.129 3.331
75 HB3 ARG 12 HB1 ARG 12 -3.317 0.753 3.330
76 HG2 ARG 12 HG2 ARG 12 -2.968 -1.474 3.010
77 HG3 ARG 12 HG1 ARG 12 -1.477 -1.211 2.109
78 HD2 ARG 12 HD2 ARG 12 -1.130 -2.239 4.343
79 HD3 ARG 12 HD1 ARG 12 -0.273 -0.712 4.105
80 HE ARG 12 HE ARG 12 -2.574 0.065 5.283
81 HH11 ARG 12 HH11 ARG 12 -0.262 -2.430 6.119
82 HH12 ARG 12 HH12 ARG 12 -0.498 -2.241 7.830
83 HH21 ARG 12 HH21 ARG 12 -2.891 0.302 7.516
84 HH22 ARG 12 HH22 ARG 12 -2.001 -0.696 8.625
85 H TYR 13 HN TYR 13 -2.355 3.511 1.814
86 HA TYR 13 HA TYR 13 -4.908 4.357 2.206
87 HB2 TYR 13 HB2 TYR 13 -2.745 5.651 2.397
88 HB3 TYR 13 HB1 TYR 13 -2.856 5.908 0.664
89 HD1 TYR 13 HD1 TYR 13 -4.549 6.542 3.844
90 HD2 TYR 13 HD2 TYR 13 -4.193 7.576 -0.238
91 HE1 TYR 13 HE1 TYR 13 -5.972 8.485 4.229
92 HE2 TYR 13 HE2 TYR 13 -5.628 9.545 0.127
93 HH TYR 13 HH TYR 13 -7.319 10.325 1.689
94 H ASN 14 HN ASN 14 -3.356 3.598 -0.868
95 HA ASN 14 HA ASN 14 -5.833 4.451 -2.249
96 HB2 ASN 14 HB2 ASN 14 -3.009 4.287 -3.339
97 HB3 ASN 14 HB1 ASN 14 -4.437 4.661 -4.296
98 HD21 ASN 14 HD21 ASN 14 -2.151 5.830 -1.984
99 HD22 ASN 14 HD22 ASN 14 -2.647 7.486 -2.024
100 H ASN 15 HN ASN 15 -4.433 1.913 -0.985
101 HA ASN 15 HA ASN 15 -4.982 0.060 -3.178
102 HB2 ASN 15 HB2 ASN 15 -2.426 0.522 -1.724
103 HB3 ASN 15 HB1 ASN 15 -2.736 -1.022 -2.525
104 HD21 ASN 15 HD21 ASN 15 -1.762 2.224 -2.878
105 HD22 ASN 15 HD22 ASN 15 -1.532 2.215 -4.593
106 HA HYP 16 HA HYP 16 -6.083 -1.529 1.056
107 HB2 HYP 16 HB1 HYP 16 -7.849 -0.230 1.569
108 HB3 HYP 16 HB2 HYP 16 -8.851 -1.191 0.476
109 HG HYP 16 HG HYP 16 -9.021 0.823 -0.650
110 HD22 HYP 16 HD22 HYP 16 -7.820 -0.510 -2.208
111 HD23 HYP 16 HD23 HYP 16 -6.786 0.925 -2.102
112 HD1 HYP 16 HD1 HYP 16 -6.370 1.618 -0.161
113 H HIS 17 HN HIS 17 -6.846 -2.358 -2.061
114 HA HIS 17 HA HIS 17 -7.764 -5.044 -1.264
115 HB2 HIS 17 HB2 HIS 17 -8.112 -3.475 -3.800
116 HB3 HIS 17 HB1 HIS 17 -8.199 -5.231 -3.833
117 HD1 HIS 17 HD1 HIS 17 -10.389 -6.254 -3.246
118 HD2 HIS 17 HD2 HIS 17 -10.136 -2.274 -2.068
119 HE1 HIS 17 HE1 HIS 17 -12.693 -5.638 -2.441
120 HE2 HIS 17 HE2 HIS 17 -12.498 -3.251 -1.659
121 H VAL 18 HN VAL 18 -4.987 -3.612 -1.613
122 HA VAL 18 HA VAL 18 -3.664 -5.264 -3.525
123 HB VAL 18 HB VAL 18 -2.947 -3.043 -1.727
124 HG11 VAL 18 HG11 VAL 18 -0.564 -3.381 -1.949
125 HG12 VAL 18 HG12 VAL 18 -0.839 -4.935 -2.734
126 HG13 VAL 18 HG13 VAL 18 -1.303 -4.701 -1.050
127 HG21 VAL 18 HG21 VAL 18 -2.226 -3.788 -4.548
128 HG22 VAL 18 HG22 VAL 18 -1.773 -2.282 -3.748
129 HG23 VAL 18 HG23 VAL 18 -3.473 -2.649 -4.040
130 H CYS 19 HN CYS 19 -4.102 -5.198 -0.102
131 HA CYS 19 HA CYS 19 -2.847 -7.845 0.098
132 HB2 CYS 19 HB2 CYS 19 -1.394 -6.064 1.095
133 HB3 CYS 19 HB1 CYS 19 -2.699 -5.684 2.214
Start of MODEL 8
1 H1 ILE 1 HT1 ILE 1 6.193 4.599 -4.868
2 H2 ILE 1 HT2 ILE 1 7.627 3.996 -4.206
3 H3 ILE 1 HT3 ILE 1 6.362 4.465 -3.192
4 HA ILE 1 HA ILE 1 4.972 2.713 -4.028
5 HB ILE 1 HB ILE 1 5.987 0.946 -5.462
6 HG12 ILE 1 HG12 ILE 1 7.954 1.925 -6.926
7 HG13 ILE 1 HG11 ILE 1 8.275 2.885 -5.489
8 HG21 ILE 1 HG21 ILE 1 5.851 3.695 -6.685
9 HG22 ILE 1 HG22 ILE 1 4.494 2.604 -6.407
10 HG23 ILE 1 HG23 ILE 1 5.749 2.173 -7.568
11 HD11 ILE 1 HD11 ILE 1 8.502 0.822 -4.185
12 HD12 ILE 1 HD12 ILE 1 9.654 0.908 -5.515
13 HD13 ILE 1 HD13 ILE 1 8.228 -0.119 -5.652
14 H ARG 2 HN ARG 2 5.292 0.344 -3.362
15 HA ARG 2 HA ARG 2 7.589 -0.144 -1.672
16 HB2 ARG 2 HB2 ARG 2 5.675 1.117 -0.366
17 HB3 ARG 2 HB1 ARG 2 4.907 -0.460 -0.373
18 HG2 ARG 2 HG2 ARG 2 6.086 -0.189 1.681
19 HG3 ARG 2 HG1 ARG 2 6.935 -1.389 0.708
20 HD2 ARG 2 HD2 ARG 2 8.447 0.233 1.824
21 HD3 ARG 2 HD1 ARG 2 8.597 0.223 0.068
22 HE ARG 2 HE ARG 2 6.738 2.196 0.858
23 HH11 ARG 2 HH11 ARG 2 10.179 1.547 0.885
24 HH12 ARG 2 HH12 ARG 2 10.621 3.223 0.828
25 HH21 ARG 2 HH21 ARG 2 7.308 4.389 0.783
26 HH22 ARG 2 HH22 ARG 2 8.983 4.846 0.764
27 H ASP 3 HN ASP 3 8.070 -2.273 -1.623
28 HA ASP 3 HA ASP 3 6.328 -4.137 -2.971
29 HB2 ASP 3 HB2 ASP 3 8.763 -4.267 -3.344
30 HB3 ASP 3 HB1 ASP 3 8.995 -4.602 -1.632
31 H GLU 4 HN GLU 4 7.124 -3.131 0.066
32 HA GLU 4 HA GLU 4 5.655 -5.216 1.466
33 HB2 GLU 4 HB2 GLU 4 7.299 -2.876 2.392
34 HB3 GLU 4 HB1 GLU 4 6.277 -3.802 3.474
35 HG2 GLU 4 HG2 GLU 4 8.511 -4.948 1.819
36 HG3 GLU 4 HG1 GLU 4 8.634 -4.516 3.524
37 H CYS 5 HN CYS 5 4.293 -3.635 -0.358
38 HA CYS 5 HA CYS 5 3.237 -1.229 0.357
39 HB2 CYS 5 HB2 CYS 5 2.907 -3.128 -1.664
40 HB3 CYS 5 HB1 CYS 5 1.299 -2.830 -1.037
41 H CYS 6 HN CYS 6 2.117 -4.417 1.396
42 HA CYS 6 HA CYS 6 -0.391 -3.492 2.471
43 HB2 CYS 6 HB2 CYS 6 0.017 -5.833 1.724
44 HB3 CYS 6 HB1 CYS 6 1.162 -6.041 3.039
45 H SER 7 HN SER 7 2.869 -3.834 3.656
46 HA SER 7 HA SER 7 2.281 -3.323 6.408
47 HB2 SER 7 HB2 SER 7 4.483 -4.217 5.281
48 HB3 SER 7 HB1 SER 7 4.816 -2.489 5.054
49 HG SER 7 HG SER 7 4.844 -4.017 7.363
50 H ASN 8 HN ASN 8 2.687 -1.471 3.519
51 HA ASN 8 HA ASN 8 3.536 0.883 4.938
52 HB2 ASN 8 HB2 ASN 8 4.603 0.201 2.826
53 HB3 ASN 8 HB1 ASN 8 3.074 0.452 1.989
54 HD21 ASN 8 HD21 ASN 8 5.707 2.011 3.676
55 HD22 ASN 8 HD22 ASN 8 5.421 3.600 3.045
56 HA PRO 9 HA PRO 9 -0.702 2.299 5.420
57 HB2 PRO 9 HB2 PRO 9 -0.013 4.786 6.317
58 HB3 PRO 9 HB1 PRO 9 0.055 3.338 7.295
59 HG2 PRO 9 HG2 PRO 9 2.275 4.623 5.818
60 HG3 PRO 9 HG1 PRO 9 2.204 4.116 7.521
61 HD2 PRO 9 HD2 PRO 9 3.337 2.551 5.761
62 HD3 PRO 9 HD1 PRO 9 2.265 1.843 6.969
63 H ALA 10 HN ALA 10 1.749 4.366 4.022
64 HA ALA 10 HA ALA 10 0.087 6.098 2.595
65 HB1 ALA 10 HB1 ALA 10 2.060 6.707 1.317
66 HB2 ALA 10 HB2 ALA 10 2.898 5.269 1.900
67 HB3 ALA 10 HB3 ALA 10 2.448 6.546 3.029
68 H CYS 11 HN CYS 11 0.821 2.783 1.905
69 HA CYS 11 HA CYS 11 0.291 3.134 -0.959
70 HB2 CYS 11 HB2 CYS 11 2.132 1.639 -0.652
71 HB3 CYS 11 HB1 CYS 11 1.332 0.813 0.681
72 H ARG 12 HN ARG 12 -0.492 1.310 1.856
73 HA ARG 12 HA ARG 12 -2.780 0.120 1.500
74 HB2 ARG 12 HB2 ARG 12 -1.506 1.583 3.640
75 HB3 ARG 12 HB1 ARG 12 -3.234 1.492 3.804
76 HG2 ARG 12 HG2 ARG 12 -1.899 -0.292 4.980
77 HG3 ARG 12 HG1 ARG 12 -3.200 -0.851 3.949
78 HD2 ARG 12 HD2 ARG 12 -0.474 -0.626 2.821
79 HD3 ARG 12 HD1 ARG 12 -0.898 -2.002 3.847
80 HE ARG 12 HE ARG 12 -1.808 -1.494 1.173
81 HH11 ARG 12 HH11 ARG 12 -2.508 -3.145 4.187
82 HH12 ARG 12 HH12 ARG 12 -3.607 -4.274 3.455
83 HH21 ARG 12 HH21 ARG 12 -3.298 -2.968 0.230
84 HH22 ARG 12 HH22 ARG 12 -4.057 -4.172 1.241
85 H TYR 13 HN TYR 13 -2.502 3.571 2.097
86 HA TYR 13 HA TYR 13 -5.110 4.315 2.342
87 HB2 TYR 13 HB2 TYR 13 -3.036 5.699 2.676
88 HB3 TYR 13 HB1 TYR 13 -3.009 5.929 0.936
89 HD1 TYR 13 HD1 TYR 13 -5.243 6.355 3.835
90 HD2 TYR 13 HD2 TYR 13 -4.067 7.727 0.016
91 HE1 TYR 13 HE1 TYR 13 -6.763 8.249 4.067
92 HE2 TYR 13 HE2 TYR 13 -5.592 9.651 0.230
93 HH TYR 13 HH TYR 13 -7.006 10.554 3.159
94 H ASN 14 HN ASN 14 -3.395 3.567 -0.654
95 HA ASN 14 HA ASN 14 -5.773 4.506 -2.138
96 HB2 ASN 14 HB2 ASN 14 -2.902 4.326 -3.088
97 HB3 ASN 14 HB1 ASN 14 -4.273 4.784 -4.092
98 HD21 ASN 14 HD21 ASN 14 -2.064 5.779 -1.635
99 HD22 ASN 14 HD22 ASN 14 -2.521 7.445 -1.607
100 H ASN 15 HN ASN 15 -4.497 1.854 -0.914
101 HA ASN 15 HA ASN 15 -5.091 0.133 -3.185
102 HB2 ASN 15 HB2 ASN 15 -2.469 0.655 -1.960
103 HB3 ASN 15 HB1 ASN 15 -2.786 -0.988 -2.518
104 HD21 ASN 15 HD21 ASN 15 -0.815 0.848 -3.505
105 HD22 ASN 15 HD22 ASN 15 -1.171 1.128 -5.175
106 HA HYP 16 HA HYP 16 -6.065 -1.809 0.901
107 HB2 HYP 16 HB1 HYP 16 -7.832 -0.601 1.575
108 HB3 HYP 16 HB2 HYP 16 -8.842 -1.431 0.389
109 HG HYP 16 HG HYP 16 -9.016 0.708 -0.486
110 HD22 HYP 16 HD22 HYP 16 -7.872 -0.486 -2.203
111 HD23 HYP 16 HD23 HYP 16 -6.828 0.931 -1.985
112 HD1 HYP 16 HD1 HYP 16 -6.314 1.369 0.083
113 H HIS 17 HN HIS 17 -7.014 -2.394 -2.274
114 HA HIS 17 HA HIS 17 -7.760 -5.146 -1.558
115 HB2 HIS 17 HB2 HIS 17 -8.777 -5.454 -3.697
116 HB3 HIS 17 HB1 HIS 17 -9.364 -3.933 -3.053
117 HD1 HIS 17 HD1 HIS 17 -7.096 -5.323 -5.718
118 HD2 HIS 17 HD2 HIS 17 -8.882 -1.725 -4.636
119 HE1 HIS 17 HE1 HIS 17 -6.741 -3.777 -7.670
120 HE2 HIS 17 HE2 HIS 17 -7.748 -1.577 -6.958
121 H VAL 18 HN VAL 18 -5.130 -3.584 -1.941
122 HA VAL 18 HA VAL 18 -3.617 -5.284 -3.681
123 HB VAL 18 HB VAL 18 -3.164 -2.928 -1.996
124 HG11 VAL 18 HG11 VAL 18 -0.925 -4.913 -2.305
125 HG12 VAL 18 HG12 VAL 18 -1.663 -4.379 -0.798
126 HG13 VAL 18 HG13 VAL 18 -0.739 -3.243 -1.776
127 HG21 VAL 18 HG21 VAL 18 -1.746 -3.882 -4.466
128 HG22 VAL 18 HG22 VAL 18 -1.764 -2.241 -3.806
129 HG23 VAL 18 HG23 VAL 18 -3.242 -2.950 -4.456
130 H CYS 19 HN CYS 19 -4.705 -5.236 -0.490
131 HA CYS 19 HA CYS 19 -3.890 -7.823 0.218
132 HB2 CYS 19 HB2 CYS 19 -1.652 -6.949 0.402
133 HB3 CYS 19 HB1 CYS 19 -2.215 -5.549 1.306
Start of MODEL 9
1 H1 ILE 1 HT1 ILE 1 4.598 5.153 -5.889
2 H2 ILE 1 HT2 ILE 1 4.068 5.761 -4.404
3 H3 ILE 1 HT3 ILE 1 2.949 5.412 -5.619
4 HA ILE 1 HA ILE 1 2.936 3.720 -3.908
5 HB ILE 1 HB ILE 1 2.405 3.080 -6.226
6 HG12 ILE 1 HG12 ILE 1 3.999 0.967 -4.766
7 HG13 ILE 1 HG11 ILE 1 2.320 1.383 -4.444
8 HG21 ILE 1 HG21 ILE 1 4.419 3.647 -7.369
9 HG22 ILE 1 HG22 ILE 1 4.142 1.918 -7.582
10 HG23 ILE 1 HG23 ILE 1 5.345 2.483 -6.424
11 HD11 ILE 1 HD11 ILE 1 2.497 -0.649 -5.758
12 HD12 ILE 1 HD12 ILE 1 3.388 0.222 -7.007
13 HD13 ILE 1 HD13 ILE 1 1.704 0.629 -6.677
14 H ARG 2 HN ARG 2 4.060 1.985 -2.862
15 HA ARG 2 HA ARG 2 6.969 2.317 -2.822
16 HB2 ARG 2 HB2 ARG 2 5.099 1.954 -0.482
17 HB3 ARG 2 HB1 ARG 2 6.842 1.788 -0.365
18 HG2 ARG 2 HG2 ARG 2 7.064 4.132 -1.163
19 HG3 ARG 2 HG1 ARG 2 5.308 4.270 -1.088
20 HD2 ARG 2 HD2 ARG 2 5.424 3.662 1.319
21 HD3 ARG 2 HD1 ARG 2 7.182 3.699 1.204
22 HE ARG 2 HE ARG 2 6.136 6.131 0.259
23 HH11 ARG 2 HH11 ARG 2 6.576 4.360 3.250
24 HH12 ARG 2 HH12 ARG 2 6.602 5.787 4.236
25 HH21 ARG 2 HH21 ARG 2 6.163 8.004 1.559
26 HH22 ARG 2 HH22 ARG 2 6.358 7.855 3.274
27 H ASP 3 HN ASP 3 8.175 0.433 -2.222
28 HA ASP 3 HA ASP 3 6.964 -1.958 -3.242
29 HB2 ASP 3 HB2 ASP 3 9.767 -1.271 -2.384
30 HB3 ASP 3 HB1 ASP 3 9.305 -2.879 -2.902
