Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640316 | 6oqp RC | 30607 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 2.001 -0.976 -1.689
3 HB2 SER 1 HB2 SER 1 1.962 2.011 -1.980
4 HB3 SER 1 HB3 SER 1 1.789 0.770 -3.221
5 HG SER 1 HG SER 1 -0.173 1.973 -2.469
6 H LYS 2 H LYS 2 4.098 -0.859 -2.526
7 HA LYS 2 HA LYS 2 6.122 -0.249 -0.610
8 HB2 LYS 2 HB2 LYS 2 5.949 -1.576 -3.205
9 HB3 LYS 2 HB3 LYS 2 7.428 -0.642 -3.020
10 HG2 LYS 2 HG2 LYS 2 8.052 -2.706 -2.220
11 HG3 LYS 2 HG3 LYS 2 7.610 -1.858 -0.736
12 HD2 LYS 2 HD2 LYS 2 5.651 -3.055 -0.480
13 HD3 LYS 2 HD3 LYS 2 5.544 -3.446 -2.198
14 HE2 LYS 2 HE2 LYS 2 6.297 -5.462 -1.558
15 HE3 LYS 2 HE3 LYS 2 7.872 -4.670 -1.517
16 HZ1 LYS 2 HZ1 LYS 2 6.329 -5.734 0.632
17 HZ2 LYS 2 HZ2 LYS 2 7.955 -5.266 0.606
18 HZ3 LYS 2 HZ3 LYS 2 6.751 -4.120 0.919
19 H TRP 3 H TRP 3 8.163 0.960 -1.473
20 HA TRP 3 HA TRP 3 7.435 3.680 -1.778
21 HB2 TRP 3 HB2 TRP 3 9.613 4.122 -1.318
22 HB3 TRP 3 HB3 TRP 3 9.650 2.419 -0.869
23 HD1 TRP 3 HD1 TRP 3 11.677 4.722 -2.685
24 HE1 TRP 3 HE1 TRP 3 13.106 3.570 -4.490
25 HE3 TRP 3 HE3 TRP 3 9.214 0.249 -2.937
26 HZ2 TRP 3 HZ2 TRP 3 13.178 1.093 -5.842
27 HZ3 TRP 3 HZ3 TRP 3 10.027 -1.458 -4.512
28 HH2 TRP 3 HH2 TRP 3 11.968 -1.042 -5.934
29 H ILE 4 H ILE 4 8.104 5.118 -3.516
30 HA ILE 4 HA ILE 4 8.060 3.779 -6.143
31 HB ILE 4 HB ILE 4 7.063 6.578 -5.772
32 HG12 ILE 4 HG12 ILE 4 4.738 5.306 -5.720
33 HG13 ILE 4 HG13 ILE 4 5.704 4.041 -4.969
34 HG21 ILE 4 HG21 ILE 4 6.838 4.411 -7.798
35 HG22 ILE 4 HG22 ILE 4 5.517 5.571 -7.652
36 HG23 ILE 4 HG23 ILE 4 7.148 6.134 -8.014
37 HD11 ILE 4 HD11 ILE 4 4.680 6.483 -3.848
38 HD12 ILE 4 HD12 ILE 4 5.379 5.078 -3.044
39 HD13 ILE 4 HD13 ILE 4 6.427 6.367 -3.636
40 H CYS 5 H CYS 5 10.047 5.340 -4.116
41 HA CYS 5 HA CYS 5 12.040 6.410 -4.338
42 HB2 CYS 5 HB2 CYS 5 12.565 4.700 -5.981
43 HB3 CYS 5 HB3 CYS 5 11.705 5.594 -7.231
44 H ALA 6 H ALA 6 11.857 8.516 -3.922
45 HA ALA 6 HA ALA 6 10.453 10.272 -5.771
46 HB1 ALA 6 HB1 ALA 6 10.025 11.551 -3.993
47 HB2 ALA 6 HB2 ALA 6 10.657 10.218 -3.026
48 HB3 ALA 6 HB3 ALA 6 11.714 11.554 -3.483
49 H ASN 7 H ASN 7 13.700 9.569 -4.687
50 HA ASN 7 HA ASN 7 14.935 10.694 -6.925
51 HB2 ASN 7 HB2 ASN 7 14.167 12.667 -5.086
52 HB3 ASN 7 HB3 ASN 7 15.897 12.451 -4.836
53 HD21 ASN 7 HD21 ASN 7 13.627 14.089 -6.559
54 HD22 ASN 7 HD22 ASN 7 14.588 14.577 -7.909
55 H ARG 8 H ARG 8 17.412 11.305 -6.160
56 HA ARG 8 HA ARG 8 18.612 8.893 -5.555
57 HB2 ARG 8 HB2 ARG 8 19.819 11.576 -4.885
58 HB3 ARG 8 HB3 ARG 8 20.664 10.094 -5.310
59 HG2 ARG 8 HG2 ARG 8 18.906 10.711 -7.439
60 HG3 ARG 8 HG3 ARG 8 19.773 12.187 -7.007
61 HD2 ARG 8 HD2 ARG 8 21.387 9.719 -7.160
62 HD3 ARG 8 HD3 ARG 8 20.743 10.322 -8.687
63 HE ARG 8 HE ARG 8 21.916 12.455 -7.296
64 HH11 ARG 8 HH11 ARG 8 22.815 9.514 -8.928
65 HH12 ARG 8 HH12 ARG 8 24.384 10.092 -9.382
66 HH21 ARG 8 HH21 ARG 8 23.979 13.227 -7.888
67 HH22 ARG 8 HH22 ARG 8 25.045 12.204 -8.790
68 H SER 9 H SER 9 17.404 11.363 -3.402
69 HA SER 9 HA SER 9 18.713 10.577 -1.045
70 HB2 SER 9 HB2 SER 9 17.278 12.687 -1.527
71 HB3 SER 9 HB3 SER 9 15.913 11.678 -1.049
72 HG SER 9 HG SER 9 18.222 11.995 0.558
73 H VAL 10 H VAL 10 15.854 9.359 -2.656
74 HA VAL 10 HA VAL 10 15.788 7.135 -0.740
75 HB VAL 10 HB VAL 10 13.243 7.156 -1.033
76 HG11 VAL 10 HG11 VAL 10 14.843 8.097 0.919
77 HG12 VAL 10 HG12 VAL 10 13.945 9.561 0.519
78 HG13 VAL 10 HG13 VAL 10 13.082 8.103 1.009
79 HG21 VAL 10 HG21 VAL 10 13.761 9.192 -2.780
80 HG22 VAL 10 HG22 VAL 10 12.196 8.866 -2.037
81 HG23 VAL 10 HG23 VAL 10 13.276 10.066 -1.328
82 H CYS 11 H CYS 11 16.929 6.001 -2.417
83 HA CYS 11 HA CYS 11 15.148 4.636 -4.208
84 HB2 CYS 11 HB2 CYS 11 16.220 6.898 -5.270
85 HB3 CYS 11 HB3 CYS 11 17.450 5.717 -5.706
86 HA PRO 12 HA PRO 12 18.717 2.189 -2.538
87 HB2 PRO 12 HB2 PRO 12 17.191 0.109 -1.692
88 HB3 PRO 12 HB3 PRO 12 17.497 1.542 -0.702
89 HG2 PRO 12 HG2 PRO 12 15.103 0.866 -2.368
90 HG3 PRO 12 HG3 PRO 12 15.172 1.563 -0.738
91 HD2 PRO 12 HD2 PRO 12 14.734 3.066 -2.948
92 HD3 PRO 12 HD3 PRO 12 15.601 3.686 -1.528
93 H ILE 13 H ILE 13 18.681 2.311 -5.118
94 HA ILE 13 HA ILE 13 18.107 -0.413 -6.089
95 HB ILE 13 HB ILE 13 17.996 0.586 -8.373
96 HG12 ILE 13 HG12 ILE 13 17.361 3.269 -7.475
97 HG13 ILE 13 HG13 ILE 13 19.021 2.842 -7.076
98 HG21 ILE 13 HG21 ILE 13 16.008 1.558 -6.327
99 HG22 ILE 13 HG22 ILE 13 15.738 1.573 -8.070
100 HG23 ILE 13 HG23 ILE 13 15.957 0.041 -7.225
101 HD11 ILE 13 HD11 ILE 13 18.812 1.982 -9.656
102 HD12 ILE 13 HD12 ILE 13 17.801 3.427 -9.654
103 HD13 ILE 13 HD13 ILE 13 19.485 3.529 -9.141
Start of MODEL 2
1 H1 SER 1 H SER 1 1.733 -0.710 0.548
2 HA SER 1 HA SER 1 2.069 -1.087 -1.949
3 HB2 SER 1 HB2 SER 1 1.628 0.623 -3.386
4 HB3 SER 1 HB3 SER 1 0.548 1.146 -2.094
5 HG SER 1 HG SER 1 1.762 2.901 -2.496
6 H LYS 2 H LYS 2 4.172 -0.899 -2.755
7 HA LYS 2 HA LYS 2 6.165 -0.338 -0.784
8 HB2 LYS 2 HB2 LYS 2 6.038 -1.605 -3.408
9 HB3 LYS 2 HB3 LYS 2 7.501 -0.652 -3.193
10 HG2 LYS 2 HG2 LYS 2 8.084 -2.789 -2.474
11 HG3 LYS 2 HG3 LYS 2 7.776 -1.897 -0.982
12 HD2 LYS 2 HD2 LYS 2 5.308 -2.884 -1.508
13 HD3 LYS 2 HD3 LYS 2 6.325 -4.165 -2.170
14 HE2 LYS 2 HE2 LYS 2 7.596 -4.016 0.062
15 HE3 LYS 2 HE3 LYS 2 6.185 -3.132 0.643
16 HZ1 LYS 2 HZ1 LYS 2 5.990 -5.805 -0.620
17 HZ2 LYS 2 HZ2 LYS 2 6.182 -5.595 1.048
18 HZ3 LYS 2 HZ3 LYS 2 4.807 -4.988 0.271
19 H TRP 3 H TRP 3 8.206 0.913 -1.595
20 HA TRP 3 HA TRP 3 7.455 3.633 -1.833
21 HB2 TRP 3 HB2 TRP 3 9.624 4.082 -1.339
22 HB3 TRP 3 HB3 TRP 3 9.673 2.368 -0.936
23 HD1 TRP 3 HD1 TRP 3 11.695 4.739 -2.669
24 HE1 TRP 3 HE1 TRP 3 13.152 3.650 -4.490
25 HE3 TRP 3 HE3 TRP 3 9.278 0.251 -3.066
26 HZ2 TRP 3 HZ2 TRP 3 13.262 1.211 -5.908
27 HZ3 TRP 3 HZ3 TRP 3 10.123 -1.404 -4.679
28 HH2 TRP 3 HH2 TRP 3 12.073 -0.932 -6.070
29 H ILE 4 H ILE 4 8.127 5.124 -3.525
30 HA ILE 4 HA ILE 4 8.121 3.856 -6.187
31 HB ILE 4 HB ILE 4 7.093 6.634 -5.751
32 HG12 ILE 4 HG12 ILE 4 4.781 5.340 -5.756
33 HG13 ILE 4 HG13 ILE 4 5.752 4.064 -5.030
34 HG21 ILE 4 HG21 ILE 4 6.287 6.459 -7.853
35 HG22 ILE 4 HG22 ILE 4 7.536 5.222 -7.995
36 HG23 ILE 4 HG23 ILE 4 5.867 4.756 -7.665
37 HD11 ILE 4 HD11 ILE 4 4.690 6.462 -3.852
38 HD12 ILE 4 HD12 ILE 4 5.402 5.046 -3.080
39 HD13 ILE 4 HD13 ILE 4 6.437 6.364 -3.630
40 H CYS 5 H CYS 5 10.073 5.380 -4.099
41 HA CYS 5 HA CYS 5 12.058 6.474 -4.272
42 HB2 CYS 5 HB2 CYS 5 12.616 4.815 -5.955
43 HB3 CYS 5 HB3 CYS 5 11.759 5.734 -7.189
44 H ALA 6 H ALA 6 11.850 8.566 -3.801
45 HA ALA 6 HA ALA 6 10.448 10.359 -5.615
46 HB1 ALA 6 HB1 ALA 6 11.673 11.592 -3.283
47 HB2 ALA 6 HB2 ALA 6 9.989 11.583 -3.807
48 HB3 ALA 6 HB3 ALA 6 10.628 10.232 -2.871
49 H ASN 7 H ASN 7 13.691 9.658 -4.518
50 HA ASN 7 HA ASN 7 14.936 10.853 -6.713
51 HB2 ASN 7 HB2 ASN 7 14.132 12.769 -4.829
52 HB3 ASN 7 HB3 ASN 7 15.861 12.563 -4.568
53 HD21 ASN 7 HD21 ASN 7 13.592 14.225 -6.269
54 HD22 ASN 7 HD22 ASN 7 14.562 14.758 -7.596
55 H ARG 8 H ARG 8 17.400 11.468 -5.907
56 HA ARG 8 HA ARG 8 18.618 9.051 -5.355
57 HB2 ARG 8 HB2 ARG 8 19.792 11.727 -4.601
58 HB3 ARG 8 HB3 ARG 8 20.655 10.264 -5.057
59 HG2 ARG 8 HG2 ARG 8 18.912 10.923 -7.186
60 HG3 ARG 8 HG3 ARG 8 19.761 12.394 -6.707
61 HD2 ARG 8 HD2 ARG 8 21.830 10.727 -6.692
62 HD3 ARG 8 HD3 ARG 8 20.819 9.868 -7.852
63 HE ARG 8 HE ARG 8 20.823 12.466 -8.711
64 HH11 ARG 8 HH11 ARG 8 23.255 10.066 -8.047
65 HH12 ARG 8 HH12 ARG 8 24.366 10.677 -9.227
66 HH21 ARG 8 HH21 ARG 8 22.277 13.280 -10.268
67 HH22 ARG 8 HH22 ARG 8 23.809 12.506 -10.489
68 H SER 9 H SER 9 17.364 11.450 -3.149
69 HA SER 9 HA SER 9 18.657 10.614 -0.800
70 HB2 SER 9 HB2 SER 9 17.207 12.722 -1.241
71 HB3 SER 9 HB3 SER 9 15.847 11.688 -0.802
72 HG SER 9 HG SER 9 18.054 12.469 0.777
73 H VAL 10 H VAL 10 15.827 9.413 -2.473
74 HA VAL 10 HA VAL 10 15.764 7.137 -0.618
75 HB VAL 10 HB VAL 10 13.221 7.142 -0.935
76 HG11 VAL 10 HG11 VAL 10 13.028 8.038 1.129
77 HG12 VAL 10 HG12 VAL 10 14.791 8.040 1.058
78 HG13 VAL 10 HG13 VAL 10 13.891 9.511 0.688
79 HG21 VAL 10 HG21 VAL 10 13.737 9.230 -2.622
80 HG22 VAL 10 HG22 VAL 10 12.168 8.868 -1.904
81 HG23 VAL 10 HG23 VAL 10 13.228 10.060 -1.151
82 H CYS 11 H CYS 11 16.932 6.060 -2.313
83 HA CYS 11 HA CYS 11 15.181 4.727 -4.158
84 HB2 CYS 11 HB2 CYS 11 16.241 7.027 -5.148
85 HB3 CYS 11 HB3 CYS 11 17.487 5.870 -5.604
86 HA PRO 12 HA PRO 12 18.757 2.270 -2.519
87 HB2 PRO 12 HB2 PRO 12 17.243 0.154 -1.744
88 HB3 PRO 12 HB3 PRO 12 17.525 1.561 -0.713
89 HG2 PRO 12 HG2 PRO 12 15.154 0.909 -2.420
90 HG3 PRO 12 HG3 PRO 12 15.201 1.562 -0.772
91 HD2 PRO 12 HD2 PRO 12 14.770 3.120 -2.945
92 HD3 PRO 12 HD3 PRO 12 15.617 3.709 -1.500
93 H ILE 13 H ILE 13 18.744 2.460 -5.095
94 HA ILE 13 HA ILE 13 18.044 -0.170 -6.213
95 HB ILE 13 HB ILE 13 17.049 1.757 -7.378
96 HG12 ILE 13 HG12 ILE 13 17.794 1.151 -9.654
97 HG13 ILE 13 HG13 ILE 13 19.189 0.324 -8.969
98 HG21 ILE 13 HG21 ILE 13 18.744 3.424 -6.916
99 HG22 ILE 13 HG22 ILE 13 19.912 2.546 -7.904
100 HG23 ILE 13 HG23 ILE 13 18.498 3.283 -8.657
101 HD11 ILE 13 HD11 ILE 13 16.684 -0.595 -7.833
102 HD12 ILE 13 HD12 ILE 13 16.765 -0.808 -9.581
103 HD13 ILE 13 HD13 ILE 13 18.011 -1.509 -8.549
Start of MODEL 3
1 H1 SER 1 H SER 1 1.939 -0.360 -3.251
2 HA SER 1 HA SER 1 1.395 1.231 -0.841
3 HB2 SER 1 HB2 SER 1 0.494 -1.047 -0.797
4 HB3 SER 1 HB3 SER 1 2.100 -1.702 -1.117
5 HG SER 1 HG SER 1 2.200 -1.751 0.989
6 H LYS 2 H LYS 2 3.948 -0.653 -2.432
7 HA LYS 2 HA LYS 2 5.992 0.000 -0.592
8 HB2 LYS 2 HB2 LYS 2 5.775 -1.356 -3.168
9 HB3 LYS 2 HB3 LYS 2 7.277 -0.456 -3.004
10 HG2 LYS 2 HG2 LYS 2 7.731 -2.632 -2.238
11 HG3 LYS 2 HG3 LYS 2 7.595 -1.629 -0.792
12 HD2 LYS 2 HD2 LYS 2 5.627 -2.598 -0.139
13 HD3 LYS 2 HD3 LYS 2 5.145 -2.987 -1.792
14 HE2 LYS 2 HE2 LYS 2 5.917 -5.054 -1.544
15 HE3 LYS 2 HE3 LYS 2 7.524 -4.425 -1.187
16 HZ1 LYS 2 HZ1 LYS 2 7.151 -4.510 1.070
17 HZ2 LYS 2 HZ2 LYS 2 5.467 -4.481 0.918
18 HZ3 LYS 2 HZ3 LYS 2 6.325 -5.889 0.544
19 H TRP 3 H TRP 3 8.061 1.145 -1.479
20 HA TRP 3 HA TRP 3 7.404 3.879 -1.814
21 HB2 TRP 3 HB2 TRP 3 9.595 4.268 -1.368
22 HB3 TRP 3 HB3 TRP 3 9.589 2.571 -0.898
23 HD1 TRP 3 HD1 TRP 3 11.668 4.797 -2.750
24 HE1 TRP 3 HE1 TRP 3 13.058 3.586 -4.547
25 HE3 TRP 3 HE3 TRP 3 9.087 0.388 -2.938
26 HZ2 TRP 3 HZ2 TRP 3 13.059 1.092 -5.869
27 HZ3 TRP 3 HZ3 TRP 3 9.847 -1.358 -4.496
28 HH2 TRP 3 HH2 TRP 3 11.792 -1.011 -5.931
29 H ILE 4 H ILE 4 8.104 5.278 -3.572
30 HA ILE 4 HA ILE 4 8.012 3.909 -6.182
31 HB ILE 4 HB ILE 4 7.091 6.737 -5.842
32 HG12 ILE 4 HG12 ILE 4 4.734 5.529 -5.764
33 HG13 ILE 4 HG13 ILE 4 5.670 4.247 -5.002
34 HG21 ILE 4 HG21 ILE 4 6.744 6.497 -8.020
35 HG22 ILE 4 HG22 ILE 4 7.198 4.794 -7.942
36 HG23 ILE 4 HG23 ILE 4 5.525 5.275 -7.659
37 HD11 ILE 4 HD11 ILE 4 4.716 6.729 -3.906
38 HD12 ILE 4 HD12 ILE 4 5.380 5.316 -3.088
39 HD13 ILE 4 HD13 ILE 4 6.460 6.569 -3.700
40 H CYS 5 H CYS 5 10.048 5.441 -4.182
41 HA CYS 5 HA CYS 5 12.069 6.455 -4.425
42 HB2 CYS 5 HB2 CYS 5 12.542 4.712 -6.049
43 HB3 CYS 5 HB3 CYS 5 11.700 5.614 -7.306
44 H ALA 6 H ALA 6 11.943 8.570 -4.034
45 HA ALA 6 HA ALA 6 10.578 10.340 -5.898
46 HB1 ALA 6 HB1 ALA 6 10.791 10.314 -3.155
47 HB2 ALA 6 HB2 ALA 6 11.883 11.614 -3.631
48 HB3 ALA 6 HB3 ALA 6 10.193 11.653 -4.135
49 H ASN 7 H ASN 7 13.810 9.565 -4.818
50 HA ASN 7 HA ASN 7 15.065 10.629 -7.075
51 HB2 ASN 7 HB2 ASN 7 14.357 12.644 -5.257
52 HB3 ASN 7 HB3 ASN 7 16.082 12.386 -5.013
