Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
624256 | 6ey3 RC | 34198 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 1.807 0.001 0.856
2 HA CYS 1 HA CYS 1 1.395 -0.041 -2.062
3 HB2 CYS 1 2HB CYS 1 3.492 1.414 -0.447
4 HB3 CYS 1 3HB CYS 1 3.600 1.190 -2.190
5 H ARG 2 H ARG 2 2.854 -1.320 -3.365
6 HA ARG 2 HA ARG 2 3.866 -3.521 -1.882
7 HB2 ARG 2 3HB ARG 2 6.065 -2.798 -3.601
8 HB3 ARG 2 2HB ARG 2 5.663 -1.378 -2.655
9 HG2 ARG 2 3HG ARG 2 5.628 -3.807 -0.998
10 HG3 ARG 2 2HG ARG 2 7.175 -3.604 -1.796
11 HD2 ARG 2 3HD ARG 2 5.766 -1.474 -0.114
12 HD3 ARG 2 2HD ARG 2 7.123 -2.447 0.416
13 HE ARG 2 HE ARG 2 7.846 -1.163 -2.037
14 HH11 ARG 2 1HH1 ARG 2 9.365 1.629 -0.596
15 HH12 ARG 2 2HH1 ARG 2 9.196 0.681 -2.035
16 HH21 ARG 2 1HH2 ARG 2 8.219 1.028 1.331
17 HH22 ARG 2 2HH2 ARG 2 7.195 -0.369 1.329
18 HA PRO 3 HA PRO 3 3.082 -5.428 -5.725
19 HB2 PRO 3 3HB PRO 3 3.291 -7.548 -4.851
20 HB3 PRO 3 2HB PRO 3 4.786 -7.564 -5.764
21 HG2 PRO 3 3HG PRO 3 4.617 -7.687 -2.969
22 HG3 PRO 3 2HG PRO 3 6.065 -7.278 -3.867
23 HD2 PRO 3 3HD PRO 3 4.451 -5.530 -2.192
24 HD3 PRO 3 2HD PRO 3 5.961 -5.153 -2.997
25 H LEU 4 H LEU 4 4.134 -3.221 -6.456
26 HA LEU 4 HA LEU 4 6.323 -4.033 -8.241
27 HB2 LEU 4 3HB LEU 4 6.188 -1.206 -7.958
28 HB3 LEU 4 2HB LEU 4 6.120 -1.902 -6.351
29 HG LEU 4 HG LEU 4 8.281 -2.336 -8.428
30 HD11 LEU 4 1HD2 LEU 4 9.169 -1.372 -5.857
31 HD12 LEU 4 2HD2 LEU 4 7.915 -0.301 -6.526
32 HD13 LEU 4 3HD2 LEU 4 9.378 -0.659 -7.474
33 HD21 LEU 4 1HD1 LEU 4 8.578 -4.334 -7.469
34 HD22 LEU 4 2HD1 LEU 4 7.540 -3.933 -6.080
35 HD23 LEU 4 3HD1 LEU 4 9.243 -3.416 -6.097
36 H TRP 5 H TRP 5 3.180 -2.387 -7.851
37 HA TRP 5 HA TRP 5 1.688 -1.664 -9.320
38 HB2 TRP 5 3HB TRP 5 2.921 -3.725 -11.157
39 HB3 TRP 5 2HB TRP 5 1.750 -4.072 -9.901
40 HD1 TRP 5 HD1 TRP 5 1.932 -2.975 -13.492
41 HE1 TRP 5 HE1 TRP 5 -0.444 -2.458 -14.519
42 HE3 TRP 5 HE3 TRP 5 -0.571 -3.014 -9.066
43 HZ2 TRP 5 HZ2 TRP 5 -3.044 -2.130 -13.390
44 HZ3 TRP 5 HZ3 TRP 5 -3.026 -2.586 -9.116
45 HH2 TRP 5 HH2 TRP 5 -4.261 -2.155 -11.181
46 H THR 6 H THR 6 4.314 -0.313 -9.109
47 HA THR 6 HA THR 6 4.249 1.023 -11.716
48 HB THR 6 HB THR 6 6.673 -0.146 -10.267
49 HG1 THR 6 HG1 THR 6 6.052 -1.573 -11.860
50 HG21 THR 6 1HG2 THR 6 6.766 1.536 -12.804
51 HG22 THR 6 2HG2 THR 6 8.116 1.040 -11.756
52 HG23 THR 6 3HG2 THR 6 6.979 2.295 -11.208
53 H ALA 7 H ALA 7 5.467 1.078 -8.309
54 HA ALA 7 HA ALA 7 4.708 3.909 -8.275
55 HB1 ALA 7 1HB ALA 7 6.824 4.089 -6.715
56 HB2 ALA 7 2HB ALA 7 7.018 4.148 -8.483
57 HB3 ALA 7 3HB ALA 7 7.359 2.640 -7.600
58 H CYS 8 H CYS 8 3.005 2.046 -7.483
59 HA CYS 8 HA CYS 8 3.301 1.254 -4.750
60 HB2 CYS 8 2HB CYS 8 2.889 3.578 -4.291
61 HB3 CYS 8 3HB CYS 8 1.530 3.611 -5.411
62 H GLY 9 H GLY 9 0.441 2.363 -6.552
63 HA2 GLY 9 2HA GLY 9 -0.448 -0.450 -6.682
64 HA3 GLY 9 3HA GLY 9 -1.536 0.832 -6.170
Start of MODEL 2
1 H1 CYS 1 H CYS 1 2.573 -0.779 1.759
2 HA CYS 1 HA CYS 1 1.156 -1.395 -0.253
3 HB2 CYS 1 2HB CYS 1 2.085 -0.390 -2.383
4 HB3 CYS 1 3HB CYS 1 1.179 0.716 -1.355
5 H ARG 2 H ARG 2 2.495 -2.292 -2.481
6 HA ARG 2 HA ARG 2 4.105 -4.255 -1.346
7 HB2 ARG 2 3HB ARG 2 5.934 -2.723 -1.232
8 HB3 ARG 2 2HB ARG 2 6.228 -3.623 -2.706
9 HG2 ARG 2 3HG ARG 2 5.041 -1.768 -3.992
10 HG3 ARG 2 2HG ARG 2 4.957 -0.854 -2.499
11 HD2 ARG 2 3HD ARG 2 7.672 -1.907 -3.155
12 HD3 ARG 2 2HD ARG 2 7.056 -0.723 -4.291
13 HE ARG 2 HE ARG 2 7.099 0.935 -2.597
14 HH11 ARG 2 1HH1 ARG 2 8.387 0.679 0.637
15 HH12 ARG 2 2HH1 ARG 2 7.835 1.762 -0.598
16 HH21 ARG 2 1HH2 ARG 2 8.379 -1.611 0.260
17 HH22 ARG 2 2HH2 ARG 2 7.821 -2.238 -1.255
18 HA PRO 3 HA PRO 3 3.086 -5.988 -5.216
19 HB2 PRO 3 3HB PRO 3 3.513 -8.129 -4.485
20 HB3 PRO 3 2HB PRO 3 4.930 -7.984 -5.506
21 HG2 PRO 3 3HG PRO 3 4.989 -8.268 -2.718
22 HG3 PRO 3 2HG PRO 3 6.330 -7.703 -3.696
23 HD2 PRO 3 3HD PRO 3 4.731 -6.173 -1.806
24 HD3 PRO 3 2HD PRO 3 6.143 -5.642 -2.697
25 H LEU 4 H LEU 4 3.924 -3.669 -5.886
26 HA LEU 4 HA LEU 4 5.978 -4.235 -7.910
27 HB2 LEU 4 3HB LEU 4 5.774 -1.446 -7.359
28 HB3 LEU 4 2HB LEU 4 5.918 -2.289 -5.830
29 HG LEU 4 HG LEU 4 7.836 -2.449 -8.169
30 HD11 LEU 4 1HD2 LEU 4 9.108 -0.911 -7.158
31 HD12 LEU 4 2HD2 LEU 4 8.833 -1.602 -5.541
32 HD13 LEU 4 3HD2 LEU 4 7.632 -0.498 -6.252
33 HD21 LEU 4 1HD1 LEU 4 7.762 -3.996 -5.576
34 HD22 LEU 4 2HD1 LEU 4 9.250 -3.781 -6.529
35 HD23 LEU 4 3HD1 LEU 4 7.849 -4.617 -7.242
36 H TRP 5 H TRP 5 2.858 -2.702 -7.071
37 HA TRP 5 HA TRP 5 1.213 -1.903 -8.322
38 HB2 TRP 5 3HB TRP 5 2.256 -3.826 -10.408
39 HB3 TRP 5 2HB TRP 5 1.228 -4.268 -9.059
40 HD1 TRP 5 HD1 TRP 5 -1.312 -2.924 -9.094
41 HE1 TRP 5 HE1 TRP 5 -2.929 -2.385 -11.109
42 HE3 TRP 5 HE3 TRP 5 2.224 -3.326 -12.726
43 HZ2 TRP 5 HZ2 TRP 5 -2.556 -2.190 -13.931
44 HZ3 TRP 5 HZ3 TRP 5 1.514 -2.946 -15.085
45 HH2 TRP 5 HH2 TRP 5 -0.783 -2.396 -15.713
46 H THR 6 H THR 6 3.795 -0.496 -8.289
47 HA THR 6 HA THR 6 3.895 0.597 -11.014
48 HB THR 6 HB THR 6 6.106 1.513 -10.182
49 HG1 THR 6 HG1 THR 6 6.134 1.514 -7.967
50 HG21 THR 6 1HG2 THR 6 6.074 -1.402 -9.362
51 HG22 THR 6 2HG2 THR 6 7.290 -0.520 -10.317
52 HG23 THR 6 3HG2 THR 6 5.745 -0.993 -11.062
53 H ALA 7 H ALA 7 1.645 1.129 -9.209
54 HA ALA 7 HA ALA 7 0.449 2.835 -8.464
55 HB1 ALA 7 1HB ALA 7 2.080 3.909 -10.692
56 HB2 ALA 7 2HB ALA 7 1.396 5.144 -9.607
57 HB3 ALA 7 3HB ALA 7 0.322 3.981 -10.422
58 H CYS 8 H CYS 8 2.053 2.062 -6.601