31 H GLU 4 HN GLU 4 6.854 -0.549 -0.510
32 HA GLU 4 HA GLU 4 6.735 -2.967 1.141
33 HB2 GLU 4 HB2 GLU 4 7.303 -0.094 1.721
34 HB3 GLU 4 HB1 GLU 4 6.588 -1.087 2.967
35 HG2 GLU 4 HG2 GLU 4 9.167 -1.715 1.562
36 HG3 GLU 4 HG1 GLU 4 9.049 -0.894 3.119
37 H CYS 5 HN CYS 5 4.804 -2.049 -0.823
38 HA CYS 5 HA CYS 5 2.941 -0.219 0.038
39 HB2 CYS 5 HB2 CYS 5 3.289 -1.379 -2.270
40 HB3 CYS 5 HB1 CYS 5 2.100 -2.531 -1.669
41 H CYS 6 HN CYS 6 2.929 -3.716 0.590
42 HA CYS 6 HA CYS 6 0.238 -3.798 1.523
43 HB2 CYS 6 HB2 CYS 6 1.458 -5.757 0.565
44 HB3 CYS 6 HB1 CYS 6 2.443 -5.803 2.021
45 H SER 7 HN SER 7 3.376 -3.454 3.032
46 HA SER 7 HA SER 7 2.342 -3.488 5.713
47 HB2 SER 7 HB2 SER 7 4.975 -2.904 4.441
48 HB3 SER 7 HB1 SER 7 4.683 -2.383 6.099
49 HG SER 7 HG SER 7 3.932 -4.988 5.578
50 H ASN 8 HN ASN 8 2.964 -1.090 3.251
51 HA ASN 8 HA ASN 8 3.391 0.947 5.247
52 HB2 ASN 8 HB2 ASN 8 4.702 0.703 3.071
53 HB3 ASN 8 HB1 ASN 8 3.278 1.352 2.262
54 HD21 ASN 8 HD21 ASN 8 2.868 3.513 2.363
55 HD22 ASN 8 HD22 ASN 8 3.904 4.652 3.145
56 HA PRO 9 HA PRO 9 -0.994 1.835 5.524
57 HB2 PRO 9 HB2 PRO 9 0.237 4.280 6.712
58 HB3 PRO 9 HB1 PRO 9 -1.095 3.301 7.332
59 HG2 PRO 9 HG2 PRO 9 1.260 3.088 8.398
60 HG3 PRO 9 HG1 PRO 9 0.388 1.594 7.989
61 HD2 PRO 9 HD2 PRO 9 2.607 2.959 6.507
62 HD3 PRO 9 HD1 PRO 9 2.374 1.251 6.861
63 H ALA 10 HN ALA 10 1.358 4.208 4.371
64 HA ALA 10 HA ALA 10 -0.597 5.925 3.197
65 HB1 ALA 10 HB1 ALA 10 1.291 7.121 2.257
66 HB2 ALA 10 HB2 ALA 10 2.369 5.792 2.683
67 HB3 ALA 10 HB3 ALA 10 1.591 6.738 3.952
68 H CYS 11 HN CYS 11 0.656 2.920 2.199
69 HA CYS 11 HA CYS 11 0.513 3.606 -0.657
70 HB2 CYS 11 HB2 CYS 11 2.474 2.213 0.370
71 HB3 CYS 11 HB1 CYS 11 1.284 0.910 0.424
72 H ARG 12 HN ARG 12 -0.478 1.603 1.885
73 HA ARG 12 HA ARG 12 -2.596 0.283 0.877
74 HB2 ARG 12 HB2 ARG 12 -1.712 1.276 3.497
75 HB3 ARG 12 HB1 ARG 12 -3.349 0.691 3.374
76 HG2 ARG 12 HG2 ARG 12 -2.711 -1.457 3.109
77 HG3 ARG 12 HG1 ARG 12 -1.303 -1.017 2.151
78 HD2 ARG 12 HD2 ARG 12 -0.588 -2.001 4.222
79 HD3 ARG 12 HD1 ARG 12 -0.164 -0.287 4.201
80 HE ARG 12 HE ARG 12 -2.403 -0.120 5.531
81 HH11 ARG 12 HH11 ARG 12 -0.042 -2.699 5.778
82 HH12 ARG 12 HH12 ARG 12 -0.379 -3.018 7.449
83 HH21 ARG 12 HH21 ARG 12 -2.864 -0.553 7.723
84 HH22 ARG 12 HH22 ARG 12 -1.990 -1.803 8.553
85 H TYR 13 HN TYR 13 -2.367 3.680 1.533
86 HA TYR 13 HA TYR 13 -5.072 4.335 1.674
87 HB2 TYR 13 HB2 TYR 13 -3.316 5.933 2.195
88 HB3 TYR 13 HB1 TYR 13 -2.754 5.879 0.532
89 HD1 TYR 13 HD1 TYR 13 -5.905 6.532 2.364
90 HD2 TYR 13 HD2 TYR 13 -3.336 7.552 -0.824
91 HE1 TYR 13 HE1 TYR 13 -7.409 8.381 1.765
92 HE2 TYR 13 HE2 TYR 13 -4.811 9.402 -1.443
93 HH TYR 13 HH TYR 13 -7.237 10.000 -1.170
94 H ASN 14 HN ASN 14 -3.031 3.424 -0.996
95 HA ASN 14 HA ASN 14 -5.273 3.879 -2.869
96 HB2 ASN 14 HB2 ASN 14 -3.074 5.052 -3.362
97 HB3 ASN 14 HB1 ASN 14 -2.352 3.460 -3.563
98 HD21 ASN 14 HD21 ASN 14 -1.864 3.637 -5.691
99 HD22 ASN 14 HD22 ASN 14 -3.052 3.757 -6.943
100 H ASN 15 HN ASN 15 -4.324 1.728 -0.890
101 HA ASN 15 HA ASN 15 -4.625 -0.591 -2.617
102 HB2 ASN 15 HB2 ASN 15 -2.373 -0.677 -2.728
103 HB3 ASN 15 HB1 ASN 15 -2.200 0.400 -1.368
104 HD21 ASN 15 HD21 ASN 15 -0.640 -0.550 -0.308
105 HD22 ASN 15 HD22 ASN 15 -0.713 -2.152 0.355
106 HA HYP 16 HA HYP 16 -6.751 -1.446 1.333
107 HB2 HYP 16 HB1 HYP 16 -8.345 0.161 1.314
108 HB3 HYP 16 HB2 HYP 16 -9.237 -0.798 0.126
109 HG HYP 16 HG HYP 16 -8.868 1.069 -1.208
110 HD22 HYP 16 HD22 HYP 16 -7.578 -0.644 -2.280
111 HD23 HYP 16 HD23 HYP 16 -6.411 0.687 -2.150
112 HD1 HYP 16 HD1 HYP 16 -6.280 1.581 -0.226
113 H HIS 17 HN HIS 17 -6.793 -2.381 -1.819
114 HA HIS 17 HA HIS 17 -7.527 -5.091 -1.133
115 HB2 HIS 17 HB2 HIS 17 -9.682 -3.959 -1.860
116 HB3 HIS 17 HB1 HIS 17 -8.952 -3.756 -3.449
117 HD1 HIS 17 HD1 HIS 17 -9.913 -6.550 -1.062
118 HD2 HIS 17 HD2 HIS 17 -9.301 -5.888 -5.119
119 HE1 HIS 17 HE1 HIS 17 -10.583 -8.685 -2.204
120 HE2 HIS 17 HE2 HIS 17 -10.376 -8.196 -4.664
121 H VAL 18 HN VAL 18 -5.102 -3.833 -1.766
122 HA VAL 18 HA VAL 18 -4.528 -4.755 -4.473
123 HB VAL 18 HB VAL 18 -3.607 -2.501 -2.861
124 HG11 VAL 18 HG11 VAL 18 -1.591 -3.997 -2.869
125 HG12 VAL 18 HG12 VAL 18 -1.370 -2.381 -3.541
126 HG13 VAL 18 HG13 VAL 18 -1.536 -3.775 -4.621
127 HG21 VAL 18 HG21 VAL 18 -3.260 -1.498 -5.054
128 HG22 VAL 18 HG22 VAL 18 -4.850 -2.242 -4.924
129 HG23 VAL 18 HG23 VAL 18 -3.570 -3.056 -5.818
130 H CYS 19 HN CYS 19 -3.824 -5.176 -1.143
131 HA CYS 19 HA CYS 19 -1.950 -7.343 -1.814
132 HB2 CYS 19 HB2 CYS 19 -0.932 -5.600 -0.410
133 HB3 CYS 19 HB1 CYS 19 -2.210 -5.807 0.783
Start of MODEL 10
1 H1 ILE 1 HT1 ILE 1 6.797 3.477 -6.361
2 H2 ILE 1 HT2 ILE 1 6.198 4.500 -5.160
3 H3 ILE 1 HT3 ILE 1 5.321 4.270 -6.586
4 HA ILE 1 HA ILE 1 4.353 3.044 -4.760
5 HB ILE 1 HB ILE 1 4.266 0.829 -5.798
6 HG12 ILE 1 HG12 ILE 1 6.467 1.821 -7.623
7 HG13 ILE 1 HG11 ILE 1 6.694 0.655 -6.323
8 HG21 ILE 1 HG21 ILE 1 3.476 1.511 -8.004
9 HG22 ILE 1 HG22 ILE 1 4.305 3.057 -7.830
10 HG23 ILE 1 HG23 ILE 1 2.961 2.654 -6.763
11 HD11 ILE 1 HD11 ILE 1 4.920 0.274 -8.722
12 HD12 ILE 1 HD12 ILE 1 5.202 -0.900 -7.437
13 HD13 ILE 1 HD13 ILE 1 6.524 -0.424 -8.502
14 H ARG 2 HN ARG 2 4.662 0.758 -3.688
15 HA ARG 2 HA ARG 2 7.363 0.627 -2.549
16 HB2 ARG 2 HB2 ARG 2 4.780 0.327 -1.004
17 HB3 ARG 2 HB1 ARG 2 6.402 0.205 -0.341
18 HG2 ARG 2 HG2 ARG 2 5.214 2.687 -1.562
19 HG3 ARG 2 HG1 ARG 2 5.327 2.349 0.167
20 HD2 ARG 2 HD2 ARG 2 7.741 2.306 0.034
21 HD3 ARG 2 HD1 ARG 2 7.674 2.521 -1.715
22 HE ARG 2 HE ARG 2 6.316 4.637 -0.437
23 HH11 ARG 2 HH11 ARG 2 9.539 3.406 -0.977
24 HH12 ARG 2 HH12 ARG 2 10.287 4.971 -0.931
25 HH21 ARG 2 HH21 ARG 2 7.293 6.710 -0.377
26 HH22 ARG 2 HH22 ARG 2 9.008 6.849 -0.585
27 H ASP 3 HN ASP 3 8.048 -1.422 -1.863
28 HA ASP 3 HA ASP 3 6.542 -3.659 -2.952
29 HB2 ASP 3 HB2 ASP 3 8.912 -3.598 -3.542
30 HB3 ASP 3 HB1 ASP 3 9.349 -3.515 -1.841
31 H GLU 4 HN GLU 4 6.844 -1.986 -0.297
32 HA GLU 4 HA GLU 4 6.273 -4.155 1.598
33 HB2 GLU 4 HB2 GLU 4 7.262 -1.337 1.917
34 HB3 GLU 4 HB1 GLU 4 6.579 -2.228 3.261
35 HG2 GLU 4 HG2 GLU 4 8.915 -3.179 1.628
36 HG3 GLU 4 HG1 GLU 4 9.064 -2.278 3.138
37 H CYS 5 HN CYS 5 4.386 -3.098 -0.328
38 HA CYS 5 HA CYS 5 2.850 -0.992 0.541
39 HB2 CYS 5 HB2 CYS 5 2.733 -3.081 -1.490
40 HB3 CYS 5 HB1 CYS 5 1.175 -2.459 -1.006
41 H CYS 6 HN CYS 6 2.572 -4.402 1.406
42 HA CYS 6 HA CYS 6 -0.088 -4.185 2.407
43 HB2 CYS 6 HB2 CYS 6 0.949 -6.341 1.749
44 HB3 CYS 6 HB1 CYS 6 2.028 -6.221 3.133
45 H SER 7 HN SER 7 3.092 -3.686 3.764
46 HA SER 7 HA SER 7 2.076 -3.230 6.432
47 HB2 SER 7 HB2 SER 7 4.791 -2.418 5.513
48 HB3 SER 7 HB1 SER 7 4.295 -3.118 7.050
49 HG SER 7 HG SER 7 5.490 -4.560 5.591
50 H ASN 8 HN ASN 8 2.721 -1.472 3.542
51 HA ASN 8 HA ASN 8 3.560 0.917 4.894
52 HB2 ASN 8 HB2 ASN 8 4.564 0.079 2.741
53 HB3 ASN 8 HB1 ASN 8 3.052 0.506 1.946
54 HD21 ASN 8 HD21 ASN 8 2.650 2.620 1.449
55 HD22 ASN 8 HD22 ASN 8 3.793 3.891 1.690
56 HA PRO 9 HA PRO 9 -0.737 2.117 5.408
57 HB2 PRO 9 HB2 PRO 9 -0.165 4.625 6.355
58 HB3 PRO 9 HB1 PRO 9 -0.056 3.162 7.306
59 HG2 PRO 9 HG2 PRO 9 2.134 4.570 5.899
60 HG3 PRO 9 HG1 PRO 9 2.058 4.007 7.584
61 HD2 PRO 9 HD2 PRO 9 3.281 2.542 5.801
62 HD3 PRO 9 HD1 PRO 9 2.215 1.754 6.965
63 H ALA 10 HN ALA 10 1.615 4.326 4.063
64 HA ALA 10 HA ALA 10 -0.180 5.981 2.675
65 HB1 ALA 10 HB1 ALA 10 2.711 5.466 2.021
66 HB2 ALA 10 HB2 ALA 10 2.124 6.616 3.222
67 HB3 ALA 10 HB3 ALA 10 1.749 6.855 1.516
68 H CYS 11 HN CYS 11 0.665 2.740 1.917
69 HA CYS 11 HA CYS 11 0.384 3.232 -0.971
70 HB2 CYS 11 HB2 CYS 11 2.249 1.719 -0.466
71 HB3 CYS 11 HB1 CYS 11 1.198 0.723 0.543
72 H ARG 12 HN ARG 12 -0.526 1.242 1.673
73 HA ARG 12 HA ARG 12 -2.793 0.079 0.952
74 HB2 ARG 12 HB2 ARG 12 -1.612 1.137 3.402
75 HB3 ARG 12 HB1 ARG 12 -3.307 0.745 3.484
76 HG2 ARG 12 HG2 ARG 12 -2.947 -1.490 3.253
77 HG3 ARG 12 HG1 ARG 12 -1.497 -1.254 2.280
78 HD2 ARG 12 HD2 ARG 12 -1.022 -2.178 4.518
79 HD3 ARG 12 HD1 ARG 12 -0.231 -0.628 4.213
80 HE ARG 12 HE ARG 12 -2.462 0.149 5.464
81 HH11 ARG 12 HH11 ARG 12 -0.233 -2.440 6.231
82 HH12 ARG 12 HH12 ARG 12 -0.432 -2.272 7.946
83 HH21 ARG 12 HH21 ARG 12 -2.742 0.360 7.713
84 HH22 ARG 12 HH22 ARG 12 -1.876 -0.691 8.791
85 H TYR 13 HN TYR 13 -2.419 3.399 1.985
86 HA TYR 13 HA TYR 13 -4.979 4.242 2.375
87 HB2 TYR 13 HB2 TYR 13 -2.772 5.476 2.647
88 HB3 TYR 13 HB1 TYR 13 -2.905 5.860 0.942
89 HD1 TYR 13 HD1 TYR 13 -4.979 6.076 4.015
90 HD2 TYR 13 HD2 TYR 13 -3.784 7.838 0.364
91 HE1 TYR 13 HE1 TYR 13 -6.309 8.078 4.553
92 HE2 TYR 13 HE2 TYR 13 -5.096 9.829 0.874
93 HH TYR 13 HH TYR 13 -6.979 10.514 2.245
94 H ASN 14 HN ASN 14 -3.388 3.588 -0.702
95 HA ASN 14 HA ASN 14 -5.819 4.550 -2.091
96 HB2 ASN 14 HB2 ASN 14 -3.713 5.786 -2.652
97 HB3 ASN 14 HB1 ASN 14 -3.018 4.274 -3.218
98 HD21 ASN 14 HD21 ASN 14 -6.354 5.286 -3.706
99 HD22 ASN 14 HD22 ASN 14 -6.240 5.444 -5.422
100 H ASN 15 HN ASN 15 -4.441 1.917 -0.917
101 HA ASN 15 HA ASN 15 -5.068 0.165 -3.171
102 HB2 ASN 15 HB2 ASN 15 -2.472 0.629 -1.825
103 HB3 ASN 15 HB1 ASN 15 -2.797 -0.962 -2.518
104 HD21 ASN 15 HD21 ASN 15 -0.786 1.002 -3.254
105 HD22 ASN 15 HD22 ASN 15 -1.054 1.377 -4.920
106 HA HYP 16 HA HYP 16 -6.143 -1.644 0.960
107 HB2 HYP 16 HB1 HYP 16 -7.919 -0.378 1.526
108 HB3 HYP 16 HB2 HYP 16 -8.908 -1.280 0.374
109 HG HYP 16 HG HYP 16 -9.070 0.794 -0.644
110 HD22 HYP 16 HD22 HYP 16 -7.861 -0.465 -2.255
111 HD23 HYP 16 HD23 HYP 16 -6.832 0.967 -2.075
112 HD1 HYP 16 HD1 HYP 16 -6.400 1.506 -0.018
113 H HIS 17 HN HIS 17 -6.848 -2.302 -2.205
114 HA HIS 17 HA HIS 17 -7.821 -5.014 -1.603
115 HB2 HIS 17 HB2 HIS 17 -7.736 -3.485 -4.209
116 HB3 HIS 17 HB1 HIS 17 -8.135 -5.191 -4.108
117 HD1 HIS 17 HD1 HIS 17 -10.463 -5.818 -3.245
118 HD2 HIS 17 HD2 HIS 17 -9.733 -1.727 -3.281
119 HE1 HIS 17 HE1 HIS 17 -12.701 -4.729 -2.895
120 HE2 HIS 17 HE2 HIS 17 -12.259 -2.262 -3.140
121 H VAL 18 HN VAL 18 -4.999 -3.538 -1.722