53 HD21 ASN 7 HD21 ASN 7 13.849 14.063 -6.745
54 HD22 ASN 7 HD22 ASN 7 14.816 14.509 -8.105
55 H ARG 8 H ARG 8 17.560 11.185 -6.327
56 HA ARG 8 HA ARG 8 18.699 8.749 -5.698
57 HB2 ARG 8 HB2 ARG 8 19.979 11.408 -5.065
58 HB3 ARG 8 HB3 ARG 8 20.782 9.898 -5.476
59 HG2 ARG 8 HG2 ARG 8 19.033 10.536 -7.605
60 HG3 ARG 8 HG3 ARG 8 19.940 11.993 -7.195
61 HD2 ARG 8 HD2 ARG 8 21.109 9.280 -7.805
62 HD3 ARG 8 HD3 ARG 8 21.107 10.675 -8.883
63 HE ARG 8 HE ARG 8 22.852 10.213 -6.638
64 HH11 ARG 8 HH11 ARG 8 21.471 12.592 -8.772
65 HH12 ARG 8 HH12 ARG 8 22.737 13.746 -8.518
66 HH21 ARG 8 HH21 ARG 8 24.526 11.725 -6.295
67 HH22 ARG 8 HH22 ARG 8 24.475 13.252 -7.109
68 H SER 9 H SER 9 17.565 11.276 -3.571
69 HA SER 9 HA SER 9 18.863 10.485 -1.209
70 HB2 SER 9 HB2 SER 9 17.482 12.625 -1.712
71 HB3 SER 9 HB3 SER 9 16.093 11.659 -1.215
72 HG SER 9 HG SER 9 16.761 11.711 0.797
73 H VAL 10 H VAL 10 15.966 9.323 -2.794
74 HA VAL 10 HA VAL 10 15.850 7.124 -0.851
75 HB VAL 10 HB VAL 10 13.305 7.209 -1.134
76 HG11 VAL 10 HG11 VAL 10 14.082 9.613 0.386
77 HG12 VAL 10 HG12 VAL 10 13.175 8.189 0.896
78 HG13 VAL 10 HG13 VAL 10 14.935 8.126 0.802
79 HG21 VAL 10 HG21 VAL 10 13.870 9.210 -2.908
80 HG22 VAL 10 HG22 VAL 10 12.299 8.934 -2.154
81 HG23 VAL 10 HG23 VAL 10 13.413 10.114 -1.464
82 H CYS 11 H CYS 11 16.953 5.941 -2.518
83 HA CYS 11 HA CYS 11 15.129 4.602 -4.286
84 HB2 CYS 11 HB2 CYS 11 16.256 6.822 -5.379
85 HB3 CYS 11 HB3 CYS 11 17.453 5.603 -5.806
86 HA PRO 12 HA PRO 12 18.639 2.082 -2.600
87 HB2 PRO 12 HB2 PRO 12 17.062 0.053 -1.722
88 HB3 PRO 12 HB3 PRO 12 17.410 1.489 -0.751
89 HG2 PRO 12 HG2 PRO 12 14.992 0.857 -2.399
90 HG3 PRO 12 HG3 PRO 12 15.086 1.572 -0.779
91 HD2 PRO 12 HD2 PRO 12 14.679 3.058 -3.005
92 HD3 PRO 12 HD3 PRO 12 15.568 3.672 -1.596
93 H ILE 13 H ILE 13 18.595 2.173 -5.181
94 HA ILE 13 HA ILE 13 17.830 -0.496 -6.164
95 HB ILE 13 HB ILE 13 17.873 0.429 -8.418
96 HG12 ILE 13 HG12 ILE 13 17.884 3.216 -7.947
97 HG13 ILE 13 HG13 ILE 13 19.290 2.565 -7.113
98 HG21 ILE 13 HG21 ILE 13 15.918 0.755 -6.613
99 HG22 ILE 13 HG22 ILE 13 16.211 2.442 -7.038
100 HG23 ILE 13 HG23 ILE 13 15.781 1.279 -8.291
101 HD11 ILE 13 HD11 ILE 13 20.350 2.058 -9.026
102 HD12 ILE 13 HD12 ILE 13 18.865 1.589 -9.854
103 HD13 ILE 13 HD13 ILE 13 19.283 3.295 -9.691
Start of MODEL 4
1 H1 SER 1 H SER 1 1.149 -0.375 0.302
2 HA SER 1 HA SER 1 2.143 -0.861 -1.710
3 HB2 SER 1 HB2 SER 1 2.038 0.607 -3.526
4 HB3 SER 1 HB3 SER 1 0.648 1.096 -2.556
5 HG SER 1 HG SER 1 1.798 2.925 -3.137
6 H LYS 2 H LYS 2 4.277 -0.911 -2.444
7 HA LYS 2 HA LYS 2 6.245 -0.157 -0.585
8 HB2 LYS 2 HB2 LYS 2 6.145 -1.516 -3.165
9 HB3 LYS 2 HB3 LYS 2 7.608 -0.560 -2.966
10 HG2 LYS 2 HG2 LYS 2 8.285 -2.558 -2.095
11 HG3 LYS 2 HG3 LYS 2 7.702 -1.754 -0.636
12 HD2 LYS 2 HD2 LYS 2 6.234 -3.389 -0.305
13 HD3 LYS 2 HD3 LYS 2 5.506 -3.073 -1.882
14 HE2 LYS 2 HE2 LYS 2 6.968 -4.604 -2.957
15 HE3 LYS 2 HE3 LYS 2 7.983 -4.744 -1.522
16 HZ1 LYS 2 HZ1 LYS 2 6.641 -6.671 -1.622
17 HZ2 LYS 2 HZ2 LYS 2 5.995 -5.713 -0.386
18 HZ3 LYS 2 HZ3 LYS 2 5.230 -5.778 -1.893
19 H TRP 3 H TRP 3 8.299 1.060 -1.416
20 HA TRP 3 HA TRP 3 7.558 3.771 -1.760
21 HB2 TRP 3 HB2 TRP 3 9.722 4.233 -1.257
22 HB3 TRP 3 HB3 TRP 3 9.762 2.535 -0.793
23 HD1 TRP 3 HD1 TRP 3 11.810 4.837 -2.585
24 HE1 TRP 3 HE1 TRP 3 13.285 3.681 -4.349
25 HE3 TRP 3 HE3 TRP 3 9.386 0.344 -2.851
26 HZ2 TRP 3 HZ2 TRP 3 13.405 1.194 -5.678
27 HZ3 TRP 3 HZ3 TRP 3 10.245 -1.370 -4.394
28 HH2 TRP 3 HH2 TRP 3 12.213 -0.951 -5.778
29 H ILE 4 H ILE 4 8.253 5.199 -3.495
30 HA ILE 4 HA ILE 4 8.274 3.838 -6.111
31 HB ILE 4 HB ILE 4 7.249 6.632 -5.786
32 HG12 ILE 4 HG12 ILE 4 4.933 5.344 -5.772
33 HG13 ILE 4 HG13 ILE 4 5.892 4.092 -4.990
34 HG21 ILE 4 HG21 ILE 4 6.938 4.408 -7.769
35 HG22 ILE 4 HG22 ILE 4 5.789 5.745 -7.711
36 HG23 ILE 4 HG23 ILE 4 7.494 6.061 -8.029
37 HD11 ILE 4 HD11 ILE 4 6.569 6.434 -3.662
38 HD12 ILE 4 HD12 ILE 4 4.827 6.536 -3.912
39 HD13 ILE 4 HD13 ILE 4 5.518 5.143 -3.081
40 H CYS 5 H CYS 5 10.206 5.431 -4.056
41 HA CYS 5 HA CYS 5 12.196 6.514 -4.244
42 HB2 CYS 5 HB2 CYS 5 12.768 4.795 -5.861
43 HB3 CYS 5 HB3 CYS 5 11.929 5.671 -7.137
44 H ALA 6 H ALA 6 11.988 8.622 -3.850
45 HA ALA 6 HA ALA 6 10.611 10.352 -5.744
46 HB1 ALA 6 HB1 ALA 6 11.813 11.662 -3.441
47 HB2 ALA 6 HB2 ALA 6 10.136 11.643 -3.987
48 HB3 ALA 6 HB3 ALA 6 10.756 10.323 -2.995
49 H ASN 7 H ASN 7 13.839 9.683 -4.585
50 HA ASN 7 HA ASN 7 15.114 10.797 -6.806
51 HB2 ASN 7 HB2 ASN 7 14.292 12.780 -5.001
52 HB3 ASN 7 HB3 ASN 7 16.018 12.580 -4.713
53 HD21 ASN 7 HD21 ASN 7 13.773 14.185 -6.498
54 HD22 ASN 7 HD22 ASN 7 14.758 14.669 -7.832
55 H ARG 8 H ARG 8 17.569 11.435 -5.993
56 HA ARG 8 HA ARG 8 18.774 9.037 -5.342
57 HB2 ARG 8 HB2 ARG 8 19.946 11.735 -4.670
58 HB3 ARG 8 HB3 ARG 8 20.811 10.255 -5.063
59 HG2 ARG 8 HG2 ARG 8 19.095 10.841 -7.235
60 HG3 ARG 8 HG3 ARG 8 19.942 12.326 -6.798
61 HD2 ARG 8 HD2 ARG 8 21.534 11.467 -8.154
62 HD3 ARG 8 HD3 ARG 8 21.988 10.599 -6.688
63 HE ARG 8 HE ARG 8 21.361 8.656 -7.707
64 HH11 ARG 8 HH11 ARG 8 19.883 11.325 -9.384
65 HH12 ARG 8 HH12 ARG 8 19.233 10.338 -10.651
66 HH21 ARG 8 HH21 ARG 8 20.511 7.346 -9.369
67 HH22 ARG 8 HH22 ARG 8 19.591 8.075 -10.641
68 H SER 9 H SER 9 17.501 11.515 -3.237
69 HA SER 9 HA SER 9 18.765 10.761 -0.845
70 HB2 SER 9 HB2 SER 9 17.326 12.855 -1.376
71 HB3 SER 9 HB3 SER 9 15.958 11.840 -0.919
72 HG SER 9 HG SER 9 16.467 12.486 1.021
73 H VAL 10 H VAL 10 15.951 9.506 -2.507
74 HA VAL 10 HA VAL 10 15.861 7.298 -0.573
75 HB VAL 10 HB VAL 10 13.322 7.297 -0.921
76 HG11 VAL 10 HG11 VAL 10 14.868 8.260 1.059
77 HG12 VAL 10 HG12 VAL 10 13.981 9.721 0.625
78 HG13 VAL 10 HG13 VAL 10 13.106 8.268 1.107
79 HG21 VAL 10 HG21 VAL 10 13.339 10.206 -1.240
80 HG22 VAL 10 HG22 VAL 10 13.863 9.322 -2.674
81 HG23 VAL 10 HG23 VAL 10 12.284 8.991 -1.961
82 H CYS 11 H CYS 11 17.045 6.159 -2.215
83 HA CYS 11 HA CYS 11 15.313 4.765 -4.032
84 HB2 CYS 11 HB2 CYS 11 16.391 7.026 -5.090
85 HB3 CYS 11 HB3 CYS 11 17.639 5.850 -5.490
86 HA PRO 12 HA PRO 12 18.863 2.360 -2.264
87 HB2 PRO 12 HB2 PRO 12 17.335 0.276 -1.433
88 HB3 PRO 12 HB3 PRO 12 17.609 1.719 -0.449
89 HG2 PRO 12 HG2 PRO 12 15.256 1.011 -2.160
90 HG3 PRO 12 HG3 PRO 12 15.285 1.723 -0.536
91 HD2 PRO 12 HD2 PRO 12 14.884 3.203 -2.767
92 HD3 PRO 12 HD3 PRO 12 15.715 3.842 -1.334
93 H ILE 13 H ILE 13 18.882 2.459 -4.846
94 HA ILE 13 HA ILE 13 18.298 -0.259 -5.825
95 HB ILE 13 HB ILE 13 18.281 0.692 -8.100
96 HG12 ILE 13 HG12 ILE 13 17.887 3.456 -7.355
97 HG13 ILE 13 HG13 ILE 13 19.476 2.901 -6.838
98 HG21 ILE 13 HG21 ILE 13 16.141 2.017 -7.818
99 HG22 ILE 13 HG22 ILE 13 16.159 0.403 -7.109
100 HG23 ILE 13 HG23 ILE 13 16.362 1.820 -6.080
101 HD11 ILE 13 HD11 ILE 13 20.181 2.507 -8.995
102 HD12 ILE 13 HD12 ILE 13 18.537 2.361 -9.617
103 HD13 ILE 13 HD13 ILE 13 19.178 3.945 -9.183
Start of MODEL 5
1 H1 SER 1 H SER 1 1.870 -0.836 0.407
2 HA SER 1 HA SER 1 2.155 -0.631 -2.486
3 HB2 SER 1 HB2 SER 1 1.775 1.907 -0.918
4 HB3 SER 1 HB3 SER 1 1.656 1.654 -2.659
5 HG SER 1 HG SER 1 -0.273 1.514 -0.801
6 H LYS 2 H LYS 2 4.250 -0.727 -2.900
7 HA LYS 2 HA LYS 2 6.204 -0.215 -0.846
8 HB2 LYS 2 HB2 LYS 2 6.132 -1.531 -3.449
9 HB3 LYS 2 HB3 LYS 2 7.595 -0.583 -3.215
10 HG2 LYS 2 HG2 LYS 2 8.331 -2.497 -2.289
11 HG3 LYS 2 HG3 LYS 2 7.516 -1.857 -0.860
12 HD2 LYS 2 HD2 LYS 2 5.445 -3.102 -1.740
13 HD3 LYS 2 HD3 LYS 2 6.580 -3.970 -2.776
14 HE2 LYS 2 HE2 LYS 2 7.675 -4.943 -0.960
15 HE3 LYS 2 HE3 LYS 2 7.038 -3.758 0.179
16 HZ1 LYS 2 HZ1 LYS 2 4.807 -4.733 -0.234
17 HZ2 LYS 2 HZ2 LYS 2 5.545 -5.958 -1.138
18 HZ3 LYS 2 HZ3 LYS 2 5.891 -5.798 0.510
19 H TRP 3 H TRP 3 8.269 1.012 -1.633
20 HA TRP 3 HA TRP 3 7.536 3.729 -1.944
21 HB2 TRP 3 HB2 TRP 3 9.694 4.180 -1.408
22 HB3 TRP 3 HB3 TRP 3 9.726 2.474 -0.969
23 HD1 TRP 3 HD1 TRP 3 11.800 4.801 -2.701
24 HE1 TRP 3 HE1 TRP 3 13.295 3.669 -4.464
25 HE3 TRP 3 HE3 TRP 3 9.373 0.316 -3.065
26 HZ2 TRP 3 HZ2 TRP 3 13.427 1.202 -5.829
27 HZ3 TRP 3 HZ3 TRP 3 10.248 -1.375 -4.623
28 HH2 TRP 3 HH2 TRP 3 12.233 -0.939 -5.976
29 H ILE 4 H ILE 4 8.254 5.182 -3.649
30 HA ILE 4 HA ILE 4 8.306 3.862 -6.284
31 HB ILE 4 HB ILE 4 7.281 6.652 -5.929
32 HG12 ILE 4 HG12 ILE 4 4.964 5.367 -5.964
33 HG13 ILE 4 HG13 ILE 4 5.911 4.102 -5.189
34 HG21 ILE 4 HG21 ILE 4 7.170 4.510 -7.982
35 HG22 ILE 4 HG22 ILE 4 5.800 5.615 -7.863
36 HG23 ILE 4 HG23 ILE 4 7.418 6.246 -8.168
37 HD11 ILE 4 HD11 ILE 4 6.576 6.421 -3.816
38 HD12 ILE 4 HD12 ILE 4 4.836 6.532 -4.087
39 HD13 ILE 4 HD13 ILE 4 5.513 5.124 -3.269
40 H CYS 5 H CYS 5 10.214 5.419 -4.181
41 HA CYS 5 HA CYS 5 12.209 6.502 -4.329
42 HB2 CYS 5 HB2 CYS 5 12.798 4.806 -5.965
43 HB3 CYS 5 HB3 CYS 5 11.976 5.704 -7.237
44 H ALA 6 H ALA 6 11.999 8.604 -3.905
45 HA ALA 6 HA ALA 6 10.648 10.365 -5.789
46 HB1 ALA 6 HB1 ALA 6 10.759 10.293 -3.040
47 HB2 ALA 6 HB2 ALA 6 11.823 11.638 -3.452
48 HB3 ALA 6 HB3 ALA 6 10.153 11.629 -4.019
49 H ASN 7 H ASN 7 13.861 9.673 -4.601
50 HA ASN 7 HA ASN 7 15.164 10.819 -6.788
51 HB2 ASN 7 HB2 ASN 7 14.323 12.775 -4.963
52 HB3 ASN 7 HB3 ASN 7 16.045 12.567 -4.657
53 HD21 ASN 7 HD21 ASN 7 13.825 14.204 -6.444
54 HD22 ASN 7 HD22 ASN 7 14.828 14.707 -7.758
55 H ARG 8 H ARG 8 17.611 11.439 -5.936
56 HA ARG 8 HA ARG 8 18.803 9.029 -5.307
57 HB2 ARG 8 HB2 ARG 8 19.972 11.714 -4.579
58 HB3 ARG 8 HB3 ARG 8 20.838 10.239 -4.985
59 HG2 ARG 8 HG2 ARG 8 19.151 10.861 -7.168
60 HG3 ARG 8 HG3 ARG 8 19.993 12.339 -6.697
61 HD2 ARG 8 HD2 ARG 8 21.581 11.484 -8.072
62 HD3 ARG 8 HD3 ARG 8 22.048 10.644 -6.594
63 HE ARG 8 HE ARG 8 21.435 8.675 -7.574
64 HH11 ARG 8 HH11 ARG 8 19.983 11.306 -9.332
65 HH12 ARG 8 HH12 ARG 8 19.366 10.294 -10.595
66 HH21 ARG 8 HH21 ARG 8 20.628 7.331 -9.232
67 HH22 ARG 8 HH22 ARG 8 19.733 8.033 -10.537
68 H SER 9 H SER 9 17.509 11.477 -3.180
69 HA SER 9 HA SER 9 18.742 10.684 -0.785
70 HB2 SER 9 HB2 SER 9 17.312 12.788 -1.302
71 HB3 SER 9 HB3 SER 9 15.938 11.769 -0.876
72 HG SER 9 HG SER 9 16.523 12.665 1.014
73 H VAL 10 H VAL 10 15.946 9.460 -2.500
74 HA VAL 10 HA VAL 10 15.829 7.223 -0.601
75 HB VAL 10 HB VAL 10 13.294 7.232 -0.980
76 HG11 VAL 10 HG11 VAL 10 13.058 8.165 1.061
77 HG12 VAL 10 HG12 VAL 10 14.822 8.167 1.031
78 HG13 VAL 10 HG13 VAL 10 13.931 9.630 0.611
79 HG21 VAL 10 HG21 VAL 10 13.860 9.282 -2.696
80 HG22 VAL 10 HG22 VAL 10 12.272 8.943 -2.008
81 HG23 VAL 10 HG23 VAL 10 13.321 10.145 -1.255
82 H CYS 11 H CYS 11 17.032 6.107 -2.246
83 HA CYS 11 HA CYS 11 15.320 4.744 -4.105
84 HB2 CYS 11 HB2 CYS 11 16.415 7.019 -5.115
85 HB3 CYS 11 HB3 CYS 11 17.665 5.847 -5.518
86 HA PRO 12 HA PRO 12 18.845 2.306 -2.331
87 HB2 PRO 12 HB2 PRO 12 17.303 0.212 -1.550
88 HB3 PRO 12 HB3 PRO 12 17.567 1.639 -0.542
89 HG2 PRO 12 HG2 PRO 12 15.235 0.962 -2.292
90 HG3 PRO 12 HG3 PRO 12 15.244 1.648 -0.656
91 HD2 PRO 12 HD2 PRO 12 14.873 3.163 -2.870
92 HD3 PRO 12 HD3 PRO 12 15.687 3.778 -1.417
93 H ILE 13 H ILE 13 18.895 2.444 -4.910
94 HA ILE 13 HA ILE 13 18.178 -0.186 -6.010
95 HB ILE 13 HB ILE 13 18.621 0.863 -8.234
96 HG12 ILE 13 HG12 ILE 13 18.461 3.543 -6.911
97 HG13 ILE 13 HG13 ILE 13 20.021 2.735 -7.016
98 HG21 ILE 13 HG21 ILE 13 16.585 2.670 -7.253
99 HG22 ILE 13 HG22 ILE 13 16.438 1.287 -8.337
100 HG23 ILE 13 HG23 ILE 13 16.395 1.047 -6.590
101 HD11 ILE 13 HD11 ILE 13 18.263 3.252 -9.395
102 HD12 ILE 13 HD12 ILE 13 19.527 4.355 -8.850