59 HA CYS 8 HA CYS 8 2.412 4.224 -4.895
60 HB2 CYS 8 2HB CYS 8 2.477 1.522 -4.599
61 HB3 CYS 8 3HB CYS 8 4.183 1.913 -4.408
62 H GLY 9 H GLY 9 4.692 2.662 -7.079
63 HA2 GLY 9 2HA GLY 9 6.590 4.853 -6.511
64 HA3 GLY 9 3HA GLY 9 7.135 3.195 -6.713
Start of MODEL 3
1 H1 CYS 1 H CYS 1 1.641 -0.450 0.196
2 HA CYS 1 HA CYS 1 2.137 0.637 -2.239
3 HB2 CYS 1 2HB CYS 1 4.267 1.639 -0.342
4 HB3 CYS 1 3HB CYS 1 4.159 1.942 -2.074
5 H ARG 2 H ARG 2 3.336 -0.818 -3.475
6 HA ARG 2 HA ARG 2 4.543 -2.922 -1.926
7 HB2 ARG 2 3HB ARG 2 6.525 -2.852 -3.661
8 HB3 ARG 2 2HB ARG 2 6.011 -1.205 -3.968
9 HG2 ARG 2 3HG ARG 2 7.670 -0.992 -2.274
10 HG3 ARG 2 2HG ARG 2 6.153 -0.829 -1.412
11 HD2 ARG 2 3HD ARG 2 6.983 -3.650 -1.621
12 HD3 ARG 2 2HD ARG 2 8.209 -2.671 -0.839
13 HE ARG 2 HE ARG 2 5.503 -3.241 0.178
14 HH11 ARG 2 1HH1 ARG 2 6.108 -1.505 3.145
15 HH12 ARG 2 2HH1 ARG 2 5.038 -2.588 2.318
16 HH21 ARG 2 1HH2 ARG 2 8.013 -0.718 2.079
17 HH22 ARG 2 2HH2 ARG 2 8.365 -1.212 0.457
18 HA PRO 3 HA PRO 3 2.934 -5.305 -5.204
19 HB2 PRO 3 3HB PRO 3 3.274 -7.284 -4.077
20 HB3 PRO 3 2HB PRO 3 4.558 -7.503 -5.249
21 HG2 PRO 3 3HG PRO 3 4.945 -7.213 -2.488
22 HG3 PRO 3 2HG PRO 3 6.193 -7.007 -3.701
23 HD2 PRO 3 3HD PRO 3 4.975 -4.960 -2.029
24 HD3 PRO 3 2HD PRO 3 6.302 -4.776 -3.158
25 H LEU 4 H LEU 4 3.896 -3.265 -6.428
26 HA LEU 4 HA LEU 4 5.632 -4.446 -8.483
27 HB2 LEU 4 3HB LEU 4 6.640 -2.347 -8.818
28 HB3 LEU 4 2HB LEU 4 5.429 -1.509 -7.867
29 HG LEU 4 HG LEU 4 6.311 -2.330 -5.816
30 HD11 LEU 4 1HD2 LEU 4 6.965 -4.469 -5.798
31 HD12 LEU 4 2HD2 LEU 4 8.562 -3.834 -6.261
32 HD13 LEU 4 3HD2 LEU 4 7.448 -4.439 -7.511
33 HD21 LEU 4 1HD1 LEU 4 8.842 -1.781 -7.336
34 HD22 LEU 4 2HD1 LEU 4 8.332 -1.213 -5.728
35 HD23 LEU 4 3HD1 LEU 4 7.589 -0.526 -7.192
36 H TRP 5 H TRP 5 2.671 -2.660 -7.679
37 HA TRP 5 HA TRP 5 0.862 -2.204 -8.870
38 HB2 TRP 5 3HB TRP 5 2.001 -4.082 -10.949
39 HB3 TRP 5 2HB TRP 5 1.056 -4.572 -9.557
40 HD1 TRP 5 HD1 TRP 5 -1.583 -3.400 -9.540
41 HE1 TRP 5 HE1 TRP 5 -3.305 -3.077 -11.514
42 HE3 TRP 5 HE3 TRP 5 1.845 -3.725 -13.281
43 HZ2 TRP 5 HZ2 TRP 5 -3.045 -2.996 -14.355
44 HZ3 TRP 5 HZ3 TRP 5 1.028 -3.513 -15.626
45 HH2 TRP 5 HH2 TRP 5 -1.324 -3.160 -16.191
46 H THR 6 H THR 6 3.677 -0.889 -9.206
47 HA THR 6 HA THR 6 3.415 0.253 -11.869
48 HB THR 6 HB THR 6 5.473 0.472 -9.613
49 HG1 THR 6 HG1 THR 6 6.639 -0.682 -11.441
50 HG21 THR 6 1HG2 THR 6 5.134 2.003 -12.170
51 HG22 THR 6 2HG2 THR 6 6.747 1.299 -11.898
52 HG23 THR 6 3HG2 THR 6 6.058 2.433 -10.710
53 H ALA 7 H ALA 7 4.210 1.892 -8.757
54 HA ALA 7 HA ALA 7 1.847 3.344 -8.571
55 HB1 ALA 7 1HB ALA 7 3.494 4.203 -10.730
56 HB2 ALA 7 2HB ALA 7 3.645 5.424 -9.443
57 HB3 ALA 7 3HB ALA 7 2.039 4.995 -10.080
58 H CYS 8 H CYS 8 2.133 3.010 -6.441
59 HA CYS 8 HA CYS 8 3.656 4.831 -4.945
60 HB2 CYS 8 2HB CYS 8 1.573 3.200 -4.380
61 HB3 CYS 8 3HB CYS 8 2.880 2.303 -3.615
62 H GLY 9 H GLY 9 4.424 1.715 -6.241
63 HA2 GLY 9 2HA GLY 9 6.648 1.203 -4.491
64 HA3 GLY 9 3HA GLY 9 6.249 0.321 -5.957
Start of MODEL 4
1 H1 CYS 1 H CYS 1 1.734 0.065 0.805
2 HA CYS 1 HA CYS 1 0.419 -0.776 -1.550
3 HB2 CYS 1 2HB CYS 1 1.352 0.646 -3.209
4 HB3 CYS 1 3HB CYS 1 0.676 1.711 -1.981
5 H ARG 2 H ARG 2 2.552 -1.028 -3.377
6 HA ARG 2 HA ARG 2 4.168 -2.854 -1.845
7 HB2 ARG 2 3HB ARG 2 6.205 -1.971 -3.282
8 HB3 ARG 2 2HB ARG 2 5.238 -0.522 -3.478
9 HG2 ARG 2 3HG ARG 2 5.676 0.177 -1.357
10 HG3 ARG 2 2HG ARG 2 5.259 -1.383 -0.675
11 HD2 ARG 2 3HD ARG 2 7.943 -0.675 -1.961
12 HD3 ARG 2 2HD ARG 2 7.646 -0.808 -0.239
13 HE ARG 2 HE ARG 2 8.094 -3.000 -2.067
14 HH11 ARG 2 1HH1 ARG 2 7.111 -5.485 0.177
15 HH12 ARG 2 2HH1 ARG 2 7.941 -5.149 -1.306
16 HH21 ARG 2 1HH2 ARG 2 6.155 -3.753 1.390
17 HH22 ARG 2 2HH2 ARG 2 6.271 -2.124 0.812
18 HA PRO 3 HA PRO 3 3.664 -5.178 -5.500
19 HB2 PRO 3 3HB PRO 3 4.220 -7.142 -4.434
20 HB3 PRO 3 2HB PRO 3 5.718 -6.973 -5.328
21 HG2 PRO 3 3HG PRO 3 5.502 -6.878 -2.535
22 HG3 PRO 3 2HG PRO 3 6.878 -6.299 -3.453
23 HD2 PRO 3 3HD PRO 3 4.939 -4.724 -1.959
24 HD3 PRO 3 2HD PRO 3 6.380 -4.158 -2.780
25 H LEU 4 H LEU 4 4.309 -2.908 -6.442
26 HA LEU 4 HA LEU 4 6.609 -3.504 -8.170
27 HB2 LEU 4 3HB LEU 4 6.173 -0.711 -8.048
28 HB3 LEU 4 2HB LEU 4 6.144 -1.298 -6.397
29 HG LEU 4 HG LEU 4 8.383 -1.622 -8.409
30 HD11 LEU 4 1HD2 LEU 4 8.880 0.420 -7.629
31 HD12 LEU 4 2HD2 LEU 4 9.450 -0.452 -6.186
32 HD13 LEU 4 3HD2 LEU 4 7.816 0.253 -6.212
33 HD21 LEU 4 1HD1 LEU 4 9.502 -2.520 -6.152
34 HD22 LEU 4 2HD1 LEU 4 8.700 -3.589 -7.328
35 HD23 LEU 4 3HD1 LEU 4 7.831 -3.061 -5.866
36 H TRP 5 H TRP 5 3.340 -2.066 -7.806
37 HA TRP 5 HA TRP 5 1.771 -1.565 -9.289
38 HB2 TRP 5 3HB TRP 5 3.050 -3.747 -10.945
39 HB3 TRP 5 2HB TRP 5 1.937 -4.015 -9.618
40 HD1 TRP 5 HD1 TRP 5 1.871 -3.720 -13.271
41 HE1 TRP 5 HE1 TRP 5 -0.528 -3.272 -14.273
42 HE3 TRP 5 HE3 TRP 5 -0.296 -2.400 -8.865
43 HZ2 TRP 5 HZ2 TRP 5 -3.008 -2.434 -13.136
44 HZ3 TRP 5 HZ3 TRP 5 -2.711 -1.781 -8.898
45 HH2 TRP 5 HH2 TRP 5 -4.059 -1.783 -10.937
46 H THR 6 H THR 6 4.293 -0.047 -9.306
47 HA THR 6 HA THR 6 4.086 0.997 -12.033
48 HB THR 6 HB THR 6 6.682 1.225 -11.889
49 HG1 THR 6 HG1 THR 6 6.984 0.635 -9.698
50 HG21 THR 6 1HG2 THR 6 6.752 -0.618 -13.239
51 HG22 THR 6 2HG2 THR 6 5.060 -0.943 -12.793
52 HG23 THR 6 3HG2 THR 6 6.384 -1.682 -11.860
53 H ALA 7 H ALA 7 5.517 1.472 -8.737
54 HA ALA 7 HA ALA 7 4.432 4.175 -8.815
55 HB1 ALA 7 1HB ALA 7 6.449 5.256 -8.584