122 HA VAL 18 HA VAL 18 -3.542 -5.319 -3.433
123 HB VAL 18 HB VAL 18 -2.927 -2.924 -1.798
124 HG11 VAL 18 HG11 VAL 18 -0.794 -4.797 -2.778
125 HG12 VAL 18 HG12 VAL 18 -1.219 -4.498 -1.096
126 HG13 VAL 18 HG13 VAL 18 -0.538 -3.201 -2.075
127 HG21 VAL 18 HG21 VAL 18 -1.892 -2.166 -3.870
128 HG22 VAL 18 HG22 VAL 18 -3.548 -2.706 -4.145
129 HG23 VAL 18 HG23 VAL 18 -2.195 -3.741 -4.604
130 H CYS 19 HN CYS 19 -4.009 -4.741 -0.043
131 HA CYS 19 HA CYS 19 -3.681 -7.420 0.717
132 HB2 CYS 19 HB2 CYS 19 -1.277 -6.877 0.272
133 HB3 CYS 19 HB1 CYS 19 -1.368 -5.635 1.514
Start of MODEL 11
1 H1 ILE 1 HT1 ILE 1 5.985 4.207 -6.196
2 H2 ILE 1 HT2 ILE 1 4.976 3.992 -7.533
3 H3 ILE 1 HT3 ILE 1 6.388 3.074 -7.381
4 HA ILE 1 HA ILE 1 4.038 2.937 -5.592
5 HB ILE 1 HB ILE 1 5.091 0.853 -7.514
6 HG12 ILE 1 HG12 ILE 1 2.661 2.639 -7.802
7 HG13 ILE 1 HG11 ILE 1 4.149 2.788 -8.731
8 HG21 ILE 1 HG21 ILE 1 2.553 0.978 -5.891
9 HG22 ILE 1 HG22 ILE 1 3.939 -0.066 -5.581
10 HG23 ILE 1 HG23 ILE 1 2.975 -0.293 -7.039
11 HD11 ILE 1 HD11 ILE 1 2.420 1.688 -10.020
12 HD12 ILE 1 HD12 ILE 1 2.260 0.447 -8.779
13 HD13 ILE 1 HD13 ILE 1 3.756 0.581 -9.702
14 H ARG 2 HN ARG 2 4.297 1.620 -3.788
15 HA ARG 2 HA ARG 2 7.045 0.969 -3.087
16 HB2 ARG 2 HB2 ARG 2 4.505 0.850 -1.456
17 HB3 ARG 2 HB1 ARG 2 6.079 0.377 -0.852
18 HG2 ARG 2 HG2 ARG 2 5.810 2.508 -0.015
19 HG3 ARG 2 HG1 ARG 2 6.799 2.772 -1.449
20 HD2 ARG 2 HD2 ARG 2 4.939 3.567 -2.687
21 HD3 ARG 2 HD1 ARG 2 3.801 3.029 -1.453
22 HE ARG 2 HE ARG 2 5.603 4.864 -0.314
23 HH11 ARG 2 HH11 ARG 2 2.926 4.776 -2.574
24 HH12 ARG 2 HH12 ARG 2 2.436 6.408 -2.240
25 HH21 ARG 2 HH21 ARG 2 4.957 6.998 0.118
26 HH22 ARG 2 HH22 ARG 2 3.589 7.671 -0.713
27 H ASP 3 HN ASP 3 7.669 -1.118 -2.383
28 HA ASP 3 HA ASP 3 6.005 -3.260 -3.476
29 HB2 ASP 3 HB2 ASP 3 8.283 -3.107 -4.432
30 HB3 ASP 3 HB1 ASP 3 8.954 -3.315 -2.819
31 H GLU 4 HN GLU 4 6.473 -1.760 -0.831
32 HA GLU 4 HA GLU 4 6.088 -4.083 0.922
33 HB2 GLU 4 HB2 GLU 4 7.185 -1.334 1.449
34 HB3 GLU 4 HB1 GLU 4 6.602 -2.371 2.732
35 HG2 GLU 4 HG2 GLU 4 8.793 -3.088 0.807
36 HG3 GLU 4 HG1 GLU 4 9.043 -2.479 2.444
37 H CYS 5 HN CYS 5 4.227 -2.804 -0.817
38 HA CYS 5 HA CYS 5 2.691 -0.769 0.244
39 HB2 CYS 5 HB2 CYS 5 2.689 -1.776 -2.112
40 HB3 CYS 5 HB1 CYS 5 1.536 -2.947 -1.478
41 H CYS 6 HN CYS 6 2.595 -4.175 0.947
42 HA CYS 6 HA CYS 6 -0.009 -4.211 2.103
43 HB2 CYS 6 HB2 CYS 6 1.152 -6.251 1.271
44 HB3 CYS 6 HB1 CYS 6 2.300 -6.106 2.598
45 H SER 7 HN SER 7 3.231 -3.641 3.260
46 HA SER 7 HA SER 7 2.485 -3.385 6.012
47 HB2 SER 7 HB2 SER 7 4.925 -2.833 4.391
48 HB3 SER 7 HB1 SER 7 4.791 -2.147 6.009
49 HG SER 7 HG SER 7 5.041 -4.096 6.841
50 H ASN 8 HN ASN 8 2.918 -1.258 3.253
51 HA ASN 8 HA ASN 8 3.353 1.030 4.848
52 HB2 ASN 8 HB2 ASN 8 2.972 0.527 1.904
53 HB3 ASN 8 HB1 ASN 8 3.250 2.117 2.556
54 HD21 ASN 8 HD21 ASN 8 5.093 1.228 4.609
55 HD22 ASN 8 HD22 ASN 8 6.556 0.806 3.795
56 HA PRO 9 HA PRO 9 -1.145 1.686 5.333
57 HB2 PRO 9 HB2 PRO 9 0.008 4.062 6.701
58 HB3 PRO 9 HB1 PRO 9 -1.252 2.963 7.268
59 HG2 PRO 9 HG2 PRO 9 1.144 2.833 8.276
60 HG3 PRO 9 HG1 PRO 9 0.339 1.320 7.805
61 HD2 PRO 9 HD2 PRO 9 2.425 2.895 6.324
62 HD3 PRO 9 HD1 PRO 9 2.335 1.162 6.633
63 H ALA 10 HN ALA 10 1.300 3.940 4.235
64 HA ALA 10 HA ALA 10 -0.612 5.791 3.123
65 HB1 ALA 10 HB1 ALA 10 2.370 5.663 2.712
66 HB2 ALA 10 HB2 ALA 10 1.551 6.559 3.992
67 HB3 ALA 10 HB3 ALA 10 1.310 7.012 2.304
68 H CYS 11 HN CYS 11 0.623 2.804 2.098
69 HA CYS 11 HA CYS 11 0.544 3.560 -0.745
70 HB2 CYS 11 HB2 CYS 11 2.474 2.132 0.020
71 HB3 CYS 11 HB1 CYS 11 1.310 0.904 0.515
72 H ARG 12 HN ARG 12 -0.500 1.362 1.681
73 HA ARG 12 HA ARG 12 -2.681 0.199 0.669
74 HB2 ARG 12 HB2 ARG 12 -1.692 1.049 3.285
75 HB3 ARG 12 HB1 ARG 12 -3.384 0.639 3.210
76 HG2 ARG 12 HG2 ARG 12 -2.976 -1.566 2.839
77 HG3 ARG 12 HG1 ARG 12 -1.484 -1.241 1.961
78 HD2 ARG 12 HD2 ARG 12 -1.112 -2.348 4.138
79 HD3 ARG 12 HD1 ARG 12 -0.313 -0.779 3.994
80 HE ARG 12 HE ARG 12 -2.600 -0.104 5.203
81 HH11 ARG 12 HH11 ARG 12 -0.410 -2.755 5.866
82 HH12 ARG 12 HH12 ARG 12 -0.699 -2.723 7.577
83 HH21 ARG 12 HH21 ARG 12 -2.985 -0.057 7.445
84 HH22 ARG 12 HH22 ARG 12 -2.174 -1.196 8.477
85 H TYR 13 HN TYR 13 -2.332 3.492 1.733
86 HA TYR 13 HA TYR 13 -4.911 4.353 2.011
87 HB2 TYR 13 HB2 TYR 13 -2.850 5.673 2.427
88 HB3 TYR 13 HB1 TYR 13 -2.655 5.836 0.691
89 HD1 TYR 13 HD1 TYR 13 -4.840 6.675 3.490
90 HD2 TYR 13 HD2 TYR 13 -3.760 7.484 -0.511
91 HE1 TYR 13 HE1 TYR 13 -6.243 8.670 3.537
92 HE2 TYR 13 HE2 TYR 13 -5.164 9.509 -0.491
93 HH TYR 13 HH TYR 13 -6.349 10.883 2.326
94 H ASN 14 HN ASN 14 -3.176 3.545 -0.938
95 HA ASN 14 HA ASN 14 -5.538 4.407 -2.495
96 HB2 ASN 14 HB2 ASN 14 -2.645 4.176 -3.365
97 HB3 ASN 14 HB1 ASN 14 -3.986 4.501 -4.455
98 HD21 ASN 14 HD21 ASN 14 -5.016 6.489 -4.371
99 HD22 ASN 14 HD22 ASN 14 -4.297 7.861 -3.603
100 H ASN 15 HN ASN 15 -4.345 1.881 -1.053
101 HA ASN 15 HA ASN 15 -4.853 -0.058 -3.177
102 HB2 ASN 15 HB2 ASN 15 -2.311 0.459 -1.726
103 HB3 ASN 15 HB1 ASN 15 -2.637 -1.153 -2.360
104 HD21 ASN 15 HD21 ASN 15 -0.512 0.657 -3.066
105 HD22 ASN 15 HD22 ASN 15 -0.680 1.005 -4.753
106 HA HYP 16 HA HYP 16 -6.084 -1.244 1.169
107 HB2 HYP 16 HB1 HYP 16 -7.780 0.201 1.495
108 HB3 HYP 16 HB2 HYP 16 -8.824 -0.849 0.532
109 HG HYP 16 HG HYP 16 -8.918 0.985 -0.863
110 HD22 HYP 16 HD22 HYP 16 -7.724 -0.528 -2.230
111 HD23 HYP 16 HD23 HYP 16 -6.646 0.877 -2.255
112 HD1 HYP 16 HD1 HYP 16 -6.254 1.768 -0.352
113 H HIS 17 HN HIS 17 -6.728 -2.399 -1.831
114 HA HIS 17 HA HIS 17 -7.442 -5.025 -0.727
115 HB2 HIS 17 HB2 HIS 17 -8.716 -3.667 -3.100
116 HB3 HIS 17 HB1 HIS 17 -8.781 -5.412 -2.871
117 HD1 HIS 17 HD1 HIS 17 -10.635 -2.427 -2.125
118 HD2 HIS 17 HD2 HIS 17 -9.981 -6.061 -0.211
119 HE1 HIS 17 HE1 HIS 17 -12.474 -2.639 -0.422
120 HE2 HIS 17 HE2 HIS 17 -11.982 -4.785 0.806
121 H VAL 18 HN VAL 18 -4.914 -3.936 -1.377
122 HA VAL 18 HA VAL 18 -4.137 -5.209 -3.864
123 HB VAL 18 HB VAL 18 -3.017 -3.117 -2.112
124 HG11 VAL 18 HG11 VAL 18 -1.211 -4.823 -3.810
125 HG12 VAL 18 HG12 VAL 18 -1.235 -4.781 -2.048
126 HG13 VAL 18 HG13 VAL 18 -0.762 -3.347 -2.956
127 HG21 VAL 18 HG21 VAL 18 -4.174 -2.668 -4.242
128 HG22 VAL 18 HG22 VAL 18 -2.885 -3.522 -5.089
129 HG23 VAL 18 HG23 VAL 18 -2.527 -2.041 -4.197
130 H CYS 19 HN CYS 19 -3.606 -5.364 -0.442
131 HA CYS 19 HA CYS 19 -1.990 -7.789 -0.767
132 HB2 CYS 19 HB2 CYS 19 -1.003 -6.010 0.628
133 HB3 CYS 19 HB1 CYS 19 -2.405 -6.071 1.691
Start of MODEL 12
1 H1 ILE 1 HT1 ILE 1 3.121 3.075 -4.934
2 H2 ILE 1 HT2 ILE 1 2.977 2.971 -6.613
3 H3 ILE 1 HT3 ILE 1 4.374 3.627 -5.924
4 HA ILE 1 HA ILE 1 3.472 0.832 -5.612
5 HB ILE 1 HB ILE 1 5.526 0.313 -6.980
6 HG12 ILE 1 HG12 ILE 1 5.312 3.253 -7.683
7 HG13 ILE 1 HG11 ILE 1 6.631 2.501 -6.793
8 HG21 ILE 1 HG21 ILE 1 3.303 0.084 -7.898
9 HG22 ILE 1 HG22 ILE 1 4.397 0.714 -9.129
10 HG23 ILE 1 HG23 ILE 1 3.269 1.797 -8.315
11 HD11 ILE 1 HD11 ILE 1 7.214 1.190 -8.764
12 HD12 ILE 1 HD12 ILE 1 7.242 2.920 -9.104
13 HD13 ILE 1 HD13 ILE 1 5.888 1.934 -9.654
14 H ARG 2 HN ARG 2 4.597 -0.362 -4.169
15 HA ARG 2 HA ARG 2 7.107 0.519 -3.088
16 HB2 ARG 2 HB2 ARG 2 5.331 1.847 -1.832
17 HB3 ARG 2 HB1 ARG 2 4.764 0.315 -1.180
18 HG2 ARG 2 HG2 ARG 2 6.179 1.377 0.424
19 HG3 ARG 2 HG1 ARG 2 6.996 -0.053 -0.204
20 HD2 ARG 2 HD2 ARG 2 8.218 1.449 -1.789
21 HD3 ARG 2 HD1 ARG 2 7.514 2.819 -0.934
22 HE ARG 2 HE ARG 2 8.993 0.869 0.652
23 HH11 ARG 2 HH11 ARG 2 8.940 3.994 -0.941
24 HH12 ARG 2 HH12 ARG 2 10.305 4.608 -0.069
25 HH21 ARG 2 HH21 ARG 2 10.799 1.671 1.795
26 HH22 ARG 2 HH22 ARG 2 11.364 3.282 1.499
27 H ASP 3 HN ASP 3 8.179 -1.160 -1.999
28 HA ASP 3 HA ASP 3 7.131 -3.772 -2.585
29 HB2 ASP 3 HB2 ASP 3 9.493 -3.303 -3.035
30 HB3 ASP 3 HB1 ASP 3 9.748 -2.941 -1.333
31 H GLU 4 HN GLU 4 6.840 -1.698 -0.234
32 HA GLU 4 HA GLU 4 6.212 -3.681 1.827
33 HB2 GLU 4 HB2 GLU 4 6.875 -0.751 2.053
34 HB3 GLU 4 HB1 GLU 4 6.249 -1.722 3.363
35 HG2 GLU 4 HG2 GLU 4 8.498 -1.746 3.796
36 HG3 GLU 4 HG1 GLU 4 8.292 -3.236 2.880
37 H CYS 5 HN CYS 5 4.549 -2.877 -0.448
38 HA CYS 5 HA CYS 5 2.816 -0.791 0.162
39 HB2 CYS 5 HB2 CYS 5 3.171 -2.758 -1.899
40 HB3 CYS 5 HB1 CYS 5 1.473 -2.525 -1.551
41 H CYS 6 HN CYS 6 2.747 -4.121 1.180
42 HA CYS 6 HA CYS 6 -0.048 -3.948 1.963
43 HB2 CYS 6 HB2 CYS 6 1.047 -6.069 1.072
44 HB3 CYS 6 HB1 CYS 6 1.876 -6.179 2.622
45 H SER 7 HN SER 7 3.101 -3.539 3.305
46 HA SER 7 HA SER 7 2.227 -3.556 6.054
47 HB2 SER 7 HB2 SER 7 4.779 -2.280 5.373
48 HB3 SER 7 HB1 SER 7 4.444 -3.592 6.506
49 HG SER 7 HG SER 7 5.068 -4.956 5.048
50 H ASN 8 HN ASN 8 2.788 -1.281 3.475
51 HA ASN 8 HA ASN 8 3.169 0.906 5.328
52 HB2 ASN 8 HB2 ASN 8 4.725 0.696 3.472
53 HB3 ASN 8 HB1 ASN 8 3.400 0.784 2.312
54 HD21 ASN 8 HD21 ASN 8 4.435 2.561 1.340
55 HD22 ASN 8 HD22 ASN 8 4.378 4.134 2.050
56 HA PRO 9 HA PRO 9 -1.200 1.982 5.125
57 HB2 PRO 9 HB2 PRO 9 0.055 4.368 6.393
58 HB3 PRO 9 HB1 PRO 9 -1.388 3.481 6.892
59 HG2 PRO 9 HG2 PRO 9 0.847 3.195 8.194
60 HG3 PRO 9 HG1 PRO 9 -0.089 1.742 7.777
61 HD2 PRO 9 HD2 PRO 9 2.362 2.871 6.466
62 HD3 PRO 9 HD1 PRO 9 1.959 1.200 6.863
63 H ALA 10 HN ALA 10 1.531 3.922 4.096
64 HA ALA 10 HA ALA 10 0.051 5.947 2.776
65 HB1 ALA 10 HB1 ALA 10 2.879 5.050 2.255
66 HB2 ALA 10 HB2 ALA 10 2.385 6.235 3.463
67 HB3 ALA 10 HB3 ALA 10 2.155 6.575 1.748
68 H CYS 11 HN CYS 11 0.765 2.670 1.848
69 HA CYS 11 HA CYS 11 0.508 3.333 -1.005
70 HB2 CYS 11 HB2 CYS 11 2.282 1.700 -0.570
71 HB3 CYS 11 HB1 CYS 11 1.187 0.730 0.424
72 H ARG 12 HN ARG 12 -0.502 1.309 1.541
73 HA ARG 12 HA ARG 12 -2.758 0.187 0.712
74 HB2 ARG 12 HB2 ARG 12 -1.570 1.032 3.229
75 HB3 ARG 12 HB1 ARG 12 -3.270 0.657 3.289
76 HG2 ARG 12 HG2 ARG 12 -2.939 -1.564 2.762
77 HG3 ARG 12 HG1 ARG 12 -1.406 -1.233 1.954
78 HD2 ARG 12 HD2 ARG 12 -1.021 -2.378 4.050
79 HD3 ARG 12 HD1 ARG 12 -0.379 -0.731 4.098
80 HE ARG 12 HE ARG 12 -2.912 -0.549 5.155
81 HH11 ARG 12 HH11 ARG 12 -0.061 -2.438 5.898