103 HD13 ILE 13 HD13 ILE 13 19.946 2.728 -9.386
Start of MODEL 6
1 H1 SER 1 H SER 1 1.185 1.315 -3.029
2 HA SER 1 HA SER 1 1.430 1.025 -0.782
3 HB2 SER 1 HB2 SER 1 2.183 -1.782 -1.619
4 HB3 SER 1 HB3 SER 1 2.024 -1.270 0.062
5 HG SER 1 HG SER 1 0.061 -2.066 -0.464
6 H LYS 2 H LYS 2 4.071 -0.658 -2.484
7 HA LYS 2 HA LYS 2 6.048 0.014 -0.565
8 HB2 LYS 2 HB2 LYS 2 5.932 -1.352 -3.142
9 HB3 LYS 2 HB3 LYS 2 7.412 -0.423 -2.936
10 HG2 LYS 2 HG2 LYS 2 8.145 -2.301 -1.955
11 HG3 LYS 2 HG3 LYS 2 7.291 -1.664 -0.547
12 HD2 LYS 2 HD2 LYS 2 5.999 -3.473 -0.537
13 HD3 LYS 2 HD3 LYS 2 5.394 -3.035 -2.136
14 HE2 LYS 2 HE2 LYS 2 6.976 -4.370 -3.225
15 HE3 LYS 2 HE3 LYS 2 8.004 -4.474 -1.796
16 HZ1 LYS 2 HZ1 LYS 2 5.366 -5.780 -2.182
17 HZ2 LYS 2 HZ2 LYS 2 6.874 -6.544 -2.099
18 HZ3 LYS 2 HZ3 LYS 2 6.230 -5.790 -0.728
19 H TRP 3 H TRP 3 8.121 1.195 -1.394
20 HA TRP 3 HA TRP 3 7.423 3.915 -1.755
21 HB2 TRP 3 HB2 TRP 3 9.592 4.347 -1.246
22 HB3 TRP 3 HB3 TRP 3 9.604 2.650 -0.773
23 HD1 TRP 3 HD1 TRP 3 11.695 4.911 -2.569
24 HE1 TRP 3 HE1 TRP 3 13.159 3.723 -4.321
25 HE3 TRP 3 HE3 TRP 3 9.203 0.454 -2.821
26 HZ2 TRP 3 HZ2 TRP 3 13.245 1.227 -5.636
27 HZ3 TRP 3 HZ3 TRP 3 10.041 -1.281 -4.351
28 HH2 TRP 3 HH2 TRP 3 12.020 -0.900 -5.729
29 H ILE 4 H ILE 4 8.147 5.323 -3.495
30 HA ILE 4 HA ILE 4 8.158 3.948 -6.103
31 HB ILE 4 HB ILE 4 7.174 6.759 -5.798
32 HG12 ILE 4 HG12 ILE 4 4.839 5.507 -5.786
33 HG13 ILE 4 HG13 ILE 4 5.776 4.244 -4.994
34 HG21 ILE 4 HG21 ILE 4 5.655 5.650 -7.691
35 HG22 ILE 4 HG22 ILE 4 7.244 6.339 -8.025
36 HG23 ILE 4 HG23 ILE 4 7.064 4.597 -7.814
37 HD11 ILE 4 HD11 ILE 4 6.483 6.584 -3.676
38 HD12 ILE 4 HD12 ILE 4 4.743 6.710 -3.932
39 HD13 ILE 4 HD13 ILE 4 5.411 5.311 -3.091
40 H CYS 5 H CYS 5 10.106 5.521 -4.049
41 HA CYS 5 HA CYS 5 12.113 6.573 -4.236
42 HB2 CYS 5 HB2 CYS 5 12.666 4.836 -5.841
43 HB3 CYS 5 HB3 CYS 5 11.844 5.718 -7.124
44 H ALA 6 H ALA 6 11.936 8.686 -3.854
45 HA ALA 6 HA ALA 6 10.593 10.426 -5.762
46 HB1 ALA 6 HB1 ALA 6 10.727 10.410 -3.013
47 HB2 ALA 6 HB2 ALA 6 11.807 11.730 -3.461
48 HB3 ALA 6 HB3 ALA 6 10.132 11.735 -4.014
49 H ASN 7 H ASN 7 13.807 9.714 -4.587
50 HA ASN 7 HA ASN 7 15.106 10.797 -6.808
51 HB2 ASN 7 HB2 ASN 7 14.309 12.802 -5.017
52 HB3 ASN 7 HB3 ASN 7 16.030 12.577 -4.721
53 HD21 ASN 7 HD21 ASN 7 13.818 14.208 -6.523
54 HD22 ASN 7 HD22 ASN 7 14.816 14.669 -7.855
55 H ARG 8 H ARG 8 17.569 11.400 -5.990
56 HA ARG 8 HA ARG 8 18.733 8.988 -5.321
57 HB2 ARG 8 HB2 ARG 8 19.945 11.671 -4.658
58 HB3 ARG 8 HB3 ARG 8 20.788 10.176 -5.041
59 HG2 ARG 8 HG2 ARG 8 19.090 10.777 -7.222
60 HG3 ARG 8 HG3 ARG 8 19.957 12.251 -6.789
61 HD2 ARG 8 HD2 ARG 8 22.050 10.766 -6.743
62 HD3 ARG 8 HD3 ARG 8 21.067 9.587 -7.610
63 HE ARG 8 HE ARG 8 20.761 11.866 -9.053
64 HH11 ARG 8 HH11 ARG 8 23.518 10.060 -7.930
65 HH12 ARG 8 HH12 ARG 8 24.524 10.516 -9.264
66 HH21 ARG 8 HH21 ARG 8 22.077 12.473 -10.815
67 HH22 ARG 8 HH22 ARG 8 23.704 11.889 -10.904
68 H SER 9 H SER 9 17.491 11.497 -3.234
69 HA SER 9 HA SER 9 18.734 10.735 -0.834
70 HB2 SER 9 HB2 SER 9 17.329 12.848 -1.382
71 HB3 SER 9 HB3 SER 9 15.944 11.857 -0.923
72 HG SER 9 HG SER 9 16.920 13.123 0.807
73 H VAL 10 H VAL 10 15.907 9.516 -2.500
74 HA VAL 10 HA VAL 10 15.775 7.319 -0.555
75 HB VAL 10 HB VAL 10 13.238 7.356 -0.913
76 HG11 VAL 10 HG11 VAL 10 14.792 8.304 1.068
77 HG12 VAL 10 HG12 VAL 10 13.929 9.777 0.624
78 HG13 VAL 10 HG13 VAL 10 13.029 8.340 1.109
79 HG21 VAL 10 HG21 VAL 10 12.231 9.060 -1.966
80 HG22 VAL 10 HG22 VAL 10 13.302 10.262 -1.247
81 HG23 VAL 10 HG23 VAL 10 13.817 9.363 -2.674
82 H CYS 11 H CYS 11 16.949 6.154 -2.186
83 HA CYS 11 HA CYS 11 15.202 4.777 -4.003
84 HB2 CYS 11 HB2 CYS 11 16.319 7.016 -5.069
85 HB3 CYS 11 HB3 CYS 11 17.550 5.819 -5.458
86 HA PRO 12 HA PRO 12 18.708 2.327 -2.209
87 HB2 PRO 12 HB2 PRO 12 17.144 0.271 -1.373
88 HB3 PRO 12 HB3 PRO 12 17.437 1.715 -0.396
89 HG2 PRO 12 HG2 PRO 12 15.080 1.034 -2.112
90 HG3 PRO 12 HG3 PRO 12 15.114 1.754 -0.491
91 HD2 PRO 12 HD2 PRO 12 14.744 3.228 -2.732
92 HD3 PRO 12 HD3 PRO 12 15.580 3.861 -1.299
93 H ILE 13 H ILE 13 18.737 2.412 -4.791
94 HA ILE 13 HA ILE 13 18.201 -0.333 -5.724
95 HB ILE 13 HB ILE 13 16.784 1.322 -6.876
96 HG12 ILE 13 HG12 ILE 13 18.571 0.666 -9.090
97 HG13 ILE 13 HG13 ILE 13 18.316 -0.695 -8.003
98 HG21 ILE 13 HG21 ILE 13 17.548 3.195 -7.909
99 HG22 ILE 13 HG22 ILE 13 18.797 3.050 -6.672
100 HG23 ILE 13 HG23 ILE 13 19.106 2.473 -8.310
101 HD11 ILE 13 HD11 ILE 13 15.792 0.043 -8.270
102 HD12 ILE 13 HD12 ILE 13 16.409 0.695 -9.788
103 HD13 ILE 13 HD13 ILE 13 16.587 -1.022 -9.429
Start of MODEL 7
1 H1 SER 1 H SER 1 2.161 1.062 -3.231
2 HA SER 1 HA SER 1 1.424 1.085 -0.740
3 HB2 SER 1 HB2 SER 1 1.753 -1.794 -1.470
4 HB3 SER 1 HB3 SER 1 2.217 -1.280 0.151
5 HG SER 1 HG SER 1 0.112 -0.463 0.423
6 H LYS 2 H LYS 2 3.965 -0.716 -2.454
7 HA LYS 2 HA LYS 2 6.024 -0.098 -0.611
8 HB2 LYS 2 HB2 LYS 2 5.788 -1.423 -3.203
9 HB3 LYS 2 HB3 LYS 2 7.294 -0.532 -3.031
10 HG2 LYS 2 HG2 LYS 2 7.830 -2.645 -2.256
11 HG3 LYS 2 HG3 LYS 2 7.509 -1.744 -0.773
12 HD2 LYS 2 HD2 LYS 2 5.173 -2.641 -0.834
13 HD3 LYS 2 HD3 LYS 2 5.664 -3.668 -2.184
14 HE2 LYS 2 HE2 LYS 2 6.594 -5.147 -0.806
15 HE3 LYS 2 HE3 LYS 2 7.528 -3.889 0.003
16 HZ1 LYS 2 HZ1 LYS 2 5.832 -5.233 1.357
17 HZ2 LYS 2 HZ2 LYS 2 5.878 -3.555 1.568
18 HZ3 LYS 2 HZ3 LYS 2 4.667 -4.255 0.616
19 H TRP 3 H TRP 3 8.086 1.057 -1.497
20 HA TRP 3 HA TRP 3 7.427 3.794 -1.803
21 HB2 TRP 3 HB2 TRP 3 9.620 4.180 -1.366
22 HB3 TRP 3 HB3 TRP 3 9.617 2.478 -0.912
23 HD1 TRP 3 HD1 TRP 3 11.685 4.722 -2.756
24 HE1 TRP 3 HE1 TRP 3 13.065 3.528 -4.571
25 HE3 TRP 3 HE3 TRP 3 9.104 0.314 -2.970
26 HZ2 TRP 3 HZ2 TRP 3 13.059 1.047 -5.916
27 HZ3 TRP 3 HZ3 TRP 3 9.856 -1.417 -4.548
28 HH2 TRP 3 HH2 TRP 3 11.792 -1.057 -5.990
29 H ILE 4 H ILE 4 8.116 5.209 -3.552
30 HA ILE 4 HA ILE 4 8.010 3.864 -6.174
31 HB ILE 4 HB ILE 4 7.090 6.689 -5.803
32 HG12 ILE 4 HG12 ILE 4 4.734 5.478 -5.724
33 HG13 ILE 4 HG13 ILE 4 5.674 4.190 -4.979
34 HG21 ILE 4 HG21 ILE 4 6.813 4.531 -7.825
35 HG22 ILE 4 HG22 ILE 4 5.495 5.692 -7.661
36 HG23 ILE 4 HG23 ILE 4 7.123 6.254 -8.042
37 HD11 ILE 4 HD11 ILE 4 6.475 6.489 -3.654
38 HD12 ILE 4 HD12 ILE 4 4.733 6.671 -3.859
39 HD13 ILE 4 HD13 ILE 4 5.381 5.241 -3.055
40 H CYS 5 H CYS 5 10.057 5.378 -4.172
41 HA CYS 5 HA CYS 5 12.076 6.396 -4.417
42 HB2 CYS 5 HB2 CYS 5 12.539 4.668 -6.060
43 HB3 CYS 5 HB3 CYS 5 11.691 5.580 -7.304
44 H ALA 6 H ALA 6 11.950 8.506 -4.005
45 HA ALA 6 HA ALA 6 10.575 10.293 -5.847
46 HB1 ALA 6 HB1 ALA 6 10.803 10.242 -3.104
47 HB2 ALA 6 HB2 ALA 6 11.889 11.549 -3.575
48 HB3 ALA 6 HB3 ALA 6 10.197 11.588 -4.069
49 H ASN 7 H ASN 7 13.813 9.511 -4.789
50 HA ASN 7 HA ASN 7 15.056 10.596 -7.042
51 HB2 ASN 7 HB2 ASN 7 14.355 12.594 -5.203
52 HB3 ASN 7 HB3 ASN 7 16.081 12.335 -4.969
53 HD21 ASN 7 HD21 ASN 7 13.837 14.022 -6.679
54 HD22 ASN 7 HD22 ASN 7 14.798 14.482 -8.038
55 H ARG 8 H ARG 8 17.555 11.146 -6.303
56 HA ARG 8 HA ARG 8 18.698 8.706 -5.700
57 HB2 ARG 8 HB2 ARG 8 19.980 11.359 -5.051
58 HB3 ARG 8 HB3 ARG 8 20.782 9.853 -5.478
59 HG2 ARG 8 HG2 ARG 8 19.021 10.509 -7.593
60 HG3 ARG 8 HG3 ARG 8 19.928 11.964 -7.174
61 HD2 ARG 8 HD2 ARG 8 21.169 9.268 -7.705
62 HD3 ARG 8 HD3 ARG 8 21.024 10.551 -8.905
63 HE ARG 8 HE ARG 8 22.961 10.367 -6.821
64 HH11 ARG 8 HH11 ARG 8 21.106 12.611 -8.730
65 HH12 ARG 8 HH12 ARG 8 22.253 13.899 -8.567
66 HH21 ARG 8 HH21 ARG 8 24.479 12.055 -6.600
67 HH22 ARG 8 HH22 ARG 8 24.172 13.581 -7.356
68 H SER 9 H SER 9 17.572 11.212 -3.545
69 HA SER 9 HA SER 9 18.882 10.402 -1.197
70 HB2 SER 9 HB2 SER 9 17.498 12.545 -1.674
71 HB3 SER 9 HB3 SER 9 16.112 11.574 -1.179
72 HG SER 9 HG SER 9 16.725 11.772 0.817
73 H VAL 10 H VAL 10 15.979 9.251 -2.778
74 HA VAL 10 HA VAL 10 15.874 7.036 -0.853
75 HB VAL 10 HB VAL 10 13.328 7.121 -1.121
76 HG11 VAL 10 HG11 VAL 10 14.966 8.023 0.813
77 HG12 VAL 10 HG12 VAL 10 14.114 9.514 0.413
78 HG13 VAL 10 HG13 VAL 10 13.207 8.088 0.917
79 HG21 VAL 10 HG21 VAL 10 12.315 8.852 -2.124
80 HG22 VAL 10 HG22 VAL 10 13.429 10.029 -1.428
81 HG23 VAL 10 HG23 VAL 10 13.882 9.138 -2.881
82 H CYS 11 H CYS 11 16.969 5.868 -2.537
83 HA CYS 11 HA CYS 11 15.136 4.544 -4.307
84 HB2 CYS 11 HB2 CYS 11 16.254 6.774 -5.387
85 HB3 CYS 11 HB3 CYS 11 17.451 5.561 -5.830
86 HA PRO 12 HA PRO 12 18.656 2.011 -2.663
87 HB2 PRO 12 HB2 PRO 12 17.085 -0.026 -1.795
88 HB3 PRO 12 HB3 PRO 12 17.438 1.401 -0.813
89 HG2 PRO 12 HG2 PRO 12 15.011 0.783 -2.453
90 HG3 PRO 12 HG3 PRO 12 15.114 1.482 -0.827
91 HD2 PRO 12 HD2 PRO 12 14.694 2.989 -3.037
92 HD3 PRO 12 HD3 PRO 12 15.590 3.591 -1.628
93 H ILE 13 H ILE 13 18.598 2.125 -5.243
94 HA ILE 13 HA ILE 13 17.603 -0.371 -6.381
95 HB ILE 13 HB ILE 13 18.342 0.562 -8.548
96 HG12 ILE 13 HG12 ILE 13 18.917 3.126 -7.071
97 HG13 ILE 13 HG13 ILE 13 20.183 1.963 -7.447
98 HG21 ILE 13 HG21 ILE 13 16.783 2.802 -7.463
99 HG22 ILE 13 HG22 ILE 13 16.411 1.689 -8.781
100 HG23 ILE 13 HG23 ILE 13 16.137 1.199 -7.109
101 HD11 ILE 13 HD11 ILE 13 19.862 3.917 -9.038
102 HD12 ILE 13 HD12 ILE 13 19.967 2.306 -9.746
103 HD13 ILE 13 HD13 ILE 13 18.398 3.091 -9.570
Start of MODEL 8
1 H1 SER 1 H SER 1 0.630 -0.964 -0.283
2 HA SER 1 HA SER 1 2.078 -0.716 -2.107
3 HB2 SER 1 HB2 SER 1 0.426 1.147 -2.071
4 HB3 SER 1 HB3 SER 1 1.602 2.135 -1.203
5 HG SER 1 HG SER 1 2.224 0.932 -3.681
6 H LYS 2 H LYS 2 4.168 -0.643 -2.694
7 HA LYS 2 HA LYS 2 6.142 -0.100 -0.678
8 HB2 LYS 2 HB2 LYS 2 6.041 -1.423 -3.278
9 HB3 LYS 2 HB3 LYS 2 7.512 -0.486 -3.054
10 HG2 LYS 2 HG2 LYS 2 8.197 -2.462 -2.177
11 HG3 LYS 2 HG3 LYS 2 7.517 -1.732 -0.720
12 HD2 LYS 2 HD2 LYS 2 5.533 -3.002 -0.894
13 HD3 LYS 2 HD3 LYS 2 5.901 -3.492 -2.549
14 HE2 LYS 2 HE2 LYS 2 8.048 -4.506 -1.372
15 HE3 LYS 2 HE3 LYS 2 6.976 -4.513 0.028
16 HZ1 LYS 2 HZ1 LYS 2 5.457 -5.547 -1.988
17 HZ2 LYS 2 HZ2 LYS 2 6.983 -6.226 -2.259
18 HZ3 LYS 2 HZ3 LYS 2 6.219 -6.431 -0.763
19 H TRP 3 H TRP 3 8.201 1.118 -1.480
20 HA TRP 3 HA TRP 3 7.474 3.836 -1.802
21 HB2 TRP 3 HB2 TRP 3 9.638 4.283 -1.284
22 HB3 TRP 3 HB3 TRP 3 9.667 2.580 -0.836
23 HD1 TRP 3 HD1 TRP 3 11.737 4.889 -2.595
24 HE1 TRP 3 HE1 TRP 3 13.216 3.742 -4.362
25 HE3 TRP 3 HE3 TRP 3 9.292 0.411 -2.918
26 HZ2 TRP 3 HZ2 TRP 3 13.330 1.267 -5.715
27 HZ3 TRP 3 HZ3 TRP 3 10.150 -1.292 -4.473
28 HH2 TRP 3 HH2 TRP 3 12.127 -0.871 -5.842
29 H ILE 4 H ILE 4 8.186 5.278 -3.520
30 HA ILE 4 HA ILE 4 8.215 3.943 -6.148
31 HB ILE 4 HB ILE 4 7.202 6.739 -5.800
32 HG12 ILE 4 HG12 ILE 4 4.880 5.462 -5.813
33 HG13 ILE 4 HG13 ILE 4 5.828 4.197 -5.039
34 HG21 ILE 4 HG21 ILE 4 7.214 4.658 -7.871
35 HG22 ILE 4 HG22 ILE 4 5.693 5.536 -7.703
36 HG23 ILE 4 HG23 ILE 4 7.188 6.415 -8.024
37 HD11 ILE 4 HD11 ILE 4 6.515 6.510 -3.675
38 HD12 ILE 4 HD12 ILE 4 4.778 6.647 -3.946
39 HD13 ILE 4 HD13 ILE 4 5.433 5.231 -3.123
40 H CYS 5 H CYS 5 10.144 5.504 -4.068
41 HA CYS 5 HA CYS 5 12.141 6.580 -4.235
42 HB2 CYS 5 HB2 CYS 5 12.713 4.873 -5.866
43 HB3 CYS 5 HB3 CYS 5 11.884 5.766 -7.137
44 H ALA 6 H ALA 6 11.941 8.684 -3.821
45 HA ALA 6 HA ALA 6 10.583 10.440 -5.704
46 HB1 ALA 6 HB1 ALA 6 10.715 10.382 -2.955
47 HB2 ALA 6 HB2 ALA 6 11.780 11.722 -3.382
48 HB3 ALA 6 HB3 ALA 6 10.105 11.715 -3.936
49 H ASN 7 H ASN 7 13.802 9.742 -4.535
50 HA ASN 7 HA ASN 7 15.094 10.872 -6.737
51 HB2 ASN 7 HB2 ASN 7 14.273 12.841 -4.917
52 HB3 ASN 7 HB3 ASN 7 15.996 12.629 -4.622
