Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
613200 | 5jpl RC | 30073 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H GLY 1 H GLY 1 9.909 10.593 1.560
2 HA2 GLY 1 HA3 GLY 1 12.336 11.658 1.598
3 HA3 GLY 1 HA2 GLY 1 11.987 9.974 1.952
4 H ARG 2 H ARG 2 9.909 9.338 0.313
5 HA ARG 2 HA ARG 2 11.076 9.701 -2.363
6 HB2 ARG 2 HB3 ARG 2 9.051 7.576 -2.163
7 HB3 ARG 2 HB2 ARG 2 10.709 7.488 -2.743
8 HG2 ARG 2 HG3 ARG 2 10.740 6.083 -0.875
9 HG3 ARG 2 HG2 ARG 2 11.360 7.590 -0.213
10 HD2 ARG 2 HD3 ARG 2 9.741 7.096 1.378
11 HD3 ARG 2 HD2 ARG 2 8.750 8.029 0.257
12 HE ARG 2 HE ARG 2 7.569 6.091 -0.165
13 HH11 ARG 2 HH11 ARG 2 7.192 3.853 -0.073
14 HH12 ARG 2 HH12 ARG 2 8.444 2.791 0.479
15 HH21 ARG 2 HH21 ARG 2 10.727 5.341 1.036
16 HH22 ARG 2 HH22 ARG 2 10.446 3.633 1.106
17 HA PRO 3 HA PRO 3 7.515 11.935 -3.792
18 HB2 PRO 3 HB3 PRO 3 7.435 11.165 -6.420
19 HB3 PRO 3 HB2 PRO 3 8.678 12.254 -5.770
20 HG2 PRO 3 HG3 PRO 3 8.831 9.306 -6.269
21 HG3 PRO 3 HG2 PRO 3 10.011 10.574 -6.659
22 HD2 PRO 3 HD3 PRO 3 10.298 9.002 -4.463
23 HD3 PRO 3 HD2 PRO 3 10.795 10.709 -4.463
24 H ASN 4 H ASN 4 5.572 11.325 -2.988
25 HA ASN 4 HA ASN 4 3.759 9.775 -4.417
26 HB2 ASN 4 HB3 ASN 4 3.618 7.814 -2.722
27 HB3 ASN 4 HB2 ASN 4 4.862 7.752 -3.965
28 HD21 ASN 4 HD21 ASN 4 6.076 6.325 -2.405
29 HD22 ASN 4 HD22 ASN 4 6.957 7.048 -1.148
30 H TRP 5 H TRP 5 4.228 12.120 -2.502
31 HA TRP 5 HA TRP 5 3.157 13.172 -0.730
32 HB2 TRP 5 HB3 TRP 5 1.528 13.035 -2.787
33 HB3 TRP 5 HB2 TRP 5 0.629 11.907 -1.780
34 HD1 TRP 5 HD1 TRP 5 1.596 13.682 0.937
35 HE1 TRP 5 HE1 TRP 5 0.192 15.772 1.460
36 HE3 TRP 5 HE3 TRP 5 -0.632 14.412 -3.604
37 HZ2 TRP 5 HZ2 TRP 5 -1.636 17.527 0.135
38 HZ3 TRP 5 HZ3 TRP 5 -2.200 16.301 -3.942
39 HH2 TRP 5 HH2 TRP 5 -2.704 17.858 -2.080
40 H GLY 6 H GLY 6 4.258 11.495 0.680
41 HA2 GLY 6 HA3 GLY 6 2.374 9.578 1.895
42 HA3 GLY 6 HA2 GLY 6 4.097 9.568 2.075
43 H PHE 7 H PHE 7 5.089 11.095 3.524
44 HA PHE 7 HA PHE 7 3.225 12.469 5.364
45 HB2 PHE 7 HB3 PHE 7 5.461 10.588 6.145
46 HB3 PHE 7 HB2 PHE 7 4.589 11.632 7.263
47 HD1 PHE 7 HD1 PHE 7 4.482 8.570 5.308
48 HD2 PHE 7 HD3 PHE 7 2.124 11.333 7.600
49 HE1 PHE 7 HE1 PHE 7 2.670 6.884 5.477
50 HE2 PHE 7 HE2 PHE 7 0.313 9.648 7.770
51 HZ PHE 7 HZ PHE 7 0.586 7.423 6.709
52 H GLU 8 H GLU 8 6.611 12.052 4.301
53 HA GLU 8 HA GLU 8 7.566 14.377 5.645
54 HB2 GLU 8 HB3 GLU 8 9.494 14.196 4.066
55 HB3 GLU 8 HB2 GLU 8 9.153 12.690 4.922
56 HG2 GLU 8 HG3 GLU 8 8.180 11.697 3.023
57 HG3 GLU 8 HG2 GLU 8 7.934 13.239 2.228
58 H ASN 9 H ASN 9 8.007 16.444 4.837
59 HA ASN 9 HA ASN 9 7.289 18.388 3.797
60 HB2 ASN 9 HB3 ASN 9 7.815 18.324 1.329
61 HB3 ASN 9 HB2 ASN 9 9.126 17.813 2.389
62 HD21 ASN 9 HD21 ASN 9 6.331 16.326 0.625
63 HD22 ASN 9 HD22 ASN 9 7.178 14.926 0.192
64 H ASP 10 H ASP 10 5.218 16.049 3.966
65 HA ASP 10 HA ASP 10 3.060 15.652 3.259
66 HB2 ASP 10 HB3 ASP 10 3.302 18.637 2.873
67 HB3 ASP 10 HB2 ASP 10 1.785 17.765 2.661
68 H TRP 11 H TRP 11 5.329 15.602 1.234
69 HA TRP 11 HA TRP 11 3.605 15.414 -1.136
70 HB2 TRP 11 HB3 TRP 11 6.095 17.120 -0.981
71 HB3 TRP 11 HB2 TRP 11 5.490 16.483 -2.507
72 HD1 TRP 11 HD1 TRP 11 5.153 19.370 -0.291
73 HE1 TRP 11 HE1 TRP 11 3.065 20.759 -0.888
74 HE3 TRP 11 HE3 TRP 11 2.743 16.069 -3.351
75 HZ2 TRP 11 HZ2 TRP 11 0.688 20.504 -2.457
76 HZ3 TRP 11 HZ3 TRP 11 0.571 16.668 -4.383
77 HH2 TRP 11 HH2 TRP 11 -0.459 18.878 -3.940
78 H SER 12 H SER 12 5.549 13.893 0.894
79 HA SER 12 HA SER 12 6.187 11.809 -0.993
80 HB2 SER 12 HB3 SER 12 8.307 13.619 0.062
81 HB3 SER 12 HB2 SER 12 8.684 11.907 -0.030
82 HG SER 12 HG SER 12 7.669 13.529 -2.128
83 H CYS 13 H CYS 13 7.207 9.903 0.185
84 HA CYS 13 HA CYS 13 6.090 9.746 2.925
85 HB2 CYS 13 HB3 CYS 13 5.515 8.147 0.844
86 HB3 CYS 13 HB2 CYS 13 6.916 7.279 1.460
87 H VAL 14 H VAL 14 7.262 8.661 4.575
88 HA VAL 14 HA VAL 14 10.070 9.289 4.532
89 HB VAL 14 HB VAL 14 10.059 8.421 6.846
90 HG11 VAL 14 HG11 VAL 14 9.460 10.725 6.567
91 HG12 VAL 14 HG12 VAL 14 8.290 10.043 7.696
92 HG13 VAL 14 HG13 VAL 14 7.840 10.303 6.010
93 HG21 VAL 14 HG21 VAL 14 7.632 7.888 7.700
94 HG22 VAL 14 HG22 VAL 14 8.545 6.621 6.889
95 HG23 VAL 14 HG23 VAL 14 7.303 7.511 6.008
96 H ARG 15 H ARG 15 8.253 6.234 4.982
97 HA ARG 15 HA ARG 15 9.994 4.723 3.322
98 HB2 ARG 15 HB3 ARG 15 11.455 5.182 5.381
99 HB3 ARG 15 HB2 ARG 15 10.350 4.131 6.263
100 HG2 ARG 15 HG3 ARG 15 10.828 2.288 4.720
101 HG3 ARG 15 HG2 ARG 15 11.871 3.336 3.762
102 HD2 ARG 15 HD3 ARG 15 13.357 3.631 5.702
103 HD3 ARG 15 HD2 ARG 15 12.308 2.600 6.670
104 HE ARG 15 HE ARG 15 13.208 1.302 4.266
105 HH11 ARG 15 HH11 ARG 15 14.683 -0.401 4.539
106 HH12 ARG 15 HH12 ARG 15 15.524 -0.579 6.043
107 HH21 ARG 15 HH21 ARG 15 14.023 2.181 7.512
108 HH22 ARG 15 HH22 ARG 15 15.149 0.883 7.726
109 H VAL 16 H VAL 16 9.473 2.369 3.438
110 HA VAL 16 HA VAL 16 7.905 0.690 3.377
111 HB VAL 16 HB VAL 16 7.131 1.938 6.026
112 HG11 VAL 16 HG21 VAL 16 6.362 -0.653 4.671
113 HG12 VAL 16 HG22 VAL 16 5.297 0.579 5.350
114 HG13 VAL 16 HG23 VAL 16 6.257 -0.444 6.420
115 HG21 VAL 16 HG31 VAL 16 9.089 -0.210 5.189
116 HG22 VAL 16 HG32 VAL 16 8.444 -0.143 6.830
117 HG23 VAL 16 HG33 VAL 16 9.382 1.208 6.196
118 H CYS 17 H CYS 17 5.788 2.831 5.198
119 HA CYS 17 HA CYS 17 3.753 3.769 4.688
120 HB2 CYS 17 HB3 CYS 17 4.710 3.836 1.825
121 HB3 CYS 17 HB2 CYS 17 3.573 4.927 2.620
Start of MODEL 2
1 H GLY 1 H GLY 1 10.630 10.196 2.175
2 HA2 GLY 1 HA3 GLY 1 11.921 11.305 0.001
3 HA3 GLY 1 HA2 GLY 1 12.261 9.796 0.843
4 H ARG 2 H ARG 2 9.056 10.070 -0.310
5 HA ARG 2 HA ARG 2 9.672 8.454 -2.712
6 HB2 ARG 2 HB3 ARG 2 7.569 8.012 -0.601
7 HB3 ARG 2 HB2 ARG 2 7.565 7.193 -2.162
8 HG2 ARG 2 HG3 ARG 2 9.423 5.895 -1.651
9 HG3 ARG 2 HG2 ARG 2 10.116 7.110 -0.581
10 HD2 ARG 2 HD3 ARG 2 9.343 5.185 0.717
11 HD3 ARG 2 HD2 ARG 2 8.387 6.614 1.099
12 HE ARG 2 HE ARG 2 6.531 5.573 0.152
13 HH11 ARG 2 HH11 ARG 2 5.473 3.795 -0.792
14 HH12 ARG 2 HH12 ARG 2 6.403 2.485 -1.440
15 HH21 ARG 2 HH21 ARG 2 9.460 3.912 -0.636
16 HH22 ARG 2 HH22 ARG 2 8.661 2.551 -1.351
17 HA PRO 3 HA PRO 3 7.358 12.209 -4.189
18 HB2 PRO 3 HB3 PRO 3 7.966 10.674 -6.694
19 HB3 PRO 3 HB2 PRO 3 8.053 12.423 -6.396
20 HG2 PRO 3 HG3 PRO 3 10.259 10.959 -6.433
21 HG3 PRO 3 HG2 PRO 3 10.056 12.258 -5.242
22 HD2 PRO 3 HD3 PRO 3 9.901 9.297 -4.834
23 HD3 PRO 3 HD2 PRO 3 10.444 10.558 -3.709
24 H ASN 4 H ASN 4 5.419 11.288 -3.131
25 HA ASN 4 HA ASN 4 3.401 10.647 -5.021
26 HB2 ASN 4 HB3 ASN 4 4.634 8.430 -4.810
27 HB3 ASN 4 HB2 ASN 4 4.035 8.367 -3.155
28 HD21 ASN 4 HD21 ASN 4 3.099 8.111 -6.541
29 HD22 ASN 4 HD22 ASN 4 1.500 7.621 -6.249
30 H TRP 5 H TRP 5 3.843 12.494 -2.797
31 HA TRP 5 HA TRP 5 2.703 13.388 -0.992
32 HB2 TRP 5 HB3 TRP 5 0.364 11.745 -1.947
33 HB3 TRP 5 HB2 TRP 5 0.342 13.310 -1.135
34 HD1 TRP 5 HD1 TRP 5 2.867 14.340 -3.099
35 HE1 TRP 5 HE1 TRP 5 2.209 15.172 -5.447
36 HE3 TRP 5 HE3 TRP 5 -1.749 12.198 -3.532
37 HZ2 TRP 5 HZ2 TRP 5 0.014 14.957 -7.270
38 HZ3 TRP 5 HZ3 TRP 5 -3.099 12.527 -5.582
39 HH2 TRP 5 HH2 TRP 5 -2.226 13.903 -7.450
40 H GLY 6 H GLY 6 3.447 12.686 0.907
41 HA2 GLY 6 HA3 GLY 6 2.061 10.519 2.256
42 HA3 GLY 6 HA2 GLY 6 3.750 10.225 1.948
43 H PHE 7 H PHE 7 4.799 10.467 3.825
44 HA PHE 7 HA PHE 7 3.930 12.458 5.771
45 HB2 PHE 7 HB3 PHE 7 6.030 10.296 5.810
46 HB3 PHE 7 HB2 PHE 7 5.801 11.438 7.127
47 HD1 PHE 7 HD1 PHE 7 3.557 11.582 8.274
48 HD2 PHE 7 HD3 PHE 7 4.566 8.433 5.533
49 HE1 PHE 7 HE1 PHE 7 1.700 10.206 9.173
50 HE2 PHE 7 HE2 PHE 7 2.708 7.056 6.429
51 HZ PHE 7 HZ PHE 7 1.276 7.942 8.250
52 H GLU 8 H GLU 8 7.193 11.597 4.492
53 HA GLU 8 HA GLU 8 8.514 13.873 5.337
54 HB2 GLU 8 HB3 GLU 8 10.005 13.554 3.323
55 HB3 GLU 8 HB2 GLU 8 9.800 12.117 4.330
56 HG2 GLU 8 HG3 GLU 8 8.412 11.071 2.774
57 HG3 GLU 8 HG2 GLU 8 7.938 12.585 2.038
58 H ASN 9 H ASN 9 8.954 15.905 4.463
59 HA ASN 9 HA ASN 9 8.221 17.917 3.587
60 HB2 ASN 9 HB3 ASN 9 8.139 17.863 1.070
61 HB3 ASN 9 HB2 ASN 9 9.611 17.206 1.779
62 HD21 ASN 9 HD21 ASN 9 6.363 16.047 0.658
63 HD22 ASN 9 HD22 ASN 9 6.953 14.590 0.038
64 H ASP 10 H ASP 10 6.094 15.809 4.333
65 HA ASP 10 HA ASP 10 3.809 15.556 4.189
66 HB2 ASP 10 HB3 ASP 10 4.113 17.924 5.076
67 HB3 ASP 10 HB2 ASP 10 3.797 18.478 3.433
68 H TRP 11 H TRP 11 5.594 15.702 1.584
69 HA TRP 11 HA TRP 11 3.287 15.535 -0.261
70 HB2 TRP 11 HB3 TRP 11 5.872 17.030 -0.745
71 HB3 TRP 11 HB2 TRP 11 4.803 16.518 -2.047
72 HD1 TRP 11 HD1 TRP 11 5.387 19.329 0.203
73 HE1 TRP 11 HE1 TRP 11 3.350 20.910 0.264
74 HE3 TRP 11 HE3 TRP 11 1.898 16.354 -2.041
75 HZ2 TRP 11 HZ2 TRP 11 0.600 20.908 -0.533
76 HZ3 TRP 11 HZ3 TRP 11 -0.420 17.164 -2.377
77 HH2 TRP 11 HH2 TRP 11 -1.072 19.435 -1.627
78 H SER 12 H SER 12 5.317 13.687 1.228
79 HA SER 12 HA SER 12 5.391 11.744 -0.881
80 HB2 SER 12 HB3 SER 12 7.897 13.175 -0.096
81 HB3 SER 12 HB2 SER 12 7.984 11.473 -0.529
82 HG SER 12 HG SER 12 8.074 13.337 -2.185
83 H CYS 13 H CYS 13 6.254 9.637 -0.098
84 HA CYS 13 HA CYS 13 5.581 9.279 2.738
85 HB2 CYS 13 HB3 CYS 13 5.422 7.666 0.304
86 HB3 CYS 13 HB2 CYS 13 6.143 6.762 1.629
87 H VAL 14 H VAL 14 6.923 8.054 4.166
88 HA VAL 14 HA VAL 14 9.784 8.550 3.704
89 HB VAL 14 HB VAL 14 9.945 7.913 6.147
90 HG11 VAL 14 HG11 VAL 14 8.269 10.216 5.151
91 HG12 VAL 14 HG12 VAL 14 9.941 10.230 5.709
92 HG13 VAL 14 HG13 VAL 14 8.628 10.034 6.868
93 HG21 VAL 14 HG21 VAL 14 6.924 8.080 5.979
94 HG22 VAL 14 HG22 VAL 14 7.888 7.765 7.422
95 HG23 VAL 14 HG23 VAL 14 7.824 6.570 6.127
96 H ARG 15 H ARG 15 10.829 6.577 5.417
97 HA ARG 15 HA ARG 15 11.230 4.427 3.694
98 HB2 ARG 15 HB3 ARG 15 12.701 4.994 5.603
99 HB3 ARG 15 HB2 ARG 15 11.453 4.426 6.713
100 HG2 ARG 15 HG3 ARG 15 11.578 2.176 5.724
101 HG3 ARG 15 HG2 ARG 15 12.805 2.738 4.586
102 HD2 ARG 15 HD3 ARG 15 13.089 2.844 7.599
103 HD3 ARG 15 HD2 ARG 15 13.774 1.580 6.580
104 HE ARG 15 HE ARG 15 14.727 4.317 6.830
105 HH11 ARG 15 HH11 ARG 15 16.659 4.764 5.719
106 HH12 ARG 15 HH12 ARG 15 17.261 3.635 4.553
107 HH21 ARG 15 HH21 ARG 15 14.652 1.392 4.986
108 HH22 ARG 15 HH22 ARG 15 16.125 1.724 4.137
109 H VAL 16 H VAL 16 8.947 4.740 6.414
110 HA VAL 16 HA VAL 16 7.788 2.113 5.776
111 HB VAL 16 HB VAL 16 6.953 4.025 7.965
112 HG11 VAL 16 HG21 VAL 16 5.967 2.081 8.956
113 HG12 VAL 16 HG22 VAL 16 6.787 1.006 7.824
114 HG13 VAL 16 HG23 VAL 16 5.487 2.056 7.259
115 HG21 VAL 16 HG31 VAL 16 9.069 1.849 7.990
116 HG22 VAL 16 HG32 VAL 16 8.454 2.665 9.427
117 HG23 VAL 16 HG33 VAL 16 9.347 3.576 8.211
118 H CYS 17 H CYS 17 6.399 2.156 4.114
119 HA CYS 17 HA CYS 17 3.957 3.618 4.285
120 HB2 CYS 17 HB3 CYS 17 5.526 5.424 3.518
121 HB3 CYS 17 HB2 CYS 17 5.827 4.475 2.064
Start of MODEL 3
1 H GLY 1 H GLY 1 10.193 13.409 1.118
2 HA2 GLY 1 HA3 GLY 1 11.698 13.007 -0.067
3 HA3 GLY 1 HA2 GLY 1 11.974 11.522 0.844
4 H ARG 2 H ARG 2 11.198 9.582 0.066
5 HA ARG 2 HA ARG 2 11.165 8.955 -2.536
6 HB2 ARG 2 HB3 ARG 2 9.599 7.048 -1.935
7 HB3 ARG 2 HB2 ARG 2 11.081 7.183 -0.998
8 HG2 ARG 2 HG3 ARG 2 9.030 8.772 0.309
9 HG3 ARG 2 HG2 ARG 2 8.372 7.174 -0.016
10 HD2 ARG 2 HD3 ARG 2 10.846 7.869 1.576
11 HD3 ARG 2 HD2 ARG 2 9.394 7.041 2.138
12 HE ARG 2 HE ARG 2 10.230 5.319 0.281
13 HH11 ARG 2 HH11 ARG 2 11.845 3.741 0.503
14 HH12 ARG 2 HH12 ARG 2 13.146 3.988 1.621
15 HH21 ARG 2 HH21 ARG 2 12.006 7.082 2.683
16 HH22 ARG 2 HH22 ARG 2 13.236 5.877 2.851
17 HA PRO 3 HA PRO 3 7.653 11.603 -3.933
18 HB2 PRO 3 HB3 PRO 3 8.320 9.999 -6.386
19 HB3 PRO 3 HB2 PRO 3 7.957 11.732 -6.240
20 HG2 PRO 3 HG3 PRO 3 10.457 10.888 -6.533
21 HG3 PRO 3 HG2 PRO 3 10.072 12.243 -5.456
22 HD2 PRO 3 HD3 PRO 3 10.833 9.441 -4.745
23 HD3 PRO 3 HD2 PRO 3 11.114 10.943 -3.850
24 H ASN 4 H ASN 4 5.904 10.649 -2.831
25 HA ASN 4 HA ASN 4 4.241 8.893 -4.324
26 HB2 ASN 4 HB3 ASN 4 6.026 7.304 -3.430
27 HB3 ASN 4 HB2 ASN 4 5.364 7.624 -1.829
28 HD21 ASN 4 HD21 ASN 4 5.230 5.004 -2.927
29 HD22 ASN 4 HD22 ASN 4 3.609 4.639 -3.271
30 H TRP 5 H TRP 5 4.277 11.403 -2.591
31 HA TRP 5 HA TRP 5 2.896 12.459 -1.058
32 HB2 TRP 5 HB3 TRP 5 1.016 10.316 -2.073
33 HB3 TRP 5 HB2 TRP 5 0.525 11.729 -1.139
34 HD1 TRP 5 HD1 TRP 5 1.606 14.144 -2.313
35 HE1 TRP 5 HE1 TRP 5 1.408 14.824 -4.792
36 HE3 TRP 5 HE3 TRP 5 0.676 9.581 -4.407
37 HZ2 TRP 5 HZ2 TRP 5 0.922 13.594 -7.329
38 HZ3 TRP 5 HZ3 TRP 5 0.352 9.363 -6.854
39 HH2 TRP 5 HH2 TRP 5 0.474 11.361 -8.317
40 H GLY 6 H GLY 6 3.667 12.187 0.988
41 HA2 GLY 6 HA3 GLY 6 2.408 10.169 2.651
42 HA3 GLY 6 HA2 GLY 6 4.123 9.966 2.450
43 H PHE 7 H PHE 7 4.580 10.340 4.622
44 HA PHE 7 HA PHE 7 3.604 12.586 6.065
45 HB2 PHE 7 HB3 PHE 7 5.861 10.658 6.580
46 HB3 PHE 7 HB2 PHE 7 5.383 11.917 7.714
47 HD1 PHE 7 HD1 PHE 7 4.500 8.699 6.228
48 HD2 PHE 7 HD3 PHE 7 3.123 11.899 8.740
49 HE1 PHE 7 HE1 PHE 7 2.673 7.250 7.073
50 HE2 PHE 7 HE2 PHE 7 1.296 10.451 9.585
51 HZ PHE 7 HZ PHE 7 1.071 8.125 8.752
52 H GLU 8 H GLU 8 6.959 11.934 4.866
53 HA GLU 8 HA GLU 8 7.983 14.435 5.646
54 HB2 GLU 8 HB3 GLU 8 9.680 14.057 3.796
55 HB3 GLU 8 HB2 GLU 8 9.550 12.748 4.974
56 HG2 GLU 8 HG3 GLU 8 8.162 11.476 3.506
57 HG3 GLU 8 HG2 GLU 8 8.017 12.817 2.386
58 H ASN 9 H ASN 9 8.315 16.374 4.537
59 HA ASN 9 HA ASN 9 7.480 18.173 3.344