82 HH12 ARG 12 HH12 ARG 12 -0.384 -2.494 7.602
83 HH21 ARG 12 HH21 ARG 12 -3.351 -0.650 7.409
84 HH22 ARG 12 HH22 ARG 12 -2.254 -1.496 8.455
85 H TYR 13 HN TYR 13 -2.375 3.490 1.796
86 HA TYR 13 HA TYR 13 -4.965 4.257 2.265
87 HB2 TYR 13 HB2 TYR 13 -2.837 5.592 2.565
88 HB3 TYR 13 HB1 TYR 13 -2.929 5.950 0.849
89 HD1 TYR 13 HD1 TYR 13 -5.019 6.139 3.892
90 HD2 TYR 13 HD2 TYR 13 -3.970 7.829 0.167
91 HE1 TYR 13 HE1 TYR 13 -6.496 8.051 4.357
92 HE2 TYR 13 HE2 TYR 13 -5.428 9.737 0.603
93 HH TYR 13 HH TYR 13 -7.447 10.245 1.983
94 H ASN 14 HN ASN 14 -3.359 3.701 -0.813
95 HA ASN 14 HA ASN 14 -5.875 4.447 -2.175
96 HB2 ASN 14 HB2 ASN 14 -3.865 5.855 -2.758
97 HB3 ASN 14 HB1 ASN 14 -3.100 4.404 -3.389
98 HD21 ASN 14 HD21 ASN 14 -6.527 5.056 -3.726
99 HD22 ASN 14 HD22 ASN 14 -6.496 5.315 -5.434
100 H ASN 15 HN ASN 15 -4.531 1.968 -0.901
101 HA ASN 15 HA ASN 15 -4.940 0.089 -3.097
102 HB2 ASN 15 HB2 ASN 15 -2.425 0.658 -1.624
103 HB3 ASN 15 HB1 ASN 15 -2.693 -0.960 -2.280
104 HD21 ASN 15 HD21 ASN 15 -1.995 2.341 -2.975
105 HD22 ASN 15 HD22 ASN 15 -1.650 2.147 -4.660
106 HA HYP 16 HA HYP 16 -6.153 -1.476 1.100
107 HB2 HYP 16 HB1 HYP 16 -7.961 -0.209 1.537
108 HB3 HYP 16 HB2 HYP 16 -8.901 -1.195 0.415
109 HG HYP 16 HG HYP 16 -9.066 0.814 -0.731
110 HD22 HYP 16 HD22 HYP 16 -7.787 -0.522 -2.230
111 HD23 HYP 16 HD23 HYP 16 -6.785 0.936 -2.105
112 HD1 HYP 16 HD1 HYP 16 -6.429 1.605 -0.095
113 H HIS 17 HN HIS 17 -6.763 -2.313 -2.041
114 HA HIS 17 HA HIS 17 -7.607 -5.034 -1.300
115 HB2 HIS 17 HB2 HIS 17 -7.701 -3.602 -3.960
116 HB3 HIS 17 HB1 HIS 17 -7.985 -5.328 -3.792
117 HD1 HIS 17 HD1 HIS 17 -10.087 -3.132 -4.779
118 HD2 HIS 17 HD2 HIS 17 -9.918 -4.907 -1.025
119 HE1 HIS 17 HE1 HIS 17 -12.412 -2.953 -3.840
120 HE2 HIS 17 HE2 HIS 17 -12.242 -3.879 -1.506
121 H VAL 18 HN VAL 18 -4.924 -3.598 -1.228
122 HA VAL 18 HA VAL 18 -3.292 -5.165 -3.007
123 HB VAL 18 HB VAL 18 -2.947 -2.829 -1.326
124 HG11 VAL 18 HG11 VAL 18 -0.621 -3.141 -0.711
125 HG12 VAL 18 HG12 VAL 18 -0.672 -4.803 -1.296
126 HG13 VAL 18 HG13 VAL 18 -1.642 -4.329 0.095
127 HG21 VAL 18 HG21 VAL 18 -1.208 -2.327 -2.956
128 HG22 VAL 18 HG22 VAL 18 -2.703 -2.851 -3.731
129 HG23 VAL 18 HG23 VAL 18 -1.343 -3.965 -3.599
130 H CYS 19 HN CYS 19 -4.409 -5.236 0.211
131 HA CYS 19 HA CYS 19 -2.769 -7.592 0.812
132 HB2 CYS 19 HB2 CYS 19 -4.307 -5.784 2.689
133 HB3 CYS 19 HB1 CYS 19 -3.365 -7.188 3.176
Start of MODEL 13
1 H1 ILE 1 HT1 ILE 1 5.800 4.172 -5.286
2 H2 ILE 1 HT2 ILE 1 5.433 3.534 -6.806
3 H3 ILE 1 HT3 ILE 1 7.007 3.424 -6.199
4 HA ILE 1 HA ILE 1 4.632 2.115 -5.028
5 HB ILE 1 HB ILE 1 5.286 1.144 -7.194
6 HG12 ILE 1 HG12 ILE 1 5.650 -1.203 -6.400
7 HG13 ILE 1 HG11 ILE 1 5.879 -0.561 -4.777
8 HG21 ILE 1 HG21 ILE 1 7.943 0.623 -5.880
9 HG22 ILE 1 HG22 ILE 1 7.639 1.744 -7.205
10 HG23 ILE 1 HG23 ILE 1 7.437 0.010 -7.454
11 HD11 ILE 1 HD11 ILE 1 3.628 -1.423 -5.094
12 HD12 ILE 1 HD12 ILE 1 3.380 -0.302 -6.433
13 HD13 ILE 1 HD13 ILE 1 3.609 0.316 -4.798
14 H ARG 2 HN ARG 2 5.033 0.881 -3.221
15 HA ARG 2 HA ARG 2 7.561 1.439 -1.852
16 HB2 ARG 2 HB2 ARG 2 4.820 0.752 -0.844
17 HB3 ARG 2 HB1 ARG 2 6.226 0.524 0.170
18 HG2 ARG 2 HG2 ARG 2 5.225 2.602 0.745
19 HG3 ARG 2 HG1 ARG 2 6.739 2.943 -0.092
20 HD2 ARG 2 HD2 ARG 2 4.439 2.789 -1.875
21 HD3 ARG 2 HD1 ARG 2 4.292 4.059 -0.662
22 HE ARG 2 HE ARG 2 6.852 4.070 -1.935
23 HH11 ARG 2 HH11 ARG 2 3.513 5.025 -2.376
24 HH12 ARG 2 HH12 ARG 2 3.905 6.380 -3.389
25 HH21 ARG 2 HH21 ARG 2 7.367 5.828 -3.281
26 HH22 ARG 2 HH22 ARG 2 6.094 6.833 -3.906
27 H ASP 3 HN ASP 3 8.543 -0.284 -0.634
28 HA ASP 3 HA ASP 3 8.410 -2.794 -2.090
29 HB2 ASP 3 HB2 ASP 3 10.602 -1.615 -1.588
30 HB3 ASP 3 HB1 ASP 3 10.350 -2.053 0.095
31 H GLU 4 HN GLU 4 7.472 -1.411 0.743
32 HA GLU 4 HA GLU 4 6.644 -3.972 1.917
33 HB2 GLU 4 HB2 GLU 4 7.303 -1.319 3.167
34 HB3 GLU 4 HB1 GLU 4 6.350 -2.531 3.996
35 HG2 GLU 4 HG2 GLU 4 9.164 -2.861 3.001
36 HG3 GLU 4 HG1 GLU 4 8.669 -2.646 4.680
37 H CYS 5 HN CYS 5 5.367 -2.557 -0.186
38 HA CYS 5 HA CYS 5 3.498 -0.645 0.438
39 HB2 CYS 5 HB2 CYS 5 4.284 -2.124 -1.791
40 HB3 CYS 5 HB1 CYS 5 2.566 -2.431 -1.631
41 H CYS 6 HN CYS 6 3.306 -4.090 0.913
42 HA CYS 6 HA CYS 6 0.460 -4.210 1.144
43 HB2 CYS 6 HB2 CYS 6 1.793 -6.172 0.498
44 HB3 CYS 6 HB1 CYS 6 2.574 -6.164 2.075
45 H SER 7 HN SER 7 3.047 -3.411 3.282
46 HA SER 7 HA SER 7 1.268 -3.550 5.619
47 HB2 SER 7 HB2 SER 7 3.754 -4.435 5.534
48 HB3 SER 7 HB1 SER 7 4.129 -2.719 5.755
49 HG SER 7 HG SER 7 3.956 -3.885 7.747
50 H ASN 8 HN ASN 8 2.740 -1.393 3.374
51 HA ASN 8 HA ASN 8 3.213 0.724 5.163
52 HB2 ASN 8 HB2 ASN 8 3.350 0.283 2.227
53 HB3 ASN 8 HB1 ASN 8 3.370 1.921 2.818
54 HD21 ASN 8 HD21 ASN 8 4.806 1.143 5.290
55 HD22 ASN 8 HD22 ASN 8 6.437 0.865 4.796
56 HA PRO 9 HA PRO 9 -1.060 2.051 5.453
57 HB2 PRO 9 HB2 PRO 9 0.429 4.430 6.462
58 HB3 PRO 9 HB1 PRO 9 -0.971 3.623 7.171
59 HG2 PRO 9 HG2 PRO 9 1.384 3.265 8.201
60 HG3 PRO 9 HG1 PRO 9 0.366 1.836 7.915
61 HD2 PRO 9 HD2 PRO 9 2.653 2.893 6.287
62 HD3 PRO 9 HD1 PRO 9 2.292 1.239 6.778
63 H ALA 10 HN ALA 10 1.518 4.069 4.112
64 HA ALA 10 HA ALA 10 -0.316 5.868 2.825
65 HB1 ALA 10 HB1 ALA 10 1.878 6.625 3.599
66 HB2 ALA 10 HB2 ALA 10 1.669 6.897 1.869
67 HB3 ALA 10 HB3 ALA 10 2.655 5.550 2.437
68 H CYS 11 HN CYS 11 0.693 2.738 2.075
69 HA CYS 11 HA CYS 11 0.650 3.219 -0.829
70 HB2 CYS 11 HB2 CYS 11 2.436 1.691 -0.102
71 HB3 CYS 11 HB1 CYS 11 1.262 0.719 0.795
72 H ARG 12 HN ARG 12 -0.533 1.421 1.804
73 HA ARG 12 HA ARG 12 -2.747 0.228 0.896
74 HB2 ARG 12 HB2 ARG 12 -1.779 1.309 3.440
75 HB3 ARG 12 HB1 ARG 12 -3.445 0.836 3.367
76 HG2 ARG 12 HG2 ARG 12 -2.973 -1.375 3.077
77 HG3 ARG 12 HG1 ARG 12 -1.375 -1.038 2.400
78 HD2 ARG 12 HD2 ARG 12 -0.483 -0.499 4.471
79 HD3 ARG 12 HD1 ARG 12 -2.073 -0.357 5.230
80 HE ARG 12 HE ARG 12 -1.353 -2.953 4.181
81 HH11 ARG 12 HH11 ARG 12 -1.733 -0.892 6.975
82 HH12 ARG 12 HH12 ARG 12 -1.606 -2.191 8.120
83 HH21 ARG 12 HH21 ARG 12 -1.168 -4.675 5.675
84 HH22 ARG 12 HH22 ARG 12 -1.289 -4.349 7.375
85 H TYR 13 HN TYR 13 -2.289 3.604 1.543
86 HA TYR 13 HA TYR 13 -4.774 4.547 2.071
87 HB2 TYR 13 HB2 TYR 13 -2.683 5.870 2.031
88 HB3 TYR 13 HB1 TYR 13 -2.764 5.870 0.277
89 HD1 TYR 13 HD1 TYR 13 -4.790 6.772 3.218
90 HD2 TYR 13 HD2 TYR 13 -3.787 7.590 -0.802
91 HE1 TYR 13 HE1 TYR 13 -6.193 8.769 3.295
92 HE2 TYR 13 HE2 TYR 13 -5.198 9.611 -0.754
93 HH TYR 13 HH TYR 13 -6.462 10.880 2.176
94 H ASN 14 HN ASN 14 -3.456 3.835 -1.175
95 HA ASN 14 HA ASN 14 -6.197 4.293 -2.203
96 HB2 ASN 14 HB2 ASN 14 -4.403 5.856 -3.095
97 HB3 ASN 14 HB1 ASN 14 -3.657 4.448 -3.844
98 HD21 ASN 14 HD21 ASN 14 -3.968 5.275 -5.917
99 HD22 ASN 14 HD22 ASN 14 -5.528 5.326 -6.664
100 H ASN 15 HN ASN 15 -4.394 2.038 -1.106
101 HA ASN 15 HA ASN 15 -4.968 0.031 -3.156
102 HB2 ASN 15 HB2 ASN 15 -2.357 0.738 -1.900
103 HB3 ASN 15 HB1 ASN 15 -2.600 -0.828 -2.684
104 HD21 ASN 15 HD21 ASN 15 -1.967 2.508 -3.085
105 HD22 ASN 15 HD22 ASN 15 -1.842 2.520 -4.811
106 HA HYP 16 HA HYP 16 -5.668 -1.297 1.254
107 HB2 HYP 16 HB1 HYP 16 -7.409 0.059 1.721
108 HB3 HYP 16 HB2 HYP 16 -8.462 -1.115 0.929
109 HG HYP 16 HG HYP 16 -8.897 0.613 -0.524
110 HD22 HYP 16 HD22 HYP 16 -7.653 -0.769 -1.983
111 HD23 HYP 16 HD23 HYP 16 -6.746 0.748 -2.115
112 HD1 HYP 16 HD1 HYP 16 -6.318 1.737 -0.259
113 H HIS 17 HN HIS 17 -6.393 -2.447 -1.689
114 HA HIS 17 HA HIS 17 -7.026 -5.125 -0.647
115 HB2 HIS 17 HB2 HIS 17 -9.021 -4.025 -1.728
116 HB3 HIS 17 HB1 HIS 17 -8.108 -3.961 -3.230
117 HD1 HIS 17 HD1 HIS 17 -8.691 -5.793 -4.760
118 HD2 HIS 17 HD2 HIS 17 -9.118 -6.927 -0.791
119 HE1 HIS 17 HE1 HIS 17 -9.533 -8.156 -4.821
120 HE2 HIS 17 HE2 HIS 17 -9.579 -8.883 -2.415
121 H VAL 18 HN VAL 18 -4.570 -3.679 -1.379
122 HA VAL 18 HA VAL 18 -3.656 -4.553 -3.903
123 HB VAL 18 HB VAL 18 -2.836 -2.716 -2.003
124 HG11 VAL 18 HG11 VAL 18 -0.646 -4.742 -2.368
125 HG12 VAL 18 HG12 VAL 18 -1.495 -4.403 -0.864
126 HG13 VAL 18 HG13 VAL 18 -0.489 -3.161 -1.606
127 HG21 VAL 18 HG21 VAL 18 -2.779 -2.442 -4.381
128 HG22 VAL 18 HG22 VAL 18 -1.480 -3.627 -4.517
129 HG23 VAL 18 HG23 VAL 18 -1.195 -2.090 -3.693
130 H CYS 19 HN CYS 19 -3.637 -5.898 -0.763
131 HA CYS 19 HA CYS 19 -2.543 -8.367 -1.850
132 HB2 CYS 19 HB2 CYS 19 -1.081 -8.642 0.176
133 HB3 CYS 19 HB1 CYS 19 -0.566 -7.387 -0.942
Start of MODEL 14
1 H1 ILE 1 HT1 ILE 1 3.492 4.365 -4.748
2 H2 ILE 1 HT2 ILE 1 2.822 4.233 -6.294
3 H3 ILE 1 HT3 ILE 1 4.499 4.240 -6.097
4 HA ILE 1 HA ILE 1 2.688 2.165 -5.038
5 HB ILE 1 HB ILE 1 2.756 2.111 -7.490
6 HG12 ILE 1 HG12 ILE 1 3.598 -0.219 -7.771
7 HG13 ILE 1 HG11 ILE 1 4.301 -0.120 -6.161
8 HG21 ILE 1 HG21 ILE 1 4.838 1.641 -8.686
9 HG22 ILE 1 HG22 ILE 1 5.735 1.810 -7.177
10 HG23 ILE 1 HG23 ILE 1 4.892 3.198 -7.860
11 HD11 ILE 1 HD11 ILE 1 1.373 0.095 -6.825
12 HD12 ILE 1 HD12 ILE 1 2.076 0.191 -5.210
13 HD13 ILE 1 HD13 ILE 1 2.186 -1.308 -6.132
14 H ARG 2 HN ARG 2 3.764 0.397 -4.101
15 HA ARG 2 HA ARG 2 6.603 0.588 -3.566
16 HB2 ARG 2 HB2 ARG 2 5.377 2.010 -1.843
17 HB3 ARG 2 HB1 ARG 2 4.624 0.524 -1.284
18 HG2 ARG 2 HG2 ARG 2 6.433 0.984 0.166
19 HG3 ARG 2 HG1 ARG 2 6.917 -0.372 -0.851
20 HD2 ARG 2 HD2 ARG 2 8.143 1.197 -2.306
21 HD3 ARG 2 HD1 ARG 2 7.708 2.513 -1.216
22 HE ARG 2 HE ARG 2 9.001 0.395 0.185
23 HH11 ARG 2 HH11 ARG 2 9.595 3.160 -1.888
24 HH12 ARG 2 HH12 ARG 2 11.230 3.363 -1.353
25 HH21 ARG 2 HH21 ARG 2 11.140 0.645 0.874
26 HH22 ARG 2 HH22 ARG 2 12.115 1.927 0.225
27 H ASP 3 HN ASP 3 7.468 -1.424 -2.869
28 HA ASP 3 HA ASP 3 5.749 -3.686 -3.423
29 HB2 ASP 3 HB2 ASP 3 8.044 -3.608 -4.369
30 HB3 ASP 3 HB1 ASP 3 8.694 -3.646 -2.735
31 H GLU 4 HN GLU 4 6.058 -1.887 -0.990
32 HA GLU 4 HA GLU 4 5.840 -3.969 1.065
33 HB2 GLU 4 HB2 GLU 4 6.561 -1.049 1.307
34 HB3 GLU 4 HB1 GLU 4 6.326 -2.146 2.645
35 HG2 GLU 4 HG2 GLU 4 8.227 -3.456 1.989
36 HG3 GLU 4 HG1 GLU 4 8.407 -2.501 0.516
37 H CYS 5 HN CYS 5 3.859 -3.041 -0.818
38 HA CYS 5 HA CYS 5 2.273 -0.953 0.236