56 HB2 ALA 7 2HB ALA 7 6.994 3.872 -9.562
57 HB3 ALA 7 3HB ALA 7 7.230 3.863 -7.798
58 H CYS 8 H CYS 8 3.174 2.335 -7.518
59 HA CYS 8 HA CYS 8 4.184 1.931 -4.836
60 HB2 CYS 8 2HB CYS 8 2.878 4.280 -5.244
61 HB3 CYS 8 3HB CYS 8 1.531 3.228 -4.819
62 H GLY 9 H GLY 9 1.009 2.031 -6.473
63 HA2 GLY 9 2HA GLY 9 -0.566 0.393 -6.805
64 HA3 GLY 9 3HA GLY 9 0.736 -0.775 -6.645
Start of MODEL 5
1 H1 CYS 1 H CYS 1 1.452 0.911 1.075
2 HA CYS 1 HA CYS 1 1.494 -0.281 -1.115
3 HB2 CYS 1 2HB CYS 1 3.142 2.000 -0.373
4 HB3 CYS 1 3HB CYS 1 3.819 1.118 -1.738
5 H ARG 2 H ARG 2 3.332 -0.987 -2.819
6 HA ARG 2 HA ARG 2 4.747 -3.068 -1.404
7 HB2 ARG 2 3HB ARG 2 6.674 -2.510 -3.214
8 HB3 ARG 2 2HB ARG 2 5.987 -0.901 -3.106
9 HG2 ARG 2 3HG ARG 2 7.357 -0.639 -1.298
10 HG3 ARG 2 2HG ARG 2 6.154 -1.573 -0.431
11 HD2 ARG 2 3HD ARG 2 8.169 -3.173 -1.967
12 HD3 ARG 2 2HD ARG 2 8.796 -2.284 -0.593
13 HE ARG 2 HE ARG 2 7.054 -4.610 -0.496
14 HH11 ARG 2 1HH1 ARG 2 6.545 -4.405 2.950
15 HH12 ARG 2 2HH1 ARG 2 6.394 -5.404 1.542
16 HH21 ARG 2 1HH2 ARG 2 7.417 -2.262 2.764
17 HH22 ARG 2 2HH2 ARG 2 7.917 -1.661 1.219
18 HA PRO 3 HA PRO 3 3.572 -5.369 -4.918
19 HB2 PRO 3 3HB PRO 3 4.199 -7.366 -3.959
20 HB3 PRO 3 2HB PRO 3 5.514 -7.282 -5.115
21 HG2 PRO 3 3HG PRO 3 5.823 -7.184 -2.331
22 HG3 PRO 3 2HG PRO 3 7.038 -6.684 -3.491
23 HD2 PRO 3 3HD PRO 3 5.504 -5.004 -1.677
24 HD3 PRO 3 2HD PRO 3 6.799 -4.520 -2.754
25 H LEU 4 H LEU 4 4.182 -3.126 -5.965
26 HA LEU 4 HA LEU 4 6.122 -3.830 -8.058
27 HB2 LEU 4 3HB LEU 4 5.722 -1.020 -7.916
28 HB3 LEU 4 2HB LEU 4 6.005 -1.593 -6.284
29 HG LEU 4 HG LEU 4 8.048 -0.842 -7.514
30 HD11 LEU 4 1HD2 LEU 4 9.357 -2.253 -6.329
31 HD12 LEU 4 2HD2 LEU 4 8.557 -3.712 -6.962
32 HD13 LEU 4 3HD2 LEU 4 7.792 -2.771 -5.658
33 HD21 LEU 4 1HD1 LEU 4 8.536 -1.560 -9.554
34 HD22 LEU 4 2HD1 LEU 4 7.021 -2.494 -9.560
35 HD23 LEU 4 3HD1 LEU 4 8.531 -3.253 -9.002
36 H TRP 5 H TRP 5 2.947 -2.416 -7.200
37 HA TRP 5 HA TRP 5 1.116 -2.079 -8.396
38 HB2 TRP 5 3HB TRP 5 2.372 -3.922 -10.437
39 HB3 TRP 5 2HB TRP 5 1.474 -4.444 -9.026
40 HD1 TRP 5 HD1 TRP 5 -1.243 -3.480 -9.014
41 HE1 TRP 5 HE1 TRP 5 -2.996 -3.321 -10.980
42 HE3 TRP 5 HE3 TRP 5 2.177 -3.608 -12.775
43 HZ2 TRP 5 HZ2 TRP 5 -2.761 -3.267 -13.823
44 HZ3 TRP 5 HZ3 TRP 5 1.331 -3.498 -15.117
45 HH2 TRP 5 HH2 TRP 5 -1.044 -3.333 -15.670
46 H THR 6 H THR 6 3.658 -0.432 -8.662
47 HA THR 6 HA THR 6 3.369 0.577 -11.393
48 HB THR 6 HB THR 6 5.483 1.806 -10.773
49 HG1 THR 6 HG1 THR 6 6.301 1.001 -8.584
50 HG21 THR 6 1HG2 THR 6 5.618 -1.128 -9.907
51 HG22 THR 6 2HG2 THR 6 6.963 -0.132 -10.515
52 HG23 THR 6 3HG2 THR 6 5.638 -0.602 -11.608
53 H ALA 7 H ALA 7 1.242 0.884 -9.308
54 HA ALA 7 HA ALA 7 -0.083 2.456 -8.480
55 HB1 ALA 7 1HB ALA 7 -0.806 3.870 -10.105
56 HB2 ALA 7 2HB ALA 7 0.387 3.028 -11.123
57 HB3 ALA 7 3HB ALA 7 0.810 4.574 -10.349
58 H CYS 8 H CYS 8 1.873 2.226 -6.854
59 HA CYS 8 HA CYS 8 2.134 4.648 -5.517
60 HB2 CYS 8 2HB CYS 8 2.754 2.011 -4.976
61 HB3 CYS 8 3HB CYS 8 4.332 2.792 -4.988
62 H GLY 9 H GLY 9 4.259 3.117 -7.868
63 HA2 GLY 9 2HA GLY 9 5.382 5.305 -8.976
64 HA3 GLY 9 3HA GLY 9 6.339 5.098 -7.517
Start of MODEL 6
1 H1 CYS 1 H CYS 1 1.082 0.340 0.134
2 HA CYS 1 HA CYS 1 0.912 -1.624 -1.403
3 HB2 CYS 1 2HB CYS 1 2.050 -0.484 -3.388
4 HB3 CYS 1 3HB CYS 1 0.804 0.437 -2.551
5 H ARG 2 H ARG 2 2.608 -2.375 -3.407
6 HA ARG 2 HA ARG 2 4.336 -4.068 -2.011
7 HB2 ARG 2 3HB ARG 2 6.153 -2.704 -3.827
8 HB3 ARG 2 2HB ARG 2 5.451 -1.520 -2.742
9 HG2 ARG 2 3HG ARG 2 6.131 -3.876 -1.201
10 HG3 ARG 2 2HG ARG 2 7.519 -3.436 -2.176
11 HD2 ARG 2 3HD ARG 2 6.012 -1.624 -0.232
12 HD3 ARG 2 2HD ARG 2 7.641 -2.240 -0.039
13 HE ARG 2 HE ARG 2 7.768 -0.898 -2.457
14 HH11 ARG 2 1HH1 ARG 2 8.051 2.418 -1.410
15 HH12 ARG 2 2HH1 ARG 2 8.321 1.305 -2.709
16 HH21 ARG 2 1HH2 ARG 2 7.128 1.674 0.585
17 HH22 ARG 2 2HH2 ARG 2 6.709 0.004 0.775
18 HA PRO 3 HA PRO 3 3.874 -6.118 -5.832
19 HB2 PRO 3 3HB PRO 3 4.443 -8.153 -4.920
20 HB3 PRO 3 2HB PRO 3 5.935 -7.911 -5.806
21 HG2 PRO 3 3HG PRO 3 5.734 -8.027 -3.013
22 HG3 PRO 3 2HG PRO 3 7.103 -7.375 -3.892
23 HD2 PRO 3 3HD PRO 3 5.167 -5.925 -2.274
24 HD3 PRO 3 2HD PRO 3 6.601 -5.293 -3.058
25 H LEU 4 H LEU 4 4.532 -3.762 -6.572
26 HA LEU 4 HA LEU 4 6.767 -4.250 -8.415
27 HB2 LEU 4 3HB LEU 4 6.554 -1.487 -8.024
28 HB3 LEU 4 2HB LEU 4 6.410 -2.180 -6.421
29 HG LEU 4 HG LEU 4 8.699 -2.527 -8.371
30 HD11 LEU 4 1HD2 LEU 4 8.530 -1.235 -5.635
31 HD12 LEU 4 2HD2 LEU 4 8.719 -0.405 -7.198
32 HD13 LEU 4 3HD2 LEU 4 10.019 -1.456 -6.585
33 HD21 LEU 4 1HD1 LEU 4 7.878 -4.199 -6.083
34 HD22 LEU 4 2HD1 LEU 4 9.585 -3.694 -6.083
35 HD23 LEU 4 3HD1 LEU 4 8.918 -4.576 -7.477
36 H TRP 5 H TRP 5 3.596 -2.693 -7.762
37 HA TRP 5 HA TRP 5 1.943 -2.115 -9.115
38 HB2 TRP 5 3HB TRP 5 3.342 -3.795 -11.204
39 HB3 TRP 5 2HB TRP 5 2.241 -4.409 -9.988
40 HD1 TRP 5 HD1 TRP 5 2.170 -3.321 -13.485
41 HE1 TRP 5 HE1 TRP 5 -0.246 -2.785 -14.400
42 HE3 TRP 5 HE3 TRP 5 -0.077 -3.111 -8.929
43 HZ2 TRP 5 HZ2 TRP 5 -2.770 -2.343 -13.143
44 HZ3 TRP 5 HZ3 TRP 5 -2.521 -2.621 -8.862
45 HH2 TRP 5 HH2 TRP 5 -3.860 -2.244 -10.871
46 H THR 6 H THR 6 4.663 -0.691 -8.918
47 HA THR 6 HA THR 6 4.113 1.203 -11.051
48 HB THR 6 HB THR 6 6.605 1.164 -11.658
49 HG1 THR 6 HG1 THR 6 6.349 -1.422 -10.308
50 HG21 THR 6 1HG2 THR 6 5.246 -1.552 -12.033
51 HG22 THR 6 2HG2 THR 6 6.497 -0.825 -13.069
52 HG23 THR 6 3HG2 THR 6 4.860 -0.127 -13.027