60 HB2 ASN 9 HB3 ASN 9 7.587 17.757 0.844
61 HB3 ASN 9 HB2 ASN 9 9.061 17.405 1.741
62 HD21 ASN 9 HD21 ASN 9 6.081 15.703 0.547
63 HD22 ASN 9 HD22 ASN 9 6.889 14.249 0.242
64 H ASP 10 H ASP 10 5.486 15.937 4.183
65 HA ASP 10 HA ASP 10 3.255 15.433 3.853
66 HB2 ASP 10 HB3 ASP 10 3.378 18.373 3.165
67 HB3 ASP 10 HB2 ASP 10 1.862 17.481 3.288
68 H TRP 11 H TRP 11 5.191 15.214 1.532
69 HA TRP 11 HA TRP 11 3.151 14.814 -0.540
70 HB2 TRP 11 HB3 TRP 11 4.144 17.069 -0.946
71 HB3 TRP 11 HB2 TRP 11 5.721 16.309 -1.121
72 HD1 TRP 11 HD1 TRP 11 2.289 16.503 -2.794
73 HE1 TRP 11 HE1 TRP 11 2.513 15.697 -5.232
74 HE3 TRP 11 HE3 TRP 11 7.128 14.871 -2.740
75 HZ2 TRP 11 HZ2 TRP 11 4.486 14.516 -6.934
76 HZ3 TRP 11 HZ3 TRP 11 8.154 13.912 -4.783
77 HH2 TRP 11 HH2 TRP 11 6.840 13.733 -6.877
78 H SER 12 H SER 12 5.307 13.418 1.308
79 HA SER 12 HA SER 12 5.683 11.208 -0.472
80 HB2 SER 12 HB3 SER 12 8.025 12.984 0.132
81 HB3 SER 12 HB2 SER 12 8.270 11.251 -0.054
82 HG SER 12 HG SER 12 6.888 11.646 -2.042
83 H CYS 13 H CYS 13 6.776 9.366 0.657
84 HA CYS 13 HA CYS 13 5.981 9.358 3.485
85 HB2 CYS 13 HB3 CYS 13 7.056 7.007 1.936
86 HB3 CYS 13 HB2 CYS 13 5.980 7.010 3.334
87 H VAL 14 H VAL 14 7.369 8.440 5.128
88 HA VAL 14 HA VAL 14 10.069 9.444 4.925
89 HB VAL 14 HB VAL 14 10.244 8.486 7.283
90 HG11 VAL 14 HG11 VAL 14 9.811 10.809 7.080
91 HG12 VAL 14 HG12 VAL 14 8.548 10.217 8.159
92 HG13 VAL 14 HG13 VAL 14 8.184 10.537 6.463
93 HG21 VAL 14 HG21 VAL 14 8.171 7.808 8.360
94 HG22 VAL 14 HG22 VAL 14 8.420 6.789 6.944
95 HG23 VAL 14 HG23 VAL 14 7.257 8.112 6.885
96 H ARG 15 H ARG 15 8.503 6.282 5.007
97 HA ARG 15 HA ARG 15 11.002 5.047 4.050
98 HB2 ARG 15 HB3 ARG 15 10.766 4.790 6.585
99 HB3 ARG 15 HB2 ARG 15 9.350 3.796 6.252
100 HG2 ARG 15 HG3 ARG 15 10.997 2.152 6.341
101 HG3 ARG 15 HG2 ARG 15 11.015 2.518 4.617
102 HD2 ARG 15 HD3 ARG 15 12.895 4.099 4.993
103 HD3 ARG 15 HD2 ARG 15 12.882 3.690 6.705
104 HE ARG 15 HE ARG 15 13.151 1.336 5.125
105 HH11 ARG 15 HH11 ARG 15 15.208 0.365 5.040
106 HH12 ARG 15 HH12 ARG 15 16.609 1.283 5.484
107 HH21 ARG 15 HH21 ARG 15 14.823 4.164 6.209
108 HH22 ARG 15 HH22 ARG 15 16.391 3.432 6.145
109 H VAL 16 H VAL 16 7.858 3.818 5.179
110 HA VAL 16 HA VAL 16 7.329 2.783 2.444
111 HB VAL 16 HB VAL 16 6.062 0.942 3.652
112 HG11 VAL 16 HG21 VAL 16 8.107 -0.360 4.072
113 HG12 VAL 16 HG22 VAL 16 9.055 1.126 4.113
114 HG13 VAL 16 HG23 VAL 16 8.285 0.612 2.611
115 HG21 VAL 16 HG31 VAL 16 6.778 0.510 5.989
116 HG22 VAL 16 HG32 VAL 16 5.912 2.038 5.852
117 HG23 VAL 16 HG33 VAL 16 7.670 2.030 5.989
118 H CYS 17 H CYS 17 5.435 3.356 1.568
119 HA CYS 17 HA CYS 17 3.684 5.133 3.042
120 HB2 CYS 17 HB3 CYS 17 3.244 4.037 0.262
121 HB3 CYS 17 HB2 CYS 17 2.598 5.523 0.958
Start of MODEL 4
1 H GLY 1 H GLY 1 10.743 10.001 2.017
2 HA2 GLY 1 HA3 GLY 1 11.959 10.922 0.095
3 HA3 GLY 1 HA2 GLY 1 12.027 9.334 0.845
4 H ARG 2 H ARG 2 9.347 10.698 -1.064
5 HA ARG 2 HA ARG 2 9.995 9.395 -3.493
6 HB2 ARG 2 HB3 ARG 2 8.100 7.679 -3.366
7 HB3 ARG 2 HB2 ARG 2 9.596 7.307 -2.517
8 HG2 ARG 2 HG3 ARG 2 7.829 8.792 -0.732
9 HG3 ARG 2 HG2 ARG 2 6.955 7.424 -1.412
10 HD2 ARG 2 HD3 ARG 2 9.604 7.318 0.059
11 HD3 ARG 2 HD2 ARG 2 8.054 6.710 0.632
12 HE ARG 2 HE ARG 2 9.848 5.364 -1.142
13 HH11 ARG 2 HH11 ARG 2 9.151 3.392 -2.014
14 HH12 ARG 2 HH12 ARG 2 7.470 2.977 -1.972
15 HH21 ARG 2 HH21 ARG 2 6.512 5.908 -0.388
16 HH22 ARG 2 HH22 ARG 2 5.976 4.400 -1.052
17 HA PRO 3 HA PRO 3 6.969 12.816 -4.175
18 HB2 PRO 3 HB3 PRO 3 7.391 11.705 -6.936
19 HB3 PRO 3 HB2 PRO 3 7.296 13.399 -6.407
20 HG2 PRO 3 HG3 PRO 3 9.642 12.292 -6.927
21 HG3 PRO 3 HG2 PRO 3 9.450 13.383 -5.543
22 HD2 PRO 3 HD3 PRO 3 9.734 10.406 -5.565
23 HD3 PRO 3 HD2 PRO 3 10.268 11.575 -4.337
24 H ASN 4 H ASN 4 5.301 11.571 -3.054
25 HA ASN 4 HA ASN 4 3.248 10.639 -4.866
26 HB2 ASN 4 HB3 ASN 4 4.568 8.733 -2.928
27 HB3 ASN 4 HB2 ASN 4 3.002 8.435 -3.679
28 HD21 ASN 4 HD21 ASN 4 6.078 7.463 -4.026
29 HD22 ASN 4 HD22 ASN 4 6.178 7.324 -5.716
30 H TRP 5 H TRP 5 3.677 12.725 -2.780
31 HA TRP 5 HA TRP 5 2.598 13.646 -0.949
32 HB2 TRP 5 HB3 TRP 5 0.808 13.704 -2.634
33 HB3 TRP 5 HB2 TRP 5 0.296 12.089 -2.147
34 HD1 TRP 5 HD1 TRP 5 0.580 15.665 -0.773
35 HE1 TRP 5 HE1 TRP 5 -1.093 15.929 1.169
36 HE3 TRP 5 HE3 TRP 5 -1.123 10.863 -0.416
37 HZ2 TRP 5 HZ2 TRP 5 -2.915 14.319 2.674
38 HZ3 TRP 5 HZ3 TRP 5 -2.827 10.257 1.277
39 HH2 TRP 5 HH2 TRP 5 -3.725 11.977 2.822
40 H GLY 6 H GLY 6 3.683 12.608 0.734
41 HA2 GLY 6 HA3 GLY 6 2.086 10.605 2.189
42 HA3 GLY 6 HA2 GLY 6 3.757 10.246 1.848
43 H PHE 7 H PHE 7 4.487 10.255 3.959
44 HA PHE 7 HA PHE 7 3.823 12.358 5.790
45 HB2 PHE 7 HB3 PHE 7 5.846 10.126 5.909
46 HB3 PHE 7 HB2 PHE 7 5.539 11.248 7.227
47 HD1 PHE 7 HD1 PHE 7 3.317 11.303 8.348
48 HD2 PHE 7 HD3 PHE 7 4.283 8.385 5.348
49 HE1 PHE 7 HE1 PHE 7 1.383 9.926 9.066
50 HE2 PHE 7 HE2 PHE 7 2.350 7.008 6.063
51 HZ PHE 7 HZ PHE 7 0.900 7.778 7.923
52 H GLU 8 H GLU 8 6.999 11.407 4.326
53 HA GLU 8 HA GLU 8 8.426 13.600 5.308
54 HB2 GLU 8 HB3 GLU 8 9.972 13.270 3.379
55 HB3 GLU 8 HB2 GLU 8 9.624 11.771 4.242
56 HG2 GLU 8 HG3 GLU 8 8.214 10.993 2.543
57 HG3 GLU 8 HG2 GLU 8 7.989 12.578 1.861
58 H ASN 9 H ASN 9 8.843 15.668 4.568
59 HA ASN 9 HA ASN 9 8.155 17.717 3.733
60 HB2 ASN 9 HB3 ASN 9 8.183 17.713 1.180
61 HB3 ASN 9 HB2 ASN 9 9.638 17.127 1.980
62 HD21 ASN 9 HD21 ASN 9 6.566 15.871 0.514
63 HD22 ASN 9 HD22 ASN 9 7.258 14.410 0.012
64 H ASP 10 H ASP 10 5.961 15.510 4.165
65 HA ASP 10 HA ASP 10 3.684 15.340 3.909
66 HB2 ASP 10 HB3 ASP 10 3.931 17.684 4.851
67 HB3 ASP 10 HB2 ASP 10 3.773 18.272 3.195
68 H TRP 11 H TRP 11 5.687 15.884 1.358
69 HA TRP 11 HA TRP 11 3.506 15.799 -0.647
70 HB2 TRP 11 HB3 TRP 11 6.367 16.491 -1.290
71 HB3 TRP 11 HB2 TRP 11 4.907 16.861 -2.199
72 HD1 TRP 11 HD1 TRP 11 3.183 17.959 0.259
73 HE1 TRP 11 HE1 TRP 11 3.735 20.283 1.226
74 HE3 TRP 11 HE3 TRP 11 7.984 18.483 -1.399
75 HZ2 TRP 11 HZ2 TRP 11 5.925 22.123 1.287
76 HZ3 TRP 11 HZ3 TRP 11 9.279 20.529 -0.873
77 HH2 TRP 11 HH2 TRP 11 8.258 22.348 0.467
78 H SER 12 H SER 12 5.536 13.835 1.004
79 HA SER 12 HA SER 12 5.209 11.710 -0.902
80 HB2 SER 12 HB3 SER 12 7.737 11.178 -0.810
81 HB3 SER 12 HB2 SER 12 7.179 12.391 -1.943
82 HG SER 12 HG SER 12 8.626 13.572 -0.970
83 H CYS 13 H CYS 13 6.123 9.619 -0.058
84 HA CYS 13 HA CYS 13 5.631 9.485 2.848
85 HB2 CYS 13 HB3 CYS 13 4.328 8.090 1.155
86 HB3 CYS 13 HB2 CYS 13 5.805 7.158 0.941
87 H VAL 14 H VAL 14 6.914 7.898 4.110
88 HA VAL 14 HA VAL 14 9.762 8.239 3.509
89 HB VAL 14 HB VAL 14 10.105 7.440 5.809
90 HG11 VAL 14 HG11 VAL 14 8.709 9.271 6.944
91 HG12 VAL 14 HG12 VAL 14 8.042 9.595 5.345
92 HG13 VAL 14 HG13 VAL 14 9.770 9.786 5.632
93 HG21 VAL 14 HG21 VAL 14 7.995 7.122 7.207
94 HG22 VAL 14 HG22 VAL 14 8.347 5.827 6.063
95 HG23 VAL 14 HG23 VAL 14 7.108 7.024 5.686
96 H ARG 15 H ARG 15 10.644 5.934 5.012
97 HA ARG 15 HA ARG 15 10.466 3.956 2.894
98 HB2 ARG 15 HB3 ARG 15 12.587 4.556 4.203
99 HB3 ARG 15 HB2 ARG 15 11.888 3.637 5.536
100 HG2 ARG 15 HG3 ARG 15 13.117 1.964 4.479
101 HG3 ARG 15 HG2 ARG 15 11.562 1.768 3.676
102 HD2 ARG 15 HD3 ARG 15 12.384 3.251 1.830
103 HD3 ARG 15 HD2 ARG 15 13.952 3.314 2.624
104 HE ARG 15 HE ARG 15 12.820 1.050 1.177
105 HH11 ARG 15 HH11 ARG 15 14.261 -0.668 0.830
106 HH12 ARG 15 HH12 ARG 15 15.767 -0.715 1.684
107 HH21 ARG 15 HH21 ARG 15 15.189 2.241 3.401
108 HH22 ARG 15 HH22 ARG 15 16.292 0.932 3.140
109 H VAL 16 H VAL 16 9.657 4.103 6.362
110 HA VAL 16 HA VAL 16 8.603 1.489 6.546
111 HB VAL 16 HB VAL 16 8.042 3.968 8.189
112 HG11 VAL 16 HG21 VAL 16 6.210 2.485 8.582
113 HG12 VAL 16 HG22 VAL 16 7.337 2.211 9.911
114 HG13 VAL 16 HG23 VAL 16 7.260 1.069 8.568
115 HG21 VAL 16 HG31 VAL 16 9.641 2.957 9.747
116 HG22 VAL 16 HG32 VAL 16 10.394 3.144 8.162
117 HG23 VAL 16 HG33 VAL 16 9.821 1.560 8.685
118 H CYS 17 H CYS 17 6.986 4.622 6.001
119 HA CYS 17 HA CYS 17 4.774 5.093 5.482
120 HB2 CYS 17 HB3 CYS 17 5.521 2.939 3.495
121 HB3 CYS 17 HB2 CYS 17 4.074 3.940 3.363
Start of MODEL 5
1 H GLY 1 H GLY 1 9.741 13.256 1.416
2 HA2 GLY 1 HA3 GLY 1 11.950 12.989 0.833
3 HA3 GLY 1 HA2 GLY 1 12.016 11.469 1.713
4 H ARG 2 H ARG 2 11.015 9.596 0.730
5 HA ARG 2 HA ARG 2 11.753 9.171 -1.889
6 HB2 ARG 2 HB3 ARG 2 9.945 7.204 -1.615
7 HB3 ARG 2 HB2 ARG 2 11.486 7.171 -0.761
8 HG2 ARG 2 HG3 ARG 2 9.138 8.551 0.520
9 HG3 ARG 2 HG2 ARG 2 9.225 6.796 0.562
10 HD2 ARG 2 HD3 ARG 2 11.731 8.215 1.340
11 HD3 ARG 2 HD2 ARG 2 10.374 8.365 2.465
12 HE ARG 2 HE ARG 2 10.380 5.730 2.061
13 HH11 ARG 2 HH11 ARG 2 11.717 4.188 3.045
14 HH12 ARG 2 HH12 ARG 2 13.303 4.636 3.580
15 HH21 ARG 2 HH21 ARG 2 13.012 7.935 2.565
16 HH22 ARG 2 HH22 ARG 2 14.033 6.752 3.309
17 HA PRO 3 HA PRO 3 8.599 11.005 -4.374
18 HB2 PRO 3 HB3 PRO 3 8.458 9.226 -6.481
19 HB3 PRO 3 HB2 PRO 3 9.795 10.372 -6.250
20 HG2 PRO 3 HG3 PRO 3 9.651 7.474 -5.518
21 HG3 PRO 3 HG2 PRO 3 10.970 8.375 -6.288
22 HD2 PRO 3 HD3 PRO 3 11.027 7.791 -3.641
23 HD3 PRO 3 HD2 PRO 3 11.683 9.319 -4.272
24 H ASN 4 H ASN 4 6.704 10.897 -3.191
25 HA ASN 4 HA ASN 4 4.635 9.220 -4.131
26 HB2 ASN 4 HB3 ASN 4 5.977 7.604 -2.651
27 HB3 ASN 4 HB2 ASN 4 5.414 8.569 -1.290
28 HD21 ASN 4 HD21 ASN 4 3.317 8.131 -0.516
29 HD22 ASN 4 HD22 ASN 4 2.203 7.122 -1.304
30 H TRP 5 H TRP 5 3.783 9.306 -1.048
31 HA TRP 5 HA TRP 5 3.330 12.120 -0.606
32 HB2 TRP 5 HB3 TRP 5 0.847 11.941 -0.703
33 HB3 TRP 5 HB2 TRP 5 1.608 11.746 -2.282
34 HD1 TRP 5 HD1 TRP 5 1.801 9.233 -3.249
35 HE1 TRP 5 HE1 TRP 5 0.338 7.154 -2.822
36 HE3 TRP 5 HE3 TRP 5 -0.601 10.703 1.012
37 HZ2 TRP 5 HZ2 TRP 5 -1.596 6.236 -0.926
38 HZ3 TRP 5 HZ3 TRP 5 -2.248 9.209 2.106
39 HH2 TRP 5 HH2 TRP 5 -2.748 6.978 1.143
40 H GLY 6 H GLY 6 4.085 11.911 1.453
41 HA2 GLY 6 HA3 GLY 6 2.415 10.359 3.331
42 HA3 GLY 6 HA2 GLY 6 4.155 10.134 3.353
43 H PHE 7 H PHE 7 4.121 10.848 5.538
44 HA PHE 7 HA PHE 7 3.197 13.402 6.317
45 HB2 PHE 7 HB3 PHE 7 5.191 11.504 7.545
46 HB3 PHE 7 HB2 PHE 7 4.762 13.037 8.286
47 HD1 PHE 7 HD1 PHE 7 3.087 10.029 6.765
48 HD2 PHE 7 HD3 PHE 7 2.976 13.071 9.800
49 HE1 PHE 7 HE1 PHE 7 1.059 8.988 7.738
50 HE2 PHE 7 HE2 PHE 7 0.945 12.032 10.765
51 HZ PHE 7 HZ PHE 7 -0.013 9.990 9.735
52 H GLU 8 H GLU 8 6.387 12.270 5.124
53 HA GLU 8 HA GLU 8 7.656 14.759 5.691
54 HB2 GLU 8 HB3 GLU 8 9.427 14.002 4.164
55 HB3 GLU 8 HB2 GLU 8 9.040 12.805 5.397
56 HG2 GLU 8 HG3 GLU 8 7.873 11.443 3.826
57 HG3 GLU 8 HG2 GLU 8 7.808 12.731 2.635
58 H ASN 9 H ASN 9 8.141 16.500 4.362
59 HA ASN 9 HA ASN 9 7.591 18.099 2.781
60 HB2 ASN 9 HB3 ASN 9 9.153 16.859 1.487
61 HB3 ASN 9 HB2 ASN 9 8.003 15.563 1.211
62 HD21 ASN 9 HD21 ASN 9 6.423 15.823 -0.485
63 HD22 ASN 9 HD22 ASN 9 6.497 17.131 -1.574
64 H ASP 10 H ASP 10 5.364 16.147 3.875
65 HA ASP 10 HA ASP 10 3.125 15.731 3.484
66 HB2 ASP 10 HB3 ASP 10 1.831 17.732 3.112
67 HB3 ASP 10 HB2 ASP 10 3.198 18.139 4.146
68 H TRP 11 H TRP 11 5.098 15.344 1.157
69 HA TRP 11 HA TRP 11 3.056 14.709 -0.790
70 HB2 TRP 11 HB3 TRP 11 4.465 17.174 -1.059
71 HB3 TRP 11 HB2 TRP 11 5.114 16.101 -2.294
72 HD1 TRP 11 HD1 TRP 11 2.760 14.540 -3.329
73 HE1 TRP 11 HE1 TRP 11 0.740 15.661 -4.470
74 HE3 TRP 11 HE3 TRP 11 3.206 19.273 -1.465
75 HZ2 TRP 11 HZ2 TRP 11 -0.521 18.224 -4.579
76 HZ3 TRP 11 HZ3 TRP 11 1.583 21.032 -2.104
77 HH2 TRP 11 HH2 TRP 11 -0.279 20.515 -3.658
78 H SER 12 H SER 12 5.299 13.513 0.931
79 HA SER 12 HA SER 12 6.204 11.653 -1.140
80 HB2 SER 12 HB3 SER 12 8.024 13.410 0.450
81 HB3 SER 12 HB2 SER 12 8.552 11.787 0.052
82 HG SER 12 HG SER 12 8.250 13.997 -1.530
83 H CYS 13 H CYS 13 6.759 9.595 -0.328
84 HA CYS 13 HA CYS 13 5.314 8.764 1.957
85 HB2 CYS 13 HB3 CYS 13 7.088 7.515 -0.050
86 HB3 CYS 13 HB2 CYS 13 7.087 6.699 1.512
87 H VAL 14 H VAL 14 6.093 7.978 3.985
88 HA VAL 14 HA VAL 14 8.315 9.516 5.019
89 HB VAL 14 HB VAL 14 6.851 7.374 6.547
90 HG11 VAL 14 HG11 VAL 14 7.896 10.104 7.365
91 HG12 VAL 14 HG12 VAL 14 8.828 8.610 7.516
92 HG13 VAL 14 HG13 VAL 14 7.335 8.814 8.433
93 HG21 VAL 14 HG21 VAL 14 5.888 10.143 5.798
94 HG22 VAL 14 HG22 VAL 14 5.230 9.221 7.152
95 HG23 VAL 14 HG23 VAL 14 5.073 8.607 5.507
96 H ARG 15 H ARG 15 7.565 6.078 4.542
97 HA ARG 15 HA ARG 15 10.454 5.480 4.509
98 HB2 ARG 15 HB3 ARG 15 8.372 4.106 6.214
99 HB3 ARG 15 HB2 ARG 15 9.946 3.396 5.847
100 HG2 ARG 15 HG3 ARG 15 11.073 5.330 6.835
101 HG3 ARG 15 HG2 ARG 15 9.515 6.088 7.153
102 HD2 ARG 15 HD3 ARG 15 8.901 4.252 8.655
103 HD3 ARG 15 HD2 ARG 15 10.424 3.441 8.305
104 HE ARG 15 HE ARG 15 11.530 4.987 9.676
105 HH11 ARG 15 HH11 ARG 15 11.517 6.615 11.259
106 HH12 ARG 15 HH12 ARG 15 10.074 7.528 11.545
107 HH21 ARG 15 HH21 ARG 15 8.226 5.867 9.126
108 HH22 ARG 15 HH22 ARG 15 8.211 7.103 10.338
109 H VAL 16 H VAL 16 7.784 3.236 4.669
110 HA VAL 16 HA VAL 16 8.302 2.397 1.870
111 HB VAL 16 HB VAL 16 7.306 0.150 2.897
112 HG11 VAL 16 HG21 VAL 16 9.571 0.399 1.950
113 HG12 VAL 16 HG22 VAL 16 9.614 -0.560 3.429
114 HG13 VAL 16 HG23 VAL 16 10.125 1.128 3.458
115 HG21 VAL 16 HG31 VAL 16 8.595 1.464 5.317
116 HG22 VAL 16 HG32 VAL 16 7.862 -0.141 5.243
117 HG23 VAL 16 HG33 VAL 16 6.850 1.296 5.105
118 H CYS 17 H CYS 17 6.215 4.169 3.494
119 HA CYS 17 HA CYS 17 4.048 4.820 3.115