39 HB2 CYS 5 HB2 CYS 5 2.464 -1.827 -2.193
40 HB3 CYS 5 HB1 CYS 5 1.238 -2.995 -1.706
41 H CYS 6 HN CYS 6 2.467 -4.248 1.056
42 HA CYS 6 HA CYS 6 -0.271 -4.468 1.942
43 HB2 CYS 6 HB2 CYS 6 0.984 -6.445 1.120
44 HB3 CYS 6 HB1 CYS 6 2.077 -6.297 2.490
45 H SER 7 HN SER 7 2.802 -3.545 3.254
46 HA SER 7 HA SER 7 1.717 -3.498 5.979
47 HB2 SER 7 HB2 SER 7 4.181 -4.240 5.089
48 HB3 SER 7 HB1 SER 7 4.457 -2.536 5.487
49 HG SER 7 HG SER 7 3.841 -4.692 7.153
50 H ASN 8 HN ASN 8 2.716 -1.424 3.357
51 HA ASN 8 HA ASN 8 3.296 0.803 5.066
52 HB2 ASN 8 HB2 ASN 8 4.587 0.396 3.016
53 HB3 ASN 8 HB1 ASN 8 3.130 0.630 2.055
54 HD21 ASN 8 HD21 ASN 8 5.580 2.173 3.969
55 HD22 ASN 8 HD22 ASN 8 5.219 3.795 3.486
56 HA PRO 9 HA PRO 9 -1.039 1.973 5.321
57 HB2 PRO 9 HB2 PRO 9 0.320 4.373 6.441
58 HB3 PRO 9 HB1 PRO 9 -1.039 3.463 7.104
59 HG2 PRO 9 HG2 PRO 9 1.331 3.205 8.143
60 HG3 PRO 9 HG1 PRO 9 0.389 1.734 7.809
61 HD2 PRO 9 HD2 PRO 9 2.625 2.956 6.219
62 HD3 PRO 9 HD1 PRO 9 2.353 1.274 6.674
63 H ALA 10 HN ALA 10 1.508 4.049 4.056
64 HA ALA 10 HA ALA 10 -0.281 5.965 2.922
65 HB1 ALA 10 HB1 ALA 10 1.989 6.560 3.598
66 HB2 ALA 10 HB2 ALA 10 1.701 6.923 1.896
67 HB3 ALA 10 HB3 ALA 10 2.638 5.499 2.346
68 H CYS 11 HN CYS 11 0.729 2.850 1.908
69 HA CYS 11 HA CYS 11 0.468 3.526 -0.940
70 HB2 CYS 11 HB2 CYS 11 2.405 2.054 -0.201
71 HB3 CYS 11 HB1 CYS 11 1.213 0.866 0.332
72 H ARG 12 HN ARG 12 -0.453 1.435 1.618
73 HA ARG 12 HA ARG 12 -2.678 0.237 0.769
74 HB2 ARG 12 HB2 ARG 12 -1.531 1.137 3.293
75 HB3 ARG 12 HB1 ARG 12 -3.232 0.762 3.343
76 HG2 ARG 12 HG2 ARG 12 -2.896 -1.457 2.962
77 HG3 ARG 12 HG1 ARG 12 -1.437 -1.175 2.019
78 HD2 ARG 12 HD2 ARG 12 -0.932 -2.256 4.143
79 HD3 ARG 12 HD1 ARG 12 -0.200 -0.652 4.026
80 HE ARG 12 HE ARG 12 -2.284 0.039 5.382
81 HH11 ARG 12 HH11 ARG 12 -0.664 -3.061 5.683
82 HH12 ARG 12 HH12 ARG 12 -1.078 -3.246 7.358
83 HH21 ARG 12 HH21 ARG 12 -2.832 -0.220 7.575
84 HH22 ARG 12 HH22 ARG 12 -2.314 -1.641 8.432
85 H TYR 13 HN TYR 13 -2.330 3.566 1.745
86 HA TYR 13 HA TYR 13 -4.914 4.340 2.194
87 HB2 TYR 13 HB2 TYR 13 -2.911 5.743 2.520
88 HB3 TYR 13 HB1 TYR 13 -2.777 5.906 0.775
89 HD1 TYR 13 HD1 TYR 13 -5.211 6.479 3.500
90 HD2 TYR 13 HD2 TYR 13 -3.697 7.674 -0.257
91 HE1 TYR 13 HE1 TYR 13 -6.703 8.438 3.534
92 HE2 TYR 13 HE2 TYR 13 -5.163 9.627 -0.247
93 HH TYR 13 HH TYR 13 -7.287 10.338 0.787
94 H ASN 14 HN ASN 14 -3.365 3.607 -0.875
95 HA ASN 14 HA ASN 14 -5.812 4.518 -2.278
96 HB2 ASN 14 HB2 ASN 14 -3.742 5.698 -2.977
97 HB3 ASN 14 HB1 ASN 14 -2.995 4.150 -3.354
98 HD21 ASN 14 HD21 ASN 14 -3.624 3.046 -5.210
99 HD22 ASN 14 HD22 ASN 14 -4.534 3.806 -6.466
100 H ASN 15 HN ASN 15 -4.236 1.960 -1.057
101 HA ASN 15 HA ASN 15 -4.992 0.079 -3.171
102 HB2 ASN 15 HB2 ASN 15 -2.355 0.628 -1.922
103 HB3 ASN 15 HB1 ASN 15 -2.669 -0.949 -2.649
104 HD21 ASN 15 HD21 ASN 15 -0.655 0.867 -3.459
105 HD22 ASN 15 HD22 ASN 15 -1.012 1.371 -5.078
106 HA HYP 16 HA HYP 16 -5.791 -1.345 1.196
107 HB2 HYP 16 HB1 HYP 16 -7.600 -0.116 1.701
108 HB3 HYP 16 HB2 HYP 16 -8.593 -1.185 0.708
109 HG HYP 16 HG HYP 16 -8.904 0.741 -0.523
110 HD22 HYP 16 HD22 HYP 16 -7.713 -0.622 -2.051
111 HD23 HYP 16 HD23 HYP 16 -6.735 0.855 -2.071
112 HD1 HYP 16 HD1 HYP 16 -6.263 1.663 -0.138
113 H HIS 17 HN HIS 17 -6.644 -2.474 -1.804
114 HA HIS 17 HA HIS 17 -6.960 -5.162 -0.674
115 HB2 HIS 17 HB2 HIS 17 -8.569 -5.814 -2.377
116 HB3 HIS 17 HB1 HIS 17 -9.178 -4.448 -1.462
117 HD1 HIS 17 HD1 HIS 17 -8.265 -5.536 -4.877
118 HD2 HIS 17 HD2 HIS 17 -9.339 -2.017 -2.949
119 HE1 HIS 17 HE1 HIS 17 -8.915 -3.935 -6.703
120 HE2 HIS 17 HE2 HIS 17 -9.717 -1.872 -5.503
121 H VAL 18 HN VAL 18 -4.652 -3.750 -1.609
122 HA VAL 18 HA VAL 18 -3.923 -4.938 -4.128
123 HB VAL 18 HB VAL 18 -2.850 -2.885 -2.345
124 HG11 VAL 18 HG11 VAL 18 -0.909 -4.584 -3.895
125 HG12 VAL 18 HG12 VAL 18 -1.023 -4.478 -2.140
126 HG13 VAL 18 HG13 VAL 18 -0.540 -3.066 -3.079
127 HG21 VAL 18 HG21 VAL 18 -3.877 -2.461 -4.526
128 HG22 VAL 18 HG22 VAL 18 -2.559 -3.337 -5.301
129 HG23 VAL 18 HG23 VAL 18 -2.231 -1.841 -4.424
130 H CYS 19 HN CYS 19 -3.450 -5.472 -0.773
131 HA CYS 19 HA CYS 19 -1.357 -7.419 -1.110
132 HB2 CYS 19 HB2 CYS 19 -1.447 -5.994 0.910
133 HB3 CYS 19 HB1 CYS 19 -2.975 -6.746 1.357
Start of MODEL 15
1 H1 ILE 1 HT1 ILE 1 7.755 3.824 -6.115
2 H2 ILE 1 HT2 ILE 1 7.448 4.771 -4.755
3 H3 ILE 1 HT3 ILE 1 6.497 4.951 -6.139
4 HA ILE 1 HA ILE 1 5.320 3.713 -4.446
5 HB ILE 1 HB ILE 1 6.151 1.907 -6.717
6 HG12 ILE 1 HG12 ILE 1 5.493 4.082 -7.601
7 HG13 ILE 1 HG11 ILE 1 4.249 2.889 -7.955
8 HG21 ILE 1 HG21 ILE 1 3.592 2.022 -5.138
9 HG22 ILE 1 HG22 ILE 1 4.852 0.800 -4.974
10 HG23 ILE 1 HG23 ILE 1 3.940 0.928 -6.477
11 HD11 ILE 1 HD11 ILE 1 2.897 3.737 -6.119
12 HD12 ILE 1 HD12 ILE 1 3.293 5.018 -7.266
13 HD13 ILE 1 HD13 ILE 1 4.152 4.914 -5.731
14 H ARG 2 HN ARG 2 5.343 2.220 -2.869
15 HA ARG 2 HA ARG 2 7.945 1.387 -1.981
16 HB2 ARG 2 HB2 ARG 2 5.221 0.952 -0.739
17 HB3 ARG 2 HB1 ARG 2 6.764 0.667 0.049
18 HG2 ARG 2 HG2 ARG 2 5.909 3.359 -0.973
19 HG3 ARG 2 HG1 ARG 2 5.612 2.799 0.672
20 HD2 ARG 2 HD2 ARG 2 8.310 3.100 -0.643
21 HD3 ARG 2 HD1 ARG 2 7.613 4.195 0.550
22 HE ARG 2 HE ARG 2 8.825 1.619 1.033
23 HH11 ARG 2 HH11 ARG 2 6.676 4.083 2.295
24 HH12 ARG 2 HH12 ARG 2 6.929 3.631 3.951
25 HH21 ARG 2 HH21 ARG 2 9.169 1.022 3.207
26 HH22 ARG 2 HH22 ARG 2 8.352 1.897 4.472
27 H ASP 3 HN ASP 3 8.592 -0.713 -1.519
28 HA ASP 3 HA ASP 3 7.116 -2.828 -2.892
29 HB2 ASP 3 HB2 ASP 3 9.573 -2.571 -3.368
30 HB3 ASP 3 HB1 ASP 3 9.889 -2.959 -1.681
31 H GLU 4 HN GLU 4 7.063 -1.362 -0.227
32 HA GLU 4 HA GLU 4 6.547 -3.653 1.534
33 HB2 GLU 4 HB2 GLU 4 7.281 -0.793 2.145
34 HB3 GLU 4 HB1 GLU 4 6.792 -1.967 3.343
35 HG2 GLU 4 HG2 GLU 4 8.735 -3.267 3.010
36 HG3 GLU 4 HG1 GLU 4 9.144 -2.390 1.536
37 H CYS 5 HN CYS 5 4.823 -2.506 -0.482
38 HA CYS 5 HA CYS 5 3.121 -0.520 0.394
39 HB2 CYS 5 HB2 CYS 5 3.272 -2.466 -1.786
40 HB3 CYS 5 HB1 CYS 5 1.658 -1.920 -1.403
41 H CYS 6 HN CYS 6 3.027 -3.971 0.989
42 HA CYS 6 HA CYS 6 0.267 -3.945 1.796
43 HB2 CYS 6 HB2 CYS 6 1.666 -5.955 0.896
44 HB3 CYS 6 HB1 CYS 6 2.181 -6.124 2.572
45 H SER 7 HN SER 7 3.348 -3.508 3.314
46 HA SER 7 HA SER 7 2.272 -3.515 6.000
47 HB2 SER 7 HB2 SER 7 4.929 -3.100 4.749
48 HB3 SER 7 HB1 SER 7 4.637 -2.326 6.309
49 HG SER 7 HG SER 7 4.367 -4.303 7.231
50 H ASN 8 HN ASN 8 2.828 -1.273 3.434
51 HA ASN 8 HA ASN 8 3.229 0.924 5.255
52 HB2 ASN 8 HB2 ASN 8 4.683 0.780 3.318
53 HB3 ASN 8 HB1 ASN 8 3.291 0.760 2.238
54 HD21 ASN 8 HD21 ASN 8 3.909 2.560 1.116
55 HD22 ASN 8 HD22 ASN 8 3.894 4.151 1.788
56 HA PRO 9 HA PRO 9 -1.227 1.788 5.209
57 HB2 PRO 9 HB2 PRO 9 -0.043 4.156 6.581
58 HB3 PRO 9 HB1 PRO 9 -1.451 3.198 7.049
59 HG2 PRO 9 HG2 PRO 9 0.803 2.912 8.318
60 HG3 PRO 9 HG1 PRO 9 -0.079 1.452 7.818
61 HD2 PRO 9 HD2 PRO 9 2.306 2.754 6.556
62 HD3 PRO 9 HD1 PRO 9 1.985 1.051 6.861
63 H ALA 10 HN ALA 10 1.389 3.937 4.275
64 HA ALA 10 HA ALA 10 -0.229 5.922 3.053
65 HB1 ALA 10 HB1 ALA 10 2.035 6.394 3.804
66 HB2 ALA 10 HB2 ALA 10 1.853 6.755 2.088
67 HB3 ALA 10 HB3 ALA 10 2.679 5.283 2.597
68 H CYS 11 HN CYS 11 0.772 2.778 1.939
69 HA CYS 11 HA CYS 11 0.541 3.610 -0.875
70 HB2 CYS 11 HB2 CYS 11 2.477 2.143 -0.373
71 HB3 CYS 11 HB1 CYS 11 1.389 0.954 0.347
72 H ARG 12 HN ARG 12 -0.397 1.359 1.530
73 HA ARG 12 HA ARG 12 -2.614 0.207 0.603
74 HB2 ARG 12 HB2 ARG 12 -1.515 1.009 3.180
75 HB3 ARG 12 HB1 ARG 12 -3.216 0.622 3.180
76 HG2 ARG 12 HG2 ARG 12 -2.857 -1.580 2.742
77 HG3 ARG 12 HG1 ARG 12 -1.392 -1.262 1.819
78 HD2 ARG 12 HD2 ARG 12 -0.982 -2.412 3.978
79 HD3 ARG 12 HD1 ARG 12 -0.136 -0.869 3.807
80 HE ARG 12 HE ARG 12 -2.340 -0.115 5.109
81 HH11 ARG 12 HH11 ARG 12 -0.257 -2.872 5.659
82 HH12 ARG 12 HH12 ARG 12 -0.465 -2.837 7.382
83 HH21 ARG 12 HH21 ARG 12 -2.618 -0.073 7.372
84 HH22 ARG 12 HH22 ARG 12 -1.803 -1.250 8.357
85 H TYR 13 HN TYR 13 -2.277 3.510 1.648
86 HA TYR 13 HA TYR 13 -4.824 4.330 2.128
87 HB2 TYR 13 HB2 TYR 13 -2.805 5.728 2.316
88 HB3 TYR 13 HB1 TYR 13 -2.717 5.801 0.565
89 HD1 TYR 13 HD1 TYR 13 -4.983 6.575 3.352
90 HD2 TYR 13 HD2 TYR 13 -3.698 7.529 -0.555
91 HE1 TYR 13 HE1 TYR 13 -6.424 8.546 3.383
92 HE2 TYR 13 HE2 TYR 13 -5.142 9.527 -0.554
93 HH TYR 13 HH TYR 13 -7.155 10.342 0.592
94 H ASN 14 HN ASN 14 -3.301 3.768 -1.024
95 HA ASN 14 HA ASN 14 -5.952 4.201 -2.235
96 HB2 ASN 14 HB2 ASN 14 -4.844 4.846 -4.312
97 HB3 ASN 14 HB1 ASN 14 -4.342 5.896 -2.998
98 HD21 ASN 14 HD21 ASN 14 -3.374 3.667 -5.382
99 HD22 ASN 14 HD22 ASN 14 -1.677 3.710 -5.056
100 H ASN 15 HN ASN 15 -4.392 1.937 -1.000
101 HA ASN 15 HA ASN 15 -4.802 -0.036 -3.121
102 HB2 ASN 15 HB2 ASN 15 -2.332 0.644 -1.655
103 HB3 ASN 15 HB1 ASN 15 -2.607 -1.063 -2.004
104 HD21 ASN 15 HD21 ASN 15 -1.591 1.944 -3.200
105 HD22 ASN 15 HD22 ASN 15 -1.300 1.464 -4.835
106 HA HYP 16 HA HYP 16 -6.237 -1.340 1.116
107 HB2 HYP 16 HB1 HYP 16 -8.000 0.027 1.424
108 HB3 HYP 16 HB2 HYP 16 -8.951 -0.974 0.322
109 HG HYP 16 HG HYP 16 -8.977 0.986 -0.923
110 HD22 HYP 16 HD22 HYP 16 -7.733 -0.506 -2.308
111 HD23 HYP 16 HD23 HYP 16 -6.667 0.909 -2.243
112 HD1 HYP 16 HD1 HYP 16 -6.317 1.662 -0.249
113 H HIS 17 HN HIS 17 -6.809 -2.336 -1.981
114 HA HIS 17 HA HIS 17 -7.915 -4.927 -1.132
115 HB2 HIS 17 HB2 HIS 17 -9.134 -3.702 -2.936
116 HB3 HIS 17 HB1 HIS 17 -7.691 -3.793 -3.935
117 HD1 HIS 17 HD1 HIS 17 -10.278 -6.063 -2.349
118 HD2 HIS 17 HD2 HIS 17 -7.456 -6.093 -5.400
119 HE1 HIS 17 HE1 HIS 17 -10.673 -8.196 -3.614
120 HE2 HIS 17 HE2 HIS 17 -9.002 -8.161 -5.498
121 H VAL 18 HN VAL 18 -5.064 -3.411 -1.726
122 HA VAL 18 HA VAL 18 -3.650 -5.323 -3.227
123 HB VAL 18 HB VAL 18 -3.206 -2.777 -2.511
124 HG11 VAL 18 HG11 VAL 18 -1.298 -4.372 -0.830
125 HG12 VAL 18 HG12 VAL 18 -2.595 -3.341 -0.228
126 HG13 VAL 18 HG13 VAL 18 -1.239 -2.629 -1.105
127 HG21 VAL 18 HG21 VAL 18 -0.998 -3.019 -3.515
128 HG22 VAL 18 HG22 VAL 18 -2.253 -3.874 -4.409