53 HD21 ASN 7 HD21 ASN 7 13.769 14.265 -6.401
54 HD22 ASN 7 HD22 ASN 7 14.764 14.757 -7.725
55 H ARG 8 H ARG 8 17.548 11.488 -5.906
56 HA ARG 8 HA ARG 8 18.737 9.078 -5.272
57 HB2 ARG 8 HB2 ARG 8 19.920 11.763 -4.567
58 HB3 ARG 8 HB3 ARG 8 20.779 10.282 -4.971
59 HG2 ARG 8 HG2 ARG 8 19.078 10.898 -7.146
60 HG3 ARG 8 HG3 ARG 8 19.929 12.376 -6.689
61 HD2 ARG 8 HD2 ARG 8 21.526 11.525 -8.043
62 HD3 ARG 8 HD3 ARG 8 21.967 10.637 -6.585
63 HE ARG 8 HE ARG 8 21.312 8.706 -7.616
64 HH11 ARG 8 HH11 ARG 8 19.951 11.416 -9.327
65 HH12 ARG 8 HH12 ARG 8 19.326 10.451 -10.623
66 HH21 ARG 8 HH21 ARG 8 20.495 7.425 -9.317
67 HH22 ARG 8 HH22 ARG 8 19.636 8.181 -10.616
68 H SER 9 H SER 9 17.467 11.542 -3.150
69 HA SER 9 HA SER 9 18.714 10.756 -0.759
70 HB2 SER 9 HB2 SER 9 17.288 12.863 -1.277
71 HB3 SER 9 HB3 SER 9 15.913 11.851 -0.837
72 HG SER 9 HG SER 9 17.608 13.125 0.771
73 H VAL 10 H VAL 10 15.901 9.535 -2.447
74 HA VAL 10 HA VAL 10 15.789 7.308 -0.536
75 HB VAL 10 HB VAL 10 13.252 7.323 -0.898
76 HG11 VAL 10 HG11 VAL 10 14.790 8.253 1.102
77 HG12 VAL 10 HG12 VAL 10 13.923 9.728 0.675
78 HG13 VAL 10 HG13 VAL 10 13.027 8.281 1.137
79 HG21 VAL 10 HG21 VAL 10 13.813 9.362 -2.628
80 HG22 VAL 10 HG22 VAL 10 12.229 9.032 -1.927
81 HG23 VAL 10 HG23 VAL 10 13.287 10.235 -1.189
82 H CYS 11 H CYS 11 16.977 6.179 -2.183
83 HA CYS 11 HA CYS 11 15.247 4.812 -4.023
84 HB2 CYS 11 HB2 CYS 11 16.342 7.078 -5.053
85 HB3 CYS 11 HB3 CYS 11 17.586 5.900 -5.459
86 HA PRO 12 HA PRO 12 18.776 2.371 -2.262
87 HB2 PRO 12 HB2 PRO 12 17.233 0.287 -1.460
88 HB3 PRO 12 HB3 PRO 12 17.509 1.718 -0.460
89 HG2 PRO 12 HG2 PRO 12 15.162 1.039 -2.190
90 HG3 PRO 12 HG3 PRO 12 15.186 1.734 -0.559
91 HD2 PRO 12 HD2 PRO 12 14.804 3.239 -2.777
92 HD3 PRO 12 HD3 PRO 12 15.630 3.859 -1.333
93 H ILE 13 H ILE 13 18.807 2.497 -4.843
94 HA ILE 13 HA ILE 13 17.832 0.089 -6.115
95 HB ILE 13 HB ILE 13 17.872 2.241 -7.333
96 HG12 ILE 13 HG12 ILE 13 19.661 0.965 -9.128
97 HG13 ILE 13 HG13 ILE 13 18.823 -0.305 -8.243
98 HG21 ILE 13 HG21 ILE 13 20.020 3.107 -8.165
99 HG22 ILE 13 HG22 ILE 13 19.903 3.183 -6.407
100 HG23 ILE 13 HG23 ILE 13 20.866 1.919 -7.173
101 HD11 ILE 13 HD11 ILE 13 16.766 0.289 -9.080
102 HD12 ILE 13 HD12 ILE 13 17.270 1.941 -9.438
103 HD13 ILE 13 HD13 ILE 13 17.829 0.610 -10.451
Start of MODEL 9
1 H1 SER 1 H SER 1 0.994 -0.607 0.022
2 HA SER 1 HA SER 1 2.163 -0.471 -2.524
3 HB2 SER 1 HB2 SER 1 0.363 1.045 -1.698
4 HB3 SER 1 HB3 SER 1 1.554 1.845 -0.672
5 HG SER 1 HG SER 1 1.550 3.044 -2.479
6 H LYS 2 H LYS 2 4.293 -1.140 -2.492
7 HA LYS 2 HA LYS 2 6.284 -0.341 -0.725
8 HB2 LYS 2 HB2 LYS 2 6.157 -1.618 -3.348
9 HB3 LYS 2 HB3 LYS 2 7.612 -0.652 -3.134
10 HG2 LYS 2 HG2 LYS 2 8.474 -2.441 -2.138
11 HG3 LYS 2 HG3 LYS 2 7.435 -2.043 -0.768
12 HD2 LYS 2 HD2 LYS 2 5.659 -3.459 -1.780
13 HD3 LYS 2 HD3 LYS 2 6.807 -3.933 -3.035
14 HE2 LYS 2 HE2 LYS 2 7.047 -5.666 -1.548
15 HE3 LYS 2 HE3 LYS 2 8.310 -4.572 -0.989
16 HZ1 LYS 2 HZ1 LYS 2 7.207 -4.123 0.910
17 HZ2 LYS 2 HZ2 LYS 2 5.676 -4.218 0.196
18 HZ3 LYS 2 HZ3 LYS 2 6.500 -5.633 0.623
19 H TRP 3 H TRP 3 8.294 0.942 -1.542
20 HA TRP 3 HA TRP 3 7.498 3.646 -1.802
21 HB2 TRP 3 HB2 TRP 3 9.660 4.136 -1.319
22 HB3 TRP 3 HB3 TRP 3 9.738 2.427 -0.901
23 HD1 TRP 3 HD1 TRP 3 11.719 4.814 -2.657
24 HE1 TRP 3 HE1 TRP 3 13.189 3.733 -4.473
25 HE3 TRP 3 HE3 TRP 3 9.372 0.286 -3.014
26 HZ2 TRP 3 HZ2 TRP 3 13.334 1.286 -5.872
27 HZ3 TRP 3 HZ3 TRP 3 10.239 -1.369 -4.616
28 HH2 TRP 3 HH2 TRP 3 12.178 -0.877 -6.014
29 H ILE 4 H ILE 4 8.143 5.135 -3.507
30 HA ILE 4 HA ILE 4 8.150 3.847 -6.159
31 HB ILE 4 HB ILE 4 7.080 6.612 -5.740
32 HG12 ILE 4 HG12 ILE 4 4.788 5.281 -5.735
33 HG13 ILE 4 HG13 ILE 4 5.780 4.025 -5.002
34 HG21 ILE 4 HG21 ILE 4 6.809 4.449 -7.789
35 HG22 ILE 4 HG22 ILE 4 5.601 5.728 -7.667
36 HG23 ILE 4 HG23 ILE 4 7.285 6.134 -8.000
37 HD11 ILE 4 HD11 ILE 4 5.389 5.014 -3.061
38 HD12 ILE 4 HD12 ILE 4 6.442 6.321 -3.604
39 HD13 ILE 4 HD13 ILE 4 4.698 6.434 -3.846
40 H CYS 5 H CYS 5 10.082 5.418 -4.088
41 HA CYS 5 HA CYS 5 12.050 6.542 -4.275
42 HB2 CYS 5 HB2 CYS 5 12.629 4.877 -5.946
43 HB3 CYS 5 HB3 CYS 5 11.757 5.773 -7.185
44 H ALA 6 H ALA 6 11.808 8.633 -3.819
45 HA ALA 6 HA ALA 6 10.375 10.389 -5.647
46 HB1 ALA 6 HB1 ALA 6 10.559 10.287 -2.902
47 HB2 ALA 6 HB2 ALA 6 11.584 11.659 -3.325
48 HB3 ALA 6 HB3 ALA 6 9.900 11.622 -3.849
49 H ASN 7 H ASN 7 13.630 9.749 -4.548
50 HA ASN 7 HA ASN 7 14.854 10.946 -6.753
51 HB2 ASN 7 HB2 ASN 7 14.021 12.864 -4.885
52 HB3 ASN 7 HB3 ASN 7 15.754 12.688 -4.624
53 HD21 ASN 7 HD21 ASN 7 13.453 14.293 -6.341
54 HD22 ASN 7 HD22 ASN 7 14.414 14.834 -7.671
55 H ARG 8 H ARG 8 17.309 11.605 -5.957
56 HA ARG 8 HA ARG 8 18.564 9.213 -5.387
57 HB2 ARG 8 HB2 ARG 8 19.698 11.913 -4.658
58 HB3 ARG 8 HB3 ARG 8 20.583 10.460 -5.103
59 HG2 ARG 8 HG2 ARG 8 18.827 11.073 -7.235
60 HG3 ARG 8 HG3 ARG 8 19.654 12.561 -6.770
61 HD2 ARG 8 HD2 ARG 8 21.035 11.553 -8.388
62 HD3 ARG 8 HD3 ARG 8 21.803 11.216 -6.838
63 HE ARG 8 HE ARG 8 20.103 9.083 -7.474
64 HH11 ARG 8 HH11 ARG 8 23.062 10.548 -8.577
65 HH12 ARG 8 HH12 ARG 8 23.711 9.071 -9.210
66 HH21 ARG 8 HH21 ARG 8 20.946 7.133 -8.303
67 HH22 ARG 8 HH22 ARG 8 22.505 7.129 -9.054
68 H SER 9 H SER 9 17.276 11.610 -3.200
69 HA SER 9 HA SER 9 18.586 10.815 -0.846
70 HB2 SER 9 HB2 SER 9 17.103 12.896 -1.301
71 HB3 SER 9 HB3 SER 9 15.760 11.845 -0.853
72 HG SER 9 HG SER 9 17.109 13.190 0.805
73 H VAL 10 H VAL 10 15.773 9.554 -2.504
74 HA VAL 10 HA VAL 10 15.748 7.294 -0.629
75 HB VAL 10 HB VAL 10 13.206 7.256 -0.942
76 HG11 VAL 10 HG11 VAL 10 14.724 8.134 1.060
77 HG12 VAL 10 HG12 VAL 10 13.917 9.649 0.655
78 HG13 VAL 10 HG13 VAL 10 12.964 8.233 1.096
79 HG21 VAL 10 HG21 VAL 10 13.686 9.335 -2.649
80 HG22 VAL 10 HG22 VAL 10 12.123 8.956 -1.924
81 HG23 VAL 10 HG23 VAL 10 13.166 10.171 -1.186
82 H CYS 11 H CYS 11 16.932 6.223 -2.317
83 HA CYS 11 HA CYS 11 15.200 4.845 -4.147
84 HB2 CYS 11 HB2 CYS 11 16.220 7.154 -5.159
85 HB3 CYS 11 HB3 CYS 11 17.484 6.013 -5.607
86 HA PRO 12 HA PRO 12 18.818 2.460 -2.494
87 HB2 PRO 12 HB2 PRO 12 17.340 0.326 -1.701
88 HB3 PRO 12 HB3 PRO 12 17.600 1.746 -0.682
89 HG2 PRO 12 HG2 PRO 12 15.238 1.041 -2.380
90 HG3 PRO 12 HG3 PRO 12 15.276 1.708 -0.738
91 HD2 PRO 12 HD2 PRO 12 14.817 3.241 -2.922
92 HD3 PRO 12 HD3 PRO 12 15.655 3.856 -1.483
93 H ILE 13 H ILE 13 18.800 2.630 -5.072
94 HA ILE 13 HA ILE 13 18.063 0.028 -6.212
95 HB ILE 13 HB ILE 13 17.271 2.041 -7.406
96 HG12 ILE 13 HG12 ILE 13 19.327 0.819 -9.199
97 HG13 ILE 13 HG13 ILE 13 18.103 -0.226 -8.485
98 HG21 ILE 13 HG21 ILE 13 19.707 3.105 -6.806
99 HG22 ILE 13 HG22 ILE 13 19.899 2.702 -8.513
100 HG23 ILE 13 HG23 ILE 13 18.584 3.759 -7.998
101 HD11 ILE 13 HD11 ILE 13 17.646 2.151 -10.267
102 HD12 ILE 13 HD12 ILE 13 17.369 0.451 -10.650
103 HD13 ILE 13 HD13 ILE 13 16.365 1.259 -9.446
Start of MODEL 10
1 H1 SER 1 H SER 1 0.456 -0.119 -0.192
2 HA SER 1 HA SER 1 2.106 -1.172 -1.907
3 HB2 SER 1 HB2 SER 1 2.464 1.315 -2.859
4 HB3 SER 1 HB3 SER 1 0.921 0.468 -2.970
5 HG SER 1 HG SER 1 0.237 2.199 -1.968
6 H LYS 2 H LYS 2 4.203 -0.800 -2.826
7 HA LYS 2 HA LYS 2 6.208 -0.344 -0.799
8 HB2 LYS 2 HB2 LYS 2 6.070 -1.629 -3.417
9 HB3 LYS 2 HB3 LYS 2 7.547 -0.700 -3.195
10 HG2 LYS 2 HG2 LYS 2 8.090 -2.842 -2.461
11 HG3 LYS 2 HG3 LYS 2 7.785 -1.938 -0.975
12 HD2 LYS 2 HD2 LYS 2 5.482 -3.343 -2.205
13 HD3 LYS 2 HD3 LYS 2 6.723 -4.342 -1.445
14 HE2 LYS 2 HE2 LYS 2 6.049 -2.077 0.213
15 HE3 LYS 2 HE3 LYS 2 4.611 -3.016 -0.189
16 HZ1 LYS 2 HZ1 LYS 2 5.236 -4.343 1.466
17 HZ2 LYS 2 HZ2 LYS 2 6.460 -4.906 0.442
18 HZ3 LYS 2 HZ3 LYS 2 6.787 -3.674 1.555
19 H TRP 3 H TRP 3 8.257 0.883 -1.607
20 HA TRP 3 HA TRP 3 7.532 3.605 -1.885
21 HB2 TRP 3 HB2 TRP 3 9.702 4.043 -1.386
22 HB3 TRP 3 HB3 TRP 3 9.734 2.334 -0.960
23 HD1 TRP 3 HD1 TRP 3 11.788 4.662 -2.711
24 HE1 TRP 3 HE1 TRP 3 13.244 3.537 -4.510
25 HE3 TRP 3 HE3 TRP 3 9.329 0.194 -3.068
26 HZ2 TRP 3 HZ2 TRP 3 13.338 1.081 -5.898
27 HZ3 TRP 3 HZ3 TRP 3 10.166 -1.489 -4.656
28 HH2 TRP 3 HH2 TRP 3 12.129 -1.053 -6.041
29 H ILE 4 H ILE 4 8.230 5.069 -3.591
30 HA ILE 4 HA ILE 4 8.225 3.770 -6.237
31 HB ILE 4 HB ILE 4 7.222 6.563 -5.841
32 HG12 ILE 4 HG12 ILE 4 4.897 5.291 -5.844
33 HG13 ILE 4 HG13 ILE 4 5.852 4.014 -5.098
34 HG21 ILE 4 HG21 ILE 4 5.856 4.839 -7.729
35 HG22 ILE 4 HG22 ILE 4 6.632 6.402 -7.983
36 HG23 ILE 4 HG23 ILE 4 7.590 4.923 -8.037
37 HD11 ILE 4 HD11 ILE 4 6.562 6.300 -3.708
38 HD12 ILE 4 HD12 ILE 4 4.824 6.456 -3.962
39 HD13 ILE 4 HD13 ILE 4 5.473 5.023 -3.165
40 H CYS 5 H CYS 5 10.180 5.301 -4.158
41 HA CYS 5 HA CYS 5 12.177 6.375 -4.333
42 HB2 CYS 5 HB2 CYS 5 12.726 4.688 -5.994
43 HB3 CYS 5 HB3 CYS 5 11.887 5.602 -7.243
44 H ALA 6 H ALA 6 11.984 8.474 -3.888
45 HA ALA 6 HA ALA 6 10.610 10.257 -5.734
46 HB1 ALA 6 HB1 ALA 6 11.833 11.504 -3.407
47 HB2 ALA 6 HB2 ALA 6 10.153 11.510 -3.945
48 HB3 ALA 6 HB3 ALA 6 10.768 10.162 -2.988
49 H ASN 7 H ASN 7 13.839 9.540 -4.606
50 HA ASN 7 HA ASN 7 15.111 10.696 -6.806
51 HB2 ASN 7 HB2 ASN 7 14.310 12.643 -4.954
52 HB3 ASN 7 HB3 ASN 7 16.036 12.426 -4.679
53 HD21 ASN 7 HD21 ASN 7 13.789 14.079 -6.421
54 HD22 ASN 7 HD22 ASN 7 14.772 14.589 -7.747
55 H ARG 8 H ARG 8 17.574 11.300 -5.990
56 HA ARG 8 HA ARG 8 18.766 8.881 -5.398
57 HB2 ARG 8 HB2 ARG 8 19.958 11.556 -4.673
58 HB3 ARG 8 HB3 ARG 8 20.812 10.080 -5.101
59 HG2 ARG 8 HG2 ARG 8 19.089 10.726 -7.251
60 HG3 ARG 8 HG3 ARG 8 19.954 12.193 -6.788
61 HD2 ARG 8 HD2 ARG 8 22.025 10.586 -6.755
62 HD3 ARG 8 HD3 ARG 8 21.016 9.600 -7.812
63 HE ARG 8 HE ARG 8 21.345 11.121 -9.490
64 HH11 ARG 8 HH11 ARG 8 22.291 12.542 -6.456
65 HH12 ARG 8 HH12 ARG 8 22.984 13.953 -7.183
66 HH21 ARG 8 HH21 ARG 8 22.255 12.975 -10.460
67 HH22 ARG 8 HH22 ARG 8 22.962 14.199 -9.461
68 H SER 9 H SER 9 17.515 11.318 -3.234
69 HA SER 9 HA SER 9 18.785 10.503 -0.865
70 HB2 SER 9 HB2 SER 9 17.357 12.617 -1.343
71 HB3 SER 9 HB3 SER 9 15.985 11.602 -0.902
72 HG SER 9 HG SER 9 16.502 12.156 1.058
73 H VAL 10 H VAL 10 15.957 9.303 -2.542
74 HA VAL 10 HA VAL 10 15.861 7.053 -0.658
75 HB VAL 10 HB VAL 10 13.322 7.076 -0.990
76 HG11 VAL 10 HG11 VAL 10 14.878 7.978 1.004
77 HG12 VAL 10 HG12 VAL 10 14.017 9.464 0.600
78 HG13 VAL 10 HG13 VAL 10 13.116 8.018 1.056
79 HG21 VAL 10 HG21 VAL 10 12.288 8.794 -1.992
80 HG22 VAL 10 HG22 VAL 10 13.351 9.989 -1.249
81 HG23 VAL 10 HG23 VAL 10 13.866 9.134 -2.704
82 H CYS 11 H CYS 11 17.030 5.944 -2.332
83 HA CYS 11 HA CYS 11 15.279 4.603 -4.171
84 HB2 CYS 11 HB2 CYS 11 16.366 6.880 -5.184
85 HB3 CYS 11 HB3 CYS 11 17.606 5.707 -5.614
86 HA PRO 12 HA PRO 12 18.821 2.134 -2.477
87 HB2 PRO 12 HB2 PRO 12 17.283 0.042 -1.685
88 HB3 PRO 12 HB3 PRO 12 17.571 1.460 -0.671
89 HG2 PRO 12 HG2 PRO 12 15.206 0.808 -2.385
90 HG3 PRO 12 HG3 PRO 12 15.247 1.482 -0.745
91 HD2 PRO 12 HD2 PRO 12 14.846 3.015 -2.940
92 HD3 PRO 12 HD3 PRO 12 15.688 3.615 -1.497
93 H ILE 13 H ILE 13 18.827 2.292 -5.055
94 HA ILE 13 HA ILE 13 18.507 -0.473 -6.004
95 HB ILE 13 HB ILE 13 16.685 0.811 -6.976
96 HG12 ILE 13 HG12 ILE 13 18.825 0.356 -9.063
97 HG13 ILE 13 HG13 ILE 13 17.887 -0.936 -8.320
98 HG21 ILE 13 HG21 ILE 13 17.233 2.678 -8.561
99 HG22 ILE 13 HG22 ILE 13 17.508 3.039 -6.857
100 HG23 ILE 13 HG23 ILE 13 18.872 2.658 -7.908
101 HD11 ILE 13 HD11 ILE 13 17.164 0.934 -10.437
102 HD12 ILE 13 HD12 ILE 13 16.525 -0.666 -10.060
103 HD13 ILE 13 HD13 ILE 13 15.932 0.748 -9.189