120 HB2 CYS 17 HB3 CYS 17 3.869 2.811 0.874
121 HB3 CYS 17 HB2 CYS 17 3.056 4.366 1.034
Start of MODEL 6
1 H GLY 1 H GLY 1 9.646 11.812 0.845
2 HA2 GLY 1 HA3 GLY 1 12.157 11.858 0.424
3 HA3 GLY 1 HA2 GLY 1 12.135 10.298 1.235
4 H ARG 2 H ARG 2 9.248 10.403 -0.268
5 HA ARG 2 HA ARG 2 10.236 9.367 -2.857
6 HB2 ARG 2 HB3 ARG 2 8.093 8.135 -1.116
7 HB3 ARG 2 HB2 ARG 2 8.528 7.602 -2.735
8 HG2 ARG 2 HG3 ARG 2 9.971 6.176 -1.659
9 HG3 ARG 2 HG2 ARG 2 11.001 7.594 -1.505
10 HD2 ARG 2 HD3 ARG 2 10.866 6.757 0.695
11 HD3 ARG 2 HD2 ARG 2 9.686 8.063 0.678
12 HE ARG 2 HE ARG 2 8.038 6.478 1.030
13 HH11 ARG 2 HH11 ARG 2 7.228 4.359 1.179
14 HH12 ARG 2 HH12 ARG 2 8.203 3.026 0.661
15 HH21 ARG 2 HH21 ARG 2 10.902 5.006 -0.243
16 HH22 ARG 2 HH22 ARG 2 10.283 3.391 -0.143
17 HA PRO 3 HA PRO 3 7.244 12.824 -3.665
18 HB2 PRO 3 HB3 PRO 3 8.156 12.024 -6.412
19 HB3 PRO 3 HB2 PRO 3 7.910 13.647 -5.733
20 HG2 PRO 3 HG3 PRO 3 10.352 12.639 -5.986
21 HG3 PRO 3 HG2 PRO 3 9.906 13.610 -4.572
22 HD2 PRO 3 HD3 PRO 3 10.322 10.658 -4.762
23 HD3 PRO 3 HD2 PRO 3 10.587 11.744 -3.383
24 H ASN 4 H ASN 4 5.504 11.434 -2.952
25 HA ASN 4 HA ASN 4 3.793 10.617 -5.128
26 HB2 ASN 4 HB3 ASN 4 4.892 8.554 -3.210
27 HB3 ASN 4 HB2 ASN 4 3.472 8.295 -4.220
28 HD21 ASN 4 HD21 ASN 4 6.615 7.470 -4.174
29 HD22 ASN 4 HD22 ASN 4 6.970 7.496 -5.834
30 H TRP 5 H TRP 5 3.747 12.529 -2.923
31 HA TRP 5 HA TRP 5 2.321 13.316 -1.298
32 HB2 TRP 5 HB3 TRP 5 0.737 12.835 -3.243
33 HB3 TRP 5 HB2 TRP 5 0.315 11.342 -2.402
34 HD1 TRP 5 HD1 TRP 5 -0.490 11.738 0.261
35 HE1 TRP 5 HE1 TRP 5 -2.039 13.583 1.180
36 HE3 TRP 5 HE3 TRP 5 -0.122 15.157 -3.513
37 HZ2 TRP 5 HZ2 TRP 5 -2.997 16.168 0.414
38 HZ3 TRP 5 HZ3 TRP 5 -1.362 17.299 -3.394
39 HH2 TRP 5 HH2 TRP 5 -2.798 17.809 -1.437
40 H GLY 6 H GLY 6 3.280 12.573 0.584
41 HA2 GLY 6 HA3 GLY 6 1.896 10.410 1.966
42 HA3 GLY 6 HA2 GLY 6 3.596 10.140 1.675
43 H PHE 7 H PHE 7 4.404 10.284 3.704
44 HA PHE 7 HA PHE 7 3.551 12.332 5.550
45 HB2 PHE 7 HB3 PHE 7 5.657 10.180 5.651
46 HB3 PHE 7 HB2 PHE 7 5.395 11.323 6.963
47 HD1 PHE 7 HD1 PHE 7 3.277 11.336 8.225
48 HD2 PHE 7 HD3 PHE 7 4.045 8.442 5.147
49 HE1 PHE 7 HE1 PHE 7 1.390 9.957 9.053
50 HE2 PHE 7 HE2 PHE 7 2.156 7.061 5.974
51 HZ PHE 7 HZ PHE 7 0.829 7.820 7.927
52 H GLU 8 H GLU 8 6.947 11.521 4.841
53 HA GLU 8 HA GLU 8 8.022 13.974 5.485
54 HB2 GLU 8 HB3 GLU 8 9.850 13.339 3.756
55 HB3 GLU 8 HB2 GLU 8 9.584 12.251 5.121
56 HG2 GLU 8 HG3 GLU 8 8.331 10.738 3.800
57 HG3 GLU 8 HG2 GLU 8 8.177 11.897 2.493
58 H ASN 9 H ASN 9 8.956 15.668 4.090
59 HA ASN 9 HA ASN 9 8.658 17.397 2.594
60 HB2 ASN 9 HB3 ASN 9 9.413 15.743 0.975
61 HB3 ASN 9 HB2 ASN 9 7.791 15.084 0.860
62 HD21 ASN 9 HD21 ASN 9 6.453 15.932 -0.741
63 HD22 ASN 9 HD22 ASN 9 6.775 17.388 -1.567
64 H ASP 10 H ASP 10 6.264 15.915 4.084
65 HA ASP 10 HA ASP 10 4.027 16.308 4.417
66 HB2 ASP 10 HB3 ASP 10 4.804 18.899 3.057
67 HB3 ASP 10 HB2 ASP 10 3.190 18.591 3.689
68 H TRP 11 H TRP 11 5.308 15.427 1.670
69 HA TRP 11 HA TRP 11 2.770 14.846 0.442
70 HB2 TRP 11 HB3 TRP 11 4.672 16.776 -0.878
71 HB3 TRP 11 HB2 TRP 11 3.478 15.856 -1.785
72 HD1 TRP 11 HD1 TRP 11 0.883 16.062 -0.511
73 HE1 TRP 11 HE1 TRP 11 -0.273 18.266 0.163
74 HE3 TRP 11 HE3 TRP 11 4.942 19.151 -0.279
75 HZ2 TRP 11 HZ2 TRP 11 0.433 20.980 0.727
76 HZ3 TRP 11 HZ3 TRP 11 4.673 21.538 0.328
77 HH2 TRP 11 HH2 TRP 11 2.425 22.456 0.832
78 H SER 12 H SER 12 5.129 13.418 1.517
79 HA SER 12 HA SER 12 5.407 11.568 -0.707
80 HB2 SER 12 HB3 SER 12 7.833 12.866 0.532
81 HB3 SER 12 HB2 SER 12 7.873 11.492 -0.548
82 HG SER 12 HG SER 12 7.446 14.164 -1.057
83 H CYS 13 H CYS 13 5.942 9.472 -0.019
84 HA CYS 13 HA CYS 13 5.227 8.885 2.691
85 HB2 CYS 13 HB3 CYS 13 4.578 7.218 1.176
86 HB3 CYS 13 HB2 CYS 13 6.108 7.273 0.306
87 H VAL 14 H VAL 14 6.639 7.523 4.115
88 HA VAL 14 HA VAL 14 9.337 8.684 4.252
89 HB VAL 14 HB VAL 14 9.197 7.217 6.508
90 HG11 VAL 14 HG11 VAL 14 7.934 9.887 5.916
91 HG12 VAL 14 HG12 VAL 14 9.488 9.554 6.672
92 HG13 VAL 14 HG13 VAL 14 7.992 9.236 7.550
93 HG21 VAL 14 HG21 VAL 14 6.992 6.230 5.748
94 HG22 VAL 14 HG22 VAL 14 6.289 7.837 5.925
95 HG23 VAL 14 HG23 VAL 14 6.942 7.002 7.333
96 H ARG 15 H ARG 15 10.661 6.644 5.618
97 HA ARG 15 HA ARG 15 11.702 5.090 3.553
98 HB2 ARG 15 HB3 ARG 15 11.690 4.664 6.547
99 HB3 ARG 15 HB2 ARG 15 12.599 3.642 5.433
100 HG2 ARG 15 HG3 ARG 15 13.823 5.587 4.600
101 HG3 ARG 15 HG2 ARG 15 12.881 6.646 5.647
102 HD2 ARG 15 HD3 ARG 15 14.587 4.372 6.680
103 HD3 ARG 15 HD2 ARG 15 15.159 6.032 6.553
104 HE ARG 15 HE ARG 15 12.763 6.103 7.987
105 HH11 ARG 15 HH11 ARG 15 12.812 6.187 10.259
106 HH12 ARG 15 HH12 ARG 15 14.209 5.616 11.110
107 HH21 ARG 15 HH21 ARG 15 15.930 4.739 8.229
108 HH22 ARG 15 HH22 ARG 15 15.976 4.796 9.958
109 H VAL 16 H VAL 16 9.214 4.296 5.953
110 HA VAL 16 HA VAL 16 8.372 2.023 4.250
111 HB VAL 16 HB VAL 16 8.304 1.897 7.261
112 HG11 VAL 16 HG21 VAL 16 8.459 -0.235 5.107
113 HG12 VAL 16 HG22 VAL 16 6.970 0.286 5.896
114 HG13 VAL 16 HG23 VAL 16 8.234 -0.507 6.835
115 HG21 VAL 16 HG31 VAL 16 10.452 0.611 7.092
116 HG22 VAL 16 HG32 VAL 16 10.640 2.319 6.694
117 HG23 VAL 16 HG33 VAL 16 10.577 1.114 5.407
118 H CYS 17 H CYS 17 6.246 1.988 3.829
119 HA CYS 17 HA CYS 17 4.254 2.916 5.656
120 HB2 CYS 17 HB3 CYS 17 3.460 4.855 4.494
121 HB3 CYS 17 HB2 CYS 17 5.187 5.090 4.766
Start of MODEL 7
1 H GLY 1 H GLY 1 11.392 11.325 1.546
2 HA2 GLY 1 HA3 GLY 1 12.283 11.757 0.761
3 HA3 GLY 1 HA2 GLY 1 12.338 10.397 1.914
4 H ARG 2 H ARG 2 9.773 10.977 -0.465
5 HA ARG 2 HA ARG 2 10.827 9.192 -2.404
6 HB2 ARG 2 HB3 ARG 2 8.929 7.439 -1.980
7 HB3 ARG 2 HB2 ARG 2 10.396 7.358 -1.013
8 HG2 ARG 2 HG3 ARG 2 9.210 8.736 0.735
9 HG3 ARG 2 HG2 ARG 2 7.742 8.586 -0.224
10 HD2 ARG 2 HD3 ARG 2 9.352 6.215 0.741
11 HD3 ARG 2 HD2 ARG 2 8.004 6.897 1.633
12 HE ARG 2 HE ARG 2 6.527 6.056 0.005
13 HH11 ARG 2 HH11 ARG 2 6.068 4.607 -1.680
14 HH12 ARG 2 HH12 ARG 2 7.363 3.940 -2.617
15 HH21 ARG 2 HH21 ARG 2 9.846 5.630 -0.888
16 HH22 ARG 2 HH22 ARG 2 9.499 4.518 -2.168
17 HA PRO 3 HA PRO 3 7.791 11.195 -4.918
18 HB2 PRO 3 HB3 PRO 3 6.919 9.058 -6.513
19 HB3 PRO 3 HB2 PRO 3 8.389 10.009 -6.801
20 HG2 PRO 3 HG3 PRO 3 8.090 7.371 -5.421
21 HG3 PRO 3 HG2 PRO 3 9.328 7.906 -6.575
22 HD2 PRO 3 HD3 PRO 3 9.883 7.838 -3.970
23 HD3 PRO 3 HD2 PRO 3 10.460 9.190 -4.962
24 H ASN 4 H ASN 4 5.471 11.161 -5.527
25 HA ASN 4 HA ASN 4 3.230 10.833 -5.132
26 HB2 ASN 4 HB3 ASN 4 4.039 8.344 -4.909
27 HB3 ASN 4 HB2 ASN 4 3.822 8.616 -3.182
28 HD21 ASN 4 HD21 ASN 4 1.881 7.561 -2.712
29 HD22 ASN 4 HD22 ASN 4 0.424 7.825 -3.541
30 H TRP 5 H TRP 5 1.678 11.371 -3.467
31 HA TRP 5 HA TRP 5 2.787 13.111 -1.467
32 HB2 TRP 5 HB3 TRP 5 -0.078 12.178 -1.648
33 HB3 TRP 5 HB2 TRP 5 0.533 13.692 -0.980
34 HD1 TRP 5 HD1 TRP 5 2.630 13.899 -3.629
35 HE1 TRP 5 HE1 TRP 5 1.622 14.899 -5.775
36 HE3 TRP 5 HE3 TRP 5 -2.350 13.294 -2.639
37 HZ2 TRP 5 HZ2 TRP 5 -0.941 15.380 -6.925
38 HZ3 TRP 5 HZ3 TRP 5 -4.050 14.033 -4.285
39 HH2 TRP 5 HH2 TRP 5 -3.351 15.075 -6.425
40 H GLY 6 H GLY 6 3.199 12.696 0.641
41 HA2 GLY 6 HA3 GLY 6 1.886 10.513 2.051
42 HA3 GLY 6 HA2 GLY 6 3.596 10.292 1.801
43 H PHE 7 H PHE 7 4.415 10.585 3.808
44 HA PHE 7 HA PHE 7 3.474 12.732 5.531
45 HB2 PHE 7 HB3 PHE 7 5.590 10.613 5.874
46 HB3 PHE 7 HB2 PHE 7 5.145 11.788 7.107
47 HD1 PHE 7 HD1 PHE 7 2.771 11.858 7.956
48 HD2 PHE 7 HD3 PHE 7 4.247 8.681 5.471
49 HE1 PHE 7 HE1 PHE 7 0.857 10.436 8.638
50 HE2 PHE 7 HE2 PHE 7 2.333 7.260 6.152
51 HZ PHE 7 HZ PHE 7 0.637 8.137 7.734
52 H GLU 8 H GLU 8 6.861 11.763 5.161
53 HA GLU 8 HA GLU 8 8.011 14.199 5.628
54 HB2 GLU 8 HB3 GLU 8 9.881 13.390 4.054
55 HB3 GLU 8 HB2 GLU 8 9.487 12.368 5.437
56 HG2 GLU 8 HG3 GLU 8 8.233 10.868 4.093
57 HG3 GLU 8 HG2 GLU 8 8.226 11.992 2.750
58 H ASN 9 H ASN 9 9.031 15.787 4.201
59 HA ASN 9 HA ASN 9 8.837 17.448 2.618
60 HB2 ASN 9 HB3 ASN 9 9.741 15.752 1.139
61 HB3 ASN 9 HB2 ASN 9 8.148 15.049 0.936
62 HD21 ASN 9 HD21 ASN 9 6.860 15.825 -0.758
63 HD22 ASN 9 HD22 ASN 9 7.235 17.229 -1.652
64 H ASP 10 H ASP 10 6.349 16.175 4.049
65 HA ASP 10 HA ASP 10 4.094 16.645 4.174
66 HB2 ASP 10 HB3 ASP 10 4.880 19.002 2.432
67 HB3 ASP 10 HB2 ASP 10 3.365 18.836 3.311
68 H TRP 11 H TRP 11 5.532 15.464 1.599
69 HA TRP 11 HA TRP 11 3.058 14.761 0.304
70 HB2 TRP 11 HB3 TRP 11 5.065 16.518 -1.116
71 HB3 TRP 11 HB2 TRP 11 3.885 15.531 -1.971
72 HD1 TRP 11 HD1 TRP 11 1.235 15.937 -0.929
73 HE1 TRP 11 HE1 TRP 11 0.110 18.218 -0.503
74 HE3 TRP 11 HE3 TRP 11 5.369 18.920 -0.648
75 HZ2 TRP 11 HZ2 TRP 11 0.865 20.947 -0.095
76 HZ3 TRP 11 HZ3 TRP 11 5.139 21.353 -0.239
77 HH2 TRP 11 HH2 TRP 11 2.894 22.371 0.037
78 H SER 12 H SER 12 5.163 13.343 1.688
79 HA SER 12 HA SER 12 5.640 11.324 -0.316
80 HB2 SER 12 HB3 SER 12 7.891 12.904 0.849
81 HB3 SER 12 HB2 SER 12 8.133 11.301 0.200
82 HG SER 12 HG SER 12 8.408 13.224 -1.230
83 H CYS 13 H CYS 13 5.855 9.319 0.584
84 HA CYS 13 HA CYS 13 5.045 9.030 3.293
85 HB2 CYS 13 HB3 CYS 13 5.635 7.246 1.014
86 HB3 CYS 13 HB2 CYS 13 5.944 6.526 2.594
87 H VAL 14 H VAL 14 6.239 7.897 4.984
88 HA VAL 14 HA VAL 14 8.850 8.961 5.372
89 HB VAL 14 HB VAL 14 8.845 7.601 7.430
90 HG11 VAL 14 HG11 VAL 14 6.057 8.702 7.104
91 HG12 VAL 14 HG12 VAL 14 7.454 9.781 7.086
92 HG13 VAL 14 HG13 VAL 14 7.125 8.786 8.505
93 HG21 VAL 14 HG21 VAL 14 6.672 6.277 7.841
94 HG22 VAL 14 HG22 VAL 14 7.839 5.547 6.743
95 HG23 VAL 14 HG23 VAL 14 6.421 6.372 6.098
96 H ARG 15 H ARG 15 9.779 6.369 6.656
97 HA ARG 15 HA ARG 15 11.552 5.529 4.656
98 HB2 ARG 15 HB3 ARG 15 10.609 4.188 7.199
99 HB3 ARG 15 HB2 ARG 15 11.901 3.541 6.185
100 HG2 ARG 15 HG3 ARG 15 13.191 5.584 6.456
101 HG3 ARG 15 HG2 ARG 15 11.879 6.321 7.371
102 HD2 ARG 15 HD3 ARG 15 13.587 5.486 8.911
103 HD3 ARG 15 HD2 ARG 15 12.107 4.550 9.093
104 HE ARG 15 HE ARG 15 13.209 2.692 8.190
105 HH11 ARG 15 HH11 ARG 15 15.103 1.607 7.573
106 HH12 ARG 15 HH12 ARG 15 16.542 2.509 7.234
107 HH21 ARG 15 HH21 ARG 15 15.079 5.588 7.879
108 HH22 ARG 15 HH22 ARG 15 16.528 4.765 7.407
109 H VAL 16 H VAL 16 8.475 4.148 5.776
110 HA VAL 16 HA VAL 16 8.356 2.564 3.275
111 HB VAL 16 HB VAL 16 7.231 1.522 5.870
112 HG11 VAL 16 HG21 VAL 16 6.594 0.517 3.661
113 HG12 VAL 16 HG22 VAL 16 7.428 -0.618 4.720
114 HG13 VAL 16 HG23 VAL 16 8.294 0.140 3.383
115 HG21 VAL 16 HG31 VAL 16 10.067 1.203 4.825
116 HG22 VAL 16 HG32 VAL 16 9.366 0.229 6.118
117 HG23 VAL 16 HG33 VAL 16 9.592 1.967 6.343
118 H CYS 17 H CYS 17 6.592 3.001 2.132
119 HA CYS 17 HA CYS 17 4.438 4.581 3.306
120 HB2 CYS 17 HB3 CYS 17 5.523 4.911 0.971
121 HB3 CYS 17 HB2 CYS 17 4.509 3.564 0.472
Start of MODEL 8
1 H GLY 1 H GLY 1 10.020 11.902 1.235
2 HA2 GLY 1 HA3 GLY 1 12.437 12.586 1.284
3 HA3 GLY 1 HA2 GLY 1 12.346 11.030 2.096
4 H ARG 2 H ARG 2 10.583 9.553 0.942
5 HA ARG 2 HA ARG 2 11.566 9.137 -1.735
6 HB2 ARG 2 HB3 ARG 2 9.724 7.174 -1.425
7 HB3 ARG 2 HB2 ARG 2 11.341 7.071 -0.731
8 HG2 ARG 2 HG3 ARG 2 9.176 8.420 0.867
9 HG3 ARG 2 HG2 ARG 2 9.180 6.663 0.773
10 HD2 ARG 2 HD3 ARG 2 11.724 8.114 1.471
11 HD3 ARG 2 HD2 ARG 2 10.502 7.844 2.712
12 HE ARG 2 HE ARG 2 10.764 5.372 1.713
13 HH11 ARG 2 HH11 ARG 2 12.365 3.860 2.272
14 HH12 ARG 2 HH12 ARG 2 13.913 4.408 2.826
15 HH21 ARG 2 HH21 ARG 2 13.111 7.770 2.569
16 HH22 ARG 2 HH22 ARG 2 14.333 6.619 2.993
17 HA PRO 3 HA PRO 3 8.282 10.987 -4.048
18 HB2 PRO 3 HB3 PRO 3 7.823 9.089 -6.016
19 HB3 PRO 3 HB2 PRO 3 9.209 10.199 -6.016
20 HG2 PRO 3 HG3 PRO 3 9.071 7.358 -5.084
21 HG3 PRO 3 HG2 PRO 3 10.318 8.161 -6.060
22 HD2 PRO 3 HD3 PRO 3 10.701 7.745 -3.426
23 HD3 PRO 3 HD2 PRO 3 11.263 9.244 -4.202
24 H ASN 4 H ASN 4 5.993 10.594 -4.842
25 HA ASN 4 HA ASN 4 3.865 9.699 -4.653
26 HB2 ASN 4 HB3 ASN 4 5.237 7.449 -4.290
27 HB3 ASN 4 HB2 ASN 4 4.719 7.657 -2.621
28 HD21 ASN 4 HD21 ASN 4 3.484 7.299 -5.959
29 HD22 ASN 4 HD22 ASN 4 1.945 6.751 -5.499
30 H TRP 5 H TRP 5 2.620 11.084 -3.612
31 HA TRP 5 HA TRP 5 3.049 12.609 -1.439
32 HB2 TRP 5 HB3 TRP 5 0.622 12.716 -1.095
33 HB3 TRP 5 HB2 TRP 5 1.017 12.744 -2.814
34 HD1 TRP 5 HD1 TRP 5 -0.715 10.680 -0.176
35 HE1 TRP 5 HE1 TRP 5 -1.820 8.628 -1.280
36 HE3 TRP 5 HE3 TRP 5 1.281 11.022 -4.860
37 HZ2 TRP 5 HZ2 TRP 5 -1.852 7.308 -3.820
38 HZ3 TRP 5 HZ3 TRP 5 0.698 9.359 -6.602
39 HH2 TRP 5 HH2 TRP 5 -0.864 7.504 -6.089
40 H GLY 6 H GLY 6 3.602 12.240 0.617
41 HA2 GLY 6 HA3 GLY 6 2.313 10.089 2.146
42 HA3 GLY 6 HA2 GLY 6 4.054 10.040 2.020
43 H PHE 7 H PHE 7 4.551 10.455 4.142
44 HA PHE 7 HA PHE 7 3.298 12.607 5.603
45 HB2 PHE 7 HB3 PHE 7 5.533 10.690 6.233
46 HB3 PHE 7 HB2 PHE 7 5.015 11.949 7.348
47 HD1 PHE 7 HD1 PHE 7 4.136 8.768 5.759
48 HD2 PHE 7 HD3 PHE 7 2.760 11.913 8.339
49 HE1 PHE 7 HE1 PHE 7 2.272 7.322 6.526
50 HE2 PHE 7 HE2 PHE 7 0.895 10.469 9.106
51 HZ PHE 7 HZ PHE 7 0.652 8.173 8.200
52 H GLU 8 H GLU 8 6.823 12.021 5.220
53 HA GLU 8 HA GLU 8 7.645 14.589 5.817
54 HB2 GLU 8 HB3 GLU 8 9.642 14.064 4.283
55 HB3 GLU 8 HB2 GLU 8 9.346 12.950 5.623
56 HG2 GLU 8 HG3 GLU 8 8.256 11.392 4.187
57 HG3 GLU 8 HG2 GLU 8 8.227 12.534 2.858
58 H ASN 9 H ASN 9 8.284 16.400 4.565
59 HA ASN 9 HA ASN 9 7.892 18.036 2.991
60 HB2 ASN 9 HB3 ASN 9 9.292 16.654 1.606