53 H ALA 7 H ALA 7 3.805 1.013 -8.076
54 HA ALA 7 HA ALA 7 4.636 3.598 -7.478
55 HB1 ALA 7 1HB ALA 7 6.479 1.374 -6.550
56 HB2 ALA 7 2HB ALA 7 6.363 2.929 -5.691
57 HB3 ALA 7 3HB ALA 7 6.902 2.887 -7.387
58 H CYS 8 H CYS 8 2.615 3.765 -6.687
59 HA CYS 8 HA CYS 8 1.665 1.905 -4.653
60 HB2 CYS 8 2HB CYS 8 2.950 4.202 -3.856
61 HB3 CYS 8 3HB CYS 8 1.261 4.699 -3.857
62 H GLY 9 H GLY 9 1.037 4.814 -6.574
63 HA2 GLY 9 2HA GLY 9 -1.240 3.993 -7.830
64 HA3 GLY 9 3HA GLY 9 -1.818 4.605 -6.287
Start of MODEL 7
1 H1 CYS 1 H CYS 1 0.767 1.467 -0.383
2 HA CYS 1 HA CYS 1 1.288 0.614 -2.892
3 HB2 CYS 1 2HB CYS 1 3.065 2.198 -3.018
4 HB3 CYS 1 3HB CYS 1 1.890 2.852 -1.882
5 H ARG 2 H ARG 2 2.886 -0.602 -4.037
6 HA ARG 2 HA ARG 2 4.379 -2.337 -2.244
7 HB2 ARG 2 3HB ARG 2 6.218 -2.343 -4.029
8 HB3 ARG 2 2HB ARG 2 5.365 -1.039 -4.831
9 HG2 ARG 2 3HG ARG 2 6.652 0.323 -3.517
10 HG3 ARG 2 2HG ARG 2 5.473 -0.041 -2.272
11 HD2 ARG 2 3HD ARG 2 7.115 -2.223 -2.006
12 HD3 ARG 2 2HD ARG 2 8.278 -1.045 -2.582
13 HE ARG 2 HE ARG 2 8.002 0.207 -0.591
14 HH11 ARG 2 1HH1 ARG 2 6.133 -0.610 2.241
15 HH12 ARG 2 2HH1 ARG 2 7.358 0.428 1.591
16 HH21 ARG 2 1HH2 ARG 2 5.145 -2.224 0.896
17 HH22 ARG 2 2HH2 ARG 2 5.634 -2.390 -0.758
18 HA PRO 3 HA PRO 3 2.824 -5.515 -4.793
19 HB2 PRO 3 3HB PRO 3 3.525 -7.161 -3.345
20 HB3 PRO 3 2HB PRO 3 4.726 -7.465 -4.584
21 HG2 PRO 3 3HG PRO 3 5.295 -6.564 -1.992
22 HG3 PRO 3 2HG PRO 3 6.399 -6.469 -3.349
23 HD2 PRO 3 3HD PRO 3 5.051 -4.278 -1.987
24 HD3 PRO 3 2HD PRO 3 6.243 -4.177 -3.267
25 H LEU 4 H LEU 4 3.364 -3.690 -6.499
26 HA LEU 4 HA LEU 4 4.727 -5.201 -8.590
27 HB2 LEU 4 3HB LEU 4 5.373 -2.425 -8.860
28 HB3 LEU 4 2HB LEU 4 5.850 -2.961 -7.261
29 HG LEU 4 HG LEU 4 6.727 -4.143 -9.909
30 HD11 LEU 4 1HD2 LEU 4 9.001 -3.458 -8.634
31 HD12 LEU 4 2HD2 LEU 4 7.903 -2.214 -7.990
32 HD13 LEU 4 3HD2 LEU 4 8.127 -2.379 -9.748
33 HD21 LEU 4 1HD1 LEU 4 8.309 -5.459 -8.312
34 HD22 LEU 4 2HD1 LEU 4 6.648 -6.037 -8.587
35 HD23 LEU 4 3HD1 LEU 4 7.046 -5.149 -7.097
36 H TRP 5 H TRP 5 3.618 -1.782 -8.554
37 HA TRP 5 HA TRP 5 1.027 -2.180 -9.408
38 HB2 TRP 5 3HB TRP 5 2.309 -1.437 -11.910
39 HB3 TRP 5 2HB TRP 5 2.773 -3.047 -11.397
40 HD1 TRP 5 HD1 TRP 5 -0.603 -1.098 -11.802
41 HE1 TRP 5 HE1 TRP 5 -2.486 -2.705 -12.716
42 HE3 TRP 5 HE3 TRP 5 2.275 -5.289 -11.872
43 HZ2 TRP 5 HZ2 TRP 5 -2.559 -5.486 -13.351
44 HZ3 TRP 5 HZ3 TRP 5 1.221 -7.409 -12.653
45 HH2 TRP 5 HH2 TRP 5 -1.109 -7.550 -13.376
46 H THR 6 H THR 6 4.126 -0.393 -9.716
47 HA THR 6 HA THR 6 3.179 2.103 -10.389
48 HB THR 6 HB THR 6 5.298 2.840 -9.137
49 HG1 THR 6 HG1 THR 6 4.869 0.907 -7.613
50 HG21 THR 6 1HG2 THR 6 6.572 2.111 -10.899
51 HG22 THR 6 2HG2 THR 6 5.102 1.295 -11.483
52 HG23 THR 6 3HG2 THR 6 6.279 0.405 -10.487
53 H ALA 7 H ALA 7 2.968 0.376 -7.289
54 HA ALA 7 HA ALA 7 1.848 0.840 -5.439
55 HB1 ALA 7 1HB ALA 7 0.281 1.870 -7.510
56 HB2 ALA 7 2HB ALA 7 0.365 3.202 -6.333
57 HB3 ALA 7 3HB ALA 7 -0.237 1.605 -5.828
58 H CYS 8 H CYS 8 4.353 1.763 -5.575
59 HA CYS 8 HA CYS 8 4.231 4.392 -4.249
60 HB2 CYS 8 2HB CYS 8 5.248 1.891 -3.318
61 HB3 CYS 8 3HB CYS 8 6.600 3.003 -3.501
62 H GLY 9 H GLY 9 6.827 2.331 -5.567
63 HA2 GLY 9 2HA GLY 9 7.711 4.667 -7.149
64 HA3 GLY 9 3HA GLY 9 8.837 3.587 -6.340
Start of MODEL 8
1 H1 CYS 1 H CYS 1 1.396 -0.690 -2.523
2 HA CYS 1 HA CYS 1 3.351 1.192 -2.973
3 HB2 CYS 1 2HB CYS 1 2.661 1.018 -0.031
4 HB3 CYS 1 3HB CYS 1 4.073 1.830 -0.700
5 H ARG 2 H ARG 2 3.752 -1.118 -3.883
6 HA ARG 2 HA ARG 2 4.884 -2.810 -1.836
7 HB2 ARG 2 3HB ARG 2 6.730 -2.967 -3.987
8 HB3 ARG 2 2HB ARG 2 6.425 -1.252 -3.797
9 HG2 ARG 2 3HG ARG 2 6.798 -1.659 -1.241
10 HG3 ARG 2 2HG ARG 2 7.475 -3.205 -1.713
11 HD2 ARG 2 3HD ARG 2 9.433 -2.235 -2.345
12 HD3 ARG 2 2HD ARG 2 8.601 -1.104 -3.393
13 HE ARG 2 HE ARG 2 9.450 -0.624 -0.614
14 HH11 ARG 2 1HH1 ARG 2 8.338 2.683 -0.702
15 HH12 ARG 2 2HH1 ARG 2 9.263 1.512 0.177
16 HH21 ARG 2 1HH2 ARG 2 7.287 2.082 -2.682
17 HH22 ARG 2 2HH2 ARG 2 7.429 0.463 -3.281
18 HA PRO 3 HA PRO 3 3.406 -5.944 -4.484
19 HB2 PRO 3 3HB PRO 3 3.853 -7.612 -2.961
20 HB3 PRO 3 2HB PRO 3 5.132 -8.025 -4.086
21 HG2 PRO 3 3HG PRO 3 5.539 -7.122 -1.465
22 HG3 PRO 3 2HG PRO 3 6.761 -7.132 -2.721
23 HD2 PRO 3 3HD PRO 3 5.468 -4.824 -1.508
24 HD3 PRO 3 2HD PRO 3 6.771 -4.834 -2.680
25 H LEU 4 H LEU 4 4.215 -4.203 -6.163
26 HA LEU 4 HA LEU 4 5.896 -5.773 -7.991
27 HB2 LEU 4 3HB LEU 4 5.910 -2.807 -8.154
28 HB3 LEU 4 2HB LEU 4 6.750 -3.532 -6.797
29 HG LEU 4 HG LEU 4 7.279 -4.165 -9.714
30 HD11 LEU 4 1HD2 LEU 4 7.891 -1.839 -8.961
31 HD12 LEU 4 2HD2 LEU 4 9.237 -2.828 -9.577
32 HD13 LEU 4 3HD2 LEU 4 9.037 -2.589 -7.824
33 HD21 LEU 4 1HD1 LEU 4 9.452 -5.091 -8.525
34 HD22 LEU 4 2HD1 LEU 4 7.985 -6.085 -8.698
35 HD23 LEU 4 3HD1 LEU 4 8.336 -5.277 -7.151
36 H TRP 5 H TRP 5 3.988 -2.705 -8.261
37 HA TRP 5 HA TRP 5 1.811 -3.873 -9.570
38 HB2 TRP 5 3HB TRP 5 3.942 -2.763 -11.401
39 HB3 TRP 5 2HB TRP 5 3.354 -4.413 -11.345
40 HD1 TRP 5 HD1 TRP 5 0.538 -4.598 -11.999
41 HE1 TRP 5 HE1 TRP 5 -0.828 -3.403 -13.915
42 HE3 TRP 5 HE3 TRP 5 3.847 -0.803 -12.712
43 HZ2 TRP 5 HZ2 TRP 5 -0.382 -1.057 -15.478
44 HZ3 TRP 5 HZ3 TRP 5 3.305 0.898 -14.452
45 HH2 TRP 5 HH2 TRP 5 1.275 0.814 -15.811
46 H THR 6 H THR 6 4.078 -1.093 -9.227
47 HA THR 6 HA THR 6 2.364 0.973 -9.842
48 HB THR 6 HB THR 6 4.759 1.297 -9.476
49 HG1 THR 6 HG1 THR 6 4.454 2.957 -7.638