Start of MODEL 11
1 H1 SER 1 H SER 1 0.863 0.306 -3.017
2 HA SER 1 HA SER 1 1.467 1.040 -0.797
3 HB2 SER 1 HB2 SER 1 1.922 -1.124 0.344
4 HB3 SER 1 HB3 SER 1 0.608 -1.235 -0.827
5 HG SER 1 HG SER 1 2.269 -2.948 -0.870
6 H LYS 2 H LYS 2 4.082 -0.684 -2.462
7 HA LYS 2 HA LYS 2 6.083 -0.040 -0.553
8 HB2 LYS 2 HB2 LYS 2 5.937 -1.377 -3.145
9 HB3 LYS 2 HB3 LYS 2 7.421 -0.456 -2.939
10 HG2 LYS 2 HG2 LYS 2 7.968 -2.566 -2.149
11 HG3 LYS 2 HG3 LYS 2 7.616 -1.655 -0.679
12 HD2 LYS 2 HD2 LYS 2 6.510 -3.710 -0.403
13 HD3 LYS 2 HD3 LYS 2 5.246 -2.572 -0.875
14 HE2 LYS 2 HE2 LYS 2 5.022 -3.489 -2.977
15 HE3 LYS 2 HE3 LYS 2 6.659 -4.141 -2.982
16 HZ1 LYS 2 HZ1 LYS 2 4.464 -5.603 -2.554
17 HZ2 LYS 2 HZ2 LYS 2 6.001 -6.023 -1.986
18 HZ3 LYS 2 HZ3 LYS 2 4.905 -5.243 -0.960
19 H TRP 3 H TRP 3 8.139 1.158 -1.379
20 HA TRP 3 HA TRP 3 7.432 3.878 -1.718
21 HB2 TRP 3 HB2 TRP 3 9.604 4.312 -1.225
22 HB3 TRP 3 HB3 TRP 3 9.623 2.613 -0.761
23 HD1 TRP 3 HD1 TRP 3 11.697 4.887 -2.559
24 HE1 TRP 3 HE1 TRP 3 13.149 3.712 -4.329
25 HE3 TRP 3 HE3 TRP 3 9.209 0.429 -2.821
26 HZ2 TRP 3 HZ2 TRP 3 13.229 1.225 -5.662
27 HZ3 TRP 3 HZ3 TRP 3 10.037 -1.295 -4.369
28 HH2 TRP 3 HH2 TRP 3 12.006 -0.903 -5.759
29 H ILE 4 H ILE 4 8.143 5.301 -3.454
30 HA ILE 4 HA ILE 4 8.134 3.945 -6.072
31 HB ILE 4 HB ILE 4 7.148 6.752 -5.735
32 HG12 ILE 4 HG12 ILE 4 4.816 5.494 -5.720
33 HG13 ILE 4 HG13 ILE 4 5.760 4.227 -4.945
34 HG21 ILE 4 HG21 ILE 4 6.794 4.538 -7.724
35 HG22 ILE 4 HG22 ILE 4 5.674 5.899 -7.661
36 HG23 ILE 4 HG23 ILE 4 7.385 6.180 -7.981
37 HD11 ILE 4 HD11 ILE 4 4.746 6.700 -3.863
38 HD12 ILE 4 HD12 ILE 4 5.380 5.278 -3.035
39 HD13 ILE 4 HD13 ILE 4 6.482 6.534 -3.598
40 H CYS 5 H CYS 5 10.096 5.505 -4.022
41 HA CYS 5 HA CYS 5 12.100 6.562 -4.216
42 HB2 CYS 5 HB2 CYS 5 12.645 4.838 -5.836
43 HB3 CYS 5 HB3 CYS 5 11.810 5.725 -7.108
44 H ALA 6 H ALA 6 11.919 8.671 -3.816
45 HA ALA 6 HA ALA 6 10.561 10.423 -5.704
46 HB1 ALA 6 HB1 ALA 6 10.107 11.715 -3.942
47 HB2 ALA 6 HB2 ALA 6 10.716 10.387 -2.955
48 HB3 ALA 6 HB3 ALA 6 11.786 11.715 -3.403
49 H ASN 7 H ASN 7 13.784 9.714 -4.549
50 HA ASN 7 HA ASN 7 15.068 10.811 -6.772
51 HB2 ASN 7 HB2 ASN 7 14.275 12.804 -4.965
52 HB3 ASN 7 HB3 ASN 7 15.999 12.582 -4.681
53 HD21 ASN 7 HD21 ASN 7 13.772 14.219 -6.458
54 HD22 ASN 7 HD22 ASN 7 14.760 14.690 -7.795
55 H ARG 8 H ARG 8 17.533 11.417 -5.964
56 HA ARG 8 HA ARG 8 18.709 9.005 -5.316
57 HB2 ARG 8 HB2 ARG 8 19.916 11.687 -4.643
58 HB3 ARG 8 HB3 ARG 8 20.761 10.197 -5.041
59 HG2 ARG 8 HG2 ARG 8 19.050 10.804 -7.209
60 HG3 ARG 8 HG3 ARG 8 19.911 12.281 -6.771
61 HD2 ARG 8 HD2 ARG 8 22.035 11.143 -6.957
62 HD3 ARG 8 HD3 ARG 8 21.219 9.610 -7.265
63 HE ARG 8 HE ARG 8 20.329 11.312 -9.225
64 HH11 ARG 8 HH11 ARG 8 23.420 10.121 -8.154
65 HH12 ARG 8 HH12 ARG 8 24.145 10.210 -9.725
66 HH21 ARG 8 HH21 ARG 8 21.272 11.435 -11.298
67 HH22 ARG 8 HH22 ARG 8 22.923 10.958 -11.513
68 H SER 9 H SER 9 17.469 11.496 -3.208
69 HA SER 9 HA SER 9 18.727 10.724 -0.818
70 HB2 SER 9 HB2 SER 9 17.312 12.836 -1.348
71 HB3 SER 9 HB3 SER 9 15.934 11.838 -0.884
72 HG SER 9 HG SER 9 16.865 13.070 0.861
73 H VAL 10 H VAL 10 15.895 9.507 -2.478
74 HA VAL 10 HA VAL 10 15.781 7.297 -0.547
75 HB VAL 10 HB VAL 10 13.242 7.330 -0.882
76 HG11 VAL 10 HG11 VAL 10 13.039 8.320 1.142
77 HG12 VAL 10 HG12 VAL 10 14.801 8.263 1.094
78 HG13 VAL 10 HG13 VAL 10 13.954 9.747 0.657
79 HG21 VAL 10 HG21 VAL 10 13.285 10.236 -1.201
80 HG22 VAL 10 HG22 VAL 10 13.805 9.353 -2.636
81 HG23 VAL 10 HG23 VAL 10 12.223 9.030 -1.928
82 H CYS 11 H CYS 11 16.942 6.143 -2.193
83 HA CYS 11 HA CYS 11 15.185 4.778 -4.008
84 HB2 CYS 11 HB2 CYS 11 16.286 7.025 -5.067
85 HB3 CYS 11 HB3 CYS 11 17.523 5.839 -5.468
86 HA PRO 12 HA PRO 12 18.708 2.321 -2.256
87 HB2 PRO 12 HB2 PRO 12 17.153 0.260 -1.417
88 HB3 PRO 12 HB3 PRO 12 17.454 1.698 -0.435
89 HG2 PRO 12 HG2 PRO 12 15.082 1.026 -2.133
90 HG3 PRO 12 HG3 PRO 12 15.130 1.736 -0.509
91 HD2 PRO 12 HD2 PRO 12 14.739 3.223 -2.739
92 HD3 PRO 12 HD3 PRO 12 15.587 3.849 -1.310
93 H ILE 13 H ILE 13 18.715 2.420 -4.837
94 HA ILE 13 HA ILE 13 17.728 -0.025 -6.048
95 HB ILE 13 HB ILE 13 17.652 2.100 -7.304
96 HG12 ILE 13 HG12 ILE 13 19.372 0.922 -9.183
97 HG13 ILE 13 HG13 ILE 13 18.762 -0.413 -8.212
98 HG21 ILE 13 HG21 ILE 13 19.472 3.367 -7.826
99 HG22 ILE 13 HG22 ILE 13 20.023 2.700 -6.289
100 HG23 ILE 13 HG23 ILE 13 20.575 1.991 -7.807
101 HD11 ILE 13 HD11 ILE 13 16.811 -0.344 -9.248
102 HD12 ILE 13 HD12 ILE 13 16.628 1.376 -8.906
103 HD13 ILE 13 HD13 ILE 13 17.499 0.851 -10.347
Start of MODEL 12
1 H1 SER 1 H SER 1 1.785 -0.826 0.572
2 HA SER 1 HA SER 1 2.173 -0.610 -2.341
3 HB2 SER 1 HB2 SER 1 2.050 1.974 -1.720
4 HB3 SER 1 HB3 SER 1 0.594 1.043 -2.072
5 HG SER 1 HG SER 1 -0.029 1.326 -0.090
6 H LYS 2 H LYS 2 4.292 -1.111 -2.501
7 HA LYS 2 HA LYS 2 6.274 -0.384 -0.618
8 HB2 LYS 2 HB2 LYS 2 6.164 -1.726 -3.211
9 HB3 LYS 2 HB3 LYS 2 7.626 -0.771 -3.001
10 HG2 LYS 2 HG2 LYS 2 8.418 -2.618 -2.021
11 HG3 LYS 2 HG3 LYS 2 7.503 -2.059 -0.619
12 HD2 LYS 2 HD2 LYS 2 6.233 -3.800 -2.706
13 HD3 LYS 2 HD3 LYS 2 7.194 -4.497 -1.399
14 HE2 LYS 2 HE2 LYS 2 5.610 -4.090 0.146
15 HE3 LYS 2 HE3 LYS 2 5.203 -2.518 -0.541
16 HZ1 LYS 2 HZ1 LYS 2 3.507 -3.386 -1.663
17 HZ2 LYS 2 HZ2 LYS 2 4.414 -4.702 -2.219
18 HZ3 LYS 2 HZ3 LYS 2 3.681 -4.764 -0.696
19 H TRP 3 H TRP 3 8.300 0.863 -1.443
20 HA TRP 3 HA TRP 3 7.526 3.564 -1.788
21 HB2 TRP 3 HB2 TRP 3 9.686 4.053 -1.291
22 HB3 TRP 3 HB3 TRP 3 9.746 2.356 -0.825
23 HD1 TRP 3 HD1 TRP 3 11.767 4.678 -2.621
24 HE1 TRP 3 HE1 TRP 3 13.251 3.538 -4.387
25 HE3 TRP 3 HE3 TRP 3 9.390 0.160 -2.883
26 HZ2 TRP 3 HZ2 TRP 3 13.395 1.051 -5.716
27 HZ3 TRP 3 HZ3 TRP 3 10.264 -1.545 -4.427
28 HH2 TRP 3 HH2 TRP 3 12.225 -1.106 -5.814
29 H ILE 4 H ILE 4 8.198 5.001 -3.525
30 HA ILE 4 HA ILE 4 8.229 3.641 -6.140
31 HB ILE 4 HB ILE 4 7.177 6.425 -5.810
32 HG12 ILE 4 HG12 ILE 4 4.875 5.113 -5.796
33 HG13 ILE 4 HG13 ILE 4 5.847 3.869 -5.017
34 HG21 ILE 4 HG21 ILE 4 6.794 4.188 -7.780
35 HG22 ILE 4 HG22 ILE 4 5.755 5.613 -7.749
36 HG23 ILE 4 HG23 ILE 4 7.483 5.788 -8.057
37 HD11 ILE 4 HD11 ILE 4 4.778 6.324 -3.943
38 HD12 ILE 4 HD12 ILE 4 5.433 4.914 -3.110
39 HD13 ILE 4 HD13 ILE 4 6.515 6.190 -3.670
40 H CYS 5 H CYS 5 10.150 5.252 -4.090
41 HA CYS 5 HA CYS 5 12.129 6.355 -4.284
42 HB2 CYS 5 HB2 CYS 5 12.713 4.640 -5.903
43 HB3 CYS 5 HB3 CYS 5 11.864 5.511 -7.176
44 H ALA 6 H ALA 6 11.902 8.460 -3.889
45 HA ALA 6 HA ALA 6 10.502 10.177 -5.777
46 HB1 ALA 6 HB1 ALA 6 10.656 10.150 -3.031
47 HB2 ALA 6 HB2 ALA 6 11.704 11.496 -3.478
48 HB3 ALA 6 HB3 ALA 6 10.026 11.467 -4.020
49 H ASN 7 H ASN 7 13.742 9.527 -4.645
50 HA ASN 7 HA ASN 7 14.993 10.660 -6.867
51 HB2 ASN 7 HB2 ASN 7 14.169 12.631 -5.050
52 HB3 ASN 7 HB3 ASN 7 15.898 12.443 -4.775
53 HD21 ASN 7 HD21 ASN 7 13.648 14.068 -6.514
54 HD22 ASN 7 HD22 ASN 7 14.613 14.551 -7.863
55 H ARG 8 H ARG 8 17.449 11.315 -6.066
56 HA ARG 8 HA ARG 8 18.677 8.924 -5.431
57 HB2 ARG 8 HB2 ARG 8 19.830 11.630 -4.755
58 HB3 ARG 8 HB3 ARG 8 20.705 10.158 -5.156
59 HG2 ARG 8 HG2 ARG 8 18.969 10.746 -7.316
60 HG3 ARG 8 HG3 ARG 8 19.824 12.227 -6.882
61 HD2 ARG 8 HD2 ARG 8 21.887 10.560 -6.805
62 HD3 ARG 8 HD3 ARG 8 20.875 9.654 -7.930
63 HE ARG 8 HE ARG 8 20.899 12.239 -8.869
64 HH11 ARG 8 HH11 ARG 8 23.265 9.774 -8.204
65 HH12 ARG 8 HH12 ARG 8 24.362 10.312 -9.432
66 HH21 ARG 8 HH21 ARG 8 22.335 12.958 -10.489
67 HH22 ARG 8 HH22 ARG 8 23.833 12.124 -10.730
68 H SER 9 H SER 9 17.406 11.390 -3.308
69 HA SER 9 HA SER 9 18.686 10.633 -0.927
70 HB2 SER 9 HB2 SER 9 17.225 12.716 -1.441
71 HB3 SER 9 HB3 SER 9 15.869 11.688 -0.979
72 HG SER 9 HG SER 9 16.478 12.611 0.889
73 H VAL 10 H VAL 10 15.871 9.363 -2.576
74 HA VAL 10 HA VAL 10 15.811 7.147 -0.648
75 HB VAL 10 HB VAL 10 13.269 7.124 -0.995
76 HG11 VAL 10 HG11 VAL 10 14.806 8.074 0.993
77 HG12 VAL 10 HG12 VAL 10 13.924 9.541 0.568
78 HG13 VAL 10 HG13 VAL 10 13.043 8.087 1.038
79 HG21 VAL 10 HG21 VAL 10 13.288 10.040 -1.303
80 HG22 VAL 10 HG22 VAL 10 13.777 9.149 -2.744
81 HG23 VAL 10 HG23 VAL 10 12.210 8.831 -2.000
82 H CYS 11 H CYS 11 17.003 6.025 -2.297
83 HA CYS 11 HA CYS 11 15.279 4.616 -4.111
84 HB2 CYS 11 HB2 CYS 11 16.344 6.893 -5.164
85 HB3 CYS 11 HB3 CYS 11 17.586 5.716 -5.582
86 HA PRO 12 HA PRO 12 18.860 2.245 -2.360
87 HB2 PRO 12 HB2 PRO 12 17.356 0.144 -1.527
88 HB3 PRO 12 HB3 PRO 12 17.619 1.587 -0.542
89 HG2 PRO 12 HG2 PRO 12 15.268 0.859 -2.245
90 HG3 PRO 12 HG3 PRO 12 15.295 1.567 -0.620
91 HD2 PRO 12 HD2 PRO 12 14.871 3.047 -2.847
92 HD3 PRO 12 HD3 PRO 12 15.700 3.692 -1.416
93 H ILE 13 H ILE 13 18.868 2.349 -4.941
94 HA ILE 13 HA ILE 13 18.177 -0.311 -5.988
95 HB ILE 13 HB ILE 13 18.511 0.696 -8.235
96 HG12 ILE 13 HG12 ILE 13 18.604 3.336 -6.766
97 HG13 ILE 13 HG13 ILE 13 20.033 2.527 -7.402
98 HG21 ILE 13 HG21 ILE 13 16.406 1.334 -6.331
99 HG22 ILE 13 HG22 ILE 13 16.507 2.493 -7.657
100 HG23 ILE 13 HG23 ILE 13 16.293 0.776 -8.000
101 HD11 ILE 13 HD11 ILE 13 17.713 3.644 -8.945
102 HD12 ILE 13 HD12 ILE 13 19.394 4.175 -8.971
103 HD13 ILE 13 HD13 ILE 13 18.952 2.613 -9.659
Start of MODEL 13
1 H1 SER 1 H SER 1 0.319 -0.084 -0.242
2 HA SER 1 HA SER 1 1.982 -0.568 -1.975
3 HB2 SER 1 HB2 SER 1 2.169 1.892 -2.905
4 HB3 SER 1 HB3 SER 1 0.607 1.075 -2.855
5 HG SER 1 HG SER 1 0.010 2.733 -1.717
6 H LYS 2 H LYS 2 4.090 -0.829 -2.279
7 HA LYS 2 HA LYS 2 6.010 0.047 -0.421
8 HB2 LYS 2 HB2 LYS 2 5.975 -1.502 -2.896
9 HB3 LYS 2 HB3 LYS 2 7.447 -0.558 -2.708
10 HG2 LYS 2 HG2 LYS 2 8.152 -2.350 -1.564
11 HG3 LYS 2 HG3 LYS 2 7.234 -1.631 -0.240
12 HD2 LYS 2 HD2 LYS 2 5.272 -2.984 -0.936
13 HD3 LYS 2 HD3 LYS 2 6.286 -3.765 -2.151
14 HE2 LYS 2 HE2 LYS 2 7.823 -4.426 -0.259
15 HE3 LYS 2 HE3 LYS 2 6.563 -3.876 0.845
16 HZ1 LYS 2 HZ1 LYS 2 6.437 -6.110 -1.095
17 HZ2 LYS 2 HZ2 LYS 2 6.244 -6.173 0.585
18 HZ3 LYS 2 HZ3 LYS 2 5.051 -5.457 -0.377
19 H TRP 3 H TRP 3 8.069 1.221 -1.182
20 HA TRP 3 HA TRP 3 7.379 3.884 -1.799
21 HB2 TRP 3 HB2 TRP 3 9.533 4.375 -1.264
22 HB3 TRP 3 HB3 TRP 3 9.525 2.728 -0.642
23 HD1 TRP 3 HD1 TRP 3 11.675 4.830 -2.565
24 HE1 TRP 3 HE1 TRP 3 13.207 3.492 -4.143
25 HE3 TRP 3 HE3 TRP 3 9.212 0.351 -2.482
26 HZ2 TRP 3 HZ2 TRP 3 13.351 0.883 -5.211
27 HZ3 TRP 3 HZ3 TRP 3 10.112 -1.515 -3.810
28 HH2 TRP 3 HH2 TRP 3 12.139 -1.252 -5.146
29 H ILE 4 H ILE 4 8.023 5.167 -3.618
30 HA ILE 4 HA ILE 4 8.235 3.609 -6.112
31 HB ILE 4 HB ILE 4 7.080 6.365 -6.085
32 HG12 ILE 4 HG12 ILE 4 4.813 5.008 -5.990
33 HG13 ILE 4 HG13 ILE 4 5.789 3.865 -5.075
34 HG21 ILE 4 HG21 ILE 4 5.740 5.306 -7.964
35 HG22 ILE 4 HG22 ILE 4 7.471 5.506 -8.242
36 HG23 ILE 4 HG23 ILE 4 6.823 3.922 -7.815
37 HD11 ILE 4 HD11 ILE 4 4.663 6.408 -4.275
38 HD12 ILE 4 HD12 ILE 4 5.274 5.077 -3.292
39 HD13 ILE 4 HD13 ILE 4 6.387 6.292 -3.919
40 H CYS 5 H CYS 5 10.136 5.208 -4.170
41 HA CYS 5 HA CYS 5 12.103 6.331 -4.375
42 HB2 CYS 5 HB2 CYS 5 12.651 4.674 -6.065
43 HB3 CYS 5 HB3 CYS 5 11.767 5.582 -7.287
44 H ALA 6 H ALA 6 11.852 8.418 -3.895
45 HA ALA 6 HA ALA 6 10.413 10.190 -5.702
46 HB1 ALA 6 HB1 ALA 6 9.948 11.407 -3.891
47 HB2 ALA 6 HB2 ALA 6 10.613 10.066 -2.959
48 HB3 ALA 6 HB3 ALA 6 11.635 11.441 -3.378
49 H ASN 7 H ASN 7 13.674 9.540 -4.624
50 HA ASN 7 HA ASN 7 14.888 10.752 -6.827
51 HB2 ASN 7 HB2 ASN 7 14.064 12.657 -4.941
52 HB3 ASN 7 HB3 ASN 7 15.799 12.479 -4.691
53 HD21 ASN 7 HD21 ASN 7 13.494 14.105 -6.376