61 HB3 ASN 9 HB2 ASN 9 7.964 15.554 1.265
62 HD21 ASN 9 HD21 ASN 9 6.427 16.144 -0.374
63 HD22 ASN 9 HD22 ASN 9 6.633 17.544 -1.326
64 H ASP 10 H ASP 10 5.614 16.102 4.083
65 HA ASP 10 HA ASP 10 3.327 15.992 3.940
66 HB2 ASP 10 HB3 ASP 10 3.814 18.704 2.694
67 HB3 ASP 10 HB2 ASP 10 2.203 18.065 3.008
68 H TRP 11 H TRP 11 5.291 15.574 1.412
69 HA TRP 11 HA TRP 11 3.102 14.638 -0.290
70 HB2 TRP 11 HB3 TRP 11 4.280 17.025 -0.953
71 HB3 TRP 11 HB2 TRP 11 5.310 15.901 -1.831
72 HD1 TRP 11 HD1 TRP 11 4.410 14.889 -3.999
73 HE1 TRP 11 HE1 TRP 11 2.170 15.011 -5.268
74 HE3 TRP 11 HE3 TRP 11 1.540 17.250 -0.497
75 HZ2 TRP 11 HZ2 TRP 11 -0.486 15.980 -4.853
76 HZ3 TRP 11 HZ3 TRP 11 -0.839 17.761 -0.961
77 HH2 TRP 11 HH2 TRP 11 -1.855 17.130 -3.132
78 H SER 12 H SER 12 5.313 13.552 1.486
79 HA SER 12 HA SER 12 6.018 11.400 -0.322
80 HB2 SER 12 HB3 SER 12 7.968 12.525 -0.842
81 HB3 SER 12 HB2 SER 12 8.048 13.302 0.723
82 HG SER 12 HG SER 12 8.121 10.613 0.950
83 H CYS 13 H CYS 13 6.762 9.572 0.725
84 HA CYS 13 HA CYS 13 5.704 9.265 3.414
85 HB2 CYS 13 HB3 CYS 13 7.123 7.136 1.813
86 HB3 CYS 13 HB2 CYS 13 5.887 6.935 3.054
87 H VAL 14 H VAL 14 6.964 8.200 5.128
88 HA VAL 14 HA VAL 14 9.606 9.375 5.347
89 HB VAL 14 HB VAL 14 9.517 8.073 7.608
90 HG11 VAL 14 HG11 VAL 14 9.253 10.410 7.719
91 HG12 VAL 14 HG12 VAL 14 7.768 9.810 8.453
92 HG13 VAL 14 HG13 VAL 14 7.759 10.383 6.787
93 HG21 VAL 14 HG21 VAL 14 7.618 6.610 6.718
94 HG22 VAL 14 HG22 VAL 14 6.574 8.020 6.896
95 HG23 VAL 14 HG23 VAL 14 7.357 7.320 8.312
96 H ARG 15 H ARG 15 8.205 6.139 5.001
97 HA ARG 15 HA ARG 15 10.816 5.129 4.114
98 HB2 ARG 15 HB3 ARG 15 10.451 4.685 6.630
99 HB3 ARG 15 HB2 ARG 15 9.198 3.558 6.119
100 HG2 ARG 15 HG3 ARG 15 11.041 2.133 6.219
101 HG3 ARG 15 HG2 ARG 15 11.106 2.623 4.528
102 HD2 ARG 15 HD3 ARG 15 12.729 4.427 5.169
103 HD3 ARG 15 HD2 ARG 15 12.711 3.808 6.816
104 HE ARG 15 HE ARG 15 13.341 1.701 5.032
105 HH11 ARG 15 HH11 ARG 15 15.515 1.059 4.846
106 HH12 ARG 15 HH12 ARG 15 16.776 2.130 5.360
107 HH21 ARG 15 HH21 ARG 15 14.601 4.644 6.346
108 HH22 ARG 15 HH22 ARG 15 16.258 4.160 6.209
109 H VAL 16 H VAL 16 7.598 3.809 4.941
110 HA VAL 16 HA VAL 16 7.377 2.777 2.160
111 HB VAL 16 HB VAL 16 6.565 1.481 4.775
112 HG11 VAL 16 HG21 VAL 16 5.842 0.821 1.916
113 HG12 VAL 16 HG22 VAL 16 4.761 1.014 3.296
114 HG13 VAL 16 HG23 VAL 16 5.815 -0.397 3.191
115 HG21 VAL 16 HG31 VAL 16 8.482 0.726 2.552
116 HG22 VAL 16 HG32 VAL 16 8.031 -0.351 3.873
117 HG23 VAL 16 HG33 VAL 16 8.901 1.145 4.212
118 H CYS 17 H CYS 17 5.573 3.359 1.094
119 HA CYS 17 HA CYS 17 3.653 5.088 2.429
120 HB2 CYS 17 HB3 CYS 17 3.569 4.137 -0.437
121 HB3 CYS 17 HB2 CYS 17 2.826 5.582 0.252
Start of MODEL 9
1 H GLY 1 H GLY 1 9.791 13.656 0.923
2 HA2 GLY 1 HA3 GLY 1 11.596 13.626 -0.390
3 HA3 GLY 1 HA2 GLY 1 12.233 12.304 0.578
4 H ARG 2 H ARG 2 10.220 10.392 0.167
5 HA ARG 2 HA ARG 2 10.989 9.492 -2.436
6 HB2 ARG 2 HB3 ARG 2 9.123 8.187 -0.465
7 HB3 ARG 2 HB2 ARG 2 9.912 7.423 -1.840
8 HG2 ARG 2 HG3 ARG 2 12.056 7.588 -0.862
9 HG3 ARG 2 HG2 ARG 2 11.529 8.779 0.325
10 HD2 ARG 2 HD3 ARG 2 11.841 6.246 1.026
11 HD3 ARG 2 HD2 ARG 2 10.501 7.187 1.679
12 HE ARG 2 HE ARG 2 9.028 5.916 0.382
13 HH11 ARG 2 HH11 ARG 2 8.553 4.120 -0.923
14 HH12 ARG 2 HH12 ARG 2 9.835 3.281 -1.733
15 HH21 ARG 2 HH21 ARG 2 12.326 5.351 -0.494
16 HH22 ARG 2 HH22 ARG 2 11.972 3.979 -1.490
17 HA PRO 3 HA PRO 3 7.588 10.955 -4.916
18 HB2 PRO 3 HB3 PRO 3 7.347 8.073 -5.729
19 HB3 PRO 3 HB2 PRO 3 7.424 9.526 -6.745
20 HG2 PRO 3 HG3 PRO 3 9.544 7.879 -6.365
21 HG3 PRO 3 HG2 PRO 3 9.713 9.620 -6.662
22 HD2 PRO 3 HD3 PRO 3 10.207 8.123 -4.156
23 HD3 PRO 3 HD2 PRO 3 10.733 9.750 -4.626
24 H ASN 4 H ASN 4 5.232 10.373 -5.382
25 HA ASN 4 HA ASN 4 3.108 9.991 -4.599
26 HB2 ASN 4 HB3 ASN 4 4.428 7.652 -3.198
27 HB3 ASN 4 HB2 ASN 4 2.704 7.846 -3.499
28 HD21 ASN 4 HD21 ASN 4 5.158 6.069 -4.631
29 HD22 ASN 4 HD22 ASN 4 4.780 6.017 -6.285
30 H TRP 5 H TRP 5 2.123 11.232 -3.144
31 HA TRP 5 HA TRP 5 3.173 12.488 -0.976
32 HB2 TRP 5 HB3 TRP 5 0.891 12.676 -0.079
33 HB3 TRP 5 HB2 TRP 5 0.924 12.954 -1.820
34 HD1 TRP 5 HD1 TRP 5 -0.205 11.179 -3.383
35 HE1 TRP 5 HE1 TRP 5 -1.791 9.198 -2.930
36 HE3 TRP 5 HE3 TRP 5 0.310 10.776 1.682
37 HZ2 TRP 5 HZ2 TRP 5 -2.721 7.650 -0.714
38 HZ3 TRP 5 HZ3 TRP 5 -0.938 9.042 2.938
39 HH2 TRP 5 HH2 TRP 5 -2.452 7.480 1.748
40 H GLY 6 H GLY 6 3.737 12.031 1.072
41 HA2 GLY 6 HA3 GLY 6 2.867 9.529 2.339
42 HA3 GLY 6 HA2 GLY 6 4.578 9.728 2.056
43 H PHE 7 H PHE 7 5.324 9.941 4.106
44 HA PHE 7 HA PHE 7 3.984 11.701 5.996
45 HB2 PHE 7 HB3 PHE 7 6.434 9.951 6.136
46 HB3 PHE 7 HB2 PHE 7 5.966 11.026 7.449
47 HD1 PHE 7 HD1 PHE 7 3.989 10.611 8.786
48 HD2 PHE 7 HD3 PHE 7 5.018 8.036 5.506
49 HE1 PHE 7 HE1 PHE 7 2.344 8.936 9.586
50 HE2 PHE 7 HE2 PHE 7 3.371 6.363 6.306
51 HZ PHE 7 HZ PHE 7 2.034 6.812 8.345
52 H GLU 8 H GLU 8 7.358 11.485 4.802
53 HA GLU 8 HA GLU 8 8.256 13.917 5.745
54 HB2 GLU 8 HB3 GLU 8 9.838 13.864 3.805
55 HB3 GLU 8 HB2 GLU 8 9.786 12.366 4.739
56 HG2 GLU 8 HG3 GLU 8 8.382 11.324 3.116
57 HG3 GLU 8 HG2 GLU 8 8.143 12.835 2.256
58 H ASN 9 H ASN 9 8.334 16.020 4.962
59 HA ASN 9 HA ASN 9 7.303 17.900 4.080
60 HB2 ASN 9 HB3 ASN 9 7.459 17.921 1.569
61 HB3 ASN 9 HB2 ASN 9 8.951 17.463 2.388
62 HD21 ASN 9 HD21 ASN 9 6.008 15.892 0.975
63 HD22 ASN 9 HD22 ASN 9 6.849 14.545 0.395
64 H ASP 10 H ASP 10 5.523 15.424 4.603
65 HA ASP 10 HA ASP 10 3.336 14.764 4.223
66 HB2 ASP 10 HB3 ASP 10 3.164 17.077 5.283
67 HB3 ASP 10 HB2 ASP 10 2.872 17.690 3.657
68 H TRP 11 H TRP 11 5.234 15.305 1.812
69 HA TRP 11 HA TRP 11 3.133 14.979 -0.243
70 HB2 TRP 11 HB3 TRP 11 4.072 17.335 -0.258
71 HB3 TRP 11 HB2 TRP 11 5.628 16.633 -0.693
72 HD1 TRP 11 HD1 TRP 11 2.083 17.108 -2.019
73 HE1 TRP 11 HE1 TRP 11 2.098 16.725 -4.567
74 HE3 TRP 11 HE3 TRP 11 6.875 15.460 -2.632
75 HZ2 TRP 11 HZ2 TRP 11 3.906 15.836 -6.599
76 HZ3 TRP 11 HZ3 TRP 11 7.718 14.853 -4.882
77 HH2 TRP 11 HH2 TRP 11 6.241 15.038 -6.864
78 H SER 12 H SER 12 5.372 13.420 1.332
79 HA SER 12 HA SER 12 5.876 11.585 -0.807
80 HB2 SER 12 HB3 SER 12 8.025 13.463 0.045
81 HB3 SER 12 HB2 SER 12 8.481 11.800 -0.273
82 HG SER 12 HG SER 12 6.787 13.058 -2.089
83 H CYS 13 H CYS 13 7.214 9.714 -0.025
84 HA CYS 13 HA CYS 13 6.569 9.159 2.806
85 HB2 CYS 13 HB3 CYS 13 7.559 7.156 0.780
86 HB3 CYS 13 HB2 CYS 13 6.657 6.869 2.263
87 H VAL 14 H VAL 14 8.121 8.345 4.218
88 HA VAL 14 HA VAL 14 10.901 9.074 3.529
89 HB VAL 14 HB VAL 14 10.060 10.221 5.476
90 HG11 VAL 14 HG11 VAL 14 9.516 7.516 6.700
91 HG12 VAL 14 HG12 VAL 14 8.273 8.535 5.974
92 HG13 VAL 14 HG13 VAL 14 9.157 9.100 7.389
93 HG21 VAL 14 HG21 VAL 14 12.416 9.210 5.436
94 HG22 VAL 14 HG22 VAL 14 11.781 7.968 6.516
95 HG23 VAL 14 HG23 VAL 14 11.780 9.658 7.019
96 H ARG 15 H ARG 15 8.814 6.422 4.320
97 HA ARG 15 HA ARG 15 10.835 4.498 3.690
98 HB2 ARG 15 HB3 ARG 15 11.397 5.164 6.081
99 HB3 ARG 15 HB2 ARG 15 9.863 4.429 6.546
100 HG2 ARG 15 HG3 ARG 15 10.569 2.287 5.571
101 HG3 ARG 15 HG2 ARG 15 12.091 3.013 5.051
102 HD2 ARG 15 HD3 ARG 15 12.457 1.807 7.136
103 HD3 ARG 15 HD2 ARG 15 12.614 3.536 7.430
104 HE ARG 15 HE ARG 15 9.938 2.727 7.910
105 HH11 ARG 15 HH11 ARG 15 9.264 2.520 10.069
106 HH12 ARG 15 HH12 ARG 15 10.443 2.342 11.325
107 HH21 ARG 15 HH21 ARG 15 13.152 2.474 9.165
108 HH22 ARG 15 HH22 ARG 15 12.645 2.315 10.814
109 H VAL 16 H VAL 16 7.802 4.900 5.541
110 HA VAL 16 HA VAL 16 6.613 2.720 3.912
111 HB VAL 16 HB VAL 16 6.342 3.201 6.888
112 HG11 VAL 16 HG21 VAL 16 4.147 2.652 6.154
113 HG12 VAL 16 HG22 VAL 16 4.838 1.120 6.690
114 HG13 VAL 16 HG23 VAL 16 4.748 1.495 4.968
115 HG21 VAL 16 HG31 VAL 16 7.362 0.882 5.216
116 HG22 VAL 16 HG32 VAL 16 7.147 0.832 6.966
117 HG23 VAL 16 HG33 VAL 16 8.329 1.931 6.253
118 H CYS 17 H CYS 17 4.686 3.159 3.030
119 HA CYS 17 HA CYS 17 2.775 4.942 4.139
120 HB2 CYS 17 HB3 CYS 17 2.938 6.825 2.717
121 HB3 CYS 17 HB2 CYS 17 4.588 6.519 3.255
Start of MODEL 10
1 H GLY 1 H GLY 1 9.971 9.867 2.116
2 HA2 GLY 1 HA3 GLY 1 12.087 10.797 0.536
3 HA3 GLY 1 HA2 GLY 1 11.700 9.116 0.874
4 H ARG 2 H ARG 2 9.459 8.536 -0.353
5 HA ARG 2 HA ARG 2 10.136 8.597 -3.115
6 HB2 ARG 2 HB3 ARG 2 7.616 7.554 -3.132
7 HB3 ARG 2 HB2 ARG 2 9.043 6.612 -2.710
8 HG2 ARG 2 HG3 ARG 2 7.564 8.182 -0.600
9 HG3 ARG 2 HG2 ARG 2 7.003 6.587 -1.089
10 HD2 ARG 2 HD3 ARG 2 9.905 6.648 -0.545
11 HD3 ARG 2 HD2 ARG 2 8.932 7.070 0.851
12 HE ARG 2 HE ARG 2 7.988 4.914 0.836
13 HH11 ARG 2 HH11 ARG 2 8.106 2.727 0.258
14 HH12 ARG 2 HH12 ARG 2 9.083 2.241 -1.086
15 HH21 ARG 2 HH21 ARG 2 10.136 5.455 -1.834
16 HH22 ARG 2 HH22 ARG 2 10.234 3.783 -2.264
17 HA PRO 3 HA PRO 3 7.946 12.170 -4.510
18 HB2 PRO 3 HB3 PRO 3 6.980 11.309 -6.951
19 HB3 PRO 3 HB2 PRO 3 8.682 11.717 -6.654
20 HG2 PRO 3 HG3 PRO 3 7.365 9.031 -6.682
21 HG3 PRO 3 HG2 PRO 3 8.914 9.531 -7.388
22 HD2 PRO 3 HD3 PRO 3 8.805 8.200 -5.028
23 HD3 PRO 3 HD2 PRO 3 10.028 9.453 -5.336
24 H ASN 4 H ASN 4 6.220 9.144 -4.216
25 HA ASN 4 HA ASN 4 3.604 10.135 -4.768
26 HB2 ASN 4 HB3 ASN 4 4.576 7.730 -3.213
27 HB3 ASN 4 HB2 ASN 4 2.872 8.070 -3.510
28 HD21 ASN 4 HD21 ASN 4 4.225 5.734 -4.570
29 HD22 ASN 4 HD22 ASN 4 4.236 5.875 -6.261
30 H TRP 5 H TRP 5 2.488 11.560 -3.621
31 HA TRP 5 HA TRP 5 3.057 12.937 -1.408
32 HB2 TRP 5 HB3 TRP 5 0.680 13.239 -0.980
33 HB3 TRP 5 HB2 TRP 5 0.967 13.200 -2.719
34 HD1 TRP 5 HD1 TRP 5 0.188 11.038 -4.059
35 HE1 TRP 5 HE1 TRP 5 -1.536 9.204 -3.503
36 HE3 TRP 5 HE3 TRP 5 -0.381 11.847 0.953
37 HZ2 TRP 5 HZ2 TRP 5 -2.968 8.212 -1.237
38 HZ3 TRP 5 HZ3 TRP 5 -1.930 10.443 2.284
39 HH2 TRP 5 HH2 TRP 5 -3.224 8.629 1.196
40 H GLY 6 H GLY 6 3.062 12.745 0.812
41 HA2 GLY 6 HA3 GLY 6 1.907 10.598 2.256
42 HA3 GLY 6 HA2 GLY 6 3.581 10.254 1.946
43 H PHE 7 H PHE 7 4.536 10.504 3.884
44 HA PHE 7 HA PHE 7 3.762 12.655 5.672
45 HB2 PHE 7 HB3 PHE 7 5.745 10.394 5.896
46 HB3 PHE 7 HB2 PHE 7 5.502 11.603 7.153
47 HD1 PHE 7 HD1 PHE 7 3.298 11.832 8.279
48 HD2 PHE 7 HD3 PHE 7 4.110 8.676 5.482
49 HE1 PHE 7 HE1 PHE 7 1.308 10.600 9.094
50 HE2 PHE 7 HE2 PHE 7 2.120 7.442 6.299
51 HZ PHE 7 HZ PHE 7 0.718 8.404 8.105
52 H GLU 8 H GLU 8 6.993 11.615 4.435
53 HA GLU 8 HA GLU 8 8.403 13.831 5.301
54 HB2 GLU 8 HB3 GLU 8 9.956 13.405 3.399
55 HB3 GLU 8 HB2 GLU 8 9.576 11.951 4.325
56 HG2 GLU 8 HG3 GLU 8 8.167 11.122 2.654
57 HG3 GLU 8 HG2 GLU 8 7.950 12.691 1.906
58 H ASN 9 H ASN 9 9.295 15.659 4.058
59 HA ASN 9 HA ASN 9 8.869 17.669 2.983
60 HB2 ASN 9 HB3 ASN 9 9.666 16.395 1.131
61 HB3 ASN 9 HB2 ASN 9 8.151 15.523 0.993
62 HD21 ASN 9 HD21 ASN 9 6.784 16.251 -0.633
63 HD22 ASN 9 HD22 ASN 9 6.837 17.827 -1.285
64 H ASP 10 H ASP 10 6.590 16.226 4.472
65 HA ASP 10 HA ASP 10 4.339 16.526 4.858
66 HB2 ASP 10 HB3 ASP 10 5.303 18.875 5.138
67 HB3 ASP 10 HB2 ASP 10 4.708 19.202 3.511
68 H TRP 11 H TRP 11 5.480 15.825 1.999
69 HA TRP 11 HA TRP 11 2.869 15.485 0.827
70 HB2 TRP 11 HB3 TRP 11 3.531 17.844 0.208
71 HB3 TRP 11 HB2 TRP 11 4.844 17.150 -0.729
72 HD1 TRP 11 HD1 TRP 11 4.303 16.147 -3.040
73 HE1 TRP 11 HE1 TRP 11 2.143 15.904 -4.428
74 HE3 TRP 11 HE3 TRP 11 0.841 17.447 0.480
75 HZ2 TRP 11 HZ2 TRP 11 -0.681 16.221 -4.088
76 HZ3 TRP 11 HZ3 TRP 11 -1.574 17.470 -0.076
77 HH2 TRP 11 HH2 TRP 11 -2.338 16.858 -2.354
78 H SER 12 H SER 12 4.933 13.690 1.684
79 HA SER 12 HA SER 12 5.007 12.011 -0.602
80 HB2 SER 12 HB3 SER 12 7.351 13.697 -0.117
81 HB3 SER 12 HB2 SER 12 7.737 11.988 -0.259
82 HG SER 12 HG SER 12 5.901 12.707 -2.090
83 H CYS 13 H CYS 13 5.673 9.861 -0.086
84 HA CYS 13 HA CYS 13 5.373 9.230 2.732
85 HB2 CYS 13 HB3 CYS 13 5.020 7.846 0.206
86 HB3 CYS 13 HB2 CYS 13 5.994 6.857 1.288
87 H VAL 14 H VAL 14 6.827 7.808 3.880
88 HA VAL 14 HA VAL 14 9.645 8.487 3.339
89 HB VAL 14 HB VAL 14 9.931 7.556 5.703
90 HG11 VAL 14 HG11 VAL 14 8.793 9.620 6.715
91 HG12 VAL 14 HG12 VAL 14 8.229 9.977 5.082
92 HG13 VAL 14 HG13 VAL 14 9.959 9.922 5.425
93 HG21 VAL 14 HG21 VAL 14 7.988 7.227 7.048
94 HG22 VAL 14 HG22 VAL 14 7.681 6.335 5.559
95 HG23 VAL 14 HG23 VAL 14 6.928 7.907 5.812
96 H ARG 15 H ARG 15 10.949 6.454 4.628
97 HA ARG 15 HA ARG 15 11.198 4.459 2.714
98 HB2 ARG 15 HB3 ARG 15 11.792 4.415 5.680
99 HB3 ARG 15 HB2 ARG 15 12.241 3.103 4.589
100 HG2 ARG 15 HG3 ARG 15 13.587 4.612 3.250
101 HG3 ARG 15 HG2 ARG 15 13.053 5.990 4.209
102 HD2 ARG 15 HD3 ARG 15 15.261 5.318 4.970
103 HD3 ARG 15 HD2 ARG 15 14.083 4.938 6.222
104 HE ARG 15 HE ARG 15 14.436 2.687 4.532
105 HH11 ARG 15 HH11 ARG 15 15.695 0.963 5.315
106 HH12 ARG 15 HH12 ARG 15 16.797 1.228 6.624
107 HH21 ARG 15 HH21 ARG 15 16.026 4.594 6.942
108 HH22 ARG 15 HH22 ARG 15 16.985 3.285 7.546
109 H VAL 16 H VAL 16 9.264 4.469 5.686
110 HA VAL 16 HA VAL 16 7.687 2.201 4.604
111 HB VAL 16 HB VAL 16 8.231 2.573 7.546
112 HG11 VAL 16 HG21 VAL 16 6.405 1.040 6.615
113 HG12 VAL 16 HG22 VAL 16 7.579 0.278 7.688
114 HG13 VAL 16 HG23 VAL 16 7.709 0.061 5.943
115 HG21 VAL 16 HG31 VAL 16 9.920 1.124 5.485
116 HG22 VAL 16 HG32 VAL 16 10.054 0.848 7.222
117 HG23 VAL 16 HG33 VAL 16 10.436 2.435 6.545
118 H CYS 17 H CYS 17 5.617 2.729 4.360
119 HA CYS 17 HA CYS 17 4.205 4.285 6.349
120 HB2 CYS 17 HB3 CYS 17 3.616 6.150 5.008