50 HG21 THR 6 1HG2 THR 6 4.241 0.725 -6.516
51 HG22 THR 6 2HG2 THR 6 5.807 1.065 -7.292
52 HG23 THR 6 3HG2 THR 6 4.968 -0.471 -7.616
53 H ALA 7 H ALA 7 2.748 -0.764 -6.701
54 HA ALA 7 HA ALA 7 1.512 -0.729 -4.860
55 HB1 ALA 7 1HB ALA 7 -0.731 -0.300 -6.875
56 HB2 ALA 7 2HB ALA 7 -0.926 -0.905 -5.213
57 HB3 ALA 7 3HB ALA 7 -0.032 -1.870 -6.413
58 H CYS 8 H CYS 8 2.787 1.520 -5.000
59 HA CYS 8 HA CYS 8 1.116 3.395 -3.653
60 HB2 CYS 8 2HB CYS 8 3.881 2.906 -3.870
61 HB3 CYS 8 3HB CYS 8 3.631 4.540 -4.477
62 H GLY 9 H GLY 9 2.072 2.947 -6.931
63 HA2 GLY 9 2HA GLY 9 1.979 5.513 -7.973
64 HA3 GLY 9 3HA GLY 9 1.493 4.069 -8.849
Start of MODEL 9
1 H1 CYS 1 H CYS 1 1.130 -2.399 1.448
2 HA CYS 1 HA CYS 1 0.718 -2.063 -0.993
3 HB2 CYS 1 2HB CYS 1 0.993 0.482 -0.528
4 HB3 CYS 1 3HB CYS 1 2.710 0.173 -0.766
5 H ARG 2 H ARG 2 2.401 -2.621 -2.705
6 HA ARG 2 HA ARG 2 4.297 -4.310 -1.469
7 HB2 ARG 2 3HB ARG 2 5.625 -2.242 -1.386
8 HB3 ARG 2 2HB ARG 2 6.312 -3.308 -2.595
9 HG2 ARG 2 3HG ARG 2 6.184 -1.516 -4.000
10 HG3 ARG 2 2HG ARG 2 4.475 -1.891 -4.110
11 HD2 ARG 2 3HD ARG 2 4.538 0.422 -3.519
12 HD3 ARG 2 2HD ARG 2 4.150 -0.397 -2.020
13 HE ARG 2 HE ARG 2 6.825 0.730 -2.738
14 HH11 ARG 2 1HH1 ARG 2 7.677 0.855 0.644
15 HH12 ARG 2 2HH1 ARG 2 8.165 1.266 -0.967
16 HH21 ARG 2 1HH2 ARG 2 5.661 -0.240 1.001
17 HH22 ARG 2 2HH2 ARG 2 4.646 -0.646 -0.342
18 HA PRO 3 HA PRO 3 3.738 -6.272 -5.322
19 HB2 PRO 3 3HB PRO 3 4.585 -8.267 -4.544
20 HB3 PRO 3 2HB PRO 3 5.963 -7.845 -5.541
21 HG2 PRO 3 3HG PRO 3 6.018 -8.070 -2.748
22 HG3 PRO 3 2HG PRO 3 7.233 -7.254 -3.711
23 HD2 PRO 3 3HD PRO 3 5.310 -6.062 -1.880
24 HD3 PRO 3 2HD PRO 3 6.601 -5.262 -2.754
25 H LEU 4 H LEU 4 3.933 -3.972 -6.199
26 HA LEU 4 HA LEU 4 6.013 -4.161 -8.242
27 HB2 LEU 4 3HB LEU 4 5.836 -1.450 -7.670
28 HB3 LEU 4 2HB LEU 4 5.857 -2.206 -6.089
29 HG LEU 4 HG LEU 4 8.098 -1.550 -6.883
30 HD11 LEU 4 1HD2 LEU 4 9.041 -3.233 -5.749
31 HD12 LEU 4 2HD2 LEU 4 8.415 -4.471 -6.865
32 HD13 LEU 4 3HD2 LEU 4 7.378 -3.839 -5.564
33 HD21 LEU 4 1HD1 LEU 4 8.681 -1.851 -9.001
34 HD22 LEU 4 2HD1 LEU 4 7.231 -2.838 -9.301
35 HD23 LEU 4 3HD1 LEU 4 8.725 -3.607 -8.714
36 H TRP 5 H TRP 5 3.376 -1.896 -7.169
37 HA TRP 5 HA TRP 5 1.601 -1.113 -8.234
38 HB2 TRP 5 3HB TRP 5 1.822 -3.580 -9.969
39 HB3 TRP 5 2HB TRP 5 1.022 -3.509 -8.411
40 HD1 TRP 5 HD1 TRP 5 -1.049 -1.397 -8.427
41 HE1 TRP 5 HE1 TRP 5 -2.956 -1.002 -10.209
42 HE3 TRP 5 HE3 TRP 5 1.242 -3.906 -12.210
43 HZ2 TRP 5 HZ2 TRP 5 -3.285 -1.766 -12.938
44 HZ3 TRP 5 HZ3 TRP 5 0.060 -4.035 -14.402
45 HH2 TRP 5 HH2 TRP 5 -2.126 -3.016 -14.798
46 H THR 6 H THR 6 4.316 -0.289 -8.941
47 HA THR 6 HA THR 6 4.171 0.103 -11.833
48 HB THR 6 HB THR 6 6.524 1.084 -11.319
49 HG1 THR 6 HG1 THR 6 7.157 0.790 -9.148
50 HG21 THR 6 1HG2 THR 6 7.501 -1.202 -10.687
51 HG22 THR 6 2HG2 THR 6 6.458 -1.219 -12.129
52 HG23 THR 6 3HG2 THR 6 5.828 -1.801 -10.569
53 H ALA 7 H ALA 7 4.347 2.000 -8.761
54 HA ALA 7 HA ALA 7 2.643 3.983 -9.833
55 HB1 ALA 7 1HB ALA 7 5.623 4.415 -9.909
56 HB2 ALA 7 2HB ALA 7 4.551 5.788 -9.545
57 HB3 ALA 7 3HB ALA 7 4.376 4.906 -11.081
58 H CYS 8 H CYS 8 2.796 2.243 -7.620
59 HA CYS 8 HA CYS 8 2.025 3.856 -5.521
60 HB2 CYS 8 2HB CYS 8 1.554 1.437 -5.660
61 HB3 CYS 8 3HB CYS 8 3.249 1.096 -5.324
62 H GLY 9 H GLY 9 5.014 1.922 -5.370
63 HA2 GLY 9 2HA GLY 9 6.255 4.177 -3.918
64 HA3 GLY 9 3HA GLY 9 6.581 2.489 -3.554
Start of MODEL 10
1 H1 CYS 1 H CYS 1 0.019 0.127 0.768
2 HA CYS 1 HA CYS 1 0.383 -0.847 -1.372
3 HB2 CYS 1 2HB CYS 1 1.485 1.570 -0.776
4 HB3 CYS 1 3HB CYS 1 2.896 0.698 -1.365
5 H ARG 2 H ARG 2 2.390 -1.504 -2.964
6 HA ARG 2 HA ARG 2 3.607 -3.669 -1.505
7 HB2 ARG 2 3HB ARG 2 5.631 -2.766 -3.307
8 HB3 ARG 2 2HB ARG 2 5.062 -1.326 -2.485
9 HG2 ARG 2 3HG ARG 2 5.528 -3.732 -0.755
10 HG3 ARG 2 2HG ARG 2 6.958 -2.994 -1.447
11 HD2 ARG 2 3HD ARG 2 4.833 -1.386 0.043
12 HD3 ARG 2 2HD ARG 2 6.225 -2.085 0.844
13 HE ARG 2 HE ARG 2 6.231 0.208 -1.003
14 HH11 ARG 2 1HH1 ARG 2 9.662 0.702 -0.601
15 HH12 ARG 2 2HH1 ARG 2 8.187 1.369 -1.217
16 HH21 ARG 2 1HH2 ARG 2 9.651 -1.371 0.442
17 HH22 ARG 2 2HH2 ARG 2 8.168 -2.251 0.604
18 HA PRO 3 HA PRO 3 2.881 -5.734 -5.278
19 HB2 PRO 3 3HB PRO 3 3.403 -7.792 -4.388
20 HB3 PRO 3 2HB PRO 3 4.842 -7.635 -5.376
21 HG2 PRO 3 3HG PRO 3 4.828 -7.724 -2.575
22 HG3 PRO 3 2HG PRO 3 6.166 -7.152 -3.552
23 HD2 PRO 3 3HD PRO 3 4.425 -5.591 -1.819
24 HD3 PRO 3 2HD PRO 3 5.833 -5.041 -2.705
25 H LEU 4 H LEU 4 3.548 -3.458 -6.145
26 HA LEU 4 HA LEU 4 5.738 -4.015 -8.024
27 HB2 LEU 4 3HB LEU 4 5.242 -1.210 -7.694
28 HB3 LEU 4 2HB LEU 4 5.469 -1.940 -6.117
29 HG LEU 4 HG LEU 4 7.538 -1.011 -7.198
30 HD11 LEU 4 1HD2 LEU 4 8.710 -2.378 -5.889
31 HD12 LEU 4 2HD2 LEU 4 8.315 -3.801 -6.883
32 HD13 LEU 4 3HD2 LEU 4 7.190 -3.262 -5.613
33 HD21 LEU 4 1HD1 LEU 4 8.299 -1.665 -9.193
34 HD22 LEU 4 2HD1 LEU 4 6.673 -2.344 -9.446
35 HD23 LEU 4 3HD1 LEU 4 7.990 -3.385 -8.853
36 H TRP 5 H TRP 5 2.491 -2.603 -7.449
37 HA TRP 5 HA TRP 5 0.849 -2.058 -8.832
38 HB2 TRP 5 3HB TRP 5 2.085 -4.122 -10.663
39 HB3 TRP 5 2HB TRP 5 1.034 -4.482 -9.307
40 HD1 TRP 5 HD1 TRP 5 -1.583 -3.345 -9.569
41 HE1 TRP 5 HE1 TRP 5 -3.149 -3.114 -11.680
42 HE3 TRP 5 HE3 TRP 5 2.118 -3.831 -13.021
43 HZ2 TRP 5 HZ2 TRP 5 -2.675 -3.160 -14.494
44 HZ3 TRP 5 HZ3 TRP 5 1.481 -3.726 -15.429
45 HH2 TRP 5 HH2 TRP 5 -0.820 -3.404 -16.185
46 H THR 6 H THR 6 3.374 -0.521 -8.879