54 HD22 ASN 7 HD22 ASN 7 14.445 14.651 -7.711
55 H ARG 8 H ARG 8 17.346 11.405 -6.037
56 HA ARG 8 HA ARG 8 18.604 9.009 -5.490
57 HB2 ARG 8 HB2 ARG 8 19.741 11.704 -4.746
58 HB3 ARG 8 HB3 ARG 8 20.624 10.254 -5.206
59 HG2 ARG 8 HG2 ARG 8 18.859 10.882 -7.325
60 HG3 ARG 8 HG3 ARG 8 19.688 12.367 -6.853
61 HD2 ARG 8 HD2 ARG 8 21.334 9.917 -7.091
62 HD3 ARG 8 HD3 ARG 8 20.718 10.617 -8.588
63 HE ARG 8 HE ARG 8 21.957 12.548 -6.871
64 HH11 ARG 8 HH11 ARG 8 22.533 10.122 -9.300
65 HH12 ARG 8 HH12 ARG 8 24.023 10.824 -9.835
66 HH21 ARG 8 HH21 ARG 8 23.918 13.483 -7.567
67 HH22 ARG 8 HH22 ARG 8 24.811 12.736 -8.848
68 H SER 9 H SER 9 17.329 11.392 -3.279
69 HA SER 9 HA SER 9 18.648 10.578 -0.937
70 HB2 SER 9 HB2 SER 9 17.167 12.664 -1.369
71 HB3 SER 9 HB3 SER 9 15.823 11.612 -0.925
72 HG SER 9 HG SER 9 16.616 11.427 1.094
73 H VAL 10 H VAL 10 15.824 9.334 -2.591
74 HA VAL 10 HA VAL 10 15.808 7.058 -0.736
75 HB VAL 10 HB VAL 10 13.265 7.027 -1.021
76 HG11 VAL 10 HG11 VAL 10 13.920 9.419 0.577
77 HG12 VAL 10 HG12 VAL 10 13.078 7.939 1.038
78 HG13 VAL 10 HG13 VAL 10 14.839 7.961 0.950
79 HG21 VAL 10 HG21 VAL 10 13.211 9.940 -1.253
80 HG22 VAL 10 HG22 VAL 10 13.734 9.118 -2.723
81 HG23 VAL 10 HG23 VAL 10 12.175 8.723 -1.999
82 H CYS 11 H CYS 11 16.965 5.983 -2.432
83 HA CYS 11 HA CYS 11 15.214 4.641 -4.270
84 HB2 CYS 11 HB2 CYS 11 16.248 6.946 -5.267
85 HB3 CYS 11 HB3 CYS 11 17.509 5.804 -5.721
86 HA PRO 12 HA PRO 12 18.812 2.204 -2.648
87 HB2 PRO 12 HB2 PRO 12 17.314 0.079 -1.867
88 HB3 PRO 12 HB3 PRO 12 17.593 1.488 -0.837
89 HG2 PRO 12 HG2 PRO 12 15.218 0.822 -2.534
90 HG3 PRO 12 HG3 PRO 12 15.268 1.475 -0.886
91 HD2 PRO 12 HD2 PRO 12 14.819 3.030 -3.056
92 HD3 PRO 12 HD3 PRO 12 15.668 3.624 -1.614
93 H ILE 13 H ILE 13 18.788 2.396 -5.224
94 HA ILE 13 HA ILE 13 18.095 -0.235 -6.342
95 HB ILE 13 HB ILE 13 17.078 1.629 -7.535
96 HG12 ILE 13 HG12 ILE 13 19.346 0.533 -9.202
97 HG13 ILE 13 HG13 ILE 13 17.939 -0.420 -8.746
98 HG21 ILE 13 HG21 ILE 13 19.606 2.855 -7.084
99 HG22 ILE 13 HG22 ILE 13 19.299 2.817 -8.820
100 HG23 ILE 13 HG23 ILE 13 18.131 3.570 -7.734
101 HD11 ILE 13 HD11 ILE 13 17.280 0.295 -10.796
102 HD12 ILE 13 HD12 ILE 13 16.655 1.620 -9.814
103 HD13 ILE 13 HD13 ILE 13 18.179 1.809 -10.682
Start of MODEL 14
1 H1 SER 1 H SER 1 1.699 -1.983 -2.742
2 HA SER 1 HA SER 1 1.865 0.276 -3.097
3 HB2 SER 1 HB2 SER 1 1.456 1.766 -0.964
4 HB3 SER 1 HB3 SER 1 0.100 0.982 -1.772
5 HG SER 1 HG SER 1 0.327 0.762 0.625
6 H LYS 2 H LYS 2 4.126 -0.752 -3.180
7 HA LYS 2 HA LYS 2 5.919 -0.083 -1.034
8 HB2 LYS 2 HB2 LYS 2 6.027 -1.600 -3.507
9 HB3 LYS 2 HB3 LYS 2 7.453 -0.591 -3.310
10 HG2 LYS 2 HG2 LYS 2 6.422 -2.598 -1.315
11 HG3 LYS 2 HG3 LYS 2 7.806 -2.813 -2.390
12 HD2 LYS 2 HD2 LYS 2 8.815 -0.771 -1.304
13 HD3 LYS 2 HD3 LYS 2 7.518 -0.864 -0.111
14 HE2 LYS 2 HE2 LYS 2 8.420 -3.414 -0.073
15 HE3 LYS 2 HE3 LYS 2 9.909 -2.550 -0.455
16 HZ1 LYS 2 HZ1 LYS 2 8.161 -1.747 1.793
17 HZ2 LYS 2 HZ2 LYS 2 9.386 -2.899 1.977
18 HZ3 LYS 2 HZ3 LYS 2 9.773 -1.318 1.515
19 H TRP 3 H TRP 3 8.010 1.130 -1.666
20 HA TRP 3 HA TRP 3 7.324 3.808 -2.210
21 HB2 TRP 3 HB2 TRP 3 9.457 4.292 -1.588
22 HB3 TRP 3 HB3 TRP 3 9.437 2.623 -1.023
23 HD1 TRP 3 HD1 TRP 3 11.639 4.802 -2.798
24 HE1 TRP 3 HE1 TRP 3 13.232 3.527 -4.367
25 HE3 TRP 3 HE3 TRP 3 9.201 0.311 -2.955
26 HZ2 TRP 3 HZ2 TRP 3 13.428 0.958 -5.520
27 HZ3 TRP 3 HZ3 TRP 3 10.157 -1.503 -4.315
28 HH2 TRP 3 HH2 TRP 3 12.227 -1.184 -5.571
29 H ILE 4 H ILE 4 7.999 5.163 -3.956
30 HA ILE 4 HA ILE 4 8.322 3.706 -6.499
31 HB ILE 4 HB ILE 4 7.125 6.443 -6.412
32 HG12 ILE 4 HG12 ILE 4 4.875 5.057 -6.433
33 HG13 ILE 4 HG13 ILE 4 5.836 3.892 -5.529
34 HG21 ILE 4 HG21 ILE 4 6.450 5.995 -8.528
35 HG22 ILE 4 HG22 ILE 4 7.802 4.865 -8.461
36 HG23 ILE 4 HG23 ILE 4 6.157 4.289 -8.191
37 HD11 ILE 4 HD11 ILE 4 4.666 6.403 -4.679
38 HD12 ILE 4 HD12 ILE 4 5.237 5.035 -3.725
39 HD13 ILE 4 HD13 ILE 4 6.374 6.270 -4.261
40 H CYS 5 H CYS 5 10.154 5.216 -4.447
41 HA CYS 5 HA CYS 5 12.112 6.368 -4.545
42 HB2 CYS 5 HB2 CYS 5 12.713 4.814 -6.315
43 HB3 CYS 5 HB3 CYS 5 11.846 5.785 -7.501
44 H ALA 6 H ALA 6 11.825 8.421 -3.950
45 HA ALA 6 HA ALA 6 10.409 10.280 -5.686
46 HB1 ALA 6 HB1 ALA 6 11.564 11.404 -3.264
47 HB2 ALA 6 HB2 ALA 6 9.891 11.388 -3.820
48 HB3 ALA 6 HB3 ALA 6 10.544 10.000 -2.951
49 H ASN 7 H ASN 7 13.651 9.601 -4.568
50 HA ASN 7 HA ASN 7 14.903 10.949 -6.669
51 HB2 ASN 7 HB2 ASN 7 14.014 12.734 -4.697
52 HB3 ASN 7 HB3 ASN 7 15.744 12.559 -4.416
53 HD21 ASN 7 HD21 ASN 7 13.460 14.256 -6.061
54 HD22 ASN 7 HD22 ASN 7 14.437 14.888 -7.339
55 H ARG 8 H ARG 8 17.334 11.580 -5.784
56 HA ARG 8 HA ARG 8 18.606 9.169 -5.344
57 HB2 ARG 8 HB2 ARG 8 19.695 11.828 -4.420
58 HB3 ARG 8 HB3 ARG 8 20.605 10.416 -4.940
59 HG2 ARG 8 HG2 ARG 8 18.883 11.147 -7.062
60 HG3 ARG 8 HG3 ARG 8 19.684 12.610 -6.486
61 HD2 ARG 8 HD2 ARG 8 20.974 11.517 -8.252
62 HD3 ARG 8 HD3 ARG 8 21.854 11.532 -6.724
63 HE ARG 8 HE ARG 8 20.356 9.124 -7.135
64 HH11 ARG 8 HH11 ARG 8 23.345 10.766 -7.834
65 HH12 ARG 8 HH12 ARG 8 24.240 9.304 -8.088
66 HH21 ARG 8 HH21 ARG 8 21.523 7.192 -7.468
67 HH22 ARG 8 HH22 ARG 8 23.202 7.272 -7.881
68 H SER 9 H SER 9 17.252 11.409 -3.032
69 HA SER 9 HA SER 9 18.525 10.474 -0.709
70 HB2 SER 9 HB2 SER 9 17.029 12.567 -1.061
71 HB3 SER 9 HB3 SER 9 15.690 11.478 -0.701
72 HG SER 9 HG SER 9 17.039 10.930 1.237
73 H VAL 10 H VAL 10 15.755 9.301 -2.499
74 HA VAL 10 HA VAL 10 15.719 6.922 -0.779
75 HB VAL 10 HB VAL 10 13.185 6.883 -1.121
76 HG11 VAL 10 HG11 VAL 10 12.935 7.688 0.977
77 HG12 VAL 10 HG12 VAL 10 14.698 7.710 0.936
78 HG13 VAL 10 HG13 VAL 10 13.790 9.189 0.621
79 HG21 VAL 10 HG21 VAL 10 12.099 8.618 -2.032
80 HG22 VAL 10 HG22 VAL 10 13.100 9.803 -1.192
81 HG23 VAL 10 HG23 VAL 10 13.670 9.073 -2.692
82 H CYS 11 H CYS 11 16.923 5.952 -2.504
83 HA CYS 11 HA CYS 11 15.229 4.707 -4.458
84 HB2 CYS 11 HB2 CYS 11 16.264 7.072 -5.296
85 HB3 CYS 11 HB3 CYS 11 17.548 5.970 -5.782
86 HA PRO 12 HA PRO 12 18.806 2.206 -2.891
87 HB2 PRO 12 HB2 PRO 12 17.307 0.029 -2.271
88 HB3 PRO 12 HB3 PRO 12 17.550 1.378 -1.155
89 HG2 PRO 12 HG2 PRO 12 15.222 0.794 -2.945
90 HG3 PRO 12 HG3 PRO 12 15.227 1.351 -1.261
91 HD2 PRO 12 HD2 PRO 12 14.817 3.027 -3.349
92 HD3 PRO 12 HD3 PRO 12 15.626 3.542 -1.855
93 H ILE 13 H ILE 13 18.842 2.545 -5.451
94 HA ILE 13 HA ILE 13 18.846 -0.153 -6.556
95 HB ILE 13 HB ILE 13 17.803 0.606 -8.672
96 HG12 ILE 13 HG12 ILE 13 16.460 2.906 -7.458
97 HG13 ILE 13 HG13 ILE 13 18.193 3.142 -7.654
98 HG21 ILE 13 HG21 ILE 13 16.574 -0.495 -6.710
99 HG22 ILE 13 HG22 ILE 13 15.882 1.102 -6.423
100 HG23 ILE 13 HG23 ILE 13 15.602 0.283 -7.960
101 HD11 ILE 13 HD11 ILE 13 17.863 3.636 -9.778
102 HD12 ILE 13 HD12 ILE 13 17.220 2.017 -10.052
103 HD13 ILE 13 HD13 ILE 13 16.135 3.331 -9.596
Start of MODEL 15
1 H1 SER 1 H SER 1 0.875 -1.337 -0.743
2 HA SER 1 HA SER 1 1.858 -0.681 -2.712
3 HB2 SER 1 HB2 SER 1 0.541 1.784 -1.852
4 HB3 SER 1 HB3 SER 1 2.033 2.081 -2.744
5 HG SER 1 HG SER 1 -0.287 0.708 -3.580
6 H LYS 2 H LYS 2 3.988 -0.651 -3.103
7 HA LYS 2 HA LYS 2 5.783 -0.044 -0.932
8 HB2 LYS 2 HB2 LYS 2 5.873 -1.557 -3.409
9 HB3 LYS 2 HB3 LYS 2 7.319 -0.579 -3.199
10 HG2 LYS 2 HG2 LYS 2 6.232 -2.570 -1.217
11 HG3 LYS 2 HG3 LYS 2 7.618 -2.811 -2.284
12 HD2 LYS 2 HD2 LYS 2 8.663 -0.794 -1.186
13 HD3 LYS 2 HD3 LYS 2 7.358 -0.865 -0.000
14 HE2 LYS 2 HE2 LYS 2 8.545 -3.461 -0.339
15 HE3 LYS 2 HE3 LYS 2 9.787 -2.267 0.034
16 HZ1 LYS 2 HZ1 LYS 2 9.112 -2.881 2.116
17 HZ2 LYS 2 HZ2 LYS 2 8.083 -1.564 1.853
18 HZ3 LYS 2 HZ3 LYS 2 7.504 -3.142 1.658
19 H TRP 3 H TRP 3 7.898 1.131 -1.547
20 HA TRP 3 HA TRP 3 7.268 3.821 -2.092
21 HB2 TRP 3 HB2 TRP 3 9.405 4.264 -1.456
22 HB3 TRP 3 HB3 TRP 3 9.350 2.596 -0.894
23 HD1 TRP 3 HD1 TRP 3 11.605 4.732 -2.651
24 HE1 TRP 3 HE1 TRP 3 13.183 3.428 -4.212
25 HE3 TRP 3 HE3 TRP 3 9.081 0.290 -2.829
26 HZ2 TRP 3 HZ2 TRP 3 13.337 0.857 -5.366
27 HZ3 TRP 3 HZ3 TRP 3 10.011 -1.541 -4.185
28 HH2 TRP 3 HH2 TRP 3 12.094 -1.261 -5.427
29 H ILE 4 H ILE 4 7.979 5.166 -3.833
30 HA ILE 4 HA ILE 4 8.291 3.705 -6.375
31 HB ILE 4 HB ILE 4 7.146 6.465 -6.292
32 HG12 ILE 4 HG12 ILE 4 4.870 5.123 -6.330
33 HG13 ILE 4 HG13 ILE 4 5.803 3.939 -5.421
34 HG21 ILE 4 HG21 ILE 4 6.193 4.296 -8.079
35 HG22 ILE 4 HG22 ILE 4 6.423 6.014 -8.404
36 HG23 ILE 4 HG23 ILE 4 7.815 4.932 -8.349
37 HD11 ILE 4 HD11 ILE 4 5.210 5.090 -3.620
38 HD12 ILE 4 HD12 ILE 4 6.380 6.301 -4.144
39 HD13 ILE 4 HD13 ILE 4 4.679 6.474 -4.577
40 H CYS 5 H CYS 5 10.139 5.176 -4.310
41 HA CYS 5 HA CYS 5 12.120 6.290 -4.394
42 HB2 CYS 5 HB2 CYS 5 12.701 4.728 -6.163
43 HB3 CYS 5 HB3 CYS 5 11.861 5.718 -7.353
44 H ALA 6 H ALA 6 11.868 8.347 -3.797
45 HA ALA 6 HA ALA 6 10.500 10.236 -5.538
46 HB1 ALA 6 HB1 ALA 6 10.616 9.949 -2.802
47 HB2 ALA 6 HB2 ALA 6 11.658 11.338 -3.109
48 HB3 ALA 6 HB3 ALA 6 9.988 11.347 -3.673
49 H ASN 7 H ASN 7 13.721 9.492 -4.401
50 HA ASN 7 HA ASN 7 15.012 10.820 -6.490
51 HB2 ASN 7 HB2 ASN 7 14.145 12.619 -4.521
52 HB3 ASN 7 HB3 ASN 7 15.869 12.410 -4.229
53 HD21 ASN 7 HD21 ASN 7 13.631 14.153 -5.887
54 HD22 ASN 7 HD22 ASN 7 14.628 14.768 -7.157
55 H ARG 8 H ARG 8 17.450 11.403 -5.588
56 HA ARG 8 HA ARG 8 18.671 8.967 -5.144
57 HB2 ARG 8 HB2 ARG 8 19.806 11.602 -4.209
58 HB3 ARG 8 HB3 ARG 8 20.691 10.173 -4.725
59 HG2 ARG 8 HG2 ARG 8 18.998 10.941 -6.857
60 HG3 ARG 8 HG3 ARG 8 19.822 12.388 -6.273
61 HD2 ARG 8 HD2 ARG 8 21.904 10.736 -6.299
62 HD3 ARG 8 HD3 ARG 8 20.929 9.940 -7.535
63 HE ARG 8 HE ARG 8 21.172 12.762 -7.954
64 HH11 ARG 8 HH11 ARG 8 22.727 9.683 -8.423
65 HH12 ARG 8 HH12 ARG 8 23.656 10.213 -9.786
66 HH21 ARG 8 HH21 ARG 8 22.390 13.471 -9.748
67 HH22 ARG 8 HH22 ARG 8 23.464 12.368 -10.538
68 H SER 9 H SER 9 17.345 11.228 -2.837
69 HA SER 9 HA SER 9 18.585 10.265 -0.508
70 HB2 SER 9 HB2 SER 9 17.138 12.389 -0.860
71 HB3 SER 9 HB3 SER 9 15.770 11.327 -0.524
72 HG SER 9 HG SER 9 16.897 12.513 1.296
73 H VAL 10 H VAL 10 15.804 9.149 -2.318
74 HA VAL 10 HA VAL 10 15.711 6.768 -0.602
75 HB VAL 10 HB VAL 10 13.179 6.779 -0.961
76 HG11 VAL 10 HG11 VAL 10 14.691 7.568 1.108
77 HG12 VAL 10 HG12 VAL 10 13.823 9.070 0.788
78 HG13 VAL 10 HG13 VAL 10 12.927 7.591 1.136
79 HG21 VAL 10 HG21 VAL 10 13.717 8.962 -2.525
80 HG22 VAL 10 HG22 VAL 10 12.133 8.536 -1.876
81 HG23 VAL 10 HG23 VAL 10 13.150 9.700 -1.027
82 H CYS 11 H CYS 11 16.908 5.779 -2.320
83 HA CYS 11 HA CYS 11 15.202 4.569 -4.288
84 HB2 CYS 11 HB2 CYS 11 16.289 6.915 -5.116
85 HB3 CYS 11 HB3 CYS 11 17.555 5.789 -5.594
86 HA PRO 12 HA PRO 12 18.721 1.997 -2.702
87 HB2 PRO 12 HB2 PRO 12 17.176 -0.152 -2.094
88 HB3 PRO 12 HB3 PRO 12 17.437 1.191 -0.975
89 HG2 PRO 12 HG2 PRO 12 15.111 0.655 -2.780
90 HG3 PRO 12 HG3 PRO 12 15.115 1.210 -1.096
91 HD2 PRO 12 HD2 PRO 12 14.751 2.895 -3.184
92 HD3 PRO 12 HD3 PRO 12 15.561 3.393 -1.684
93 H ILE 13 H ILE 13 18.779 2.339 -5.262
94 HA ILE 13 HA ILE 13 18.557 -0.358 -6.398
95 HB ILE 13 HB ILE 13 16.647 0.984 -7.221
96 HG12 ILE 13 HG12 ILE 13 18.491 0.655 -9.555
97 HG13 ILE 13 HG13 ILE 13 18.069 -0.758 -8.594
98 HG21 ILE 13 HG21 ILE 13 16.856 3.092 -7.892
99 HG22 ILE 13 HG22 ILE 13 18.538 3.029 -7.366
100 HG23 ILE 13 HG23 ILE 13 18.123 2.661 -9.040
101 HD11 ILE 13 HD11 ILE 13 15.637 0.436 -9.056
102 HD12 ILE 13 HD12 ILE 13 16.514 0.687 -10.566
103 HD13 ILE 13 HD13 ILE 13 16.306 -0.944 -9.927