121 HB3 CYS 17 HB2 CYS 17 5.357 5.974 4.801
Start of MODEL 11
1 H GLY 1 H GLY 1 9.633 12.368 0.268
2 HA2 GLY 1 HA3 GLY 1 12.106 12.801 0.134
3 HA3 GLY 1 HA2 GLY 1 11.974 11.120 0.628
4 H ARG 2 H ARG 2 10.579 9.733 -0.640
5 HA ARG 2 HA ARG 2 10.914 10.204 -3.430
6 HB2 ARG 2 HB3 ARG 2 10.182 7.915 -3.747
7 HB3 ARG 2 HB2 ARG 2 11.292 7.974 -2.392
8 HG2 ARG 2 HG3 ARG 2 8.263 8.041 -2.127
9 HG3 ARG 2 HG2 ARG 2 9.237 6.607 -1.943
10 HD2 ARG 2 HD3 ARG 2 10.580 8.164 -0.220
11 HD3 ARG 2 HD2 ARG 2 9.012 8.977 -0.151
12 HE ARG 2 HE ARG 2 8.295 7.193 1.115
13 HH11 ARG 2 HH11 ARG 2 8.386 5.079 1.939
14 HH12 ARG 2 HH12 ARG 2 9.567 3.969 1.329
15 HH21 ARG 2 HH21 ARG 2 10.935 6.240 -0.907
16 HH22 ARG 2 HH22 ARG 2 11.011 4.626 -0.282
17 HA PRO 3 HA PRO 3 7.053 11.939 -4.665
18 HB2 PRO 3 HB3 PRO 3 6.709 9.552 -6.435
19 HB3 PRO 3 HB2 PRO 3 6.641 11.277 -6.840
20 HG2 PRO 3 HG3 PRO 3 8.788 9.646 -7.360
21 HG3 PRO 3 HG2 PRO 3 8.877 11.404 -7.204
22 HD2 PRO 3 HD3 PRO 3 9.960 9.381 -5.408
23 HD3 PRO 3 HD2 PRO 3 10.203 11.135 -5.380
24 H ASN 4 H ASN 4 4.667 11.140 -5.088
25 HA ASN 4 HA ASN 4 2.791 9.976 -4.386
26 HB2 ASN 4 HB3 ASN 4 4.474 8.135 -2.701
27 HB3 ASN 4 HB2 ASN 4 2.958 7.812 -3.522
28 HD21 ASN 4 HD21 ASN 4 6.063 6.893 -3.714
29 HD22 ASN 4 HD22 ASN 4 6.244 6.730 -5.394
30 H TRP 5 H TRP 5 1.970 11.629 -3.164
31 HA TRP 5 HA TRP 5 2.795 12.876 -0.937
32 HB2 TRP 5 HB3 TRP 5 0.377 12.926 -0.180
33 HB3 TRP 5 HB2 TRP 5 0.663 13.448 -1.840
34 HD1 TRP 5 HD1 TRP 5 0.011 11.741 -3.803
35 HE1 TRP 5 HE1 TRP 5 -1.686 9.802 -3.872
36 HE3 TRP 5 HE3 TRP 5 -0.746 11.051 1.203
37 HZ2 TRP 5 HZ2 TRP 5 -3.169 8.172 -2.045
38 HZ3 TRP 5 HZ3 TRP 5 -2.304 9.301 2.008
39 HH2 TRP 5 HH2 TRP 5 -3.516 7.863 0.393
40 H GLY 6 H GLY 6 3.575 12.275 0.985
41 HA2 GLY 6 HA3 GLY 6 2.420 9.919 2.337
42 HA3 GLY 6 HA2 GLY 6 4.136 9.983 2.070
43 H PHE 7 H PHE 7 5.062 10.395 3.996
44 HA PHE 7 HA PHE 7 3.768 12.256 5.863
45 HB2 PHE 7 HB3 PHE 7 6.147 10.402 6.121
46 HB3 PHE 7 HB2 PHE 7 5.629 11.510 7.383
47 HD1 PHE 7 HD1 PHE 7 4.829 8.444 5.541
48 HD2 PHE 7 HD3 PHE 7 3.496 11.185 8.566
49 HE1 PHE 7 HE1 PHE 7 3.149 6.786 6.302
50 HE2 PHE 7 HE2 PHE 7 1.814 9.529 9.326
51 HZ PHE 7 HZ PHE 7 1.642 7.329 8.195
52 H GLU 8 H GLU 8 7.145 11.693 4.888
53 HA GLU 8 HA GLU 8 8.221 14.104 5.602
54 HB2 GLU 8 HB3 GLU 8 9.846 13.750 3.701
55 HB3 GLU 8 HB2 GLU 8 9.674 12.369 4.790
56 HG2 GLU 8 HG3 GLU 8 8.212 11.246 3.264
57 HG3 GLU 8 HG2 GLU 8 8.107 12.661 2.239
58 H ASN 9 H ASN 9 8.492 16.106 4.678
59 HA ASN 9 HA ASN 9 7.631 17.987 3.645
60 HB2 ASN 9 HB3 ASN 9 7.813 17.821 1.143
61 HB3 ASN 9 HB2 ASN 9 9.259 17.315 2.014
62 HD21 ASN 9 HD21 ASN 9 6.219 15.858 0.699
63 HD22 ASN 9 HD22 ASN 9 6.955 14.423 0.217
64 H ASP 10 H ASP 10 5.673 15.724 4.348
65 HA ASP 10 HA ASP 10 3.451 15.192 4.002
66 HB2 ASP 10 HB3 ASP 10 3.530 18.167 3.496
67 HB3 ASP 10 HB2 ASP 10 2.026 17.253 3.581
68 H TRP 11 H TRP 11 5.388 15.451 1.534
69 HA TRP 11 HA TRP 11 3.234 15.090 -0.462
70 HB2 TRP 11 HB3 TRP 11 5.730 16.763 -0.742
71 HB3 TRP 11 HB2 TRP 11 4.841 16.152 -2.131
72 HD1 TRP 11 HD1 TRP 11 4.987 19.037 0.083
73 HE1 TRP 11 HE1 TRP 11 2.832 20.444 -0.066
74 HE3 TRP 11 HE3 TRP 11 1.949 15.741 -2.364
75 HZ2 TRP 11 HZ2 TRP 11 0.170 20.204 -1.089
76 HZ3 TRP 11 HZ3 TRP 11 -0.388 16.354 -2.914
77 HH2 TRP 11 HH2 TRP 11 -1.282 18.579 -2.280
78 H SER 12 H SER 12 5.410 13.497 1.209
79 HA SER 12 HA SER 12 5.777 11.495 -0.834
80 HB2 SER 12 HB3 SER 12 8.046 13.186 0.073
81 HB3 SER 12 HB2 SER 12 8.341 11.496 -0.272
82 HG SER 12 HG SER 12 8.470 13.189 -2.033
83 H CYS 13 H CYS 13 6.808 9.531 0.027
84 HA CYS 13 HA CYS 13 6.006 9.095 2.808
85 HB2 CYS 13 HB3 CYS 13 6.628 7.346 0.464
86 HB3 CYS 13 HB2 CYS 13 6.758 6.669 2.090
87 H VAL 14 H VAL 14 7.376 7.917 4.271
88 HA VAL 14 HA VAL 14 10.161 8.840 4.108
89 HB VAL 14 HB VAL 14 10.174 8.111 6.556
90 HG11 VAL 14 HG11 VAL 14 10.039 10.426 6.106
91 HG12 VAL 14 HG12 VAL 14 8.695 10.105 7.201
92 HG13 VAL 14 HG13 VAL 14 8.399 10.294 5.474
93 HG21 VAL 14 HG21 VAL 14 8.126 7.601 7.624
94 HG22 VAL 14 HG22 VAL 14 8.044 6.665 6.133
95 HG23 VAL 14 HG23 VAL 14 7.167 8.187 6.265
96 H ARG 15 H ARG 15 9.999 6.397 6.322
97 HA ARG 15 HA ARG 15 11.707 4.684 4.842
98 HB2 ARG 15 HB3 ARG 15 11.649 4.926 7.357
99 HB3 ARG 15 HB2 ARG 15 10.158 3.983 7.343
100 HG2 ARG 15 HG3 ARG 15 11.364 2.147 6.173
101 HG3 ARG 15 HG2 ARG 15 12.854 3.079 6.292
102 HD2 ARG 15 HD3 ARG 15 11.182 2.272 8.683
103 HD3 ARG 15 HD2 ARG 15 12.571 1.355 8.109
104 HE ARG 15 HE ARG 15 13.362 4.034 8.477
105 HH11 ARG 15 HH11 ARG 15 14.510 4.590 10.359
106 HH12 ARG 15 HH12 ARG 15 14.422 3.566 11.754
107 HH21 ARG 15 HH21 ARG 15 12.299 1.265 10.260
108 HH22 ARG 15 HH22 ARG 15 13.170 1.685 11.698
109 H VAL 16 H VAL 16 8.385 4.205 6.053
110 HA VAL 16 HA VAL 16 7.826 2.506 3.703
111 HB VAL 16 HB VAL 16 6.511 1.016 5.354
112 HG11 VAL 16 HG21 VAL 16 8.682 -0.203 5.978
113 HG12 VAL 16 HG22 VAL 16 9.526 1.117 5.172
114 HG13 VAL 16 HG23 VAL 16 8.415 0.097 4.261
115 HG21 VAL 16 HG31 VAL 16 7.306 1.002 7.643
116 HG22 VAL 16 HG32 VAL 16 6.793 2.645 7.260
117 HG23 VAL 16 HG33 VAL 16 8.509 2.239 7.280
118 H CYS 17 H CYS 17 5.477 2.117 3.441
119 HA CYS 17 HA CYS 17 3.717 4.062 4.740
120 HB2 CYS 17 HB3 CYS 17 4.661 4.240 1.929
121 HB3 CYS 17 HB2 CYS 17 2.931 4.480 2.172
Start of MODEL 12
1 H GLY 1 H GLY 1 10.689 12.461 1.618
2 HA2 GLY 1 HA3 GLY 1 12.277 11.727 1.065
3 HA3 GLY 1 HA2 GLY 1 11.820 10.127 1.637
4 H ARG 2 H ARG 2 9.936 9.152 0.266
5 HA ARG 2 HA ARG 2 10.848 9.193 -2.508
6 HB2 ARG 2 HB3 ARG 2 8.741 7.305 -2.266
7 HB3 ARG 2 HB2 ARG 2 10.463 6.962 -2.311
8 HG2 ARG 2 HG3 ARG 2 9.673 5.919 -0.345
9 HG3 ARG 2 HG2 ARG 2 10.459 7.382 0.228
10 HD2 ARG 2 HD3 ARG 2 8.283 7.074 1.328
11 HD3 ARG 2 HD2 ARG 2 8.252 8.512 0.319
12 HE ARG 2 HE ARG 2 6.618 7.489 -0.956
13 HH11 ARG 2 HH11 ARG 2 5.298 5.749 -1.578
14 HH12 ARG 2 HH12 ARG 2 5.657 4.152 -1.009
15 HH21 ARG 2 HH21 ARG 2 8.441 5.137 0.807
16 HH22 ARG 2 HH22 ARG 2 7.438 3.805 0.337
17 HA PRO 3 HA PRO 3 7.643 11.568 -4.302
18 HB2 PRO 3 HB3 PRO 3 6.651 9.828 -6.282
19 HB3 PRO 3 HB2 PRO 3 8.076 10.873 -6.449
20 HG2 PRO 3 HG3 PRO 3 7.931 7.974 -5.743
21 HG3 PRO 3 HG2 PRO 3 9.091 8.829 -6.779
22 HD2 PRO 3 HD3 PRO 3 9.766 8.107 -4.282
23 HD3 PRO 3 HD2 PRO 3 10.310 9.661 -4.953
24 H ASN 4 H ASN 4 5.210 10.846 -5.421
25 HA ASN 4 HA ASN 4 3.022 10.446 -4.869
26 HB2 ASN 4 HB3 ASN 4 4.174 8.288 -3.079
27 HB3 ASN 4 HB2 ASN 4 2.508 8.413 -3.631
28 HD21 ASN 4 HD21 ASN 4 5.156 6.625 -4.239
29 HD22 ASN 4 HD22 ASN 4 4.991 6.380 -5.910
30 H TRP 5 H TRP 5 2.050 12.010 -3.745
31 HA TRP 5 HA TRP 5 2.855 13.398 -1.562
32 HB2 TRP 5 HB3 TRP 5 0.503 13.905 -1.096
33 HB3 TRP 5 HB2 TRP 5 0.802 13.905 -2.833
34 HD1 TRP 5 HD1 TRP 5 -0.356 12.074 -4.287
35 HE1 TRP 5 HE1 TRP 5 -2.171 10.310 -3.795
36 HE3 TRP 5 HE3 TRP 5 -0.420 12.269 0.817
37 HZ2 TRP 5 HZ2 TRP 5 -3.477 9.137 -1.538
38 HZ3 TRP 5 HZ3 TRP 5 -1.957 10.818 2.111
39 HH2 TRP 5 HH2 TRP 5 -3.484 9.254 0.941
40 H GLY 6 H GLY 6 3.322 12.941 0.514
41 HA2 GLY 6 HA3 GLY 6 1.835 10.855 1.948
42 HA3 GLY 6 HA2 GLY 6 3.557 10.629 1.783
43 H PHE 7 H PHE 7 4.289 10.945 3.824
44 HA PHE 7 HA PHE 7 3.266 13.160 5.437
45 HB2 PHE 7 HB3 PHE 7 5.189 10.905 6.010
46 HB3 PHE 7 HB2 PHE 7 4.775 12.159 7.174
47 HD1 PHE 7 HD1 PHE 7 3.659 9.136 5.478
48 HD2 PHE 7 HD3 PHE 7 2.421 12.409 7.968
49 HE1 PHE 7 HE1 PHE 7 1.599 7.895 6.084
50 HE2 PHE 7 HE2 PHE 7 0.360 11.168 8.574
51 HZ PHE 7 HZ PHE 7 -0.051 8.911 7.632
52 H GLU 8 H GLU 8 6.604 11.971 4.947
53 HA GLU 8 HA GLU 8 7.919 14.293 5.650
54 HB2 GLU 8 HB3 GLU 8 9.749 13.476 4.071
55 HB3 GLU 8 HB2 GLU 8 9.239 12.333 5.318
56 HG2 GLU 8 HG3 GLU 8 7.873 11.142 3.761
57 HG3 GLU 8 HG2 GLU 8 8.108 12.374 2.532
58 H ASN 9 H ASN 9 8.814 16.048 4.482
59 HA ASN 9 HA ASN 9 8.697 17.807 3.005
60 HB2 ASN 9 HB3 ASN 9 9.789 16.313 1.475
61 HB3 ASN 9 HB2 ASN 9 8.288 15.474 1.142
62 HD21 ASN 9 HD21 ASN 9 6.891 16.318 -0.482
63 HD22 ASN 9 HD22 ASN 9 7.257 17.748 -1.338
64 H ASP 10 H ASP 10 6.120 16.197 4.017
65 HA ASP 10 HA ASP 10 3.865 16.613 4.037
66 HB2 ASP 10 HB3 ASP 10 4.763 19.010 4.180
67 HB3 ASP 10 HB2 ASP 10 4.425 19.122 2.453
68 H TRP 11 H TRP 11 5.598 15.867 1.379
69 HA TRP 11 HA TRP 11 3.181 15.242 -0.151
70 HB2 TRP 11 HB3 TRP 11 4.240 17.508 -0.920
71 HB3 TRP 11 HB2 TRP 11 5.479 16.492 -1.640
72 HD1 TRP 11 HD1 TRP 11 1.661 16.978 -1.733
73 HE1 TRP 11 HE1 TRP 11 0.811 16.228 -4.049
74 HE3 TRP 11 HE3 TRP 11 6.008 15.183 -3.731
75 HZ2 TRP 11 HZ2 TRP 11 1.839 15.026 -6.433
76 HZ3 TRP 11 HZ3 TRP 11 6.043 14.242 -6.024
77 HH2 TRP 11 HH2 TRP 11 3.966 14.162 -7.376
78 H SER 12 H SER 12 5.287 13.772 1.388
79 HA SER 12 HA SER 12 5.723 11.713 -0.617
80 HB2 SER 12 HB3 SER 12 7.923 13.365 0.506
81 HB3 SER 12 HB2 SER 12 8.235 11.653 0.286
82 HG SER 12 HG SER 12 8.751 12.711 -1.605
83 H CYS 13 H CYS 13 6.016 9.665 0.305
84 HA CYS 13 HA CYS 13 5.071 9.452 3.034
85 HB2 CYS 13 HB3 CYS 13 4.715 7.895 0.824
86 HB3 CYS 13 HB2 CYS 13 5.978 6.986 1.643
87 H VAL 14 H VAL 14 6.187 7.925 4.557
88 HA VAL 14 HA VAL 14 9.022 8.663 4.723
89 HB VAL 14 HB VAL 14 8.742 7.523 7.037
90 HG11 VAL 14 HG11 VAL 14 8.906 9.886 6.976
91 HG12 VAL 14 HG12 VAL 14 7.409 9.577 7.857
92 HG13 VAL 14 HG13 VAL 14 7.352 10.057 6.160
93 HG21 VAL 14 HG21 VAL 14 5.821 7.939 6.334
94 HG22 VAL 14 HG22 VAL 14 6.471 7.290 7.838
95 HG23 VAL 14 HG23 VAL 14 6.606 6.360 6.346
96 H ARG 15 H ARG 15 10.167 6.667 6.106
97 HA ARG 15 HA ARG 15 10.713 4.700 4.136
98 HB2 ARG 15 HB3 ARG 15 12.235 5.508 6.032
99 HB3 ARG 15 HB2 ARG 15 11.323 4.423 7.080
100 HG2 ARG 15 HG3 ARG 15 11.849 2.555 5.461
101 HG3 ARG 15 HG2 ARG 15 12.924 3.671 4.621
102 HD2 ARG 15 HD3 ARG 15 13.147 2.961 7.558
103 HD3 ARG 15 HD2 ARG 15 14.125 2.245 6.281
104 HE ARG 15 HE ARG 15 14.473 4.853 7.446
105 HH11 ARG 15 HH11 ARG 15 16.157 6.116 6.598
106 HH12 ARG 15 HH12 ARG 15 16.873 5.688 5.079
107 HH21 ARG 15 HH21 ARG 15 14.842 2.920 4.599
108 HH22 ARG 15 HH22 ARG 15 16.128 3.878 3.949
109 H VAL 16 H VAL 16 10.034 2.606 3.911
110 HA VAL 16 HA VAL 16 8.734 0.731 4.138
111 HB VAL 16 HB VAL 16 8.000 1.589 6.938
112 HG11 VAL 16 HG21 VAL 16 6.939 -0.422 5.889
113 HG12 VAL 16 HG22 VAL 16 7.899 -0.810 7.317
114 HG13 VAL 16 HG23 VAL 16 8.545 -1.127 5.707
115 HG21 VAL 16 HG31 VAL 16 10.644 0.574 5.890
116 HG22 VAL 16 HG32 VAL 16 10.119 0.161 7.523
117 HG23 VAL 16 HG33 VAL 16 10.333 1.848 7.071
118 H CYS 17 H CYS 17 7.538 2.470 2.680
119 HA CYS 17 HA CYS 17 4.729 2.341 3.478
120 HB2 CYS 17 HB3 CYS 17 5.240 4.489 4.368
121 HB3 CYS 17 HB2 CYS 17 6.217 4.919 2.965
Start of MODEL 13
1 H GLY 1 H GLY 1 10.779 13.098 1.245
2 HA2 GLY 1 HA3 GLY 1 12.248 12.818 0.194
3 HA3 GLY 1 HA2 GLY 1 12.627 11.483 1.274
4 H ARG 2 H ARG 2 9.846 11.583 -0.903
5 HA ARG 2 HA ARG 2 11.012 10.154 -3.042
6 HB2 ARG 2 HB3 ARG 2 9.535 8.000 -2.456
7 HB3 ARG 2 HB2 ARG 2 11.185 8.165 -1.857
8 HG2 ARG 2 HG3 ARG 2 10.474 8.800 0.295
9 HG3 ARG 2 HG2 ARG 2 8.854 9.222 -0.263
10 HD2 ARG 2 HD3 ARG 2 10.030 6.432 -0.107
11 HD3 ARG 2 HD2 ARG 2 8.800 7.104 0.961
12 HE ARG 2 HE ARG 2 7.678 7.371 -1.502
13 HH11 ARG 2 HH11 ARG 2 6.456 5.753 -2.529
14 HH12 ARG 2 HH12 ARG 2 6.716 4.090 -2.121
15 HH21 ARG 2 HH21 ARG 2 9.198 4.770 0.200
16 HH22 ARG 2 HH22 ARG 2 8.266 3.533 -0.577
17 HA PRO 3 HA PRO 3 7.274 11.508 -4.968
18 HB2 PRO 3 HB3 PRO 3 6.760 9.420 -6.740
19 HB3 PRO 3 HB2 PRO 3 7.961 10.697 -7.014
20 HG2 PRO 3 HG3 PRO 3 8.360 7.933 -5.942
21 HG3 PRO 3 HG2 PRO 3 9.332 8.833 -7.123
22 HD2 PRO 3 HD3 PRO 3 10.138 8.629 -4.570
23 HD3 PRO 3 HD2 PRO 3 10.366 10.142 -5.472
24 H ASN 4 H ASN 4 5.001 11.169 -5.077
25 HA ASN 4 HA ASN 4 2.960 10.142 -4.633
26 HB2 ASN 4 HB3 ASN 4 4.397 7.915 -4.609
27 HB3 ASN 4 HB2 ASN 4 4.207 8.056 -2.864
28 HD21 ASN 4 HD21 ASN 4 2.310 7.913 -5.911
29 HD22 ASN 4 HD22 ASN 4 0.915 7.268 -5.190
30 H TRP 5 H TRP 5 1.958 11.554 -3.377
31 HA TRP 5 HA TRP 5 2.784 12.902 -1.187
32 HB2 TRP 5 HB3 TRP 5 0.348 12.957 -0.467
33 HB3 TRP 5 HB2 TRP 5 0.680 13.468 -2.121
34 HD1 TRP 5 HD1 TRP 5 -1.063 10.804 -0.103
35 HE1 TRP 5 HE1 TRP 5 -2.358 9.237 -1.689
36 HE3 TRP 5 HE3 TRP 5 0.739 12.417 -4.599
37 HZ2 TRP 5 HZ2 TRP 5 -2.598 8.736 -4.494
38 HZ3 TRP 5 HZ3 TRP 5 -0.038 11.379 -6.711
39 HH2 TRP 5 HH2 TRP 5 -1.703 9.542 -6.664
40 H GLY 6 H GLY 6 3.705 12.219 0.656
41 HA2 GLY 6 HA3 GLY 6 2.415 10.025 2.167
42 HA3 GLY 6 HA2 GLY 6 4.130 9.968 1.863
43 H PHE 7 H PHE 7 4.855 10.168 3.949
44 HA PHE 7 HA PHE 7 3.772 12.132 5.756
45 HB2 PHE 7 HB3 PHE 7 6.118 10.252 5.959
46 HB3 PHE 7 HB2 PHE 7 5.576 11.303 7.263
47 HD1 PHE 7 HD1 PHE 7 3.412 10.952 8.366
48 HD2 PHE 7 HD3 PHE 7 4.790 8.340 5.246
49 HE1 PHE 7 HE1 PHE 7 1.677 9.292 8.988
50 HE2 PHE 7 HE2 PHE 7 3.055 6.681 5.868
51 HZ PHE 7 HZ PHE 7 1.499 7.157 7.739
52 H GLU 8 H GLU 8 7.181 11.651 4.654
53 HA GLU 8 HA GLU 8 8.067 14.131 5.602
54 HB2 GLU 8 HB3 GLU 8 9.875 13.844 3.742
55 HB3 GLU 8 HB2 GLU 8 9.808 12.674 5.057
56 HG2 GLU 8 HG3 GLU 8 8.682 11.087 3.718
57 HG3 GLU 8 HG2 GLU 8 8.359 12.267 2.461
58 H ASN 9 H ASN 9 8.438 16.128 4.661
59 HA ASN 9 HA ASN 9 7.867 17.974 3.421
60 HB2 ASN 9 HB3 ASN 9 9.178 16.996 1.671
61 HB3 ASN 9 HB2 ASN 9 7.911 15.846 1.279