129 HG23 VAL 18 HG23 VAL 18 -1.142 -4.770 -3.377
130 H CYS 19 HN CYS 19 -4.648 -5.233 -0.002
131 HA CYS 19 HA CYS 19 -2.991 -7.589 0.578
132 HB2 CYS 19 HB2 CYS 19 -3.846 -5.481 2.574
133 HB3 CYS 19 HB1 CYS 19 -2.947 -6.947 2.948
Start of MODEL 16
1 H1 ILE 1 HT1 ILE 1 3.782 4.102 -5.286
2 H2 ILE 1 HT2 ILE 1 2.845 3.932 -6.684
3 H3 ILE 1 HT3 ILE 1 4.513 3.684 -6.749
4 HA ILE 1 HA ILE 1 2.592 2.035 -5.227
5 HB ILE 1 HB ILE 1 3.177 0.248 -6.838
6 HG12 ILE 1 HG12 ILE 1 4.479 2.473 -8.426
7 HG13 ILE 1 HG11 ILE 1 5.349 1.203 -7.573
8 HG21 ILE 1 HG21 ILE 1 1.125 1.519 -7.127
9 HG22 ILE 1 HG22 ILE 1 1.805 1.077 -8.692
10 HG23 ILE 1 HG23 ILE 1 1.988 2.722 -8.086
11 HD11 ILE 1 HD11 ILE 1 4.314 -0.471 -9.016
12 HD12 ILE 1 HD12 ILE 1 5.209 0.732 -9.946
13 HD13 ILE 1 HD13 ILE 1 3.447 0.804 -9.870
14 H ARG 2 HN ARG 2 3.515 0.324 -4.075
15 HA ARG 2 HA ARG 2 6.427 0.340 -3.824
16 HB2 ARG 2 HB2 ARG 2 4.472 0.479 -1.517
17 HB3 ARG 2 HB1 ARG 2 6.197 0.193 -1.348
18 HG2 ARG 2 HG2 ARG 2 4.973 2.678 -2.531
19 HG3 ARG 2 HG1 ARG 2 5.549 2.519 -0.871
20 HD2 ARG 2 HD2 ARG 2 7.224 2.209 -3.362
21 HD3 ARG 2 HD1 ARG 2 7.209 3.614 -2.299
22 HE ARG 2 HE ARG 2 7.837 1.162 -0.945
23 HH11 ARG 2 HH11 ARG 2 9.147 3.823 -2.797
24 HH12 ARG 2 HH12 ARG 2 10.751 3.646 -2.159
25 HH21 ARG 2 HH21 ARG 2 9.944 0.912 -0.094
26 HH22 ARG 2 HH22 ARG 2 11.202 1.998 -0.609
27 H ASP 3 HN ASP 3 7.302 -1.605 -2.944
28 HA ASP 3 HA ASP 3 5.594 -3.910 -3.449
29 HB2 ASP 3 HB2 ASP 3 7.818 -3.765 -4.580
30 HB3 ASP 3 HB1 ASP 3 8.582 -3.823 -2.997
31 H GLU 4 HN GLU 4 6.154 -2.035 -1.100
32 HA GLU 4 HA GLU 4 6.082 -4.059 1.036
33 HB2 GLU 4 HB2 GLU 4 6.816 -1.135 1.106
34 HB3 GLU 4 HB1 GLU 4 6.678 -2.165 2.507
35 HG2 GLU 4 HG2 GLU 4 8.577 -3.416 1.916
36 HG3 GLU 4 HG1 GLU 4 8.573 -2.774 0.273
37 H CYS 5 HN CYS 5 4.006 -3.033 -0.779
38 HA CYS 5 HA CYS 5 2.547 -0.920 0.326
39 HB2 CYS 5 HB2 CYS 5 2.491 -1.887 -2.058
40 HB3 CYS 5 HB1 CYS 5 1.313 -3.027 -1.419
41 H CYS 6 HN CYS 6 2.491 -4.324 1.038
42 HA CYS 6 HA CYS 6 -0.103 -4.367 2.222
43 HB2 CYS 6 HB2 CYS 6 1.007 -6.428 1.454
44 HB3 CYS 6 HB1 CYS 6 2.249 -6.218 2.684
45 H SER 7 HN SER 7 3.150 -3.751 3.381
46 HA SER 7 HA SER 7 2.368 -3.502 6.136
47 HB2 SER 7 HB2 SER 7 4.897 -2.361 5.076
48 HB3 SER 7 HB1 SER 7 4.619 -3.304 6.538
49 HG SER 7 HG SER 7 4.386 -5.164 5.223
50 H ASN 8 HN ASN 8 2.744 -1.457 3.339
51 HA ASN 8 HA ASN 8 3.351 0.854 4.948
52 HB2 ASN 8 HB2 ASN 8 4.622 0.496 2.906
53 HB3 ASN 8 HB1 ASN 8 3.141 0.509 1.954
54 HD21 ASN 8 HD21 ASN 8 4.170 2.181 0.731
55 HD22 ASN 8 HD22 ASN 8 4.152 3.813 1.305
56 HA PRO 9 HA PRO 9 -1.049 1.760 5.281
57 HB2 PRO 9 HB2 PRO 9 -0.679 4.128 6.589
58 HB3 PRO 9 HB1 PRO 9 -0.540 2.560 7.352
59 HG2 PRO 9 HG2 PRO 9 1.651 4.246 6.279
60 HG3 PRO 9 HG1 PRO 9 1.498 3.482 7.879
61 HD2 PRO 9 HD2 PRO 9 2.912 2.307 6.021
62 HD3 PRO 9 HD1 PRO 9 1.829 1.334 7.018
63 H ALA 10 HN ALA 10 1.307 4.206 4.458
64 HA ALA 10 HA ALA 10 -0.392 5.965 3.089
65 HB1 ALA 10 HB1 ALA 10 1.843 6.567 3.903
66 HB2 ALA 10 HB2 ALA 10 1.619 6.978 2.203
67 HB3 ALA 10 HB3 ALA 10 2.560 5.555 2.649
68 H CYS 11 HN CYS 11 0.630 2.846 2.097
69 HA CYS 11 HA CYS 11 0.582 3.563 -0.755
70 HB2 CYS 11 HB2 CYS 11 2.433 2.053 0.035
71 HB3 CYS 11 HB1 CYS 11 1.209 0.899 0.572
72 H ARG 12 HN ARG 12 -0.520 1.389 1.655
73 HA ARG 12 HA ARG 12 -2.710 0.270 0.646
74 HB2 ARG 12 HB2 ARG 12 -1.712 1.072 3.266
75 HB3 ARG 12 HB1 ARG 12 -3.406 0.678 3.195
76 HG2 ARG 12 HG2 ARG 12 -3.016 -1.523 2.696
77 HG3 ARG 12 HG1 ARG 12 -1.464 -1.173 1.939
78 HD2 ARG 12 HD2 ARG 12 -1.130 -2.338 4.034
79 HD3 ARG 12 HD1 ARG 12 -0.507 -0.686 4.124
80 HE ARG 12 HE ARG 12 -3.085 -0.566 5.095
81 HH11 ARG 12 HH11 ARG 12 -0.190 -2.342 5.941
82 HH12 ARG 12 HH12 ARG 12 -0.573 -2.415 7.631
83 HH21 ARG 12 HH21 ARG 12 -3.615 -0.687 7.310
84 HH22 ARG 12 HH22 ARG 12 -2.530 -1.475 8.412
85 H TYR 13 HN TYR 13 -2.364 3.570 1.663
86 HA TYR 13 HA TYR 13 -4.912 4.447 2.043
87 HB2 TYR 13 HB2 TYR 13 -2.802 5.763 2.249
88 HB3 TYR 13 HB1 TYR 13 -2.781 5.898 0.500
89 HD1 TYR 13 HD1 TYR 13 -4.947 6.596 3.391
90 HD2 TYR 13 HD2 TYR 13 -3.753 7.697 -0.509
91 HE1 TYR 13 HE1 TYR 13 -6.356 8.584 3.541
92 HE2 TYR 13 HE2 TYR 13 -5.166 9.712 -0.381
93 HH TYR 13 HH TYR 13 -7.141 10.498 0.850
94 H ASN 14 HN ASN 14 -3.329 3.682 -1.020
95 HA ASN 14 HA ASN 14 -5.834 4.416 -2.415
96 HB2 ASN 14 HB2 ASN 14 -3.805 5.746 -3.075
97 HB3 ASN 14 HB1 ASN 14 -3.051 4.247 -3.605
98 HD21 ASN 14 HD21 ASN 14 -2.878 4.965 -5.718
99 HD22 ASN 14 HD22 ASN 14 -4.247 5.098 -6.766
100 H ASN 15 HN ASN 15 -4.394 1.971 -1.073
101 HA ASN 15 HA ASN 15 -4.907 0.014 -3.187
102 HB2 ASN 15 HB2 ASN 15 -2.378 0.615 -1.750
103 HB3 ASN 15 HB1 ASN 15 -2.651 -1.005 -2.392
104 HD21 ASN 15 HD21 ASN 15 -0.595 0.852 -3.110
105 HD22 ASN 15 HD22 ASN 15 -0.783 1.193 -4.795
106 HA HYP 16 HA HYP 16 -6.053 -1.326 1.128
107 HB2 HYP 16 HB1 HYP 16 -7.847 -0.025 1.526
108 HB3 HYP 16 HB2 HYP 16 -8.819 -1.069 0.485
109 HG HYP 16 HG HYP 16 -8.998 0.864 -0.777
110 HD22 HYP 16 HD22 HYP 16 -7.758 -0.553 -2.225
111 HD23 HYP 16 HD23 HYP 16 -6.741 0.898 -2.198
112 HD1 HYP 16 HD1 HYP 16 -6.363 1.719 -0.292
113 H HIS 17 HN HIS 17 -6.792 -2.375 -1.927
114 HA HIS 17 HA HIS 17 -7.606 -5.024 -0.932
115 HB2 HIS 17 HB2 HIS 17 -8.615 -5.477 -3.106
116 HB3 HIS 17 HB1 HIS 17 -9.296 -4.013 -2.414
117 HD1 HIS 17 HD1 HIS 17 -7.178 -5.234 -5.252
118 HD2 HIS 17 HD2 HIS 17 -8.802 -1.670 -3.861
119 HE1 HIS 17 HE1 HIS 17 -6.932 -3.596 -7.139
120 HE2 HIS 17 HE2 HIS 17 -7.720 -1.401 -6.192
121 H VAL 18 HN VAL 18 -4.921 -3.732 -1.298
122 HA VAL 18 HA VAL 18 -3.696 -5.258 -3.410
123 HB VAL 18 HB VAL 18 -2.960 -3.005 -1.680
124 HG11 VAL 18 HG11 VAL 18 -0.567 -3.270 -1.979
125 HG12 VAL 18 HG12 VAL 18 -0.819 -4.866 -2.682
126 HG13 VAL 18 HG13 VAL 18 -1.234 -4.568 -0.995
127 HG21 VAL 18 HG21 VAL 18 -2.247 -3.787 -4.491
128 HG22 VAL 18 HG22 VAL 18 -1.906 -2.230 -3.737
129 HG23 VAL 18 HG23 VAL 18 -3.574 -2.736 -4.001
130 H CYS 19 HN CYS 19 -4.106 -5.378 -0.018
131 HA CYS 19 HA CYS 19 -2.835 -7.997 0.047
132 HB2 CYS 19 HB2 CYS 19 -1.136 -6.290 0.764
133 HB3 CYS 19 HB1 CYS 19 -2.197 -5.873 2.103
Start of MODEL 17
1 H1 ILE 1 HT1 ILE 1 5.520 5.132 -5.311
2 H2 ILE 1 HT2 ILE 1 4.868 5.928 -3.973
3 H3 ILE 1 HT3 ILE 1 3.871 5.503 -5.270
4 HA ILE 1 HA ILE 1 3.542 4.023 -3.422
5 HB ILE 1 HB ILE 1 4.207 1.842 -4.605
6 HG12 ILE 1 HG12 ILE 1 4.628 2.281 -7.109
7 HG13 ILE 1 HG11 ILE 1 5.170 3.878 -6.608
8 HG21 ILE 1 HG21 ILE 1 1.989 2.802 -4.718
9 HG22 ILE 1 HG22 ILE 1 2.446 2.116 -6.277
10 HG23 ILE 1 HG23 ILE 1 2.493 3.861 -6.033
11 HD11 ILE 1 HD11 ILE 1 6.881 2.826 -5.193
12 HD12 ILE 1 HD12 ILE 1 7.051 2.401 -6.896
13 HD13 ILE 1 HD13 ILE 1 6.354 1.243 -5.764
14 H ARG 2 HN ARG 2 4.671 1.742 -2.793
15 HA ARG 2 HA ARG 2 7.443 2.182 -2.030
16 HB2 ARG 2 HB2 ARG 2 5.863 3.033 -0.214
17 HB3 ARG 2 HB1 ARG 2 5.339 1.368 -0.016
18 HG2 ARG 2 HG2 ARG 2 6.947 1.869 1.672
19 HG3 ARG 2 HG1 ARG 2 7.686 0.757 0.518
20 HD2 ARG 2 HD2 ARG 2 8.889 2.557 -0.526
21 HD3 ARG 2 HD1 ARG 2 8.043 3.748 0.460
22 HE ARG 2 HE ARG 2 9.495 1.797 2.002
23 HH11 ARG 2 HH11 ARG 2 9.736 4.824 0.253
24 HH12 ARG 2 HH12 ARG 2 11.068 5.412 1.196
25 HH21 ARG 2 HH21 ARG 2 11.256 2.577 3.249
26 HH22 ARG 2 HH22 ARG 2 11.932 4.134 2.897
27 H ASP 3 HN ASP 3 8.555 0.188 -1.676
28 HA ASP 3 HA ASP 3 7.210 -2.088 -2.846
29 HB2 ASP 3 HB2 ASP 3 9.598 -1.490 -3.398
30 HB3 ASP 3 HB1 ASP 3 10.029 -1.991 -1.767
31 H GLU 4 HN GLU 4 7.007 -0.805 -0.121
32 HA GLU 4 HA GLU 4 6.711 -3.267 1.450
33 HB2 GLU 4 HB2 GLU 4 6.995 -0.392 2.332
34 HB3 GLU 4 HB1 GLU 4 6.694 -1.751 3.387
35 HG2 GLU 4 HG2 GLU 4 8.833 -2.661 3.007
36 HG3 GLU 4 HG1 GLU 4 9.108 -1.601 1.624
37 H CYS 5 HN CYS 5 5.016 -2.262 -0.586
38 HA CYS 5 HA CYS 5 3.179 -0.324 0.069
39 HB2 CYS 5 HB2 CYS 5 3.659 -1.302 -2.203
40 HB3 CYS 5 HB1 CYS 5 2.608 -2.644 -1.766
41 H CYS 6 HN CYS 6 2.968 -3.790 0.740
42 HA CYS 6 HA CYS 6 0.155 -3.601 1.362
43 HB2 CYS 6 HB2 CYS 6 1.455 -5.645 0.382
44 HB3 CYS 6 HB1 CYS 6 1.841 -5.978 2.068
45 H SER 7 HN SER 7 3.161 -3.399 3.025
46 HA SER 7 HA SER 7 1.970 -3.530 5.656
47 HB2 SER 7 HB2 SER 7 4.692 -3.046 4.558
48 HB3 SER 7 HB1 SER 7 4.326 -2.455 6.179
49 HG SER 7 HG SER 7 4.038 -5.142 5.240
50 H ASN 8 HN ASN 8 2.965 -1.125 3.326
51 HA ASN 8 HA ASN 8 3.164 0.924 5.312
52 HB2 ASN 8 HB2 ASN 8 4.692 0.921 3.419
53 HB3 ASN 8 HB1 ASN 8 3.344 1.046 2.296
54 HD21 ASN 8 HD21 ASN 8 4.187 2.939 1.409
55 HD22 ASN 8 HD22 ASN 8 4.133 4.450 2.243
56 HA PRO 9 HA PRO 9 -1.237 1.915 5.266
57 HB2 PRO 9 HB2 PRO 9 -0.007 4.281 6.595
58 HB3 PRO 9 HB1 PRO 9 -1.423 3.351 7.088
59 HG2 PRO 9 HG2 PRO 9 0.836 3.040 8.333
60 HG3 PRO 9 HG1 PRO 9 -0.072 1.588 7.856
61 HD2 PRO 9 HD2 PRO 9 2.328 2.843 6.562
62 HD3 PRO 9 HD1 PRO 9 1.971 1.147 6.878
63 H ALA 10 HN ALA 10 1.367 4.054 4.271
64 HA ALA 10 HA ALA 10 -0.314 5.977 2.996
65 HB1 ALA 10 HB1 ALA 10 2.623 5.453 2.571
66 HB2 ALA 10 HB2 ALA 10 1.940 6.522 3.794
67 HB3 ALA 10 HB3 ALA 10 1.738 6.898 2.084
68 H CYS 11 HN CYS 11 0.725 2.838 2.074
69 HA CYS 11 HA CYS 11 0.563 3.461 -0.795
70 HB2 CYS 11 HB2 CYS 11 2.446 1.958 0.311
71 HB3 CYS 11 HB1 CYS 11 1.178 0.731 0.283
72 H ARG 12 HN ARG 12 -0.448 1.479 1.789
73 HA ARG 12 HA ARG 12 -2.663 0.290 0.838
74 HB2 ARG 12 HB2 ARG 12 -1.605 1.158 3.422
75 HB3 ARG 12 HB1 ARG 12 -3.297 0.740 3.386
76 HG2 ARG 12 HG2 ARG 12 -2.887 -1.455 3.049
77 HG3 ARG 12 HG1 ARG 12 -1.477 -1.138 2.048
78 HD2 ARG 12 HD2 ARG 12 -0.821 -2.227 4.099
79 HD3 ARG 12 HD1 ARG 12 -0.188 -0.579 4.042
80 HE ARG 12 HE ARG 12 -2.292 -0.105 5.482
81 HH11 ARG 12 HH11 ARG 12 -0.399 -3.050 5.591
82 HH12 ARG 12 HH12 ARG 12 -0.673 -3.315 7.284
83 HH21 ARG 12 HH21 ARG 12 -2.676 -0.462 7.708
84 HH22 ARG 12 HH22 ARG 12 -1.983 -1.849 8.487
85 H TYR 13 HN TYR 13 -2.237 3.639 1.544
86 HA TYR 13 HA TYR 13 -4.846 4.505 1.867
87 HB2 TYR 13 HB2 TYR 13 -3.078 6.039 2.224
88 HB3 TYR 13 HB1 TYR 13 -2.415 5.747 0.627
89 HD1 TYR 13 HD1 TYR 13 -5.338 7.239 2.336