47 HA THR 6 HA THR 6 3.335 0.394 -11.679
48 HB THR 6 HB THR 6 5.504 0.322 -9.529
49 HG1 THR 6 HG1 THR 6 5.488 -1.529 -10.840
50 HG21 THR 6 1HG2 THR 6 6.737 1.224 -11.819
51 HG22 THR 6 2HG2 THR 6 6.247 2.297 -10.486
52 HG23 THR 6 3HG2 THR 6 5.196 2.110 -11.910
53 H ALA 7 H ALA 7 4.473 1.979 -8.653
54 HA ALA 7 HA ALA 7 2.268 3.648 -8.341
55 HB1 ALA 7 1HB ALA 7 3.947 4.345 -10.574
56 HB2 ALA 7 2HB ALA 7 4.125 5.587 -9.311
57 HB3 ALA 7 3HB ALA 7 2.511 5.194 -9.951
58 H CYS 8 H CYS 8 2.690 3.220 -6.232
59 HA CYS 8 HA CYS 8 4.259 4.938 -4.752
60 HB2 CYS 8 2HB CYS 8 4.003 3.234 -2.894
61 HB3 CYS 8 3HB CYS 8 2.505 3.768 -3.650
62 H GLY 9 H GLY 9 5.027 1.641 -5.823
63 HA2 GLY 9 2HA GLY 9 7.451 1.286 -4.526
64 HA3 GLY 9 3HA GLY 9 7.046 0.578 -6.082
Start of MODEL 11
1 H1 CYS 1 H CYS 1 0.351 0.975 -0.233
2 HA CYS 1 HA CYS 1 1.414 0.348 -2.284
3 HB2 CYS 1 2HB CYS 1 2.069 2.597 -1.336
4 HB3 CYS 1 3HB CYS 1 3.523 1.828 -0.707
5 H ARG 2 H ARG 2 3.215 -0.721 -3.419
6 HA ARG 2 HA ARG 2 4.310 -2.768 -1.707
7 HB2 ARG 2 3HB ARG 2 6.512 -2.380 -3.236
8 HB3 ARG 2 2HB ARG 2 5.899 -0.740 -3.280
9 HG2 ARG 2 3HG ARG 2 7.067 -0.515 -1.317
10 HG3 ARG 2 2HG ARG 2 5.638 -1.238 -0.605
11 HD2 ARG 2 3HD ARG 2 7.755 -3.095 -1.691
12 HD3 ARG 2 2HD ARG 2 8.097 -2.259 -0.190
13 HE ARG 2 HE ARG 2 5.521 -3.270 0.168
14 HH11 ARG 2 1HH1 ARG 2 6.250 -6.549 1.114
15 HH12 ARG 2 2HH1 ARG 2 5.062 -5.289 1.135
16 HH21 ARG 2 1HH2 ARG 2 8.308 -6.187 0.105
17 HH22 ARG 2 2HH2 ARG 2 8.656 -4.657 -0.628
18 HA PRO 3 HA PRO 3 3.604 -5.207 -5.254
19 HB2 PRO 3 3HB PRO 3 4.057 -7.171 -4.140
20 HB3 PRO 3 2HB PRO 3 5.515 -7.155 -5.111
21 HG2 PRO 3 3HG PRO 3 5.452 -6.945 -2.318
22 HG3 PRO 3 2HG PRO 3 6.820 -6.512 -3.323
23 HD2 PRO 3 3HD PRO 3 5.092 -4.734 -1.800
24 HD3 PRO 3 2HD PRO 3 6.529 -4.316 -2.711
25 H LEU 4 H LEU 4 4.421 -3.003 -6.274
26 HA LEU 4 HA LEU 4 6.599 -3.828 -8.065
27 HB2 LEU 4 3HB LEU 4 6.268 -1.018 -8.111
28 HB3 LEU 4 2HB LEU 4 6.261 -1.499 -6.425
29 HG LEU 4 HG LEU 4 8.434 -2.029 -8.466
30 HD11 LEU 4 1HD2 LEU 4 9.261 -0.090 -7.783
31 HD12 LEU 4 2HD2 LEU 4 9.419 -0.760 -6.141
32 HD13 LEU 4 3HD2 LEU 4 7.936 0.105 -6.611
33 HD21 LEU 4 1HD1 LEU 4 9.681 -2.975 -6.455
34 HD22 LEU 4 2HD1 LEU 4 8.409 -3.993 -7.172
35 HD23 LEU 4 3HD1 LEU 4 8.091 -3.102 -5.665
36 H TRP 5 H TRP 5 3.327 -2.482 -7.690
37 HA TRP 5 HA TRP 5 1.669 -2.226 -9.134
38 HB2 TRP 5 3HB TRP 5 3.321 -3.921 -11.016
39 HB3 TRP 5 2HB TRP 5 2.251 -4.541 -9.774
40 HD1 TRP 5 HD1 TRP 5 2.186 -3.800 -13.361
41 HE1 TRP 5 HE1 TRP 5 -0.240 -3.628 -14.384
42 HE3 TRP 5 HE3 TRP 5 -0.233 -3.419 -8.905
43 HZ2 TRP 5 HZ2 TRP 5 -2.841 -3.358 -13.240
44 HZ3 TRP 5 HZ3 TRP 5 -2.717 -3.204 -8.947
45 HH2 TRP 5 HH2 TRP 5 -4.016 -3.171 -11.016
46 H THR 6 H THR 6 4.222 -0.500 -9.013
47 HA THR 6 HA THR 6 4.303 0.594 -11.707
48 HB THR 6 HB THR 6 6.122 2.011 -10.626
49 HG1 THR 6 HG1 THR 6 4.933 1.693 -8.472
50 HG21 THR 6 1HG2 THR 6 6.253 -1.014 -10.166
51 HG22 THR 6 2HG2 THR 6 7.648 0.076 -9.982
52 HG23 THR 6 3HG2 THR 6 6.880 -0.126 -11.575
53 H ALA 7 H ALA 7 2.022 0.739 -9.438
54 HA ALA 7 HA ALA 7 0.412 2.179 -8.963
55 HB1 ALA 7 1HB ALA 7 0.641 2.539 -11.510
56 HB2 ALA 7 2HB ALA 7 1.492 4.045 -11.093
57 HB3 ALA 7 3HB ALA 7 -0.194 3.804 -10.577
58 H CYS 8 H CYS 8 1.083 2.685 -6.944
59 HA CYS 8 HA CYS 8 1.619 5.313 -6.268
60 HB2 CYS 8 2HB CYS 8 2.304 4.373 -4.024
61 HB3 CYS 8 3HB CYS 8 0.725 3.854 -4.606
62 H GLY 9 H GLY 9 3.888 2.609 -6.623
63 HA2 GLY 9 2HA GLY 9 6.151 4.357 -6.069
64 HA3 GLY 9 3HA GLY 9 6.218 2.627 -6.367
Start of MODEL 12
1 H1 CYS 1 H CYS 1 2.819 0.379 1.360
2 HA CYS 1 HA CYS 1 1.728 -0.389 -1.219
3 HB2 CYS 1 2HB CYS 1 4.321 1.046 -0.620
4 HB3 CYS 1 3HB CYS 1 3.499 0.952 -2.174
5 H ARG 2 H ARG 2 3.500 -1.224 -2.921
6 HA ARG 2 HA ARG 2 4.644 -3.535 -1.601
7 HB2 ARG 2 3HB ARG 2 6.575 -2.113 -1.876
8 HB3 ARG 2 2HB ARG 2 6.669 -3.300 -3.163
9 HG2 ARG 2 3HG ARG 2 7.010 -1.396 -4.433
10 HG3 ARG 2 2HG ARG 2 5.260 -1.443 -4.508
11 HD2 ARG 2 3HD ARG 2 5.386 0.707 -3.719
12 HD3 ARG 2 2HD ARG 2 5.607 -0.055 -2.157
13 HE ARG 2 HE ARG 2 7.753 1.111 -3.859
14 HH11 ARG 2 1HH1 ARG 2 9.972 1.053 -1.166
15 HH12 ARG 2 2HH1 ARG 2 9.718 1.587 -2.794
16 HH21 ARG 2 1HH2 ARG 2 8.316 -0.145 -0.066
17 HH22 ARG 2 2HH2 ARG 2 6.827 -0.506 -0.874
18 HA PRO 3 HA PRO 3 3.002 -5.568 -5.092
19 HB2 PRO 3 3HB PRO 3 3.222 -7.638 -4.109
20 HB3 PRO 3 2HB PRO 3 4.541 -7.821 -5.248
21 HG2 PRO 3 3HG PRO 3 4.832 -7.755 -2.461
22 HG3 PRO 3 2HG PRO 3 6.133 -7.511 -3.610
23 HD2 PRO 3 3HD PRO 3 4.931 -5.547 -1.829
24 HD3 PRO 3 2HD PRO 3 6.307 -5.334 -2.893
25 H LEU 4 H LEU 4 3.884 -3.561 -6.261
26 HA LEU 4 HA LEU 4 5.659 -4.647 -8.330
27 HB2 LEU 4 3HB LEU 4 6.222 -1.991 -8.367
28 HB3 LEU 4 2HB LEU 4 5.952 -2.237 -6.653
29 HG LEU 4 HG LEU 4 7.974 -3.670 -8.395
30 HD11 LEU 4 1HD2 LEU 4 8.493 -1.316 -7.750
31 HD12 LEU 4 2HD2 LEU 4 9.648 -2.517 -7.124
32 HD13 LEU 4 3HD2 LEU 4 8.420 -1.815 -6.043
33 HD21 LEU 4 1HD1 LEU 4 6.907 -4.315 -5.698
34 HD22 LEU 4 2HD1 LEU 4 8.670 -4.423 -5.916
35 HD23 LEU 4 3HD1 LEU 4 7.585 -5.375 -6.957
36 H TRP 5 H TRP 5 3.091 -2.298 -7.394
37 HA TRP 5 HA TRP 5 1.301 -1.616 -8.521
38 HB2 TRP 5 3HB TRP 5 1.948 -4.045 -9.847
39 HB3 TRP 5 2HB TRP 5 0.394 -3.253 -9.681
40 HD1 TRP 5 HD1 TRP 5 3.336 -3.508 -12.178
41 HE1 TRP 5 HE1 TRP 5 2.597 -2.750 -14.595
42 HE3 TRP 5 HE3 TRP 5 -1.271 -1.839 -10.818
43 HZ2 TRP 5 HZ2 TRP 5 0.222 -1.565 -15.644