62 HD21 ASN 9 HD21 ASN 9 6.079 16.582 0.010
63 HD22 ASN 9 HD22 ASN 9 6.095 18.114 -0.742
64 H ASP 10 H ASP 10 5.781 15.684 4.262
65 HA ASP 10 HA ASP 10 3.494 15.548 4.379
66 HB2 ASP 10 HB3 ASP 10 3.788 18.019 4.918
67 HB3 ASP 10 HB2 ASP 10 3.422 18.341 3.225
68 H TRP 11 H TRP 11 5.227 15.719 1.605
69 HA TRP 11 HA TRP 11 2.903 14.892 -0.009
70 HB2 TRP 11 HB3 TRP 11 4.031 17.336 -0.458
71 HB3 TRP 11 HB2 TRP 11 5.044 16.340 -1.497
72 HD1 TRP 11 HD1 TRP 11 1.322 17.151 -0.913
73 HE1 TRP 11 HE1 TRP 11 0.066 16.785 -3.135
74 HE3 TRP 11 HE3 TRP 11 5.112 15.269 -3.770
75 HZ2 TRP 11 HZ2 TRP 11 0.600 15.822 -5.776
76 HZ3 TRP 11 HZ3 TRP 11 4.712 14.636 -6.132
77 HH2 TRP 11 HH2 TRP 11 2.463 14.910 -7.138
78 H SER 12 H SER 12 5.241 13.591 1.468
79 HA SER 12 HA SER 12 5.765 11.656 -0.612
80 HB2 SER 12 HB3 SER 12 8.281 11.786 -0.130
81 HB3 SER 12 HB2 SER 12 7.589 12.990 -1.206
82 HG SER 12 HG SER 12 8.447 14.343 0.146
83 H CYS 13 H CYS 13 6.678 9.710 0.172
84 HA CYS 13 HA CYS 13 5.933 9.160 2.942
85 HB2 CYS 13 HB3 CYS 13 6.450 7.555 0.485
86 HB3 CYS 13 HB2 CYS 13 6.757 6.759 2.029
87 H VAL 14 H VAL 14 7.298 8.155 4.469
88 HA VAL 14 HA VAL 14 10.009 9.143 4.412
89 HB VAL 14 HB VAL 14 10.024 7.667 6.632
90 HG11 VAL 14 HG11 VAL 14 8.525 10.246 6.144
91 HG12 VAL 14 HG12 VAL 14 10.149 10.036 6.799
92 HG13 VAL 14 HG13 VAL 14 8.743 9.585 7.765
93 HG21 VAL 14 HG21 VAL 14 7.056 8.158 6.355
94 HG22 VAL 14 HG22 VAL 14 7.898 7.127 7.507
95 HG23 VAL 14 HG23 VAL 14 7.764 6.638 5.820
96 H ARG 15 H ARG 15 9.354 5.939 5.650
97 HA ARG 15 HA ARG 15 10.987 4.713 3.504
98 HB2 ARG 15 HB3 ARG 15 12.377 5.105 5.531
99 HB3 ARG 15 HB2 ARG 15 11.238 4.139 6.469
100 HG2 ARG 15 HG3 ARG 15 11.681 2.192 5.031
101 HG3 ARG 15 HG2 ARG 15 12.798 3.154 4.062
102 HD2 ARG 15 HD3 ARG 15 14.152 3.556 6.131
103 HD3 ARG 15 HD2 ARG 15 13.087 2.451 6.996
104 HE ARG 15 HE ARG 15 15.107 1.735 5.015
105 HH11 ARG 15 HH11 ARG 15 15.491 -0.495 4.819
106 HH12 ARG 15 HH12 ARG 15 14.401 -1.624 5.552
107 HH21 ARG 15 HH21 ARG 15 12.314 0.823 6.846
108 HH22 ARG 15 HH22 ARG 15 12.603 -0.877 6.700
109 H VAL 16 H VAL 16 8.334 4.594 5.705
110 HA VAL 16 HA VAL 16 7.547 1.921 4.667
111 HB VAL 16 HB VAL 16 7.111 3.148 7.402
112 HG11 VAL 16 HG21 VAL 16 5.902 0.927 7.821
113 HG12 VAL 16 HG22 VAL 16 5.816 0.762 6.067
114 HG13 VAL 16 HG23 VAL 16 5.025 2.121 6.866
115 HG21 VAL 16 HG31 VAL 16 8.374 1.273 8.194
116 HG22 VAL 16 HG32 VAL 16 9.278 1.927 6.828
117 HG23 VAL 16 HG33 VAL 16 8.299 0.475 6.623
118 H CYS 17 H CYS 17 5.641 1.827 3.646
119 HA CYS 17 HA CYS 17 3.459 3.605 4.206
120 HB2 CYS 17 HB3 CYS 17 5.316 4.172 1.942
121 HB3 CYS 17 HB2 CYS 17 3.592 4.354 1.621
Start of MODEL 14
1 H GLY 1 H GLY 1 9.401 10.347 0.916
2 HA2 GLY 1 HA3 GLY 1 11.817 11.342 0.852
3 HA3 GLY 1 HA2 GLY 1 11.494 9.623 1.021
4 H ARG 2 H ARG 2 9.854 8.702 -0.507
5 HA ARG 2 HA ARG 2 10.497 9.539 -3.164
6 HB2 ARG 2 HB3 ARG 2 9.252 7.538 -3.878
7 HB3 ARG 2 HB2 ARG 2 10.393 7.153 -2.602
8 HG2 ARG 2 HG3 ARG 2 7.454 7.730 -2.093
9 HG3 ARG 2 HG2 ARG 2 8.088 6.115 -2.363
10 HD2 ARG 2 HD3 ARG 2 9.788 6.927 -0.403
11 HD3 ARG 2 HD2 ARG 2 8.360 7.867 0.022
12 HE ARG 2 HE ARG 2 7.355 5.895 0.694
13 HH11 ARG 2 HH11 ARG 2 7.245 3.639 0.950
14 HH12 ARG 2 HH12 ARG 2 8.365 2.622 0.108
15 HH21 ARG 2 HH21 ARG 2 10.006 5.256 -1.438
16 HH22 ARG 2 HH22 ARG 2 9.927 3.536 -1.243
17 HA PRO 3 HA PRO 3 6.978 12.109 -4.024
18 HB2 PRO 3 HB3 PRO 3 6.558 11.521 -6.700
19 HB3 PRO 3 HB2 PRO 3 7.837 12.597 -6.106
20 HG2 PRO 3 HG3 PRO 3 8.005 9.712 -6.872
21 HG3 PRO 3 HG2 PRO 3 9.123 11.042 -7.238
22 HD2 PRO 3 HD3 PRO 3 9.660 9.285 -5.271
23 HD3 PRO 3 HD2 PRO 3 10.081 11.003 -5.103
24 H ASN 4 H ASN 4 5.132 11.519 -3.030
25 HA ASN 4 HA ASN 4 3.140 10.041 -4.396
26 HB2 ASN 4 HB3 ASN 4 4.632 8.156 -3.626
27 HB3 ASN 4 HB2 ASN 4 4.256 8.624 -1.970
28 HD21 ASN 4 HD21 ASN 4 3.439 6.110 -2.521
29 HD22 ASN 4 HD22 ASN 4 1.769 6.035 -2.820
30 H TRP 5 H TRP 5 3.886 12.445 -2.580
31 HA TRP 5 HA TRP 5 2.945 13.659 -0.840
32 HB2 TRP 5 HB3 TRP 5 0.331 12.551 -1.856
33 HB3 TRP 5 HB2 TRP 5 0.669 14.159 -1.215
34 HD1 TRP 5 HD1 TRP 5 2.069 15.840 -2.781
35 HE1 TRP 5 HE1 TRP 5 2.318 15.943 -5.345
36 HE3 TRP 5 HE3 TRP 5 0.432 11.163 -4.015
37 HZ2 TRP 5 HZ2 TRP 5 1.880 14.264 -7.619
38 HZ3 TRP 5 HZ3 TRP 5 0.358 10.441 -6.384
39 HH2 TRP 5 HH2 TRP 5 1.079 11.984 -8.186
40 H GLY 6 H GLY 6 3.944 11.581 0.346
41 HA2 GLY 6 HA3 GLY 6 1.943 10.001 1.734
42 HA3 GLY 6 HA2 GLY 6 3.664 9.897 1.923
43 H PHE 7 H PHE 7 4.736 11.240 3.450
44 HA PHE 7 HA PHE 7 3.136 13.141 4.977
45 HB2 PHE 7 HB3 PHE 7 4.159 10.568 6.177
46 HB3 PHE 7 HB2 PHE 7 3.685 11.967 7.141
47 HD1 PHE 7 HD1 PHE 7 1.340 12.775 7.131
48 HD2 PHE 7 HD3 PHE 7 2.512 9.214 5.033
49 HE1 PHE 7 HE1 PHE 7 -1.040 12.102 6.941
50 HE2 PHE 7 HE2 PHE 7 0.133 8.543 4.844
51 HZ PHE 7 HZ PHE 7 -1.644 9.987 5.797
52 H GLU 8 H GLU 8 6.270 11.850 4.079
53 HA GLU 8 HA GLU 8 7.827 13.146 6.037
54 HB2 GLU 8 HB3 GLU 8 9.610 13.236 4.166
55 HB3 GLU 8 HB2 GLU 8 9.060 11.654 4.711
56 HG2 GLU 8 HG3 GLU 8 7.815 11.277 2.790
57 HG3 GLU 8 HG2 GLU 8 7.669 12.987 2.397
58 H ASN 9 H ASN 9 8.580 14.401 2.936
59 HA ASN 9 HA ASN 9 8.510 17.095 3.865
60 HB2 ASN 9 HB3 ASN 9 9.010 17.628 1.457
61 HB3 ASN 9 HB2 ASN 9 10.133 16.495 2.204
62 HD21 ASN 9 HD21 ASN 9 6.820 15.751 0.975
63 HD22 ASN 9 HD22 ASN 9 7.356 14.658 -0.200
64 H ASP 10 H ASP 10 5.939 15.901 4.138
65 HA ASP 10 HA ASP 10 3.716 16.167 3.567
66 HB2 ASP 10 HB3 ASP 10 3.028 18.477 3.413
67 HB3 ASP 10 HB2 ASP 10 4.348 18.367 4.573
68 H TRP 11 H TRP 11 5.690 15.490 1.377
69 HA TRP 11 HA TRP 11 3.815 15.792 -0.829
70 HB2 TRP 11 HB3 TRP 11 5.273 17.817 -0.945
71 HB3 TRP 11 HB2 TRP 11 6.664 16.757 -1.145
72 HD1 TRP 11 HD1 TRP 11 3.406 17.770 -2.892
73 HE1 TRP 11 HE1 TRP 11 3.617 17.216 -5.400
74 HE3 TRP 11 HE3 TRP 11 7.895 15.335 -2.885
75 HZ2 TRP 11 HZ2 TRP 11 5.448 15.916 -7.171
76 HZ3 TRP 11 HZ3 TRP 11 8.850 14.452 -4.994
77 HH2 TRP 11 HH2 TRP 11 7.632 14.739 -7.136
78 H SER 12 H SER 12 5.607 13.831 0.968
79 HA SER 12 HA SER 12 5.729 11.778 -1.065
80 HB2 SER 12 HB3 SER 12 8.188 13.099 -0.028
81 HB3 SER 12 HB2 SER 12 8.244 11.359 -0.252
82 HG SER 12 HG SER 12 7.059 12.721 -2.311
83 H CYS 13 H CYS 13 6.768 9.710 0.028
84 HA CYS 13 HA CYS 13 5.588 9.470 2.741
85 HB2 CYS 13 HB3 CYS 13 4.637 8.020 0.948
86 HB3 CYS 13 HB2 CYS 13 6.223 7.288 0.743
87 H VAL 14 H VAL 14 6.671 8.034 4.260
88 HA VAL 14 HA VAL 14 9.513 8.598 4.327
89 HB VAL 14 HB VAL 14 9.346 7.333 6.541
90 HG11 VAL 14 HG11 VAL 14 9.285 9.775 6.434
91 HG12 VAL 14 HG12 VAL 14 8.113 9.211 7.624
92 HG13 VAL 14 HG13 VAL 14 7.568 9.739 6.032
93 HG21 VAL 14 HG21 VAL 14 6.373 7.622 6.055
94 HG22 VAL 14 HG22 VAL 14 7.179 6.782 7.378
95 HG23 VAL 14 HG23 VAL 14 7.232 6.114 5.748
96 H ARG 15 H ARG 15 10.738 6.534 5.465
97 HA ARG 15 HA ARG 15 11.276 4.779 3.343
98 HB2 ARG 15 HB3 ARG 15 12.777 5.303 5.331
99 HB3 ARG 15 HB2 ARG 15 11.781 4.190 6.266
100 HG2 ARG 15 HG3 ARG 15 13.459 2.744 5.540
101 HG3 ARG 15 HG2 ARG 15 12.274 2.530 4.252
102 HD2 ARG 15 HD3 ARG 15 13.478 4.256 2.907
103 HD3 ARG 15 HD2 ARG 15 14.681 4.379 4.185
104 HE ARG 15 HE ARG 15 14.484 1.678 3.427
105 HH11 ARG 15 HH11 ARG 15 16.039 0.814 2.010
106 HH12 ARG 15 HH12 ARG 15 16.962 1.874 0.998
107 HH21 ARG 15 HH21 ARG 15 15.434 4.758 2.167
108 HH22 ARG 15 HH22 ARG 15 16.620 4.105 1.087
109 H VAL 16 H VAL 16 9.324 4.332 6.280
110 HA VAL 16 HA VAL 16 8.285 1.780 5.201
111 HB VAL 16 HB VAL 16 7.882 2.958 7.961
112 HG11 VAL 16 HG21 VAL 16 7.379 0.554 8.485
113 HG12 VAL 16 HG22 VAL 16 7.491 0.199 6.760
114 HG13 VAL 16 HG23 VAL 16 6.231 1.278 7.358
115 HG21 VAL 16 HG31 VAL 16 9.948 0.975 6.953
116 HG22 VAL 16 HG32 VAL 16 9.651 1.342 8.653
117 HG23 VAL 16 HG33 VAL 16 10.274 2.593 7.577
118 H CYS 17 H CYS 17 6.603 2.153 3.890
119 HA CYS 17 HA CYS 17 4.612 4.220 4.615
120 HB2 CYS 17 HB3 CYS 17 5.084 2.747 2.010
121 HB3 CYS 17 HB2 CYS 17 3.874 4.002 2.275
Start of MODEL 15
1 H GLY 1 H GLY 1 10.293 10.093 1.349
2 HA2 GLY 1 HA3 GLY 1 12.023 11.854 -0.038
3 HA3 GLY 1 HA2 GLY 1 12.664 10.486 0.869
4 H ARG 2 H ARG 2 9.468 10.322 -0.467
5 HA ARG 2 HA ARG 2 10.409 8.576 -2.642
6 HB2 ARG 2 HB3 ARG 2 7.998 8.129 -0.865
7 HB3 ARG 2 HB2 ARG 2 8.509 7.095 -2.199
8 HG2 ARG 2 HG3 ARG 2 10.442 6.364 -1.058
9 HG3 ARG 2 HG2 ARG 2 10.393 7.706 0.081
10 HD2 ARG 2 HD3 ARG 2 9.600 5.354 0.877
11 HD3 ARG 2 HD2 ARG 2 8.649 6.770 1.327
12 HE ARG 2 HE ARG 2 7.417 6.067 -0.936
13 HH11 ARG 2 HH11 ARG 2 5.850 4.443 -1.197
14 HH12 ARG 2 HH12 ARG 2 5.847 3.071 -0.140
15 HH21 ARG 2 HH21 ARG 2 8.585 4.137 1.694
16 HH22 ARG 2 HH22 ARG 2 7.394 2.898 1.492
17 HA PRO 3 HA PRO 3 7.771 11.217 -5.093
18 HB2 PRO 3 HB3 PRO 3 7.343 9.612 -7.260
19 HB3 PRO 3 HB2 PRO 3 8.918 10.361 -6.924
20 HG2 PRO 3 HG3 PRO 3 7.988 7.580 -6.317
21 HG3 PRO 3 HG2 PRO 3 9.524 8.119 -7.025
22 HD2 PRO 3 HD3 PRO 3 9.306 7.484 -4.382
23 HD3 PRO 3 HD2 PRO 3 10.407 8.752 -4.963
24 H ASN 4 H ASN 4 5.992 11.135 -3.535
25 HA ASN 4 HA ASN 4 3.552 10.244 -4.660
26 HB2 ASN 4 HB3 ASN 4 4.445 8.037 -3.853
27 HB3 ASN 4 HB2 ASN 4 4.407 8.683 -2.215
28 HD21 ASN 4 HD21 ASN 4 2.684 7.373 -1.397
29 HD22 ASN 4 HD22 ASN 4 1.102 7.452 -2.008
30 H TRP 5 H TRP 5 3.104 9.709 -1.450
31 HA TRP 5 HA TRP 5 3.317 12.270 -0.280
32 HB2 TRP 5 HB3 TRP 5 1.662 13.054 -1.810
33 HB3 TRP 5 HB2 TRP 5 0.665 11.622 -1.570
34 HD1 TRP 5 HD1 TRP 5 2.291 13.698 1.239
35 HE1 TRP 5 HE1 TRP 5 0.425 14.623 2.753
36 HE3 TRP 5 HE3 TRP 5 -1.819 12.183 -1.392
37 HZ2 TRP 5 HZ2 TRP 5 -2.431 14.710 2.844
38 HZ3 TRP 5 HZ3 TRP 5 -4.098 12.700 -0.567
39 HH2 TRP 5 HH2 TRP 5 -4.409 13.960 1.546
40 H GLY 6 H GLY 6 3.840 11.338 1.647
41 HA2 GLY 6 HA3 GLY 6 1.677 9.846 2.995
42 HA3 GLY 6 HA2 GLY 6 3.279 9.165 2.994
43 H PHE 7 H PHE 7 4.879 11.384 3.459
44 HA PHE 7 HA PHE 7 3.812 12.874 5.707
45 HB2 PHE 7 HB3 PHE 7 5.862 10.703 6.120
46 HB3 PHE 7 HB2 PHE 7 5.545 11.982 7.285
47 HD1 PHE 7 HD1 PHE 7 4.326 8.885 5.805
48 HD2 PHE 7 HD3 PHE 7 3.322 12.169 8.383
49 HE1 PHE 7 HE1 PHE 7 2.404 7.596 6.696
50 HE2 PHE 7 HE2 PHE 7 1.398 10.882 9.275
51 HZ PHE 7 HZ PHE 7 0.941 8.595 8.432
52 H GLU 8 H GLU 8 7.033 11.761 4.527
53 HA GLU 8 HA GLU 8 8.429 14.043 5.251
54 HB2 GLU 8 HB3 GLU 8 10.054 13.462 3.504
55 HB3 GLU 8 HB2 GLU 8 9.597 12.061 4.478
56 HG2 GLU 8 HG3 GLU 8 8.594 11.012 2.711
57 HG3 GLU 8 HG2 GLU 8 7.923 12.489 2.049
58 H ASN 9 H ASN 9 9.068 15.931 4.221
59 HA ASN 9 HA ASN 9 8.687 17.850 3.028
60 HB2 ASN 9 HB3 ASN 9 9.585 17.274 1.022
61 HB3 ASN 9 HB2 ASN 9 9.013 15.621 1.201
62 HD21 ASN 9 HD21 ASN 9 6.835 15.115 0.297
63 HD22 ASN 9 HD22 ASN 9 6.170 16.115 -0.903
64 H ASP 10 H ASP 10 6.329 16.034 4.098
65 HA ASP 10 HA ASP 10 4.039 16.208 4.258
66 HB2 ASP 10 HB3 ASP 10 4.811 19.032 3.519
67 HB3 ASP 10 HB2 ASP 10 3.163 18.571 3.945
68 H TRP 11 H TRP 11 5.370 15.619 1.584
69 HA TRP 11 HA TRP 11 2.920 15.600 0.053
70 HB2 TRP 11 HB3 TRP 11 5.084 17.552 -0.521
71 HB3 TRP 11 HB2 TRP 11 4.504 16.663 -1.926
72 HD1 TRP 11 HD1 TRP 11 1.590 16.533 -1.862
73 HE1 TRP 11 HE1 TRP 11 0.025 18.567 -1.620
74 HE3 TRP 11 HE3 TRP 11 4.822 19.889 0.231
75 HZ2 TRP 11 HZ2 TRP 11 0.130 21.262 -0.664
76 HZ3 TRP 11 HZ3 TRP 11 4.064 22.179 0.796
77 HH2 TRP 11 HH2 TRP 11 1.725 22.869 0.352
78 H SER 12 H SER 12 5.446 13.988 1.146
79 HA SER 12 HA SER 12 5.438 12.124 -1.137
80 HB2 SER 12 HB3 SER 12 8.021 11.872 -0.430
81 HB3 SER 12 HB2 SER 12 7.496 12.984 -1.690
82 HG SER 12 HG SER 12 8.643 14.237 -0.348
83 H CYS 13 H CYS 13 6.209 9.973 -0.521
84 HA CYS 13 HA CYS 13 5.284 9.284 2.146
85 HB2 CYS 13 HB3 CYS 13 5.669 7.892 -0.414
86 HB3 CYS 13 HB2 CYS 13 6.169 6.922 0.967
87 H VAL 14 H VAL 14 6.508 8.264 3.741
88 HA VAL 14 HA VAL 14 9.456 8.430 3.393
89 HB VAL 14 HB VAL 14 8.379 10.189 4.887
90 HG11 VAL 14 HG11 VAL 14 6.765 8.553 5.938
91 HG12 VAL 14 HG12 VAL 14 7.655 9.576 7.067
92 HG13 VAL 14 HG13 VAL 14 8.137 7.898 6.833
93 HG21 VAL 14 HG21 VAL 14 10.404 8.290 6.102
94 HG22 VAL 14 HG22 VAL 14 10.158 9.969 6.582
95 HG23 VAL 14 HG23 VAL 14 10.775 9.593 4.973
96 H ARG 15 H ARG 15 10.699 6.864 4.502
97 HA ARG 15 HA ARG 15 11.152 4.643 4.955
98 HB2 ARG 15 HB3 ARG 15 10.416 5.745 7.164
99 HB3 ARG 15 HB2 ARG 15 8.894 4.888 6.940
100 HG2 ARG 15 HG3 ARG 15 10.041 3.284 8.164
101 HG3 ARG 15 HG2 ARG 15 10.531 2.800 6.542
102 HD2 ARG 15 HD3 ARG 15 12.527 2.897 7.877
103 HD3 ARG 15 HD2 ARG 15 12.556 4.301 6.815
104 HE ARG 15 HE ARG 15 11.312 4.959 9.289
105 HH11 ARG 15 HH11 ARG 15 12.500 6.211 10.762
106 HH12 ARG 15 HH12 ARG 15 14.222 6.321 10.608
107 HH21 ARG 15 HH21 ARG 15 14.368 4.258 7.823
108 HH22 ARG 15 HH22 ARG 15 15.279 5.215 8.944
109 H VAL 16 H VAL 16 8.620 3.218 6.287
110 HA VAL 16 HA VAL 16 8.052 1.545 4.084
111 HB VAL 16 HB VAL 16 6.546 1.957 6.676
112 HG11 VAL 16 HG21 VAL 16 6.322 -0.133 4.498
113 HG12 VAL 16 HG22 VAL 16 5.044 0.897 5.143
114 HG13 VAL 16 HG23 VAL 16 5.720 -0.395 6.135
115 HG21 VAL 16 HG31 VAL 16 8.630 -0.070 5.801
116 HG22 VAL 16 HG32 VAL 16 7.758 -0.116 7.333
117 HG23 VAL 16 HG33 VAL 16 8.862 1.215 6.987
118 H CYS 17 H CYS 17 6.167 4.163 5.596
119 HA CYS 17 HA CYS 17 4.350 5.357 4.864
120 HB2 CYS 17 HB3 CYS 17 5.465 6.375 3.125