90 HD2 TYR 13 HD2 TYR 13 -2.931 7.051 -1.128
91 HE1 TYR 13 HE1 TYR 13 -6.515 9.203 1.426
92 HE2 TYR 13 HE2 TYR 13 -4.082 8.997 -2.056
93 HH TYR 13 HH TYR 13 -6.241 10.154 -1.827
94 H ASN 14 HN ASN 14 -3.076 3.577 -1.030
95 HA ASN 14 HA ASN 14 -5.544 3.973 -2.601
96 HB2 ASN 14 HB2 ASN 14 -4.105 4.057 -4.610
97 HB3 ASN 14 HB1 ASN 14 -3.715 5.347 -3.480
98 HD21 ASN 14 HD21 ASN 14 -1.736 5.366 -2.480
99 HD22 ASN 14 HD22 ASN 14 -0.442 4.308 -2.919
100 H ASN 15 HN ASN 15 -4.417 1.818 -0.827
101 HA ASN 15 HA ASN 15 -4.732 -0.450 -2.615
102 HB2 ASN 15 HB2 ASN 15 -2.466 -0.307 -2.874
103 HB3 ASN 15 HB1 ASN 15 -2.265 0.495 -1.335
104 HD21 ASN 15 HD21 ASN 15 -0.586 -0.695 -0.650
105 HD22 ASN 15 HD22 ASN 15 -0.696 -2.383 -0.256
106 HA HYP 16 HA HYP 16 -6.482 -1.466 1.486
107 HB2 HYP 16 HB1 HYP 16 -8.261 -0.064 1.524
108 HB3 HYP 16 HB2 HYP 16 -9.087 -1.129 0.380
109 HG HYP 16 HG HYP 16 -8.982 0.762 -0.970
110 HD22 HYP 16 HD22 HYP 16 -7.591 -0.823 -2.099
111 HD23 HYP 16 HD23 HYP 16 -6.555 0.616 -2.038
112 HD1 HYP 16 HD1 HYP 16 -6.405 1.517 -0.078
113 H HIS 17 HN HIS 17 -6.586 -2.472 -1.626
114 HA HIS 17 HA HIS 17 -6.734 -5.236 -0.972
115 HB2 HIS 17 HB2 HIS 17 -9.170 -4.640 -1.050
116 HB3 HIS 17 HB1 HIS 17 -8.957 -4.175 -2.733
117 HD1 HIS 17 HD1 HIS 17 -9.794 -5.938 -4.233
118 HD2 HIS 17 HD2 HIS 17 -8.108 -7.536 -0.790
119 HE1 HIS 17 HE1 HIS 17 -9.988 -8.431 -4.483
120 HE2 HIS 17 HE2 HIS 17 -8.845 -9.378 -2.450
121 H VAL 18 HN VAL 18 -4.785 -3.653 -2.045
122 HA VAL 18 HA VAL 18 -4.802 -4.130 -4.923
123 HB VAL 18 HB VAL 18 -3.712 -2.073 -3.171
124 HG11 VAL 18 HG11 VAL 18 -1.966 -2.834 -5.491
125 HG12 VAL 18 HG12 VAL 18 -1.625 -3.284 -3.819
126 HG13 VAL 18 HG13 VAL 18 -1.696 -1.580 -4.271
127 HG21 VAL 18 HG21 VAL 18 -4.198 -2.097 -6.134
128 HG22 VAL 18 HG22 VAL 18 -3.970 -0.680 -5.112
129 HG23 VAL 18 HG23 VAL 18 -5.396 -1.695 -4.910
130 H CYS 19 HN CYS 19 -3.328 -5.034 -1.973
131 HA CYS 19 HA CYS 19 -1.402 -6.724 -3.398
132 HB2 CYS 19 HB2 CYS 19 -0.294 -6.970 -1.157
133 HB3 CYS 19 HB1 CYS 19 -0.274 -5.336 -1.803
Start of MODEL 18
1 H1 ILE 1 HT1 ILE 1 1.768 -10.898 8.548
2 H2 ILE 1 HT2 ILE 1 3.253 -10.859 9.353
3 H3 ILE 1 HT3 ILE 1 3.057 -11.838 7.993
4 HA ILE 1 HA ILE 1 2.908 -8.884 7.999
5 HB ILE 1 HB ILE 1 5.011 -8.936 6.740
6 HG12 ILE 1 HG12 ILE 1 5.101 -11.881 7.438
7 HG13 ILE 1 HG11 ILE 1 4.780 -11.236 5.832
8 HG21 ILE 1 HG21 ILE 1 6.503 -9.471 8.611
9 HG22 ILE 1 HG22 ILE 1 5.178 -10.304 9.422
10 HG23 ILE 1 HG23 ILE 1 5.083 -8.567 9.137
11 HD11 ILE 1 HD11 ILE 1 7.321 -10.879 7.401
12 HD12 ILE 1 HD12 ILE 1 7.004 -10.237 5.790
13 HD13 ILE 1 HD13 ILE 1 7.079 -11.979 6.045
14 H ARG 2 HN ARG 2 2.948 -8.016 5.778
15 HA ARG 2 HA ARG 2 1.734 -9.859 3.865
16 HB2 ARG 2 HB2 ARG 2 0.767 -7.100 4.602
17 HB3 ARG 2 HB1 ARG 2 0.292 -7.913 3.119
18 HG2 ARG 2 HG2 ARG 2 -0.233 -8.895 5.915
19 HG3 ARG 2 HG1 ARG 2 -1.411 -8.175 4.815
20 HD2 ARG 2 HD2 ARG 2 0.013 -10.812 4.551
21 HD3 ARG 2 HD1 ARG 2 -1.718 -10.522 4.691
22 HE ARG 2 HE ARG 2 -0.204 -9.604 2.337
23 HH11 ARG 2 HH11 ARG 2 -2.867 -11.425 3.716
24 HH12 ARG 2 HH12 ARG 2 -3.545 -11.815 2.169
25 HH21 ARG 2 HH21 ARG 2 -1.096 -10.094 0.333
26 HH22 ARG 2 HH22 ARG 2 -2.543 -11.065 0.241
27 H ASP 3 HN ASP 3 1.377 -8.332 1.752
28 HA ASP 3 HA ASP 3 3.744 -8.075 0.454
29 HB2 ASP 3 HB2 ASP 3 1.245 -6.476 -0.107
30 HB3 ASP 3 HB1 ASP 3 2.461 -7.010 -1.256
31 H GLU 4 HN GLU 4 4.756 -6.305 -0.332
32 HA GLU 4 HA GLU 4 5.799 -4.601 1.591
33 HB2 GLU 4 HB2 GLU 4 5.871 -3.990 -1.359
34 HB3 GLU 4 HB1 GLU 4 7.074 -3.600 -0.144
35 HG2 GLU 4 HG2 GLU 4 8.078 -5.351 -1.217
36 HG3 GLU 4 HG1 GLU 4 7.262 -6.187 0.102
37 H CYS 5 HN CYS 5 3.197 -4.092 -0.666
38 HA CYS 5 HA CYS 5 2.967 -1.272 -0.069
39 HB2 CYS 5 HB2 CYS 5 2.448 -2.044 -2.318
40 HB3 CYS 5 HB1 CYS 5 1.223 -3.140 -1.691
41 H CYS 6 HN CYS 6 1.825 -4.209 1.227
42 HA CYS 6 HA CYS 6 -0.557 -3.003 2.395
43 HB2 CYS 6 HB2 CYS 6 -0.545 -5.322 1.387
44 HB3 CYS 6 HB1 CYS 6 0.428 -5.827 2.761
45 H SER 7 HN SER 7 2.704 -3.798 3.238
46 HA SER 7 HA SER 7 2.409 -3.574 6.059
47 HB2 SER 7 HB2 SER 7 4.833 -2.604 4.630
48 HB3 SER 7 HB1 SER 7 4.718 -3.557 6.110
49 HG SER 7 HG SER 7 3.873 -5.284 4.673
50 H ASN 8 HN ASN 8 2.580 -1.417 3.386
51 HA ASN 8 HA ASN 8 3.380 0.803 5.062
52 HB2 ASN 8 HB2 ASN 8 4.664 0.489 3.037
53 HB3 ASN 8 HB1 ASN 8 3.193 0.503 2.068
54 HD21 ASN 8 HD21 ASN 8 4.068 2.200 0.830
55 HD22 ASN 8 HD22 ASN 8 4.096 3.825 1.425
56 HA PRO 9 HA PRO 9 -1.056 1.793 5.305
57 HB2 PRO 9 HB2 PRO 9 0.263 4.147 6.576
58 HB3 PRO 9 HB1 PRO 9 -1.135 3.226 7.140
59 HG2 PRO 9 HG2 PRO 9 1.180 2.895 8.275
60 HG3 PRO 9 HG1 PRO 9 0.248 1.447 7.828
61 HD2 PRO 9 HD2 PRO 9 2.566 2.725 6.410
62 HD3 PRO 9 HD1 PRO 9 2.261 1.024 6.760
63 H ALA 10 HN ALA 10 1.530 3.932 4.236
64 HA ALA 10 HA ALA 10 -0.190 5.871 3.047
65 HB1 ALA 10 HB1 ALA 10 2.745 5.374 2.560
66 HB2 ALA 10 HB2 ALA 10 2.075 6.416 3.815
67 HB3 ALA 10 HB3 ALA 10 1.843 6.822 2.114
68 H CYS 11 HN CYS 11 0.711 2.737 2.051
69 HA CYS 11 HA CYS 11 0.634 3.435 -0.806
70 HB2 CYS 11 HB2 CYS 11 2.437 1.857 0.059
71 HB3 CYS 11 HB1 CYS 11 1.147 0.727 0.478
72 H ARG 12 HN ARG 12 -0.547 1.410 1.687
73 HA ARG 12 HA ARG 12 -2.782 0.310 0.770
74 HB2 ARG 12 HB2 ARG 12 -1.744 1.276 3.318
75 HB3 ARG 12 HB1 ARG 12 -3.450 0.939 3.279
76 HG2 ARG 12 HG2 ARG 12 -3.145 -1.300 3.020
77 HG3 ARG 12 HG1 ARG 12 -1.619 -1.092 2.162
78 HD2 ARG 12 HD2 ARG 12 -1.345 -2.056 4.418
79 HD3 ARG 12 HD1 ARG 12 -0.486 -0.527 4.187
80 HE ARG 12 HE ARG 12 -2.727 0.352 5.287
81 HH11 ARG 12 HH11 ARG 12 -0.813 -2.451 6.172
82 HH12 ARG 12 HH12 ARG 12 -1.225 -2.351 7.856
83 HH21 ARG 12 HH21 ARG 12 -3.268 0.479 7.492
84 HH22 ARG 12 HH22 ARG 12 -2.628 -0.689 8.604
85 H TYR 13 HN TYR 13 -2.290 3.660 1.436
86 HA TYR 13 HA TYR 13 -4.774 4.634 2.039
87 HB2 TYR 13 HB2 TYR 13 -2.502 5.810 1.775
88 HB3 TYR 13 HB1 TYR 13 -2.939 5.997 0.089
89 HD1 TYR 13 HD1 TYR 13 -3.591 7.077 3.515
90 HD2 TYR 13 HD2 TYR 13 -4.725 7.451 -0.544
91 HE1 TYR 13 HE1 TYR 13 -4.859 9.107 4.063
92 HE2 TYR 13 HE2 TYR 13 -5.987 9.472 -0.018
93 HH TYR 13 HH TYR 13 -5.717 11.090 2.998
94 H ASN 14 HN ASN 14 -3.438 3.849 -1.138
95 HA ASN 14 HA ASN 14 -6.125 4.305 -2.295
96 HB2 ASN 14 HB2 ASN 14 -3.445 4.378 -3.710
97 HB3 ASN 14 HB1 ASN 14 -5.014 4.664 -4.456
98 HD21 ASN 14 HD21 ASN 14 -6.140 6.574 -3.954
99 HD22 ASN 14 HD22 ASN 14 -5.318 7.957 -3.320
100 H ASN 15 HN ASN 15 -4.421 2.015 -1.040
101 HA ASN 15 HA ASN 15 -4.950 -0.007 -3.098
102 HB2 ASN 15 HB2 ASN 15 -2.423 0.771 -1.770
103 HB3 ASN 15 HB1 ASN 15 -2.626 -0.913 -2.259
104 HD21 ASN 15 HD21 ASN 15 -0.731 1.080 -3.205
105 HD22 ASN 15 HD22 ASN 15 -0.988 1.231 -4.909
106 HA HYP 16 HA HYP 16 -6.031 -1.456 1.180
107 HB2 HYP 16 HB1 HYP 16 -7.832 -0.160 1.585
108 HB3 HYP 16 HB2 HYP 16 -8.797 -1.242 0.576
109 HG HYP 16 HG HYP 16 -9.053 0.650 -0.726
110 HD22 HYP 16 HD22 HYP 16 -7.743 -0.710 -2.167
111 HD23 HYP 16 HD23 HYP 16 -6.795 0.788 -2.141
112 HD1 HYP 16 HD1 HYP 16 -6.465 1.641 -0.252
113 H HIS 17 HN HIS 17 -6.628 -2.441 -1.901
114 HA HIS 17 HA HIS 17 -7.534 -5.118 -1.047
115 HB2 HIS 17 HB2 HIS 17 -9.073 -3.808 -2.580
116 HB3 HIS 17 HB1 HIS 17 -7.825 -3.920 -3.811
117 HD1 HIS 17 HD1 HIS 17 -10.304 -6.029 -1.930
118 HD2 HIS 17 HD2 HIS 17 -7.698 -6.350 -5.153
119 HE1 HIS 17 HE1 HIS 17 -10.865 -8.214 -3.041
120 HE2 HIS 17 HE2 HIS 17 -9.182 -8.453 -4.900
121 H VAL 18 HN VAL 18 -4.855 -3.503 -1.742
122 HA VAL 18 HA VAL 18 -3.614 -4.949 -3.797
123 HB VAL 18 HB VAL 18 -3.110 -2.633 -2.831
124 HG11 VAL 18 HG11 VAL 18 -1.381 -2.515 -1.160
125 HG12 VAL 18 HG12 VAL 18 -1.348 -4.278 -1.042
126 HG13 VAL 18 HG13 VAL 18 -2.779 -3.388 -0.531
127 HG21 VAL 18 HG21 VAL 18 -0.804 -2.748 -3.585
128 HG22 VAL 18 HG22 VAL 18 -1.896 -3.622 -4.655
129 HG23 VAL 18 HG23 VAL 18 -0.876 -4.507 -3.527
130 H CYS 19 HN CYS 19 -4.377 -5.881 -0.701
131 HA CYS 19 HA CYS 19 -2.530 -8.134 -0.890
132 HB2 CYS 19 HB2 CYS 19 -2.428 -8.060 1.674
133 HB3 CYS 19 HB1 CYS 19 -1.457 -6.898 0.781
Start of MODEL 19
1 H1 ILE 1 HT1 ILE 1 6.573 5.281 -4.461
2 H2 ILE 1 HT2 ILE 1 5.189 5.149 -5.423
3 H3 ILE 1 HT3 ILE 1 6.433 4.016 -5.572
4 HA ILE 1 HA ILE 1 4.760 4.427 -3.170
5 HB ILE 1 HB ILE 1 3.857 2.180 -3.660
6 HG12 ILE 1 HG12 ILE 1 5.233 2.481 -6.340
7 HG13 ILE 1 HG11 ILE 1 5.765 1.402 -5.056
8 HG21 ILE 1 HG21 ILE 1 2.585 4.136 -4.312
9 HG22 ILE 1 HG22 ILE 1 2.372 2.851 -5.500
10 HG23 ILE 1 HG23 ILE 1 3.441 4.207 -5.853
11 HD11 ILE 1 HD11 ILE 1 4.524 0.214 -6.776
12 HD12 ILE 1 HD12 ILE 1 3.125 1.251 -6.491
13 HD13 ILE 1 HD13 ILE 1 3.686 0.157 -5.226
14 H ARG 2 HN ARG 2 5.094 2.741 -1.566
15 HA ARG 2 HA ARG 2 7.885 2.119 -1.263
16 HB2 ARG 2 HB2 ARG 2 5.466 1.660 0.458
17 HB3 ARG 2 HB1 ARG 2 7.040 1.013 0.878
18 HG2 ARG 2 HG2 ARG 2 6.653 3.936 0.346
19 HG3 ARG 2 HG1 ARG 2 6.343 3.231 1.933
20 HD2 ARG 2 HD2 ARG 2 8.596 4.115 1.848
21 HD3 ARG 2 HD1 ARG 2 8.644 2.360 1.973
22 HE ARG 2 HE ARG 2 9.013 3.769 -0.592
23 HH11 ARG 2 HH11 ARG 2 10.035 1.354 1.758
24 HH12 ARG 2 HH12 ARG 2 11.342 0.781 0.768
25 HH21 ARG 2 HH21 ARG 2 10.721 2.988 -1.883
26 HH22 ARG 2 HH22 ARG 2 11.735 1.709 -1.289
27 H ASP 3 HN ASP 3 8.772 0.102 -1.057
28 HA ASP 3 HA ASP 3 7.493 -2.011 -2.539
29 HB2 ASP 3 HB2 ASP 3 9.910 -1.556 -2.847
30 HB3 ASP 3 HB1 ASP 3 10.183 -1.958 -1.157
31 H GLU 4 HN GLU 4 7.286 -0.876 0.329
32 HA GLU 4 HA GLU 4 6.799 -3.361 1.776
33 HB2 GLU 4 HB2 GLU 4 6.949 -0.503 2.705
34 HB3 GLU 4 HB1 GLU 4 6.739 -1.896 3.727
35 HG2 GLU 4 HG2 GLU 4 8.937 -2.654 3.328
36 HG3 GLU 4 HG1 GLU 4 9.143 -1.530 1.984
37 H CYS 5 HN CYS 5 5.199 -2.170 -0.375
38 HA CYS 5 HA CYS 5 3.214 -0.426 0.362
39 HB2 CYS 5 HB2 CYS 5 3.767 -1.083 -1.958
40 HB3 CYS 5 HB1 CYS 5 2.979 -2.633 -1.685
41 H CYS 6 HN CYS 6 3.233 -3.929 0.752
42 HA CYS 6 HA CYS 6 0.441 -4.176 1.221
43 HB2 CYS 6 HB2 CYS 6 2.048 -6.030 0.534
44 HB3 CYS 6 HB1 CYS 6 2.574 -6.069 2.212
45 H SER 7 HN SER 7 3.190 -3.447 3.205