44 HZ3 TRP 5 HZ3 TRP 5 -2.737 -0.896 -12.600
45 HH2 TRP 5 HH2 TRP 5 -2.057 -0.744 -14.942
46 H THR 6 H THR 6 4.469 -1.030 -9.086
47 HA THR 6 HA THR 6 4.157 0.550 -11.506
48 HB THR 6 HB THR 6 6.183 -0.929 -10.957
49 HG1 THR 6 HG1 THR 6 7.220 0.615 -12.183
50 HG21 THR 6 1HG2 THR 6 6.230 0.038 -8.478
51 HG22 THR 6 2HG2 THR 6 7.080 1.405 -9.236
52 HG23 THR 6 3HG2 THR 6 7.765 -0.235 -9.337
53 H ALA 7 H ALA 7 4.376 0.954 -7.971
54 HA ALA 7 HA ALA 7 3.135 3.442 -8.054
55 HB1 ALA 7 1HB ALA 7 5.396 4.593 -7.120
56 HB2 ALA 7 2HB ALA 7 4.918 4.652 -8.834
57 HB3 ALA 7 3HB ALA 7 6.112 3.452 -8.283
58 H CYS 8 H CYS 8 1.984 2.611 -6.404
59 HA CYS 8 HA CYS 8 3.417 1.889 -3.935
60 HB2 CYS 8 2HB CYS 8 1.819 4.178 -4.335
61 HB3 CYS 8 3HB CYS 8 0.858 3.076 -3.354
62 H GLY 9 H GLY 9 0.426 1.642 -5.809
63 HA2 GLY 9 2HA GLY 9 -0.077 -0.942 -4.467
64 HA3 GLY 9 3HA GLY 9 -1.378 0.177 -4.846
Start of MODEL 13
1 H1 CYS 1 H CYS 1 1.015 -0.271 -1.509
2 HA CYS 1 HA CYS 1 2.881 1.045 -3.117
3 HB2 CYS 1 2HB CYS 1 3.263 1.652 -0.179
4 HB3 CYS 1 3HB CYS 1 4.306 2.157 -1.505
5 H ARG 2 H ARG 2 3.658 -0.976 -3.769
6 HA ARG 2 HA ARG 2 4.477 -2.729 -1.617
7 HB2 ARG 2 3HB ARG 2 6.490 -1.410 -2.330
8 HB3 ARG 2 2HB ARG 2 6.678 -3.122 -2.653
9 HG2 ARG 2 3HG ARG 2 6.231 -2.837 -5.008
10 HG3 ARG 2 2HG ARG 2 5.614 -1.213 -4.773
11 HD2 ARG 2 3HD ARG 2 8.503 -2.014 -4.179
12 HD3 ARG 2 2HD ARG 2 7.986 -1.333 -5.709
13 HE ARG 2 HE ARG 2 7.016 0.425 -3.733
14 HH11 ARG 2 1HH1 ARG 2 9.839 2.443 -3.361
15 HH12 ARG 2 2HH1 ARG 2 8.130 2.321 -3.109
16 HH21 ARG 2 1HH2 ARG 2 10.998 0.682 -4.332
17 HH22 ARG 2 2HH2 ARG 2 10.154 -0.754 -4.805
18 HA PRO 3 HA PRO 3 2.989 -5.781 -4.353
19 HB2 PRO 3 3HB PRO 3 3.067 -7.420 -2.737
20 HB3 PRO 3 2HB PRO 3 4.433 -7.999 -3.670
21 HG2 PRO 3 3HG PRO 3 4.583 -7.032 -1.044
22 HG3 PRO 3 2HG PRO 3 5.951 -7.209 -2.125
23 HD2 PRO 3 3HD PRO 3 4.747 -4.741 -1.160
24 HD3 PRO 3 2HD PRO 3 6.184 -4.923 -2.147
25 H LEU 4 H LEU 4 4.188 -4.190 -5.952
26 HA LEU 4 HA LEU 4 5.767 -6.031 -7.591
27 HB2 LEU 4 3HB LEU 4 6.480 -3.163 -6.963
28 HB3 LEU 4 2HB LEU 4 7.320 -4.588 -6.385
29 HG LEU 4 HG LEU 4 7.167 -3.577 -9.233
30 HD11 LEU 4 1HD2 LEU 4 9.533 -3.241 -9.051
31 HD12 LEU 4 2HD2 LEU 4 9.573 -4.007 -7.445
32 HD13 LEU 4 3HD2 LEU 4 8.746 -2.446 -7.666
33 HD21 LEU 4 1HD1 LEU 4 8.284 -6.190 -8.191
34 HD22 LEU 4 2HD1 LEU 4 8.674 -5.501 -9.785
35 HD23 LEU 4 3HD1 LEU 4 6.997 -5.953 -9.398
36 H TRP 5 H TRP 5 5.033 -2.555 -8.103
37 HA TRP 5 HA TRP 5 2.714 -3.066 -9.661
38 HB2 TRP 5 3HB TRP 5 5.211 -2.348 -11.204
39 HB3 TRP 5 2HB TRP 5 4.498 -3.949 -11.167
40 HD1 TRP 5 HD1 TRP 5 4.338 -0.820 -13.143
41 HE1 TRP 5 HE1 TRP 5 2.319 -0.751 -14.841
42 HE3 TRP 5 HE3 TRP 5 1.832 -4.766 -11.140
43 HZ2 TRP 5 HZ2 TRP 5 -0.045 -2.318 -15.150
44 HZ3 TRP 5 HZ3 TRP 5 -0.324 -5.431 -12.200
45 HH2 TRP 5 HH2 TRP 5 -1.268 -4.278 -14.137
46 H THR 6 H THR 6 3.679 -1.458 -7.375
47 HA THR 6 HA THR 6 2.863 1.131 -8.390
48 HB THR 6 HB THR 6 5.311 1.214 -8.697
49 HG1 THR 6 HG1 THR 6 4.327 3.114 -7.788
50 HG21 THR 6 1HG2 THR 6 6.873 0.589 -7.077
51 HG22 THR 6 2HG2 THR 6 5.586 -0.570 -6.667
52 HG23 THR 6 3HG2 THR 6 5.761 0.934 -5.731
53 H ALA 7 H ALA 7 1.094 -0.179 -7.079
54 HA ALA 7 HA ALA 7 1.489 0.143 -4.224
55 HB1 ALA 7 1HB ALA 7 0.445 -1.907 -5.066
56 HB2 ALA 7 2HB ALA 7 -0.811 -0.954 -5.892
57 HB3 ALA 7 3HB ALA 7 -0.734 -0.973 -4.114
58 H CYS 8 H CYS 8 1.747 2.534 -5.246
59 HA CYS 8 HA CYS 8 -0.858 3.870 -4.907
60 HB2 CYS 8 2HB CYS 8 0.863 5.767 -4.046
61 HB3 CYS 8 3HB CYS 8 0.077 4.610 -2.976
62 H GLY 9 H GLY 9 2.406 5.023 -5.727
63 HA2 GLY 9 2HA GLY 9 3.146 6.321 -7.472
64 HA3 GLY 9 3HA GLY 9 2.092 5.325 -8.465
Start of MODEL 14
1 H1 CYS 1 H CYS 1 0.072 0.043 -1.344
2 HA CYS 1 HA CYS 1 1.910 0.735 -3.400
3 HB2 CYS 1 2HB CYS 1 1.340 2.395 -1.765
4 HB3 CYS 1 3HB CYS 1 1.851 1.350 -0.443
5 H ARG 2 H ARG 2 3.216 -0.971 -4.142
6 HA ARG 2 HA ARG 2 4.658 -2.376 -2.055
7 HB2 ARG 2 3HB ARG 2 6.636 -2.208 -3.906
8 HB3 ARG 2 2HB ARG 2 5.793 -0.725 -4.310
9 HG2 ARG 2 3HG ARG 2 7.003 0.224 -2.626
10 HG3 ARG 2 2HG ARG 2 5.873 -0.565 -1.544
11 HD2 ARG 2 3HD ARG 2 8.136 -2.274 -2.509
12 HD3 ARG 2 2HD ARG 2 8.587 -0.952 -1.451
13 HE ARG 2 HE ARG 2 7.221 -3.361 -0.663
14 HH11 ARG 2 1HH1 ARG 2 6.218 -2.182 2.465
15 HH12 ARG 2 2HH1 ARG 2 6.445 -3.585 1.475
16 HH21 ARG 2 1HH2 ARG 2 6.701 -0.075 1.620
17 HH22 ARG 2 2HH2 ARG 2 7.289 0.094 -0.001
18 HA PRO 3 HA PRO 3 4.020 -5.816 -4.659
19 HB2 PRO 3 3HB PRO 3 4.876 -7.297 -3.118
20 HB3 PRO 3 2HB PRO 3 6.215 -7.390 -4.244
21 HG2 PRO 3 3HG PRO 3 6.386 -6.380 -1.636
22 HG3 PRO 3 2HG PRO 3 7.569 -6.098 -2.898
23 HD2 PRO 3 3HD PRO 3 5.738 -4.175 -1.706
24 HD3 PRO 3 2HD PRO 3 6.999 -3.871 -2.884
25 H LEU 4 H LEU 4 4.381 -3.929 -6.352
26 HA LEU 4 HA LEU 4 6.288 -5.128 -8.227
27 HB2 LEU 4 3HB LEU 4 6.098 -2.316 -8.675
28 HB3 LEU 4 2HB LEU 4 6.490 -2.576 -6.986
29 HG LEU 4 HG LEU 4 8.452 -2.271 -8.525
30 HD11 LEU 4 1HD2 LEU 4 9.733 -4.253 -7.563
31 HD12 LEU 4 2HD2 LEU 4 8.194 -4.748 -6.817
32 HD13 LEU 4 3HD2 LEU 4 8.918 -3.175 -6.403
33 HD21 LEU 4 1HD1 LEU 4 7.164 -4.039 -10.171
34 HD22 LEU 4 2HD1 LEU 4 8.407 -5.070 -9.421
35 HD23 LEU 4 3HD1 LEU 4 8.882 -3.587 -10.284
36 H TRP 5 H TRP 5 4.182 -2.233 -8.556
37 HA TRP 5 HA TRP 5 1.971 -3.490 -9.647
38 HB2 TRP 5 3HB TRP 5 3.295 -2.384 -12.010
39 HB3 TRP 5 2HB TRP 5 4.102 -3.804 -11.375
40 HD1 TRP 5 HD1 TRP 5 2.654 -6.143 -11.417