121 HB3 CYS 17 HB2 CYS 17 5.992 4.847 2.430
Start of MODEL 16
1 H GLY 1 H GLY 1 9.944 12.505 1.559
2 HA2 GLY 1 HA3 GLY 1 12.427 12.324 1.526
3 HA3 GLY 1 HA2 GLY 1 12.198 10.657 2.029
4 H ARG 2 H ARG 2 10.070 9.890 0.397
5 HA ARG 2 HA ARG 2 11.330 9.983 -2.264
6 HB2 ARG 2 HB3 ARG 2 10.130 7.813 -2.635
7 HB3 ARG 2 HB2 ARG 2 11.358 7.759 -1.373
8 HG2 ARG 2 HG3 ARG 2 8.564 8.449 -0.520
9 HG3 ARG 2 HG2 ARG 2 8.864 6.784 -0.997
10 HD2 ARG 2 HD3 ARG 2 10.612 8.227 1.007
11 HD3 ARG 2 HD2 ARG 2 9.179 7.322 1.480
12 HE ARG 2 HE ARG 2 11.712 6.219 0.736
13 HH11 ARG 2 HH11 ARG 2 11.854 3.961 0.568
14 HH12 ARG 2 HH12 ARG 2 10.409 3.015 0.441
15 HH21 ARG 2 HH21 ARG 2 8.286 5.752 0.567
16 HH22 ARG 2 HH22 ARG 2 8.391 4.028 0.441
17 HA PRO 3 HA PRO 3 7.623 11.910 -3.829
18 HB2 PRO 3 HB3 PRO 3 7.787 11.221 -6.466
19 HB3 PRO 3 HB2 PRO 3 8.897 12.390 -5.719
20 HG2 PRO 3 HG3 PRO 3 9.323 9.476 -6.265
21 HG3 PRO 3 HG2 PRO 3 10.408 10.847 -6.577
22 HD2 PRO 3 HD3 PRO 3 10.704 9.261 -4.381
23 HD3 PRO 3 HD2 PRO 3 11.079 10.999 -4.348
24 H ASN 4 H ASN 4 6.148 10.516 -2.628
25 HA ASN 4 HA ASN 4 4.549 8.832 -4.379
26 HB2 ASN 4 HB3 ASN 4 6.004 7.730 -1.971
27 HB3 ASN 4 HB2 ASN 4 4.589 6.948 -2.676
28 HD21 ASN 4 HD21 ASN 4 5.122 7.432 -5.447
29 HD22 ASN 4 HD22 ASN 4 6.520 6.573 -5.879
30 H TRP 5 H TRP 5 4.351 11.340 -2.749
31 HA TRP 5 HA TRP 5 2.909 12.364 -1.277
32 HB2 TRP 5 HB3 TRP 5 1.351 11.822 -3.075
33 HB3 TRP 5 HB2 TRP 5 1.093 10.216 -2.394
34 HD1 TRP 5 HD1 TRP 5 0.436 13.922 -1.657
35 HE1 TRP 5 HE1 TRP 5 -1.493 14.090 0.045
36 HE3 TRP 5 HE3 TRP 5 -0.220 8.973 -0.566
37 HZ2 TRP 5 HZ2 TRP 5 -3.102 12.358 1.654
38 HZ3 TRP 5 HZ3 TRP 5 -1.955 8.263 1.052
39 HH2 TRP 5 HH2 TRP 5 -3.397 9.947 2.162
40 H GLY 6 H GLY 6 3.708 12.008 0.776
41 HA2 GLY 6 HA3 GLY 6 2.329 9.959 2.358
42 HA3 GLY 6 HA2 GLY 6 4.063 9.858 2.288
43 H PHE 7 H PHE 7 4.522 10.320 4.389
44 HA PHE 7 HA PHE 7 3.270 12.511 5.782
45 HB2 PHE 7 HB3 PHE 7 5.507 10.639 6.527
46 HB3 PHE 7 HB2 PHE 7 4.830 11.850 7.609
47 HD1 PHE 7 HD1 PHE 7 2.369 11.756 8.194
48 HD2 PHE 7 HD3 PHE 7 4.386 8.571 6.134
49 HE1 PHE 7 HE1 PHE 7 0.522 10.207 8.781
50 HE2 PHE 7 HE2 PHE 7 2.539 7.024 6.720
51 HZ PHE 7 HZ PHE 7 0.608 7.841 8.043
52 H GLU 8 H GLU 8 6.714 11.864 4.840
53 HA GLU 8 HA GLU 8 7.550 14.458 5.706
54 HB2 GLU 8 HB3 GLU 8 9.567 13.901 4.134
55 HB3 GLU 8 HB2 GLU 8 9.321 12.931 5.585
56 HG2 GLU 8 HG3 GLU 8 8.321 11.180 4.370
57 HG3 GLU 8 HG2 GLU 8 8.149 12.175 2.936
58 H ASN 9 H ASN 9 8.183 16.267 4.459
59 HA ASN 9 HA ASN 9 7.797 17.891 2.878
60 HB2 ASN 9 HB3 ASN 9 9.225 16.602 1.472
61 HB3 ASN 9 HB2 ASN 9 7.977 15.400 1.187
62 HD21 ASN 9 HD21 ASN 9 6.278 15.894 -0.370
63 HD22 ASN 9 HD22 ASN 9 6.419 17.239 -1.408
64 H ASP 10 H ASP 10 5.529 15.886 3.913
65 HA ASP 10 HA ASP 10 3.244 15.777 3.772
66 HB2 ASP 10 HB3 ASP 10 3.706 18.502 2.547
67 HB3 ASP 10 HB2 ASP 10 2.101 17.842 2.836
68 H TRP 11 H TRP 11 5.230 15.451 1.230
69 HA TRP 11 HA TRP 11 3.059 14.476 -0.480
70 HB2 TRP 11 HB3 TRP 11 4.355 16.851 -1.119
71 HB3 TRP 11 HB2 TRP 11 5.263 15.667 -2.052
72 HD1 TRP 11 HD1 TRP 11 4.152 14.610 -4.120
73 HE1 TRP 11 HE1 TRP 11 1.899 14.961 -5.322
74 HE3 TRP 11 HE3 TRP 11 1.726 17.461 -0.641
75 HZ2 TRP 11 HZ2 TRP 11 -0.600 16.274 -4.872
76 HZ3 TRP 11 HZ3 TRP 11 -0.588 18.247 -1.056
77 HH2 TRP 11 HH2 TRP 11 -1.753 17.658 -3.165
78 H SER 12 H SER 12 5.244 13.421 1.358
79 HA SER 12 HA SER 12 6.065 11.251 -0.400
80 HB2 SER 12 HB3 SER 12 7.952 12.621 -0.787
81 HB3 SER 12 HB2 SER 12 8.016 13.129 0.885
82 HG SER 12 HG SER 12 8.418 10.870 1.386
83 H CYS 13 H CYS 13 6.948 9.455 0.793
84 HA CYS 13 HA CYS 13 5.835 9.288 3.521
85 HB2 CYS 13 HB3 CYS 13 6.992 6.889 2.157
86 HB3 CYS 13 HB2 CYS 13 5.544 7.029 3.153
87 H VAL 14 H VAL 14 7.072 8.322 5.249
88 HA VAL 14 HA VAL 14 9.710 9.359 5.428
89 HB VAL 14 HB VAL 14 9.815 8.302 7.591
90 HG11 VAL 14 HG11 VAL 14 7.948 9.310 8.618
91 HG12 VAL 14 HG12 VAL 14 6.892 8.954 7.254
92 HG13 VAL 14 HG13 VAL 14 8.122 10.210 7.112
93 HG21 VAL 14 HG21 VAL 14 7.558 6.601 6.511
94 HG22 VAL 14 HG22 VAL 14 7.882 6.733 8.240
95 HG23 VAL 14 HG23 VAL 14 9.108 6.067 7.162
96 H ARG 15 H ARG 15 8.425 6.094 4.941
97 HA ARG 15 HA ARG 15 10.828 5.282 3.544
98 HB2 ARG 15 HB3 ARG 15 11.343 4.923 5.998
99 HB3 ARG 15 HB2 ARG 15 10.013 3.771 6.036
100 HG2 ARG 15 HG3 ARG 15 11.801 2.340 5.604
101 HG3 ARG 15 HG2 ARG 15 11.274 2.696 3.962
102 HD2 ARG 15 HD3 ARG 15 12.987 4.489 3.817
103 HD3 ARG 15 HD2 ARG 15 13.512 4.104 5.451
104 HE ARG 15 HE ARG 15 14.538 2.160 4.636
105 HH11 ARG 15 HH11 ARG 15 15.377 0.936 2.919
106 HH12 ARG 15 HH12 ARG 15 14.816 1.217 1.305
107 HH21 ARG 15 HH21 ARG 15 12.611 3.730 2.224
108 HH22 ARG 15 HH22 ARG 15 13.249 2.798 0.912
109 H VAL 16 H VAL 16 7.709 4.456 4.958
110 HA VAL 16 HA VAL 16 7.141 2.694 2.635
111 HB VAL 16 HB VAL 16 6.397 2.330 5.547
112 HG11 VAL 16 HG21 VAL 16 5.224 0.239 4.614
113 HG12 VAL 16 HG22 VAL 16 5.294 1.042 3.045
114 HG13 VAL 16 HG23 VAL 16 4.402 1.781 4.375
115 HG21 VAL 16 HG31 VAL 16 7.892 0.614 3.539
116 HG22 VAL 16 HG32 VAL 16 7.510 0.136 5.193
117 HG23 VAL 16 HG33 VAL 16 8.607 1.484 4.896
118 H CYS 17 H CYS 17 5.348 3.213 1.519
119 HA CYS 17 HA CYS 17 3.711 5.458 2.479
120 HB2 CYS 17 HB3 CYS 17 3.653 4.076 -0.212
121 HB3 CYS 17 HB2 CYS 17 2.918 5.623 0.207
Start of MODEL 17
1 H GLY 1 H GLY 1 9.308 11.059 0.596
2 HA2 GLY 1 HA3 GLY 1 11.944 11.181 0.555
3 HA3 GLY 1 HA2 GLY 1 11.360 9.602 1.069
4 H ARG 2 H ARG 2 9.079 9.222 -0.238
5 HA ARG 2 HA ARG 2 9.959 8.815 -2.953
6 HB2 ARG 2 HB3 ARG 2 7.339 7.967 -2.941
7 HB3 ARG 2 HB2 ARG 2 8.700 6.968 -2.437
8 HG2 ARG 2 HG3 ARG 2 7.365 8.798 -0.445
9 HG3 ARG 2 HG2 ARG 2 6.631 7.248 -0.844
10 HD2 ARG 2 HD3 ARG 2 9.554 7.245 -0.185
11 HD3 ARG 2 HD2 ARG 2 8.417 7.468 1.140
12 HE ARG 2 HE ARG 2 7.485 5.303 -0.339
13 HH11 ARG 2 HH11 ARG 2 7.986 3.180 0.312
14 HH12 ARG 2 HH12 ARG 2 9.382 2.891 1.296
15 HH21 ARG 2 HH21 ARG 2 10.306 6.229 1.433
16 HH22 ARG 2 HH22 ARG 2 10.695 4.615 1.929
17 HA PRO 3 HA PRO 3 8.016 12.257 -4.922
18 HB2 PRO 3 HB3 PRO 3 6.970 11.105 -7.205
19 HB3 PRO 3 HB2 PRO 3 8.701 11.426 -6.973
20 HG2 PRO 3 HG3 PRO 3 7.189 8.873 -6.586
21 HG3 PRO 3 HG2 PRO 3 8.761 9.141 -7.364
22 HD2 PRO 3 HD3 PRO 3 8.596 8.200 -4.833
23 HD3 PRO 3 HD2 PRO 3 9.892 9.310 -5.325
24 H ASN 4 H ASN 4 6.149 9.439 -4.140
25 HA ASN 4 HA ASN 4 3.561 10.343 -4.839
26 HB2 ASN 4 HB3 ASN 4 4.507 8.369 -2.755
27 HB3 ASN 4 HB2 ASN 4 2.808 8.643 -3.135
28 HD21 ASN 4 HD21 ASN 4 2.696 8.784 -5.861
29 HD22 ASN 4 HD22 ASN 4 3.328 7.380 -6.576
30 H TRP 5 H TRP 5 1.981 10.219 -2.629
31 HA TRP 5 HA TRP 5 2.753 12.666 -1.148
32 HB2 TRP 5 HB3 TRP 5 0.289 12.840 -0.696
33 HB3 TRP 5 HB2 TRP 5 0.725 12.970 -2.399
34 HD1 TRP 5 HD1 TRP 5 -0.570 10.350 0.118
35 HE1 TRP 5 HE1 TRP 5 -1.966 8.611 -1.174
36 HE3 TRP 5 HE3 TRP 5 0.146 12.015 -4.656
37 HZ2 TRP 5 HZ2 TRP 5 -2.688 8.008 -3.876
38 HZ3 TRP 5 HZ3 TRP 5 -0.909 10.844 -6.568
39 HH2 TRP 5 HH2 TRP 5 -2.324 8.844 -6.184
40 H GLY 6 H GLY 6 2.743 12.714 1.067
41 HA2 GLY 6 HA3 GLY 6 1.525 10.796 2.754
42 HA3 GLY 6 HA2 GLY 6 3.197 10.371 2.531
43 H PHE 7 H PHE 7 4.423 11.052 4.162
44 HA PHE 7 HA PHE 7 3.609 13.428 5.697
45 HB2 PHE 7 HB3 PHE 7 5.521 11.169 6.271
46 HB3 PHE 7 HB2 PHE 7 5.308 12.563 7.322
47 HD1 PHE 7 HD1 PHE 7 3.797 9.477 6.057
48 HD2 PHE 7 HD3 PHE 7 3.169 12.969 8.478
49 HE1 PHE 7 HE1 PHE 7 1.795 8.417 7.066
50 HE2 PHE 7 HE2 PHE 7 1.167 11.911 9.486
51 HZ PHE 7 HZ PHE 7 0.479 9.635 8.780
52 H GLU 8 H GLU 8 6.808 12.048 4.818
53 HA GLU 8 HA GLU 8 8.259 14.391 5.167
54 HB2 GLU 8 HB3 GLU 8 9.847 13.320 3.441
55 HB3 GLU 8 HB2 GLU 8 9.525 12.425 4.924
56 HG2 GLU 8 HG3 GLU 8 7.994 10.991 3.846
57 HG3 GLU 8 HG2 GLU 8 7.911 12.029 2.434
58 H ASN 9 H ASN 9 9.555 15.427 3.232
59 HA ASN 9 HA ASN 9 9.408 17.046 1.575
60 HB2 ASN 9 HB3 ASN 9 9.466 15.035 0.176
61 HB3 ASN 9 HB2 ASN 9 7.732 14.857 0.365
62 HD21 ASN 9 HD21 ASN 9 6.502 15.663 -1.311
63 HD22 ASN 9 HD22 ASN 9 7.017 16.910 -2.357
64 H ASP 10 H ASP 10 7.191 16.617 3.658
65 HA ASP 10 HA ASP 10 5.319 17.755 4.322
66 HB2 ASP 10 HB3 ASP 10 5.586 19.342 1.749
67 HB3 ASP 10 HB2 ASP 10 4.571 19.738 3.124
68 H TRP 11 H TRP 11 5.667 15.957 1.525
69 HA TRP 11 HA TRP 11 3.027 14.946 1.719
70 HB2 TRP 11 HB3 TRP 11 2.606 15.529 -0.850
71 HB3 TRP 11 HB2 TRP 11 2.082 16.608 0.437
72 HD1 TRP 11 HD1 TRP 11 4.863 16.160 -2.149
73 HE1 TRP 11 HE1 TRP 11 5.945 18.457 -2.596
74 HE3 TRP 11 HE3 TRP 11 2.450 18.969 1.364
75 HZ2 TRP 11 HZ2 TRP 11 5.795 21.135 -1.603
76 HZ3 TRP 11 HZ3 TRP 11 2.933 21.389 1.588
77 HH2 TRP 11 HH2 TRP 11 4.600 22.474 0.109
78 H SER 12 H SER 12 4.650 13.200 2.063
79 HA SER 12 HA SER 12 4.663 11.483 -0.183
80 HB2 SER 12 HB3 SER 12 7.266 12.786 0.500
81 HB3 SER 12 HB2 SER 12 7.214 11.201 -0.226
82 HG SER 12 HG SER 12 6.185 12.070 -1.986
83 H CYS 13 H CYS 13 5.071 9.357 0.416
84 HA CYS 13 HA CYS 13 4.635 8.675 3.081
85 HB2 CYS 13 HB3 CYS 13 4.599 7.272 0.793
86 HB3 CYS 13 HB2 CYS 13 6.169 6.742 1.388
87 H VAL 14 H VAL 14 6.093 7.568 4.603
88 HA VAL 14 HA VAL 14 8.626 8.972 4.813
89 HB VAL 14 HB VAL 14 8.808 7.776 6.982
90 HG11 VAL 14 HG11 VAL 14 7.469 9.923 6.617
91 HG12 VAL 14 HG12 VAL 14 7.064 8.992 8.059
92 HG13 VAL 14 HG13 VAL 14 6.027 8.908 6.633
93 HG21 VAL 14 HG21 VAL 14 6.173 6.553 6.100
94 HG22 VAL 14 HG22 VAL 14 6.867 6.406 7.714
95 HG23 VAL 14 HG23 VAL 14 7.690 5.686 6.330
96 H ARG 15 H ARG 15 10.144 6.970 6.129
97 HA ARG 15 HA ARG 15 11.488 5.798 3.958
98 HB2 ARG 15 HB3 ARG 15 12.519 6.234 6.172
99 HB3 ARG 15 HB2 ARG 15 11.542 4.939 6.862
100 HG2 ARG 15 HG3 ARG 15 12.584 3.325 5.296
101 HG3 ARG 15 HG2 ARG 15 13.574 4.624 4.632
102 HD2 ARG 15 HD3 ARG 15 14.513 5.007 6.917
103 HD3 ARG 15 HD2 ARG 15 13.609 3.607 7.486
104 HE ARG 15 HE ARG 15 15.992 3.575 5.810
105 HH11 ARG 15 HH11 ARG 15 16.867 1.507 5.450
106 HH12 ARG 15 HH12 ARG 15 15.944 0.099 5.858
107 HH21 ARG 15 HH21 ARG 15 13.215 1.899 7.016
108 HH22 ARG 15 HH22 ARG 15 13.877 0.321 6.744
109 H VAL 16 H VAL 16 9.150 4.430 6.258
110 HA VAL 16 HA VAL 16 9.104 1.896 4.764
111 HB VAL 16 HB VAL 16 7.605 2.640 7.284
112 HG11 VAL 16 HG21 VAL 16 6.646 0.722 6.175
113 HG12 VAL 16 HG22 VAL 16 7.607 0.124 7.529
114 HG13 VAL 16 HG23 VAL 16 8.242 0.028 5.886
115 HG21 VAL 16 HG31 VAL 16 9.421 1.395 8.446
116 HG22 VAL 16 HG32 VAL 16 10.021 2.852 7.654
117 HG23 VAL 16 HG33 VAL 16 10.290 1.273 6.916
118 H CYS 17 H CYS 17 7.527 1.385 3.377
119 HA CYS 17 HA CYS 17 4.867 2.466 3.597
120 HB2 CYS 17 HB3 CYS 17 6.504 4.190 2.377
121 HB3 CYS 17 HB2 CYS 17 6.145 3.172 0.985
Start of MODEL 18
1 H GLY 1 H GLY 1 10.566 12.799 1.441
2 HA2 GLY 1 HA3 GLY 1 12.197 12.210 0.869
3 HA3 GLY 1 HA2 GLY 1 11.948 10.620 1.570
4 H ARG 2 H ARG 2 9.670 9.776 0.199
5 HA ARG 2 HA ARG 2 10.754 9.401 -2.495
6 HB2 ARG 2 HB3 ARG 2 8.962 7.521 -2.501
7 HB3 ARG 2 HB2 ARG 2 10.435 7.295 -1.567
8 HG2 ARG 2 HG3 ARG 2 8.156 8.605 -0.130
9 HG3 ARG 2 HG2 ARG 2 7.960 6.898 -0.518
10 HD2 ARG 2 HD3 ARG 2 10.286 8.112 1.003
11 HD3 ARG 2 HD2 ARG 2 8.980 7.157 1.702
12 HE ARG 2 HE ARG 2 9.928 5.429 -0.100
13 HH11 ARG 2 HH11 ARG 2 11.722 4.063 0.141
14 HH12 ARG 2 HH12 ARG 2 13.028 4.527 1.178
15 HH21 ARG 2 HH21 ARG 2 11.573 7.532 2.114
16 HH22 ARG 2 HH22 ARG 2 12.944 6.489 2.296
17 HA PRO 3 HA PRO 3 7.519 12.479 -3.705
18 HB2 PRO 3 HB3 PRO 3 8.345 11.243 -6.318
19 HB3 PRO 3 HB2 PRO 3 8.027 12.947 -5.932
20 HG2 PRO 3 HG3 PRO 3 10.519 12.028 -6.117
21 HG3 PRO 3 HG2 PRO 3 10.073 13.234 -4.896
22 HD2 PRO 3 HD3 PRO 3 10.708 10.348 -4.525
23 HD3 PRO 3 HD2 PRO 3 10.865 11.687 -3.374
24 H ASN 4 H ASN 4 5.676 11.460 -2.888
25 HA ASN 4 HA ASN 4 3.998 10.130 -4.748
26 HB2 ASN 4 HB3 ASN 4 5.485 8.224 -4.222
27 HB3 ASN 4 HB2 ASN 4 5.074 8.394 -2.516
28 HD21 ASN 4 HD21 ASN 4 3.314 8.138 -5.669
29 HD22 ASN 4 HD22 ASN 4 2.116 7.097 -5.070
30 H TRP 5 H TRP 5 4.000 12.340 -2.822
31 HA TRP 5 HA TRP 5 2.717 13.247 -1.127
32 HB2 TRP 5 HB3 TRP 5 1.127 13.058 -3.039
33 HB3 TRP 5 HB2 TRP 5 0.602 11.500 -2.398
34 HD1 TRP 5 HD1 TRP 5 -0.847 11.483 -0.201
35 HE1 TRP 5 HE1 TRP 5 -2.120 13.331 1.068
36 HE3 TRP 5 HE3 TRP 5 1.170 15.622 -2.411
37 HZ2 TRP 5 HZ2 TRP 5 -2.265 16.186 1.135
38 HZ3 TRP 5 HZ3 TRP 5 0.445 17.890 -1.728
39 HH2 TRP 5 HH2 TRP 5 -1.269 18.177 0.040
40 H GLY 6 H GLY 6 3.717 12.316 0.672
41 HA2 GLY 6 HA3 GLY 6 2.088 10.242 2.026
42 HA3 GLY 6 HA2 GLY 6 3.825 10.120 1.974
43 H PHE 7 H PHE 7 4.653 10.645 3.888
44 HA PHE 7 HA PHE 7 3.302 12.587 5.608
45 HB2 PHE 7 HB3 PHE 7 5.575 10.655 6.068
46 HB3 PHE 7 HB2 PHE 7 4.979 11.784 7.278
47 HD1 PHE 7 HD1 PHE 7 4.356 8.671 5.503
48 HD2 PHE 7 HD3 PHE 7 2.627 11.615 8.108
49 HE1 PHE 7 HE1 PHE 7 2.541 7.086 6.087
50 HE2 PHE 7 HE2 PHE 7 0.811 10.031 8.692
51 HZ PHE 7 HZ PHE 7 0.766 7.766 7.681
52 H GLU 8 H GLU 8 6.755 11.930 4.861
53 HA GLU 8 HA GLU 8 7.740 14.392 5.695
54 HB2 GLU 8 HB3 GLU 8 9.558 13.932 3.868
55 HB3 GLU 8 HB2 GLU 8 9.395 12.812 5.222
56 HG2 GLU 8 HG3 GLU 8 8.070 11.300 3.898
57 HG3 GLU 8 HG2 GLU 8 8.008 12.443 2.568
58 H ASN 9 H ASN 9 8.155 16.356 4.707
59 HA ASN 9 HA ASN 9 7.466 18.190 3.485
60 HB2 ASN 9 HB3 ASN 9 7.826 17.857 0.993
61 HB3 ASN 9 HB2 ASN 9 9.204 17.484 2.023
62 HD21 ASN 9 HD21 ASN 9 6.383 15.816 0.465