Start of MODEL 16
1 H1 SER 1 H SER 1 0.819 0.171 -0.240
2 HA SER 1 HA SER 1 2.290 -0.801 -1.695
3 HB2 SER 1 HB2 SER 1 2.217 0.146 -3.791
4 HB3 SER 1 HB3 SER 1 0.929 1.066 -3.013
5 HG SER 1 HG SER 1 2.098 2.809 -3.163
6 H LYS 2 H LYS 2 4.475 -0.936 -2.429
7 HA LYS 2 HA LYS 2 6.372 -0.001 -0.600
8 HB2 LYS 2 HB2 LYS 2 6.376 -1.543 -3.081
9 HB3 LYS 2 HB3 LYS 2 7.832 -0.578 -2.877
10 HG2 LYS 2 HG2 LYS 2 8.451 -2.521 -1.847
11 HG3 LYS 2 HG3 LYS 2 7.820 -1.609 -0.474
12 HD2 LYS 2 HD2 LYS 2 5.744 -2.791 -0.552
13 HD3 LYS 2 HD3 LYS 2 6.176 -3.558 -2.083
14 HE2 LYS 2 HE2 LYS 2 7.518 -5.091 -1.089
15 HE3 LYS 2 HE3 LYS 2 8.038 -3.976 0.174
16 HZ1 LYS 2 HZ1 LYS 2 5.514 -5.522 0.048
17 HZ2 LYS 2 HZ2 LYS 2 6.733 -5.617 1.217
18 HZ3 LYS 2 HZ3 LYS 2 5.749 -4.244 1.131
19 H TRP 3 H TRP 3 8.406 1.220 -1.329
20 HA TRP 3 HA TRP 3 7.674 3.868 -1.952
21 HB2 TRP 3 HB2 TRP 3 9.815 4.398 -1.404
22 HB3 TRP 3 HB3 TRP 3 9.831 2.751 -0.779
23 HD1 TRP 3 HD1 TRP 3 11.959 4.888 -2.690
24 HE1 TRP 3 HE1 TRP 3 13.525 3.575 -4.254
25 HE3 TRP 3 HE3 TRP 3 9.575 0.366 -2.616
26 HZ2 TRP 3 HZ2 TRP 3 13.724 0.967 -5.316
27 HZ3 TRP 3 HZ3 TRP 3 10.518 -1.486 -3.934
28 HH2 TRP 3 HH2 TRP 3 12.549 -1.189 -5.255
29 H ILE 4 H ILE 4 8.286 5.164 -3.765
30 HA ILE 4 HA ILE 4 8.562 3.616 -6.259
31 HB ILE 4 HB ILE 4 7.332 6.340 -6.243
32 HG12 ILE 4 HG12 ILE 4 5.100 4.928 -6.154
33 HG13 ILE 4 HG13 ILE 4 6.100 3.809 -5.232
34 HG21 ILE 4 HG21 ILE 4 7.535 4.026 -8.045
35 HG22 ILE 4 HG22 ILE 4 5.968 4.836 -8.028
36 HG23 ILE 4 HG23 ILE 4 7.429 5.748 -8.412
37 HD11 ILE 4 HD11 ILE 4 4.921 6.338 -4.447
38 HD12 ILE 4 HD12 ILE 4 5.531 5.012 -3.457
39 HD13 ILE 4 HD13 ILE 4 6.640 6.239 -4.068
40 H CYS 5 H CYS 5 10.427 5.223 -4.314
41 HA CYS 5 HA CYS 5 12.367 6.394 -4.506
42 HB2 CYS 5 HB2 CYS 5 12.941 4.783 -6.233
43 HB3 CYS 5 HB3 CYS 5 12.032 5.699 -7.431
44 H ALA 6 H ALA 6 12.068 8.464 -3.980
45 HA ALA 6 HA ALA 6 10.585 10.240 -5.745
46 HB1 ALA 6 HB1 ALA 6 10.100 11.411 -3.909
47 HB2 ALA 6 HB2 ALA 6 10.793 10.064 -3.006
48 HB3 ALA 6 HB3 ALA 6 11.787 11.467 -3.397
49 H ASN 7 H ASN 7 13.863 9.640 -4.690
50 HA ASN 7 HA ASN 7 15.042 10.926 -6.870
51 HB2 ASN 7 HB2 ASN 7 14.183 12.772 -4.941
52 HB3 ASN 7 HB3 ASN 7 15.921 12.627 -4.700
53 HD21 ASN 7 HD21 ASN 7 13.575 14.235 -6.345
54 HD22 ASN 7 HD22 ASN 7 14.510 14.831 -7.670
55 H ARG 8 H ARG 8 17.488 11.617 -6.073
56 HA ARG 8 HA ARG 8 18.801 9.238 -5.580
57 HB2 ARG 8 HB2 ARG 8 19.880 11.941 -4.783
58 HB3 ARG 8 HB3 ARG 8 20.794 10.521 -5.275
59 HG2 ARG 8 HG2 ARG 8 19.008 11.155 -7.376
60 HG3 ARG 8 HG3 ARG 8 19.806 12.647 -6.875
61 HD2 ARG 8 HD2 ARG 8 21.189 10.067 -7.602
62 HD3 ARG 8 HD3 ARG 8 21.053 11.486 -8.640
63 HE ARG 8 HE ARG 8 22.868 11.111 -6.444
64 HH11 ARG 8 HH11 ARG 8 21.197 13.450 -8.409
65 HH12 ARG 8 HH12 ARG 8 22.342 14.715 -8.107
66 HH21 ARG 8 HH21 ARG 8 24.382 12.768 -6.040
67 HH22 ARG 8 HH22 ARG 8 24.154 14.326 -6.760
68 H SER 9 H SER 9 17.481 11.546 -3.316
69 HA SER 9 HA SER 9 18.826 10.711 -0.996
70 HB2 SER 9 HB2 SER 9 17.295 12.773 -1.381
71 HB3 SER 9 HB3 SER 9 15.979 11.681 -0.950
72 HG SER 9 HG SER 9 17.741 12.926 0.655
73 H VAL 10 H VAL 10 16.024 9.441 -2.666
74 HA VAL 10 HA VAL 10 16.064 7.126 -0.861
75 HB VAL 10 HB VAL 10 13.522 7.044 -1.136
76 HG11 VAL 10 HG11 VAL 10 15.079 7.968 0.849
77 HG12 VAL 10 HG12 VAL 10 14.138 9.419 0.506
78 HG13 VAL 10 HG13 VAL 10 13.318 7.919 0.939
79 HG21 VAL 10 HG21 VAL 10 12.390 8.733 -2.077
80 HG22 VAL 10 HG22 VAL 10 13.400 9.959 -1.311
81 HG23 VAL 10 HG23 VAL 10 13.937 9.179 -2.798
82 H CYS 11 H CYS 11 17.237 6.110 -2.581
83 HA CYS 11 HA CYS 11 15.509 4.771 -4.443
84 HB2 CYS 11 HB2 CYS 11 16.492 7.118 -5.393
85 HB3 CYS 11 HB3 CYS 11 17.776 6.012 -5.874
86 HA PRO 12 HA PRO 12 19.157 2.372 -2.881
87 HB2 PRO 12 HB2 PRO 12 17.703 0.199 -2.151
88 HB3 PRO 12 HB3 PRO 12 17.953 1.588 -1.088
89 HG2 PRO 12 HG2 PRO 12 15.592 0.914 -2.800
90 HG3 PRO 12 HG3 PRO 12 15.629 1.528 -1.137
91 HD2 PRO 12 HD2 PRO 12 15.147 3.125 -3.271
92 HD3 PRO 12 HD3 PRO 12 15.984 3.703 -1.815
93 H ILE 13 H ILE 13 16.497 1.667 -5.041
94 HA ILE 13 HA ILE 13 17.752 -0.646 -6.212
95 HB ILE 13 HB ILE 13 15.277 -0.360 -6.121
96 HG12 ILE 13 HG12 ILE 13 16.242 -0.559 -8.973
97 HG13 ILE 13 HG13 ILE 13 16.534 -1.827 -7.787
98 HG21 ILE 13 HG21 ILE 13 14.165 1.124 -7.658
99 HG22 ILE 13 HG22 ILE 13 15.269 2.058 -6.649
100 HG23 ILE 13 HG23 ILE 13 15.711 1.665 -8.311
101 HD11 ILE 13 HD11 ILE 13 13.945 -0.916 -8.968
102 HD12 ILE 13 HD12 ILE 13 14.637 -2.537 -8.908
103 HD13 ILE 13 HD13 ILE 13 13.993 -1.799 -7.442
Start of MODEL 17
1 H1 SER 1 H SER 1 2.994 0.396 -4.179
2 HA SER 1 HA SER 1 1.736 0.997 -1.808
3 HB2 SER 1 HB2 SER 1 1.051 -1.450 -1.938
4 HB3 SER 1 HB3 SER 1 2.749 -1.846 -1.671
5 HG SER 1 HG SER 1 1.885 -1.800 0.328
6 H LYS 2 H LYS 2 4.519 -0.916 -2.934
7 HA LYS 2 HA LYS 2 6.329 -0.046 -0.973
8 HB2 LYS 2 HB2 LYS 2 6.449 -1.507 -3.500
9 HB3 LYS 2 HB3 LYS 2 7.887 -0.538 -3.206
10 HG2 LYS 2 HG2 LYS 2 8.551 -2.406 -2.136
11 HG3 LYS 2 HG3 LYS 2 7.649 -1.681 -0.803
12 HD2 LYS 2 HD2 LYS 2 5.722 -3.056 -2.237
13 HD3 LYS 2 HD3 LYS 2 7.129 -4.120 -2.295
14 HE2 LYS 2 HE2 LYS 2 6.476 -4.823 -0.277
15 HE3 LYS 2 HE3 LYS 2 7.103 -3.288 0.322
16 HZ1 LYS 2 HZ1 LYS 2 5.058 -2.537 0.740
17 HZ2 LYS 2 HZ2 LYS 2 4.422 -3.125 -0.714
18 HZ3 LYS 2 HZ3 LYS 2 4.565 -4.152 0.623
19 H TRP 3 H TRP 3 8.382 1.211 -1.578
20 HA TRP 3 HA TRP 3 7.654 3.873 -2.145
21 HB2 TRP 3 HB2 TRP 3 9.767 4.400 -1.493
22 HB3 TRP 3 HB3 TRP 3 9.770 2.734 -0.922
23 HD1 TRP 3 HD1 TRP 3 11.956 4.947 -2.673
24 HE1 TRP 3 HE1 TRP 3 13.597 3.696 -4.213
25 HE3 TRP 3 HE3 TRP 3 9.609 0.409 -2.844
26 HZ2 TRP 3 HZ2 TRP 3 13.860 1.126 -5.350
27 HZ3 TRP 3 HZ3 TRP 3 10.620 -1.393 -4.181
28 HH2 TRP 3 HH2 TRP 3 12.701 -1.039 -5.408
29 H ILE 4 H ILE 4 8.329 5.232 -3.889
30 HA ILE 4 HA ILE 4 8.718 3.769 -6.418
31 HB ILE 4 HB ILE 4 7.467 6.482 -6.364
32 HG12 ILE 4 HG12 ILE 4 5.245 5.053 -6.412
33 HG13 ILE 4 HG13 ILE 4 6.215 3.912 -5.488
34 HG21 ILE 4 HG21 ILE 4 7.902 5.789 -8.533
35 HG22 ILE 4 HG22 ILE 4 7.491 4.110 -8.186
36 HG23 ILE 4 HG23 ILE 4 6.216 5.322 -8.308
37 HD11 ILE 4 HD11 ILE 4 4.983 6.403 -4.668
38 HD12 ILE 4 HD12 ILE 4 5.567 5.051 -3.698
39 HD13 ILE 4 HD13 ILE 4 6.687 6.307 -4.225
40 H CYS 5 H CYS 5 10.490 5.324 -4.347
41 HA CYS 5 HA CYS 5 12.426 6.514 -4.421
42 HB2 CYS 5 HB2 CYS 5 13.084 4.963 -6.174
43 HB3 CYS 5 HB3 CYS 5 12.217 5.911 -7.378
44 H ALA 6 H ALA 6 12.089 8.564 -3.842
45 HA ALA 6 HA ALA 6 10.665 10.386 -5.609
46 HB1 ALA 6 HB1 ALA 6 10.097 11.495 -3.758
47 HB2 ALA 6 HB2 ALA 6 10.760 10.122 -2.872
48 HB3 ALA 6 HB3 ALA 6 11.761 11.543 -3.174
49 H ASN 7 H ASN 7 13.902 9.774 -4.440
50 HA ASN 7 HA ASN 7 15.159 11.138 -6.527
51 HB2 ASN 7 HB2 ASN 7 14.207 12.914 -4.576
52 HB3 ASN 7 HB3 ASN 7 15.935 12.773 -4.269
53 HD21 ASN 7 HD21 ASN 7 13.645 14.420 -5.955
54 HD22 ASN 7 HD22 ASN 7 14.629 15.065 -7.221
55 H ARG 8 H ARG 8 17.565 11.819 -5.609
56 HA ARG 8 HA ARG 8 18.875 9.434 -5.139
57 HB2 ARG 8 HB2 ARG 8 19.899 12.117 -4.211
58 HB3 ARG 8 HB3 ARG 8 20.843 10.720 -4.711
59 HG2 ARG 8 HG2 ARG 8 19.139 11.411 -6.861
60 HG3 ARG 8 HG3 ARG 8 19.907 12.890 -6.281
61 HD2 ARG 8 HD2 ARG 8 22.091 11.919 -6.535
62 HD3 ARG 8 HD3 ARG 8 21.392 10.350 -6.934
63 HE ARG 8 HE ARG 8 20.443 12.227 -8.775
64 HH11 ARG 8 HH11 ARG 8 23.430 10.686 -7.865
65 HH12 ARG 8 HH12 ARG 8 24.118 10.790 -9.452
66 HH21 ARG 8 HH21 ARG 8 21.338 12.369 -10.868
67 HH22 ARG 8 HH22 ARG 8 22.928 11.748 -11.159
68 H SER 9 H SER 9 17.446 11.659 -2.857
69 HA SER 9 HA SER 9 18.702 10.757 -0.512
70 HB2 SER 9 HB2 SER 9 17.173 12.820 -0.892
71 HB3 SER 9 HB3 SER 9 15.847 11.707 -0.554
72 HG SER 9 HG SER 9 16.534 11.477 1.484
73 H VAL 10 H VAL 10 15.980 9.524 -2.336
74 HA VAL 10 HA VAL 10 15.965 7.151 -0.606
75 HB VAL 10 HB VAL 10 13.437 7.062 -0.989
76 HG11 VAL 10 HG11 VAL 10 13.140 7.868 1.103
77 HG12 VAL 10 HG12 VAL 10 14.903 7.927 1.088
78 HG13 VAL 10 HG13 VAL 10 13.968 9.385 0.753
79 HG21 VAL 10 HG21 VAL 10 12.332 8.773 -1.920
80 HG22 VAL 10 HG22 VAL 10 13.300 9.980 -1.074
81 HG23 VAL 10 HG23 VAL 10 13.903 9.252 -2.563
82 H CYS 11 H CYS 11 17.216 6.200 -2.308
83 HA CYS 11 HA CYS 11 15.576 4.911 -4.282
84 HB2 CYS 11 HB2 CYS 11 16.579 7.294 -5.115
85 HB3 CYS 11 HB3 CYS 11 17.890 6.213 -5.578
86 HA PRO 12 HA PRO 12 19.177 2.487 -2.650
87 HB2 PRO 12 HB2 PRO 12 17.713 0.281 -2.051
88 HB3 PRO 12 HB3 PRO 12 17.908 1.637 -0.934
89 HG2 PRO 12 HG2 PRO 12 15.625 1.002 -2.763
90 HG3 PRO 12 HG3 PRO 12 15.588 1.563 -1.081
91 HD2 PRO 12 HD2 PRO 12 15.181 3.225 -3.180
92 HD3 PRO 12 HD3 PRO 12 15.953 3.760 -1.674
93 H ILE 13 H ILE 13 16.615 1.836 -4.940
94 HA ILE 13 HA ILE 13 17.935 -0.430 -6.132
95 HB ILE 13 HB ILE 13 15.457 -0.164 -6.136
96 HG12 ILE 13 HG12 ILE 13 16.176 -0.212 -9.013
97 HG13 ILE 13 HG13 ILE 13 17.037 -1.343 -7.975
98 HG21 ILE 13 HG21 ILE 13 15.889 1.879 -8.301
99 HG22 ILE 13 HG22 ILE 13 14.367 1.390 -7.555
100 HG23 ILE 13 HG23 ILE 13 15.553 2.306 -6.623
101 HD11 ILE 13 HD11 ILE 13 15.258 -2.613 -8.623
102 HD12 ILE 13 HD12 ILE 13 14.626 -1.914 -7.132
103 HD13 ILE 13 HD13 ILE 13 14.156 -1.238 -8.691
Start of MODEL 18
1 H1 SER 1 H SER 1 1.422 -1.229 -0.244
2 HA SER 1 HA SER 1 2.653 -1.209 -2.157
3 HB2 SER 1 HB2 SER 1 1.425 0.309 -3.333
4 HB3 SER 1 HB3 SER 1 1.488 1.513 -2.047
5 HG SER 1 HG SER 1 3.016 2.427 -3.140
6 H LYS 2 H LYS 2 4.783 -0.998 -2.801
7 HA LYS 2 HA LYS 2 6.625 -0.202 -0.759
8 HB2 LYS 2 HB2 LYS 2 6.721 -1.664 -3.288
9 HB3 LYS 2 HB3 LYS 2 8.135 -0.651 -3.030
10 HG2 LYS 2 HG2 LYS 2 8.925 -2.414 -1.910
11 HG3 LYS 2 HG3 LYS 2 7.886 -1.842 -0.602
12 HD2 LYS 2 HD2 LYS 2 6.651 -3.598 -2.648
13 HD3 LYS 2 HD3 LYS 2 7.791 -4.344 -1.526
14 HE2 LYS 2 HE2 LYS 2 6.497 -3.718 0.351
15 HE3 LYS 2 HE3 LYS 2 5.512 -2.611 -0.605
16 HZ1 LYS 2 HZ1 LYS 2 5.544 -5.508 -1.178
17 HZ2 LYS 2 HZ2 LYS 2 4.526 -4.865 0.011
18 HZ3 LYS 2 HZ3 LYS 2 4.374 -4.359 -1.596
19 H TRP 3 H TRP 3 8.612 1.125 -1.426
20 HA TRP 3 HA TRP 3 7.775 3.756 -1.985
21 HB2 TRP 3 HB2 TRP 3 9.885 4.361 -1.393
22 HB3 TRP 3 HB3 TRP 3 9.963 2.699 -0.814
23 HD1 TRP 3 HD1 TRP 3 12.021 4.978 -2.636
24 HE1 TRP 3 HE1 TRP 3 13.662 3.777 -4.214
25 HE3 TRP 3 HE3 TRP 3 9.832 0.359 -2.721
26 HZ2 TRP 3 HZ2 TRP 3 13.985 1.211 -5.346
27 HZ3 TRP 3 HZ3 TRP 3 10.869 -1.413 -4.077
28 HH2 TRP 3 HH2 TRP 3 12.902 -0.993 -5.362
29 H ILE 4 H ILE 4 8.355 5.129 -3.752
30 HA ILE 4 HA ILE 4 8.727 3.666 -6.285
31 HB ILE 4 HB ILE 4 7.383 6.334 -6.209
32 HG12 ILE 4 HG12 ILE 4 5.212 4.827 -6.190
33 HG13 ILE 4 HG13 ILE 4 6.246 3.726 -5.287
34 HG21 ILE 4 HG21 ILE 4 7.444 3.954 -8.021
35 HG22 ILE 4 HG22 ILE 4 6.120 5.115 -8.112
36 HG23 ILE 4 HG23 ILE 4 7.779 5.647 -8.386
37 HD11 ILE 4 HD11 ILE 4 6.669 6.141 -4.047
38 HD12 ILE 4 HD12 ILE 4 4.951 6.178 -4.446
39 HD13 ILE 4 HD13 ILE 4 5.605 4.851 -3.486
40 H CYS 5 H CYS 5 10.498 5.294 -4.270
41 HA CYS 5 HA CYS 5 12.388 6.550 -4.403
42 HB2 CYS 5 HB2 CYS 5 13.051 5.015 -6.166
43 HB3 CYS 5 HB3 CYS 5 12.120 5.926 -7.350
44 H ALA 6 H ALA 6 11.996 8.590 -3.823
45 HA ALA 6 HA ALA 6 10.460 10.352 -5.558
46 HB1 ALA 6 HB1 ALA 6 9.903 11.449 -3.696
47 HB2 ALA 6 HB2 ALA 6 10.641 10.106 -2.823
48 HB3 ALA 6 HB3 ALA 6 11.579 11.561 -3.160
49 H ASN 7 H ASN 7 13.747 9.862 -4.475
50 HA ASN 7 HA ASN 7 14.898 11.257 -6.602
51 HB2 ASN 7 HB2 ASN 7 13.936 13.009 -4.635
52 HB3 ASN 7 HB3 ASN 7 15.676 12.932 -4.374
53 HD21 ASN 7 HD21 ASN 7 13.284 14.486 -6.005