46 HA SER 7 HA SER 7 1.610 -3.560 5.659
47 HB2 SER 7 HB2 SER 7 4.495 -3.336 4.989
48 HB3 SER 7 HB1 SER 7 3.943 -2.650 6.517
49 HG SER 7 HG SER 7 4.037 -4.636 7.228
50 H ASN 8 HN ASN 8 2.747 -1.302 3.317
51 HA ASN 8 HA ASN 8 3.207 0.758 5.254
52 HB2 ASN 8 HB2 ASN 8 4.671 0.583 3.313
53 HB3 ASN 8 HB1 ASN 8 3.301 0.824 2.233
54 HD21 ASN 8 HD21 ASN 8 5.437 2.332 4.529
55 HD22 ASN 8 HD22 ASN 8 5.069 3.963 4.089
56 HA PRO 9 HA PRO 9 -1.060 2.063 5.386
57 HB2 PRO 9 HB2 PRO 9 0.301 4.466 6.492
58 HB3 PRO 9 HB1 PRO 9 -1.071 3.569 7.149
59 HG2 PRO 9 HG2 PRO 9 1.287 3.315 8.218
60 HG3 PRO 9 HG1 PRO 9 0.336 1.848 7.896
61 HD2 PRO 9 HD2 PRO 9 2.602 3.021 6.318
62 HD3 PRO 9 HD1 PRO 9 2.306 1.350 6.793
63 H ALA 10 HN ALA 10 1.511 4.146 4.139
64 HA ALA 10 HA ALA 10 -0.303 6.011 2.935
65 HB1 ALA 10 HB1 ALA 10 2.655 5.648 2.477
66 HB2 ALA 10 HB2 ALA 10 1.919 6.701 3.687
67 HB3 ALA 10 HB3 ALA 10 1.684 7.031 1.970
68 H CYS 11 HN CYS 11 0.759 2.912 2.043
69 HA CYS 11 HA CYS 11 0.578 3.477 -0.835
70 HB2 CYS 11 HB2 CYS 11 2.425 1.946 0.230
71 HB3 CYS 11 HB1 CYS 11 1.116 0.766 0.381
72 H ARG 12 HN ARG 12 -0.460 1.596 1.801
73 HA ARG 12 HA ARG 12 -2.687 0.379 0.948
74 HB2 ARG 12 HB2 ARG 12 -1.631 1.418 3.463
75 HB3 ARG 12 HB1 ARG 12 -3.320 0.994 3.449
76 HG2 ARG 12 HG2 ARG 12 -2.919 -1.219 3.149
77 HG3 ARG 12 HG1 ARG 12 -1.390 -0.934 2.320
78 HD2 ARG 12 HD2 ARG 12 -0.226 -0.657 4.248
79 HD3 ARG 12 HD1 ARG 12 -1.650 -0.165 5.181
80 HE ARG 12 HE ARG 12 -1.688 -2.894 4.245
81 HH11 ARG 12 HH11 ARG 12 -0.870 -0.750 6.883
82 HH12 ARG 12 HH12 ARG 12 -0.856 -2.007 8.073
83 HH21 ARG 12 HH21 ARG 12 -1.681 -4.552 5.809
84 HH22 ARG 12 HH22 ARG 12 -1.318 -4.174 7.463
85 H TYR 13 HN TYR 13 -2.300 3.774 1.595
86 HA TYR 13 HA TYR 13 -4.879 4.657 1.864
87 HB2 TYR 13 HB2 TYR 13 -2.895 6.080 2.029
88 HB3 TYR 13 HB1 TYR 13 -2.630 5.904 0.303
89 HD1 TYR 13 HD1 TYR 13 -5.207 7.076 2.683
90 HD2 TYR 13 HD2 TYR 13 -3.414 7.442 -1.119
91 HE1 TYR 13 HE1 TYR 13 -6.599 9.060 2.231
92 HE2 TYR 13 HE2 TYR 13 -4.779 9.410 -1.597
93 HH TYR 13 HH TYR 13 -6.572 11.039 0.796
94 H ASN 14 HN ASN 14 -3.167 3.648 -1.047
95 HA ASN 14 HA ASN 14 -5.702 3.899 -2.548
96 HB2 ASN 14 HB2 ASN 14 -2.847 4.020 -3.542
97 HB3 ASN 14 HB1 ASN 14 -4.240 3.873 -4.603
98 HD21 ASN 14 HD21 ASN 14 -5.958 5.607 -3.094
99 HD22 ASN 14 HD22 ASN 14 -5.369 7.217 -3.324
100 H ASN 15 HN ASN 15 -4.449 1.847 -0.755
101 HA ASN 15 HA ASN 15 -4.677 -0.468 -2.511
102 HB2 ASN 15 HB2 ASN 15 -2.410 -0.297 -2.667
103 HB3 ASN 15 HB1 ASN 15 -2.300 0.565 -1.152
104 HD21 ASN 15 HD21 ASN 15 -0.617 -0.568 -0.350
105 HD22 ASN 15 HD22 ASN 15 -0.702 -2.239 0.101
106 HA HYP 16 HA HYP 16 -6.594 -1.586 1.460
107 HB2 HYP 16 HB1 HYP 16 -8.371 -0.176 1.447
108 HB3 HYP 16 HB2 HYP 16 -9.154 -1.241 0.273
109 HG HYP 16 HG HYP 16 -9.019 0.648 -1.075
110 HD22 HYP 16 HD22 HYP 16 -7.553 -0.910 -2.147
111 HD23 HYP 16 HD23 HYP 16 -6.551 0.553 -2.042
112 HD1 HYP 16 HD1 HYP 16 -6.498 1.441 -0.061
113 H HIS 17 HN HIS 17 -6.473 -2.519 -1.662
114 HA HIS 17 HA HIS 17 -6.880 -5.303 -1.082
115 HB2 HIS 17 HB2 HIS 17 -9.209 -4.451 -1.534
116 HB3 HIS 17 HB1 HIS 17 -8.682 -4.019 -3.155
117 HD1 HIS 17 HD1 HIS 17 -8.864 -5.796 -4.898
118 HD2 HIS 17 HD2 HIS 17 -9.101 -7.338 -1.043
119 HE1 HIS 17 HE1 HIS 17 -9.461 -8.223 -5.175
120 HE2 HIS 17 HE2 HIS 17 -9.498 -9.159 -2.839
121 H VAL 18 HN VAL 18 -4.735 -3.560 -1.995
122 HA VAL 18 HA VAL 18 -4.359 -4.253 -4.781
123 HB VAL 18 HB VAL 18 -2.957 -2.462 -2.850
124 HG11 VAL 18 HG11 VAL 18 -1.221 -3.643 -4.049
125 HG12 VAL 18 HG12 VAL 18 -1.283 -1.945 -4.505
126 HG13 VAL 18 HG13 VAL 18 -1.948 -3.173 -5.581
127 HG21 VAL 18 HG21 VAL 18 -4.982 -1.732 -4.154
128 HG22 VAL 18 HG22 VAL 18 -3.975 -1.830 -5.600
129 HG23 VAL 18 HG23 VAL 18 -3.549 -0.713 -4.295
130 H CYS 19 HN CYS 19 -3.223 -4.995 -1.621
131 HA CYS 19 HA CYS 19 -1.199 -6.844 -2.602
132 HB2 CYS 19 HB2 CYS 19 -0.586 -5.453 -0.685
133 HB3 CYS 19 HB1 CYS 19 -1.970 -6.057 0.219
Start of MODEL 20
1 H1 ILE 1 HT1 ILE 1 -0.509 -8.926 -3.899
2 H2 ILE 1 HT2 ILE 1 -1.340 -7.457 -3.917
3 H3 ILE 1 HT3 ILE 1 -1.883 -8.716 -2.934
4 HA ILE 1 HA ILE 1 -0.744 -6.995 -1.674
5 HB ILE 1 HB ILE 1 0.886 -8.433 -0.488
6 HG12 ILE 1 HG12 ILE 1 1.561 -9.650 -2.681
7 HG13 ILE 1 HG11 ILE 1 1.511 -10.572 -1.186
8 HG21 ILE 1 HG21 ILE 1 -1.416 -8.533 0.142
9 HG22 ILE 1 HG22 ILE 1 -0.746 -10.162 0.201
10 HG23 ILE 1 HG23 ILE 1 -1.769 -9.679 -1.149
11 HD11 ILE 1 HD11 ILE 1 -0.663 -10.534 -3.267
12 HD12 ILE 1 HD12 ILE 1 -0.620 -11.528 -1.812
13 HD13 ILE 1 HD13 ILE 1 0.565 -11.786 -3.092
14 H ARG 2 HN ARG 2 1.295 -6.021 -1.098
15 HA ARG 2 HA ARG 2 3.122 -5.830 -3.381
16 HB2 ARG 2 HB2 ARG 2 2.409 -3.715 -1.312
17 HB3 ARG 2 HB1 ARG 2 3.669 -3.539 -2.533
18 HG2 ARG 2 HG2 ARG 2 0.781 -4.053 -3.182
19 HG3 ARG 2 HG1 ARG 2 1.503 -2.446 -3.097
20 HD2 ARG 2 HD2 ARG 2 2.621 -4.600 -4.867
21 HD3 ARG 2 HD1 ARG 2 1.308 -3.555 -5.398
22 HE ARG 2 HE ARG 2 3.026 -1.716 -4.698
23 HH11 ARG 2 HH11 ARG 2 3.713 -4.736 -6.341
24 HH12 ARG 2 HH12 ARG 2 5.062 -4.094 -7.221
25 HH21 ARG 2 HH21 ARG 2 4.785 -0.864 -5.874
26 HH22 ARG 2 HH22 ARG 2 5.669 -1.890 -6.960
27 H ASP 3 HN ASP 3 5.304 -4.687 -2.362
28 HA ASP 3 HA ASP 3 6.513 -6.668 -0.682
29 HB2 ASP 3 HB2 ASP 3 7.598 -5.173 -2.506
30 HB3 ASP 3 HB1 ASP 3 7.667 -3.954 -1.242
31 H GLU 4 HN GLU 4 8.017 -4.414 0.699
32 HA GLU 4 HA GLU 4 6.596 -4.282 3.114
33 HB2 GLU 4 HB2 GLU 4 8.651 -2.333 2.069
34 HB3 GLU 4 HB1 GLU 4 8.130 -2.476 3.738
35 HG2 GLU 4 HG2 GLU 4 8.920 -4.879 3.626
36 HG3 GLU 4 HG1 GLU 4 9.702 -4.432 2.111
37 H CYS 5 HN CYS 5 6.134 -2.642 0.180
38 HA CYS 5 HA CYS 5 4.742 -0.349 1.016
39 HB2 CYS 5 HB2 CYS 5 5.462 -1.328 -1.385
40 HB3 CYS 5 HB1 CYS 5 3.777 -1.825 -1.384
41 H CYS 6 HN CYS 6 3.967 -3.697 1.159
42 HA CYS 6 HA CYS 6 1.111 -3.414 1.240
43 HB2 CYS 6 HB2 CYS 6 2.345 -5.509 0.551
44 HB3 CYS 6 HB1 CYS 6 2.776 -5.734 2.241
45 H SER 7 HN SER 7 3.735 -3.267 3.515
46 HA SER 7 HA SER 7 2.074 -3.324 5.855
47 HB2 SER 7 HB2 SER 7 4.719 -1.996 5.896
48 HB3 SER 7 HB1 SER 7 4.044 -3.193 7.000
49 HG SER 7 HG SER 7 5.837 -3.903 5.613
50 H ASN 8 HN ASN 8 3.292 -1.004 3.581
51 HA ASN 8 HA ASN 8 3.356 1.227 5.258
52 HB2 ASN 8 HB2 ASN 8 3.557 0.665 2.354
53 HB3 ASN 8 HB1 ASN 8 3.246 2.314 2.840
54 HD21 ASN 8 HD21 ASN 8 5.575 1.310 1.535
55 HD22 ASN 8 HD22 ASN 8 6.915 1.601 2.585
56 HA PRO 9 HA PRO 9 -1.111 1.906 5.496
57 HB2 PRO 9 HB2 PRO 9 0.041 4.426 6.599
58 HB3 PRO 9 HB1 PRO 9 -1.271 3.436 7.245
59 HG2 PRO 9 HG2 PRO 9 1.081 3.349 8.343
60 HG3 PRO 9 HG1 PRO 9 0.250 1.815 8.007
61 HD2 PRO 9 HD2 PRO 9 2.451 3.156 6.477
62 HD3 PRO 9 HD1 PRO 9 2.262 1.463 6.925
63 H ALA 10 HN ALA 10 1.276 4.164 4.219
64 HA ALA 10 HA ALA 10 -0.690 5.797 2.889
65 HB1 ALA 10 HB1 ALA 10 2.298 5.752 2.517
66 HB2 ALA 10 HB2 ALA 10 1.437 6.724 3.709
67 HB3 ALA 10 HB3 ALA 10 1.189 7.016 1.989
68 H CYS 11 HN CYS 11 0.621 2.776 2.180
69 HA CYS 11 HA CYS 11 0.765 3.249 -0.717
70 HB2 CYS 11 HB2 CYS 11 2.633 1.996 0.407
71 HB3 CYS 11 HB1 CYS 11 1.460 0.793 0.933
72 H ARG 12 HN ARG 12 -0.276 0.955 1.627
73 HA ARG 12 HA ARG 12 -2.503 -0.127 0.786
74 HB2 ARG 12 HB2 ARG 12 -1.645 1.028 3.354
75 HB3 ARG 12 HB1 ARG 12 -3.239 0.346 3.224
76 HG2 ARG 12 HG2 ARG 12 -2.447 -1.805 2.905
77 HG3 ARG 12 HG1 ARG 12 -0.877 -1.228 2.330
78 HD2 ARG 12 HD2 ARG 12 -0.685 -2.154 4.570
79 HD3 ARG 12 HD1 ARG 12 -0.356 -0.417 4.551
80 HE ARG 12 HE ARG 12 -3.096 -1.051 5.139
81 HH11 ARG 12 HH11 ARG 12 0.087 -0.710 6.591
82 HH12 ARG 12 HH12 ARG 12 -0.550 -0.358 8.166
83 HH21 ARG 12 HH21 ARG 12 -3.912 -0.605 7.190
84 HH22 ARG 12 HH22 ARG 12 -2.825 -0.294 8.508
85 H TYR 13 HN TYR 13 -2.162 3.203 1.794
86 HA TYR 13 HA TYR 13 -4.713 4.037 2.192
87 HB2 TYR 13 HB2 TYR 13 -2.631 5.342 2.535
88 HB3 TYR 13 HB1 TYR 13 -2.564 5.602 0.800
89 HD1 TYR 13 HD1 TYR 13 -4.988 6.006 3.571
90 HD2 TYR 13 HD2 TYR 13 -3.337 7.538 0.000
91 HE1 TYR 13 HE1 TYR 13 -6.391 8.016 3.795
92 HE2 TYR 13 HE2 TYR 13 -4.711 9.542 0.202
93 HH TYR 13 HH TYR 13 -6.307 10.413 3.014
94 H ASN 14 HN ASN 14 -3.143 3.462 -0.921
95 HA ASN 14 HA ASN 14 -5.660 4.330 -2.211
96 HB2 ASN 14 HB2 ASN 14 -2.845 4.381 -3.327
97 HB3 ASN 14 HB1 ASN 14 -4.293 4.678 -4.282
98 HD21 ASN 14 HD21 ASN 14 -2.086 5.947 -1.976
99 HD22 ASN 14 HD22 ASN 14 -2.728 7.552 -1.924
100 H ASN 15 HN ASN 15 -4.290 1.804 -1.063
101 HA ASN 15 HA ASN 15 -4.910 0.007 -3.284
102 HB2 ASN 15 HB2 ASN 15 -2.370 0.326 -1.764
103 HB3 ASN 15 HB1 ASN 15 -2.725 -1.190 -2.591
104 HD21 ASN 15 HD21 ASN 15 -1.650 2.040 -2.865
105 HD22 ASN 15 HD22 ASN 15 -1.357 2.045 -4.572
106 HA HYP 16 HA HYP 16 -6.117 -1.423 1.011
107 HB2 HYP 16 HB1 HYP 16 -7.753 0.024 1.543
108 HB3 HYP 16 HB2 HYP 16 -8.859 -0.859 0.489
109 HG HYP 16 HG HYP 16 -8.886 1.150 -0.662
110 HD22 HYP 16 HD22 HYP 16 -7.840 -0.295 -2.232
111 HD23 HYP 16 HD23 HYP 16 -6.678 1.040 -2.162
112 HD1 HYP 16 HD1 HYP 16 -6.161 1.693 -0.217
113 H HIS 17 HN HIS 17 -7.159 -2.218 -2.063
114 HA HIS 17 HA HIS 17 -8.248 -4.795 -1.148
115 HB2 HIS 17 HB2 HIS 17 -9.619 -3.333 -2.740
116 HB3 HIS 17 HB1 HIS 17 -8.416 -3.714 -3.966
117 HD1 HIS 17 HD1 HIS 17 -9.165 -5.559 -5.436
118 HD2 HIS 17 HD2 HIS 17 -10.605 -5.991 -1.559
119 HE1 HIS 17 HE1 HIS 17 -10.545 -7.659 -5.456
120 HE2 HIS 17 HE2 HIS 17 -11.303 -7.966 -3.073
121 H VAL 18 HN VAL 18 -5.436 -3.541 -1.732
122 HA VAL 18 HA VAL 18 -4.314 -5.485 -3.523
123 HB VAL 18 HB VAL 18 -3.264 -3.116 -2.035
124 HG11 VAL 18 HG11 VAL 18 -1.635 -5.045 -3.650
125 HG12 VAL 18 HG12 VAL 18 -1.553 -4.809 -1.909
126 HG13 VAL 18 HG13 VAL 18 -1.076 -3.510 -2.996
127 HG21 VAL 18 HG21 VAL 18 -4.503 -2.738 -4.123
128 HG22 VAL 18 HG22 VAL 18 -3.332 -3.742 -4.981
129 HG23 VAL 18 HG23 VAL 18 -2.820 -2.225 -4.231
130 H CYS 19 HN CYS 19 -4.352 -4.666 -0.153
131 HA CYS 19 HA CYS 19 -2.982 -7.191 0.462
132 HB2 CYS 19 HB2 CYS 19 -2.925 -4.589 2.004
133 HB3 CYS 19 HB1 CYS 19 -2.229 -6.101 2.576
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