63 HD22 ASN 9 HD22 ASN 9 7.226 14.369 0.200
64 H ASP 10 H ASP 10 5.414 15.922 4.047
65 HA ASP 10 HA ASP 10 3.227 15.418 3.499
66 HB2 ASP 10 HB3 ASP 10 3.371 18.385 2.947
67 HB3 ASP 10 HB2 ASP 10 1.863 17.472 2.915
68 H TRP 11 H TRP 11 5.416 15.590 1.276
69 HA TRP 11 HA TRP 11 3.524 15.355 -0.992
70 HB2 TRP 11 HB3 TRP 11 5.152 17.418 -0.946
71 HB3 TRP 11 HB2 TRP 11 6.369 16.243 -1.431
72 HD1 TRP 11 HD1 TRP 11 6.091 15.069 -3.806
73 HE1 TRP 11 HE1 TRP 11 4.728 15.722 -5.896
74 HE3 TRP 11 HE3 TRP 11 2.960 18.541 -1.761
75 HZ2 TRP 11 HZ2 TRP 11 2.589 17.491 -6.604
76 HZ3 TRP 11 HZ3 TRP 11 1.273 19.696 -3.160
77 HH2 TRP 11 HH2 TRP 11 1.082 19.176 -5.577
78 H SER 12 H SER 12 5.438 13.693 1.044
79 HA SER 12 HA SER 12 5.655 11.445 -0.752
80 HB2 SER 12 HB3 SER 12 8.140 11.186 -0.249
81 HB3 SER 12 HB2 SER 12 7.695 12.396 -1.434
82 HG SER 12 HG SER 12 7.635 13.453 1.023
83 H CYS 13 H CYS 13 6.562 9.512 0.352
84 HA CYS 13 HA CYS 13 5.568 9.397 3.106
85 HB2 CYS 13 HB3 CYS 13 5.167 7.690 1.096
86 HB3 CYS 13 HB2 CYS 13 6.654 6.982 1.723
87 H VAL 14 H VAL 14 6.787 8.242 4.762
88 HA VAL 14 HA VAL 14 9.448 9.276 4.969
89 HB VAL 14 HB VAL 14 9.383 7.627 7.057
90 HG11 VAL 14 HG11 VAL 14 7.777 10.152 6.636
91 HG12 VAL 14 HG12 VAL 14 9.331 9.965 7.444
92 HG13 VAL 14 HG13 VAL 14 7.863 9.368 8.214
93 HG21 VAL 14 HG21 VAL 14 6.421 7.954 6.535
94 HG22 VAL 14 HG22 VAL 14 7.216 6.916 7.716
95 HG23 VAL 14 HG23 VAL 14 7.287 6.514 6.001
96 H ARG 15 H ARG 15 8.989 5.979 5.964
97 HA ARG 15 HA ARG 15 10.616 4.960 3.724
98 HB2 ARG 15 HB3 ARG 15 11.921 5.614 5.963
99 HB3 ARG 15 HB2 ARG 15 11.310 4.057 6.509
100 HG2 ARG 15 HG3 ARG 15 12.315 2.990 4.505
101 HG3 ARG 15 HG2 ARG 15 12.958 4.551 4.010
102 HD2 ARG 15 HD3 ARG 15 14.700 3.324 5.179
103 HD3 ARG 15 HD2 ARG 15 14.188 4.684 6.174
104 HE ARG 15 HE ARG 15 13.271 3.175 7.711
105 HH11 ARG 15 HH11 ARG 15 13.041 1.074 8.545
106 HH12 ARG 15 HH12 ARG 15 13.377 -0.294 7.538
107 HH21 ARG 15 HH21 ARG 15 14.221 1.619 4.770
108 HH22 ARG 15 HH22 ARG 15 14.045 0.015 5.397
109 H VAL 16 H VAL 16 9.557 3.270 2.904
110 HA VAL 16 HA VAL 16 8.122 1.483 2.705
111 HB VAL 16 HB VAL 16 9.003 0.906 5.542
112 HG11 VAL 16 HG21 VAL 16 8.559 -1.446 4.843
113 HG12 VAL 16 HG22 VAL 16 7.936 -0.847 3.307
114 HG13 VAL 16 HG23 VAL 16 7.105 -0.450 4.810
115 HG21 VAL 16 HG31 VAL 16 10.671 -0.593 4.260
116 HG22 VAL 16 HG32 VAL 16 10.999 1.137 4.287
117 HG23 VAL 16 HG33 VAL 16 10.290 0.400 2.853
118 H CYS 17 H CYS 17 6.038 2.066 2.559
119 HA CYS 17 HA CYS 17 4.381 1.971 4.924
120 HB2 CYS 17 HB3 CYS 17 3.439 4.211 4.698
121 HB3 CYS 17 HB2 CYS 17 5.179 4.318 4.974
Start of MODEL 19
1 H GLY 1 H GLY 1 9.671 10.116 0.886
2 HA2 GLY 1 HA3 GLY 1 12.021 11.109 0.382
3 HA3 GLY 1 HA2 GLY 1 11.806 9.469 0.978
4 H ARG 2 H ARG 2 9.579 8.529 -0.006
5 HA ARG 2 HA ARG 2 10.093 7.990 -2.681
6 HB2 ARG 2 HB3 ARG 2 7.466 7.696 -1.212
7 HB3 ARG 2 HB2 ARG 2 7.938 6.834 -2.672
8 HG2 ARG 2 HG3 ARG 2 9.136 5.285 -1.490
9 HG3 ARG 2 HG2 ARG 2 9.961 6.525 -0.553
10 HD2 ARG 2 HD3 ARG 2 8.641 5.088 0.923
11 HD3 ARG 2 HD2 ARG 2 7.981 6.723 0.919
12 HE ARG 2 HE ARG 2 6.041 5.861 -0.012
13 HH11 ARG 2 HH11 ARG 2 4.754 4.210 -0.887
14 HH12 ARG 2 HH12 ARG 2 5.481 2.709 -1.358
15 HH21 ARG 2 HH21 ARG 2 8.684 3.667 -0.439
16 HH22 ARG 2 HH22 ARG 2 7.706 2.402 -1.104
17 HA PRO 3 HA PRO 3 8.252 11.475 -4.756
18 HB2 PRO 3 HB3 PRO 3 7.698 10.371 -7.196
19 HB3 PRO 3 HB2 PRO 3 9.353 10.716 -6.650
20 HG2 PRO 3 HG3 PRO 3 7.856 8.124 -6.593
21 HG3 PRO 3 HG2 PRO 3 9.520 8.447 -7.120
22 HD2 PRO 3 HD3 PRO 3 8.981 7.441 -4.652
23 HD3 PRO 3 HD2 PRO 3 10.335 8.556 -4.938
24 H ASN 4 H ASN 4 6.432 9.574 -3.165
25 HA ASN 4 HA ASN 4 3.895 10.246 -4.565
26 HB2 ASN 4 HB3 ASN 4 4.539 7.769 -2.949
27 HB3 ASN 4 HB2 ASN 4 2.939 8.188 -3.558
28 HD21 ASN 4 HD21 ASN 4 4.074 9.322 -6.109
29 HD22 ASN 4 HD22 ASN 4 4.538 7.971 -7.027
30 H TRP 5 H TRP 5 2.744 11.671 -3.459
31 HA TRP 5 HA TRP 5 3.075 13.031 -1.235
32 HB2 TRP 5 HB3 TRP 5 1.008 13.092 -2.638
33 HB3 TRP 5 HB2 TRP 5 0.416 11.688 -1.749
34 HD1 TRP 5 HD1 TRP 5 1.193 15.401 -1.335
35 HE1 TRP 5 HE1 TRP 5 0.094 16.245 0.839
36 HE3 TRP 5 HE3 TRP 5 -0.434 10.968 0.611
37 HZ2 TRP 5 HZ2 TRP 5 -1.289 15.180 3.106
38 HZ3 TRP 5 HZ3 TRP 5 -1.638 10.912 2.776
39 HH2 TRP 5 HH2 TRP 5 -2.067 13.011 4.025
40 H GLY 6 H GLY 6 3.535 12.715 0.857
41 HA2 GLY 6 HA3 GLY 6 2.271 10.647 2.402
42 HA3 GLY 6 HA2 GLY 6 3.930 10.283 2.038
43 H PHE 7 H PHE 7 4.364 10.312 4.271
44 HA PHE 7 HA PHE 7 3.861 12.455 6.009
45 HB2 PHE 7 HB3 PHE 7 5.925 10.261 6.107
46 HB3 PHE 7 HB2 PHE 7 5.594 11.371 7.437
47 HD1 PHE 7 HD1 PHE 7 3.253 11.487 8.398
48 HD2 PHE 7 HD3 PHE 7 4.487 8.413 5.663
49 HE1 PHE 7 HE1 PHE 7 1.310 10.103 9.078
50 HE2 PHE 7 HE2 PHE 7 2.544 7.029 6.344
51 HZ PHE 7 HZ PHE 7 0.956 7.874 8.051
52 H GLU 8 H GLU 8 6.947 11.709 4.249
53 HA GLU 8 HA GLU 8 8.330 13.900 5.411
54 HB2 GLU 8 HB3 GLU 8 9.903 13.705 3.482
55 HB3 GLU 8 HB2 GLU 8 9.628 12.174 4.317
56 HG2 GLU 8 HG3 GLU 8 8.200 11.394 2.613
57 HG3 GLU 8 HG2 GLU 8 8.010 12.990 1.911
58 H ASN 9 H ASN 9 8.823 15.954 4.614
59 HA ASN 9 HA ASN 9 8.113 18.015 3.834
60 HB2 ASN 9 HB3 ASN 9 7.985 18.035 1.290
61 HB3 ASN 9 HB2 ASN 9 9.480 17.415 1.988
62 HD21 ASN 9 HD21 ASN 9 6.275 16.195 0.785
63 HD22 ASN 9 HD22 ASN 9 6.913 14.753 0.193
64 H ASP 10 H ASP 10 5.940 15.890 4.464
65 HA ASP 10 HA ASP 10 3.645 15.705 4.292
66 HB2 ASP 10 HB3 ASP 10 3.982 18.010 5.313
67 HB3 ASP 10 HB2 ASP 10 3.744 18.666 3.694
68 H TRP 11 H TRP 11 5.440 15.752 1.776
69 HA TRP 11 HA TRP 11 3.208 15.777 -0.144
70 HB2 TRP 11 HB3 TRP 11 4.363 17.965 -0.351
71 HB3 TRP 11 HB2 TRP 11 5.866 17.121 -0.706
72 HD1 TRP 11 HD1 TRP 11 2.408 17.832 -2.162
73 HE1 TRP 11 HE1 TRP 11 2.451 17.311 -4.688
74 HE3 TRP 11 HE3 TRP 11 7.046 15.735 -2.550
75 HZ2 TRP 11 HZ2 TRP 11 4.221 16.156 -6.616
76 HZ3 TRP 11 HZ3 TRP 11 7.887 14.934 -4.739
77 HH2 TRP 11 HH2 TRP 11 6.481 15.141 -6.771
78 H SER 12 H SER 12 5.327 13.927 1.311
79 HA SER 12 HA SER 12 5.345 11.978 -0.775
80 HB2 SER 12 HB3 SER 12 7.828 13.528 -0.302
81 HB3 SER 12 HB2 SER 12 8.025 11.790 -0.411
82 HG SER 12 HG SER 12 7.226 13.645 -2.313
83 H CYS 13 H CYS 13 6.289 9.872 -0.001
84 HA CYS 13 HA CYS 13 5.853 9.601 2.908
85 HB2 CYS 13 HB3 CYS 13 4.521 8.066 1.679
86 HB3 CYS 13 HB2 CYS 13 5.859 7.625 0.622
87 H VAL 14 H VAL 14 7.323 8.596 4.273
88 HA VAL 14 HA VAL 14 10.078 9.042 3.651
89 HB VAL 14 HB VAL 14 10.427 7.935 5.917
90 HG11 VAL 14 HG11 VAL 14 8.568 10.288 5.542
91 HG12 VAL 14 HG12 VAL 14 10.307 10.314 5.831
92 HG13 VAL 14 HG13 VAL 14 9.207 9.823 7.118
93 HG21 VAL 14 HG21 VAL 14 8.522 7.354 7.229
94 HG22 VAL 14 HG22 VAL 14 8.235 6.600 5.662
95 HG23 VAL 14 HG23 VAL 14 7.409 8.099 6.081
96 H ARG 15 H ARG 15 10.230 6.283 5.410
97 HA ARG 15 HA ARG 15 11.239 4.759 3.162
98 HB2 ARG 15 HB3 ARG 15 11.066 4.180 6.124
99 HB3 ARG 15 HB2 ARG 15 11.760 3.063 4.947
100 HG2 ARG 15 HG3 ARG 15 13.384 4.775 4.262
101 HG3 ARG 15 HG2 ARG 15 12.684 5.905 5.420
102 HD2 ARG 15 HD3 ARG 15 13.259 4.365 7.265
103 HD3 ARG 15 HD2 ARG 15 13.983 3.254 6.104
104 HE ARG 15 HE ARG 15 15.106 5.779 7.030
105 HH11 ARG 15 HH11 ARG 15 17.240 6.169 6.357
106 HH12 ARG 15 HH12 ARG 15 17.944 5.189 5.115
107 HH21 ARG 15 HH21 ARG 15 15.110 3.238 4.681
108 HH22 ARG 15 HH22 ARG 15 16.738 3.530 4.166
109 H VAL 16 H VAL 16 8.588 4.491 5.507
110 HA VAL 16 HA VAL 16 7.230 2.605 3.679
111 HB VAL 16 HB VAL 16 7.223 2.202 6.667
112 HG11 VAL 16 HG21 VAL 16 6.770 0.332 4.321
113 HG12 VAL 16 HG22 VAL 16 5.492 1.092 5.269
114 HG13 VAL 16 HG23 VAL 16 6.578 -0.073 6.027
115 HG21 VAL 16 HG31 VAL 16 9.174 1.082 4.628
116 HG22 VAL 16 HG32 VAL 16 8.991 0.467 6.271
117 HG23 VAL 16 HG33 VAL 16 9.572 2.113 6.006
118 H CYS 17 H CYS 17 4.941 2.503 3.955
119 HA CYS 17 HA CYS 17 3.556 4.237 5.767
120 HB2 CYS 17 HB3 CYS 17 2.539 5.449 3.547
121 HB3 CYS 17 HB2 CYS 17 3.869 6.122 4.487
Start of MODEL 20
1 H GLY 1 H GLY 1 9.487 10.375 1.667
2 HA2 GLY 1 HA3 GLY 1 11.158 12.082 -0.008
3 HA3 GLY 1 HA2 GLY 1 11.430 10.393 0.402
4 H ARG 2 H ARG 2 10.143 8.772 -0.687
5 HA ARG 2 HA ARG 2 10.057 8.754 -3.360
6 HB2 ARG 2 HB3 ARG 2 8.059 7.159 -3.165
7 HB3 ARG 2 HB2 ARG 2 9.540 6.720 -2.323
8 HG2 ARG 2 HG3 ARG 2 7.664 8.381 -0.715
9 HG3 ARG 2 HG2 ARG 2 7.053 6.786 -1.141
10 HD2 ARG 2 HD3 ARG 2 9.791 7.199 0.093
11 HD3 ARG 2 HD2 ARG 2 8.341 6.918 1.049
12 HE ARG 2 HE ARG 2 8.173 4.727 0.097
13 HH11 ARG 2 HH11 ARG 2 9.273 2.895 -0.569
14 HH12 ARG 2 HH12 ARG 2 10.882 3.018 -1.196
15 HH21 ARG 2 HH21 ARG 2 11.060 6.455 -0.863
16 HH22 ARG 2 HH22 ARG 2 11.886 5.018 -1.361
17 HA PRO 3 HA PRO 3 7.202 12.316 -4.065
18 HB2 PRO 3 HB3 PRO 3 7.530 11.275 -6.854
19 HB3 PRO 3 HB2 PRO 3 7.620 12.942 -6.253
20 HG2 PRO 3 HG3 PRO 3 9.820 11.540 -6.880
21 HG3 PRO 3 HG2 PRO 3 9.797 12.722 -5.560
22 HD2 PRO 3 HD3 PRO 3 9.878 9.749 -5.401
23 HD3 PRO 3 HD2 PRO 3 10.444 10.952 -4.230
24 H ASN 4 H ASN 4 5.269 11.605 -3.214
25 HA ASN 4 HA ASN 4 3.243 10.694 -4.927
26 HB2 ASN 4 HB3 ASN 4 2.855 8.436 -3.822
27 HB3 ASN 4 HB2 ASN 4 4.204 8.519 -4.950
28 HD21 ASN 4 HD21 ASN 4 3.716 9.235 -1.436
29 HD22 ASN 4 HD22 ASN 4 5.128 8.435 -0.938
30 H TRP 5 H TRP 5 3.969 12.501 -2.609
31 HA TRP 5 HA TRP 5 3.015 13.351 -0.680
32 HB2 TRP 5 HB3 TRP 5 1.241 13.740 -2.399
33 HB3 TRP 5 HB2 TRP 5 0.485 12.229 -1.890
34 HD1 TRP 5 HD1 TRP 5 1.265 15.760 -0.660
35 HE1 TRP 5 HE1 TRP 5 -0.190 16.254 1.409
36 HE3 TRP 5 HE3 TRP 5 -0.802 11.152 0.083
37 HZ2 TRP 5 HZ2 TRP 5 -1.994 14.873 3.151
38 HZ3 TRP 5 HZ3 TRP 5 -2.378 10.766 1.951
39 HH2 TRP 5 HH2 TRP 5 -2.978 12.619 3.486
40 H GLY 6 H GLY 6 3.628 12.344 1.126
41 HA2 GLY 6 HA3 GLY 6 2.003 10.051 2.055
42 HA3 GLY 6 HA2 GLY 6 3.741 9.995 2.130
43 H PHE 7 H PHE 7 4.857 11.218 3.687
44 HA PHE 7 HA PHE 7 3.277 12.868 5.535
45 HB2 PHE 7 HB3 PHE 7 4.935 10.500 6.454
46 HB3 PHE 7 HB2 PHE 7 4.077 11.641 7.489
47 HD1 PHE 7 HD1 PHE 7 3.815 8.626 5.552
48 HD2 PHE 7 HD3 PHE 7 1.541 11.873 7.206
49 HE1 PHE 7 HE1 PHE 7 1.743 7.282 5.342
50 HE2 PHE 7 HE2 PHE 7 -0.532 10.529 6.997
51 HZ PHE 7 HZ PHE 7 -0.431 8.232 6.067
52 H GLU 8 H GLU 8 6.445 11.639 4.497
53 HA GLU 8 HA GLU 8 8.160 13.077 6.080
54 HB2 GLU 8 HB3 GLU 8 9.638 13.226 3.982
55 HB3 GLU 8 HB2 GLU 8 9.159 11.617 4.522
56 HG2 GLU 8 HG3 GLU 8 7.711 11.313 2.755
57 HG3 GLU 8 HG2 GLU 8 7.380 13.025 2.554
58 H ASN 9 H ASN 9 8.515 14.399 2.978
59 HA ASN 9 HA ASN 9 8.396 17.081 3.981
60 HB2 ASN 9 HB3 ASN 9 8.982 17.726 1.691
61 HB3 ASN 9 HB2 ASN 9 10.016 16.420 2.263
62 HD21 ASN 9 HD21 ASN 9 6.894 15.161 1.588
63 HD22 ASN 9 HD22 ASN 9 7.226 14.596 0.025
64 H ASP 10 H ASP 10 5.898 15.527 4.049
65 HA ASP 10 HA ASP 10 3.657 15.812 3.650
66 HB2 ASP 10 HB3 ASP 10 4.678 18.603 3.121
67 HB3 ASP 10 HB2 ASP 10 2.965 18.193 3.095
68 H TRP 11 H TRP 11 5.901 15.837 1.258
69 HA TRP 11 HA TRP 11 3.874 15.916 -0.900
70 HB2 TRP 11 HB3 TRP 11 5.632 17.738 -0.976
71 HB3 TRP 11 HB2 TRP 11 6.825 16.464 -1.234
72 HD1 TRP 11 HD1 TRP 11 3.426 17.510 -2.768
73 HE1 TRP 11 HE1 TRP 11 3.553 17.143 -5.316
74 HE3 TRP 11 HE3 TRP 11 8.143 15.593 -3.150
75 HZ2 TRP 11 HZ2 TRP 11 5.409 16.170 -7.260
76 HZ3 TRP 11 HZ3 TRP 11 9.065 14.956 -5.360
77 HH2 TRP 11 HH2 TRP 11 7.705 15.242 -7.414
78 H SER 12 H SER 12 5.376 13.813 0.968
79 HA SER 12 HA SER 12 5.133 11.673 -0.887
80 HB2 SER 12 HB3 SER 12 7.770 11.174 -0.362
81 HB3 SER 12 HB2 SER 12 7.179 11.884 -1.850
82 HG SER 12 HG SER 12 8.877 13.072 -0.747
83 H CYS 13 H CYS 13 6.533 9.686 0.195
84 HA CYS 13 HA CYS 13 5.689 9.634 3.045
85 HB2 CYS 13 HB3 CYS 13 4.618 8.070 1.187
86 HB3 CYS 13 HB2 CYS 13 6.075 7.120 1.455
87 H VAL 14 H VAL 14 6.967 8.108 4.406
88 HA VAL 14 HA VAL 14 9.806 8.630 3.988
89 HB VAL 14 HB VAL 14 10.044 7.724 6.281
90 HG11 VAL 14 HG11 VAL 14 9.636 10.060 6.213
91 HG12 VAL 14 HG12 VAL 14 8.462 9.448 7.378
92 HG13 VAL 14 HG13 VAL 14 7.952 9.838 5.735
93 HG21 VAL 14 HG21 VAL 14 7.063 7.259 5.974
94 HG22 VAL 14 HG22 VAL 14 7.911 7.203 7.518
95 HG23 VAL 14 HG23 VAL 14 8.302 6.036 6.253
96 H ARG 15 H ARG 15 11.040 6.529 5.194
97 HA ARG 15 HA ARG 15 11.246 4.632 3.131
98 HB2 ARG 15 HB3 ARG 15 13.033 5.092 4.780
99 HB3 ARG 15 HB2 ARG 15 12.058 4.321 6.031
100 HG2 ARG 15 HG3 ARG 15 12.094 2.205 4.797
101 HG3 ARG 15 HG2 ARG 15 12.995 2.965 3.485
102 HD2 ARG 15 HD3 ARG 15 14.853 3.440 5.030
103 HD3 ARG 15 HD2 ARG 15 13.953 2.698 6.348
104 HE ARG 15 HE ARG 15 14.116 0.801 4.306
105 HH11 ARG 15 HH11 ARG 15 15.725 -0.800 4.360
106 HH12 ARG 15 HH12 ARG 15 17.164 -0.543 5.290
107 HH21 ARG 15 HH21 ARG 15 16.204 2.600 6.397
108 HH22 ARG 15 HH22 ARG 15 17.435 1.382 6.444
109 H VAL 16 H VAL 16 9.534 4.500 6.246
110 HA VAL 16 HA VAL 16 8.384 1.882 5.538
111 HB VAL 16 HB VAL 16 7.969 3.466 8.077
112 HG11 VAL 16 HG21 VAL 16 7.766 0.511 7.420
113 HG12 VAL 16 HG22 VAL 16 6.399 1.607 7.616
114 HG13 VAL 16 HG23 VAL 16 7.442 1.243 8.991
115 HG21 VAL 16 HG31 VAL 16 10.101 1.404 7.424
116 HG22 VAL 16 HG32 VAL 16 9.795 2.082 9.023
117 HG23 VAL 16 HG33 VAL 16 10.383 3.120 7.724
118 H CYS 17 H CYS 17 6.573 1.889 4.391
119 HA CYS 17 HA CYS 17 4.339 3.588 5.168
120 HB2 CYS 17 HB3 CYS 17 5.564 3.751 2.402
121 HB3 CYS 17 HB2 CYS 17 4.032 4.480 2.882