54 HD22 ASN 7 HD22 ASN 7 14.209 15.158 -7.300
55 H ARG 8 H ARG 8 17.302 12.028 -5.753
56 HA ARG 8 HA ARG 8 18.709 9.694 -5.307
57 HB2 ARG 8 HB2 ARG 8 19.661 12.417 -4.421
58 HB3 ARG 8 HB3 ARG 8 20.640 11.052 -4.940
59 HG2 ARG 8 HG2 ARG 8 18.856 11.668 -7.046
60 HG3 ARG 8 HG3 ARG 8 19.582 13.178 -6.492
61 HD2 ARG 8 HD2 ARG 8 21.217 12.565 -7.932
62 HD3 ARG 8 HD3 ARG 8 21.769 11.639 -6.537
63 HE ARG 8 HE ARG 8 19.941 10.180 -8.188
64 HH11 ARG 8 HH11 ARG 8 23.268 11.128 -7.796
65 HH12 ARG 8 HH12 ARG 8 23.894 9.779 -8.685
66 HH21 ARG 8 HH21 ARG 8 20.753 8.399 -9.360
67 HH22 ARG 8 HH22 ARG 8 22.462 8.228 -9.575
68 H SER 9 H SER 9 17.262 11.879 -2.998
69 HA SER 9 HA SER 9 18.612 11.036 -0.684
70 HB2 SER 9 HB2 SER 9 17.001 13.041 -1.033
71 HB3 SER 9 HB3 SER 9 15.726 11.884 -0.651
72 HG SER 9 HG SER 9 17.954 12.073 1.041
73 H VAL 10 H VAL 10 15.889 9.697 -2.428
74 HA VAL 10 HA VAL 10 16.004 7.335 -0.687
75 HB VAL 10 HB VAL 10 13.472 7.155 -1.000
76 HG11 VAL 10 HG11 VAL 10 14.962 8.084 1.032
77 HG12 VAL 10 HG12 VAL 10 13.968 9.505 0.716
78 HG13 VAL 10 HG13 VAL 10 13.204 7.961 1.096
79 HG21 VAL 10 HG21 VAL 10 13.817 9.352 -2.595
80 HG22 VAL 10 HG22 VAL 10 12.282 8.820 -1.910
81 HG23 VAL 10 HG23 VAL 10 13.227 10.065 -1.093
82 H CYS 11 H CYS 11 17.240 6.418 -2.419
83 HA CYS 11 HA CYS 11 15.594 5.062 -4.341
84 HB2 CYS 11 HB2 CYS 11 16.488 7.474 -5.212
85 HB3 CYS 11 HB3 CYS 11 17.824 6.438 -5.705
86 HA PRO 12 HA PRO 12 19.321 2.776 -2.797
87 HB2 PRO 12 HB2 PRO 12 17.952 0.523 -2.146
88 HB3 PRO 12 HB3 PRO 12 18.130 1.892 -1.042
89 HG2 PRO 12 HG2 PRO 12 15.821 1.167 -2.804
90 HG3 PRO 12 HG3 PRO 12 15.811 1.736 -1.124
91 HD2 PRO 12 HD2 PRO 12 15.288 3.370 -3.219
92 HD3 PRO 12 HD3 PRO 12 16.082 3.941 -1.737
93 H ILE 13 H ILE 13 16.721 2.022 -5.012
94 HA ILE 13 HA ILE 13 18.086 -0.204 -6.228
95 HB ILE 13 HB ILE 13 15.600 -0.021 -6.164
96 HG12 ILE 13 HG12 ILE 13 16.146 -0.078 -9.059
97 HG13 ILE 13 HG13 ILE 13 17.211 -1.094 -8.093
98 HG21 ILE 13 HG21 ILE 13 15.994 2.094 -8.276
99 HG22 ILE 13 HG22 ILE 13 14.455 1.454 -7.701
100 HG23 ILE 13 HG23 ILE 13 15.476 2.399 -6.618
101 HD11 ILE 13 HD11 ILE 13 14.796 -1.738 -7.054
102 HD12 ILE 13 HD12 ILE 13 14.373 -1.406 -8.734
103 HD13 ILE 13 HD13 ILE 13 15.598 -2.617 -8.356
Start of MODEL 19
1 H1 SER 1 H SER 1 1.406 0.828 -3.705
2 HA SER 1 HA SER 1 1.594 1.126 -1.457
3 HB2 SER 1 HB2 SER 1 0.780 -1.210 -1.436
4 HB3 SER 1 HB3 SER 1 2.448 -1.780 -1.488
5 HG SER 1 HG SER 1 1.272 -1.525 0.652
6 H LYS 2 H LYS 2 4.327 -0.679 -2.805
7 HA LYS 2 HA LYS 2 6.190 0.119 -0.814
8 HB2 LYS 2 HB2 LYS 2 6.232 -1.390 -3.315
9 HB3 LYS 2 HB3 LYS 2 7.691 -0.440 -3.068
10 HG2 LYS 2 HG2 LYS 2 8.285 -2.387 -2.041
11 HG3 LYS 2 HG3 LYS 2 7.600 -1.507 -0.673
12 HD2 LYS 2 HD2 LYS 2 5.385 -2.650 -1.325
13 HD3 LYS 2 HD3 LYS 2 6.398 -3.745 -2.269
14 HE2 LYS 2 HE2 LYS 2 6.903 -3.193 0.642
15 HE3 LYS 2 HE3 LYS 2 5.804 -4.462 0.103
16 HZ1 LYS 2 HZ1 LYS 2 8.498 -4.706 0.442
17 HZ2 LYS 2 HZ2 LYS 2 7.501 -5.784 -0.399
18 HZ3 LYS 2 HZ3 LYS 2 8.328 -4.568 -1.236
19 H TRP 3 H TRP 3 8.248 1.332 -1.488
20 HA TRP 3 HA TRP 3 7.549 3.994 -2.090
21 HB2 TRP 3 HB2 TRP 3 9.683 4.500 -1.492
22 HB3 TRP 3 HB3 TRP 3 9.674 2.845 -0.889
23 HD1 TRP 3 HD1 TRP 3 11.856 4.989 -2.729
24 HE1 TRP 3 HE1 TRP 3 13.443 3.684 -4.278
25 HE3 TRP 3 HE3 TRP 3 9.435 0.486 -2.763
26 HZ2 TRP 3 HZ2 TRP 3 13.642 1.089 -5.371
27 HZ3 TRP 3 HZ3 TRP 3 10.390 -1.356 -4.086
28 HH2 TRP 3 HH2 TRP 3 12.450 -1.058 -5.363
29 H ILE 4 H ILE 4 8.209 5.309 -3.873
30 HA ILE 4 HA ILE 4 8.521 3.791 -6.381
31 HB ILE 4 HB ILE 4 7.315 6.525 -6.354
32 HG12 ILE 4 HG12 ILE 4 5.069 5.131 -6.327
33 HG13 ILE 4 HG13 ILE 4 6.041 3.993 -5.401
34 HG21 ILE 4 HG21 ILE 4 7.797 5.662 -8.504
35 HG22 ILE 4 HG22 ILE 4 7.104 4.090 -8.106
36 HG23 ILE 4 HG23 ILE 4 6.055 5.496 -8.284
37 HD11 ILE 4 HD11 ILE 4 5.448 5.177 -3.621
38 HD12 ILE 4 HD12 ILE 4 6.579 6.403 -4.195
39 HD13 ILE 4 HD13 ILE 4 4.867 6.520 -4.605
40 H CYS 5 H CYS 5 10.360 5.359 -4.378
41 HA CYS 5 HA CYS 5 12.313 6.515 -4.516
42 HB2 CYS 5 HB2 CYS 5 12.909 4.921 -6.251
43 HB3 CYS 5 HB3 CYS 5 12.032 5.860 -7.455
44 H ALA 6 H ALA 6 12.022 8.581 -3.970
45 HA ALA 6 HA ALA 6 10.588 10.392 -5.742
46 HB1 ALA 6 HB1 ALA 6 10.078 11.546 -3.901
47 HB2 ALA 6 HB2 ALA 6 10.738 10.179 -3.003
48 HB3 ALA 6 HB3 ALA 6 11.754 11.578 -3.354
49 H ASN 7 H ASN 7 13.839 9.751 -4.630
50 HA ASN 7 HA ASN 7 15.072 11.054 -6.771
51 HB2 ASN 7 HB2 ASN 7 14.190 12.882 -4.835
52 HB3 ASN 7 HB3 ASN 7 15.922 12.719 -4.562
53 HD21 ASN 7 HD21 ASN 7 13.624 14.371 -6.230
54 HD22 ASN 7 HD22 ASN 7 14.589 14.975 -7.530
55 H ARG 8 H ARG 8 17.507 11.714 -5.917
56 HA ARG 8 HA ARG 8 18.790 9.318 -5.429
57 HB2 ARG 8 HB2 ARG 8 19.876 12.001 -4.576
58 HB3 ARG 8 HB3 ARG 8 20.787 10.580 -5.069
59 HG2 ARG 8 HG2 ARG 8 19.049 11.255 -7.196
60 HG3 ARG 8 HG3 ARG 8 19.847 12.735 -6.659
61 HD2 ARG 8 HD2 ARG 8 21.403 10.215 -7.122
62 HD3 ARG 8 HD3 ARG 8 20.994 11.288 -8.460
63 HE ARG 8 HE ARG 8 22.238 12.632 -6.246
64 HH11 ARG 8 HH11 ARG 8 22.788 10.831 -9.174
65 HH12 ARG 8 HH12 ARG 8 24.368 11.491 -9.438
66 HH21 ARG 8 HH21 ARG 8 24.316 13.509 -6.583
67 HH22 ARG 8 HH22 ARG 8 25.237 13.014 -7.963
68 H SER 9 H SER 9 17.446 11.609 -3.161
69 HA SER 9 HA SER 9 18.738 10.732 -0.826
70 HB2 SER 9 HB2 SER 9 17.230 12.811 -1.217
71 HB3 SER 9 HB3 SER 9 15.899 11.725 -0.821
72 HG SER 9 HG SER 9 17.547 12.977 0.841
73 H VAL 10 H VAL 10 15.959 9.508 -2.568
74 HA VAL 10 HA VAL 10 15.944 7.170 -0.791
75 HB VAL 10 HB VAL 10 13.407 7.114 -1.119
76 HG11 VAL 10 HG11 VAL 10 14.931 7.996 0.909
77 HG12 VAL 10 HG12 VAL 10 14.010 9.461 0.567
78 HG13 VAL 10 HG13 VAL 10 13.169 7.962 0.963
79 HG21 VAL 10 HG21 VAL 10 13.314 10.032 -1.256
80 HG22 VAL 10 HG22 VAL 10 13.873 9.267 -2.744
81 HG23 VAL 10 HG23 VAL 10 12.309 8.826 -2.059
82 H CYS 11 H CYS 11 17.142 6.165 -2.500
83 HA CYS 11 HA CYS 11 15.440 4.865 -4.414
84 HB2 CYS 11 HB2 CYS 11 16.463 7.215 -5.314
85 HB3 CYS 11 HB3 CYS 11 17.746 6.104 -5.783
86 HA PRO 12 HA PRO 12 19.036 2.415 -2.810
87 HB2 PRO 12 HB2 PRO 12 17.550 0.245 -2.136
88 HB3 PRO 12 HB3 PRO 12 17.790 1.620 -1.051
89 HG2 PRO 12 HG2 PRO 12 15.458 0.987 -2.818
90 HG3 PRO 12 HG3 PRO 12 15.467 1.581 -1.147
91 HD2 PRO 12 HD2 PRO 12 15.041 3.208 -3.269
92 HD3 PRO 12 HD3 PRO 12 15.854 3.760 -1.791
93 H ILE 13 H ILE 13 16.414 1.761 -5.031
94 HA ILE 13 HA ILE 13 17.672 -0.549 -6.206
95 HB ILE 13 HB ILE 13 15.199 -0.240 -6.161
96 HG12 ILE 13 HG12 ILE 13 15.249 -0.511 -8.935
97 HG13 ILE 13 HG13 ILE 13 16.853 -1.024 -8.421
98 HG21 ILE 13 HG21 ILE 13 15.567 1.709 -8.415
99 HG22 ILE 13 HG22 ILE 13 14.096 1.321 -7.523
100 HG23 ILE 13 HG23 ILE 13 15.386 2.233 -6.741
101 HD11 ILE 13 HD11 ILE 13 14.789 -2.155 -6.749
102 HD12 ILE 13 HD12 ILE 13 14.549 -2.550 -8.450
103 HD13 ILE 13 HD13 ILE 13 16.073 -2.951 -7.658
Start of MODEL 20
1 H1 SER 1 H SER 1 1.795 1.652 -3.100
2 HA SER 1 HA SER 1 1.695 0.648 -0.975
3 HB2 SER 1 HB2 SER 1 2.235 -1.733 -2.652
4 HB3 SER 1 HB3 SER 1 2.869 -1.790 -1.007
5 HG SER 1 HG SER 1 0.845 -1.623 -0.206
6 H LYS 2 H LYS 2 4.476 -0.544 -2.868
7 HA LYS 2 HA LYS 2 6.318 0.170 -0.774
8 HB2 LYS 2 HB2 LYS 2 6.399 -1.335 -3.279
9 HB3 LYS 2 HB3 LYS 2 7.844 -0.368 -3.014
10 HG2 LYS 2 HG2 LYS 2 8.494 -2.249 -1.942
11 HG3 LYS 2 HG3 LYS 2 7.659 -1.464 -0.599
12 HD2 LYS 2 HD2 LYS 2 6.327 -3.237 -0.441
13 HD3 LYS 2 HD3 LYS 2 5.701 -2.878 -2.052
14 HE2 LYS 2 HE2 LYS 2 6.458 -5.011 -2.381
15 HE3 LYS 2 HE3 LYS 2 7.904 -4.101 -2.814
16 HZ1 LYS 2 HZ1 LYS 2 8.683 -5.731 -1.386
17 HZ2 LYS 2 HZ2 LYS 2 8.520 -4.395 -0.362
18 HZ3 LYS 2 HZ3 LYS 2 7.353 -5.620 -0.346
19 H TRP 3 H TRP 3 8.356 1.419 -1.432
20 HA TRP 3 HA TRP 3 7.616 4.067 -2.047
21 HB2 TRP 3 HB2 TRP 3 9.736 4.611 -1.434
22 HB3 TRP 3 HB3 TRP 3 9.750 2.958 -0.827
23 HD1 TRP 3 HD1 TRP 3 11.909 5.136 -2.655
24 HE1 TRP 3 HE1 TRP 3 13.532 3.854 -4.188
25 HE3 TRP 3 HE3 TRP 3 9.569 0.591 -2.696
26 HZ2 TRP 3 HZ2 TRP 3 13.786 1.260 -5.271
27 HZ3 TRP 3 HZ3 TRP 3 10.566 -1.237 -4.006
28 HH2 TRP 3 HH2 TRP 3 12.630 -0.908 -5.267
29 H ILE 4 H ILE 4 8.265 5.389 -3.829
30 HA ILE 4 HA ILE 4 8.625 3.871 -6.331
31 HB ILE 4 HB ILE 4 7.369 6.583 -6.319
32 HG12 ILE 4 HG12 ILE 4 5.150 5.148 -6.308
33 HG13 ILE 4 HG13 ILE 4 6.134 4.029 -5.372
34 HG21 ILE 4 HG21 ILE 4 6.489 4.335 -8.041
35 HG22 ILE 4 HG22 ILE 4 6.669 6.049 -8.416
36 HG23 ILE 4 HG23 ILE 4 8.092 5.010 -8.333
37 HD11 ILE 4 HD11 ILE 4 6.617 6.450 -4.165
38 HD12 ILE 4 HD12 ILE 4 4.908 6.537 -4.591
39 HD13 ILE 4 HD13 ILE 4 5.504 5.205 -3.600
40 H CYS 5 H CYS 5 10.421 5.474 -4.317
41 HA CYS 5 HA CYS 5 12.354 6.665 -4.442
42 HB2 CYS 5 HB2 CYS 5 12.990 5.078 -6.170
43 HB3 CYS 5 HB3 CYS 5 12.107 6.000 -7.383
44 H ALA 6 H ALA 6 12.019 8.726 -3.902
45 HA ALA 6 HA ALA 6 10.569 10.508 -5.689
46 HB1 ALA 6 HB1 ALA 6 10.017 11.648 -3.853
47 HB2 ALA 6 HB2 ALA 6 10.708 10.302 -2.945
48 HB3 ALA 6 HB3 ALA 6 11.689 11.725 -3.297
49 H ASN 7 H ASN 7 13.821 9.928 -4.547
50 HA ASN 7 HA ASN 7 15.050 11.249 -6.678
51 HB2 ASN 7 HB2 ASN 7 14.117 13.064 -4.755
52 HB3 ASN 7 HB3 ASN 7 15.849 12.933 -4.465
53 HD21 ASN 7 HD21 ASN 7 13.537 14.539 -6.159
54 HD22 ASN 7 HD22 ASN 7 14.504 15.158 -7.450
55 H ARG 8 H ARG 8 17.465 11.953 -5.805
56 HA ARG 8 HA ARG 8 18.786 9.582 -5.300
57 HB2 ARG 8 HB2 ARG 8 19.816 12.286 -4.443
58 HB3 ARG 8 HB3 ARG 8 20.757 10.880 -4.925
59 HG2 ARG 8 HG2 ARG 8 19.026 11.520 -7.069
60 HG3 ARG 8 HG3 ARG 8 19.794 13.015 -6.529
61 HD2 ARG 8 HD2 ARG 8 21.225 12.096 -8.169
62 HD3 ARG 8 HD3 ARG 8 21.988 11.769 -6.613
63 HE ARG 8 HE ARG 8 20.424 9.561 -7.252
64 HH11 ARG 8 HH11 ARG 8 23.221 11.220 -8.495
65 HH12 ARG 8 HH12 ARG 8 23.919 9.794 -9.190
66 HH21 ARG 8 HH21 ARG 8 21.333 7.678 -8.163
67 HH22 ARG 8 HH22 ARG 8 22.843 7.781 -9.002
68 H SER 9 H SER 9 17.380 11.852 -3.049
69 HA SER 9 HA SER 9 18.667 11.004 -0.701
70 HB2 SER 9 HB2 SER 9 17.130 13.056 -1.106
71 HB3 SER 9 HB3 SER 9 15.810 11.948 -0.729
72 HG SER 9 HG SER 9 16.277 12.288 1.280
73 H VAL 10 H VAL 10 15.926 9.726 -2.465
74 HA VAL 10 HA VAL 10 15.937 7.392 -0.684
75 HB VAL 10 HB VAL 10 13.405 7.289 -1.032
76 HG11 VAL 10 HG11 VAL 10 13.959 9.652 0.652
77 HG12 VAL 10 HG12 VAL 10 13.129 8.145 1.044
78 HG13 VAL 10 HG13 VAL 10 14.892 8.198 1.008
79 HG21 VAL 10 HG21 VAL 10 13.259 10.204 -1.178
80 HG22 VAL 10 HG22 VAL 10 13.847 9.447 -2.658
81 HG23 VAL 10 HG23 VAL 10 12.285 8.977 -1.988
82 H CYS 11 H CYS 11 17.169 6.407 -2.381
83 HA CYS 11 HA CYS 11 15.508 5.072 -4.306
84 HB2 CYS 11 HB2 CYS 11 16.492 7.438 -5.203
85 HB3 CYS 11 HB3 CYS 11 17.801 6.352 -5.658
86 HA PRO 12 HA PRO 12 19.134 2.692 -2.668
87 HB2 PRO 12 HB2 PRO 12 17.683 0.495 -2.005
88 HB3 PRO 12 HB3 PRO 12 17.888 1.875 -0.919
89 HG2 PRO 12 HG2 PRO 12 15.584 1.196 -2.706
90 HG3 PRO 12 HG3 PRO 12 15.567 1.792 -1.036
91 HD2 PRO 12 HD2 PRO 12 15.130 3.409 -3.164
92 HD3 PRO 12 HD3 PRO 12 15.919 3.977 -1.679
93 H ILE 13 H ILE 13 16.547 1.989 -4.914
94 HA ILE 13 HA ILE 13 17.856 -0.300 -6.073
95 HB ILE 13 HB ILE 13 15.380 -0.043 -6.057
96 HG12 ILE 13 HG12 ILE 13 15.882 -0.145 -8.938
97 HG13 ILE 13 HG13 ILE 13 17.017 -1.116 -8.006
98 HG21 ILE 13 HG21 ILE 13 15.827 2.010 -8.216
99 HG22 ILE 13 HG22 ILE 13 14.284 1.470 -7.555
100 HG23 ILE 13 HG23 ILE 13 15.397 2.399 -6.551
101 HD11 ILE 13 HD11 ILE 13 14.018 -1.326 -7.971
102 HD12 ILE 13 HD12 ILE 13 15.157 -2.470 -8.681
103 HD13 ILE 13 HD13 ILE 13 15.108 -2.246 -6.933