41 HE1 TRP 5 HE1 TRP 5 0.598 -6.996 -12.834
42 HE3 TRP 5 HE3 TRP 5 1.203 -1.551 -13.048
43 HZ2 TRP 5 HZ2 TRP 5 -1.360 -5.684 -14.443
44 HZ3 TRP 5 HZ3 TRP 5 -0.791 -1.425 -14.539
45 HH2 TRP 5 HH2 TRP 5 -2.058 -3.394 -15.238
46 H THR 6 H THR 6 4.322 -0.771 -9.733
47 HA THR 6 HA THR 6 2.168 1.061 -9.122
48 HB THR 6 HB THR 6 3.843 1.259 -11.680
49 HG1 THR 6 HG1 THR 6 2.007 0.016 -12.091
50 HG21 THR 6 1HG2 THR 6 1.822 3.146 -11.823
51 HG22 THR 6 2HG2 THR 6 3.506 3.526 -11.390
52 HG23 THR 6 3HG2 THR 6 2.294 3.270 -10.111
53 H ALA 7 H ALA 7 3.769 0.458 -7.206
54 HA ALA 7 HA ALA 7 5.827 2.558 -7.262
55 HB1 ALA 7 1HB ALA 7 5.904 -0.292 -6.269
56 HB2 ALA 7 2HB ALA 7 6.927 0.947 -5.502
57 HB3 ALA 7 3HB ALA 7 7.102 0.598 -7.239
58 H CYS 8 H CYS 8 3.320 3.218 -6.621
59 HA CYS 8 HA CYS 8 2.467 2.848 -3.987
60 HB2 CYS 8 2HB CYS 8 4.790 4.315 -3.990
61 HB3 CYS 8 3HB CYS 8 3.558 5.572 -3.988
62 H GLY 9 H GLY 9 0.389 3.379 -4.047
63 HA2 GLY 9 2HA GLY 9 -1.105 5.405 -4.297
64 HA3 GLY 9 3HA GLY 9 -0.443 5.503 -5.922
Start of MODEL 15
1 H1 CYS 1 H CYS 1 4.751 3.084 -3.139
2 HA CYS 1 HA CYS 1 5.757 1.127 -3.715
3 HB2 CYS 1 2HB CYS 1 6.685 1.684 -0.958
4 HB3 CYS 1 3HB CYS 1 6.943 0.044 -1.544
5 H ARG 2 H ARG 2 5.490 -1.215 -3.750
6 HA ARG 2 HA ARG 2 2.975 -2.018 -3.122
7 HB2 ARG 2 3HB ARG 2 4.333 -3.737 -1.241
8 HB3 ARG 2 2HB ARG 2 4.697 -2.083 -0.793
9 HG2 ARG 2 3HG ARG 2 2.675 -2.115 0.265
10 HG3 ARG 2 2HG ARG 2 1.991 -1.897 -1.334
11 HD2 ARG 2 3HD ARG 2 2.649 -4.712 -0.466
12 HD3 ARG 2 2HD ARG 2 1.250 -3.943 0.256
13 HE ARG 2 HE ARG 2 1.560 -4.732 -2.566
14 HH11 ARG 2 1HH1 ARG 2 -1.701 -3.753 -3.333
15 HH12 ARG 2 2HH1 ARG 2 -0.299 -4.604 -3.890
16 HH21 ARG 2 1HH2 ARG 2 -1.692 -2.743 -1.244
17 HH22 ARG 2 2HH2 ARG 2 -0.283 -2.840 -0.241
18 HA PRO 3 HA PRO 3 5.833 -5.650 -4.247
19 HB2 PRO 3 3HB PRO 3 7.598 -6.058 -2.825
20 HB3 PRO 3 2HB PRO 3 8.547 -5.357 -4.121
21 HG2 PRO 3 3HG PRO 3 8.259 -4.242 -1.565
22 HG3 PRO 3 2HG PRO 3 8.831 -3.375 -2.977
23 HD2 PRO 3 3HD PRO 3 6.313 -3.018 -1.562
24 HD3 PRO 3 2HD PRO 3 6.937 -2.075 -2.901
25 H LEU 4 H LEU 4 4.691 -4.164 -5.987
26 HA LEU 4 HA LEU 4 6.277 -4.523 -8.276
27 HB2 LEU 4 3HB LEU 4 5.999 -1.675 -7.307
28 HB3 LEU 4 2HB LEU 4 7.487 -2.593 -7.429
29 HG LEU 4 HG LEU 4 5.746 -1.601 -9.695
30 HD11 LEU 4 1HD2 LEU 4 7.214 0.075 -8.693
31 HD12 LEU 4 2HD2 LEU 4 7.741 -0.341 -10.342
32 HD13 LEU 4 3HD2 LEU 4 8.617 -0.993 -8.936
33 HD21 LEU 4 1HD1 LEU 4 6.365 -3.541 -10.692
34 HD22 LEU 4 2HD1 LEU 4 7.792 -3.759 -9.651
35 HD23 LEU 4 3HD1 LEU 4 7.847 -2.608 -11.008
36 H TRP 5 H TRP 5 4.291 -1.627 -8.182
37 HA TRP 5 HA TRP 5 1.775 -2.811 -8.425
38 HB2 TRP 5 3HB TRP 5 2.526 -1.939 -11.147
39 HB3 TRP 5 2HB TRP 5 3.222 -3.460 -10.624
40 HD1 TRP 5 HD1 TRP 5 1.163 -5.245 -9.542
41 HE1 TRP 5 HE1 TRP 5 -1.194 -5.855 -10.559
42 HE3 TRP 5 HE3 TRP 5 0.797 -1.135 -12.513
43 HZ2 TRP 5 HZ2 TRP 5 -2.909 -4.578 -12.450
44 HZ3 TRP 5 HZ3 TRP 5 -1.251 -0.893 -13.913
45 HH2 TRP 5 HH2 TRP 5 -3.065 -2.531 -13.914
46 H THR 6 H THR 6 2.873 -0.683 -6.984
47 HA THR 6 HA THR 6 2.520 1.455 -6.490
48 HB THR 6 HB THR 6 0.446 1.484 -8.735
49 HG1 THR 6 HG1 THR 6 -0.673 0.068 -7.426
50 HG21 THR 6 1HG2 THR 6 -0.144 3.449 -7.729
51 HG22 THR 6 2HG2 THR 6 1.118 3.232 -6.493
52 HG23 THR 6 3HG2 THR 6 -0.498 2.526 -6.249
53 H ALA 7 H ALA 7 4.812 1.303 -7.615
54 HA ALA 7 HA ALA 7 4.868 3.614 -9.371
55 HB1 ALA 7 1HB ALA 7 4.897 2.067 -11.106
56 HB2 ALA 7 2HB ALA 7 5.707 0.822 -10.124
57 HB3 ALA 7 3HB ALA 7 6.635 2.207 -10.747
58 H CYS 8 H CYS 8 5.437 3.235 -6.642
59 HA CYS 8 HA CYS 8 7.870 4.505 -6.345
60 HB2 CYS 8 2HB CYS 8 6.442 4.647 -4.501
61 HB3 CYS 8 3HB CYS 8 6.167 2.908 -4.459
62 H GLY 9 H GLY 9 7.177 1.049 -5.798
63 HA2 GLY 9 2HA GLY 9 9.473 0.051 -6.984
64 HA3 GLY 9 3HA GLY 9 9.892 0.360 -5.305
Start of MODEL 16
1 H1 CYS 1 H CYS 1 0.226 0.204 -2.097
2 HA CYS 1 HA CYS 1 1.828 -0.685 -3.719
3 HB2 CYS 1 2HB CYS 1 2.970 0.037 -1.020
4 HB3 CYS 1 3HB CYS 1 3.978 -0.224 -2.440
5 H ARG 2 H ARG 2 3.810 -2.151 -3.995
6 HA ARG 2 HA ARG 2 3.085 -4.719 -3.522
7 HB2 ARG 2 3HB ARG 2 5.411 -4.655 -1.774
8 HB3 ARG 2 2HB ARG 2 4.204 -3.552 -1.145
9 HG2 ARG 2 3HG ARG 2 2.693 -5.801 -1.887
10 HG3 ARG 2 2HG ARG 2 4.169 -6.502 -1.253
11 HD2 ARG 2 3HD ARG 2 3.303 -6.178 0.827
12 HD3 ARG 2 2HD ARG 2 3.591 -4.466 0.594
13 HE ARG 2 HE ARG 2 1.077 -5.407 -0.596
14 HH11 ARG 2 1HH1 ARG 2 -0.860 -3.810 1.828
15 HH12 ARG 2 2HH1 ARG 2 -0.873 -4.614 0.294
16 HH21 ARG 2 1HH2 ARG 2 1.137 -3.539 2.980
17 HH22 ARG 2 2HH2 ARG 2 2.614 -4.140 2.305
18 HA PRO 3 HA PRO 3 7.614 -4.318 -4.925
19 HB2 PRO 3 3HB PRO 3 9.043 -3.202 -3.506
20 HB3 PRO 3 2HB PRO 3 8.916 -1.926 -4.701
21 HG2 PRO 3 3HG PRO 3 8.010 -1.736 -2.056
22 HG3 PRO 3 2HG PRO 3 7.526 -0.669 -3.359
23 HD2 PRO 3 3HD PRO 3 5.903 -2.653 -1.981
24 HD3 PRO 3 2HD PRO 3 5.391 -1.507 -3.203
25 H LEU 4 H LEU 4 7.461 -4.648 -7.044
26 HA LEU 4 HA LEU 4 7.374 -4.094 -9.191
27 HB2 LEU 4 3HB LEU 4 6.963 -1.215 -8.987
28 HB3 LEU 4 2HB LEU 4 8.333 -1.762 -8.041
29 HG LEU 4 HG LEU 4 7.917 -2.280 -10.998
30 HD11 LEU 4 1HD2 LEU 4 8.761 -0.262 -11.350
31 HD12 LEU 4 2HD2 LEU 4 10.251 -0.757 -10.512
32 HD13 LEU 4 3HD2 LEU 4 8.930 0.010 -9.599
33 HD21 LEU 4 1HD1 LEU 4 10.591 -2.722 -10.360
34 HD22 LEU 4 2HD1 LEU 4 9.360 -3.952 -10.735
35 HD23 LEU 4 3HD1 LEU 4 9.685 -3.504 -9.043
36 H TRP 5 H TRP 5 5.235 -1.734 -7.431
37 HA TRP 5 HA TRP 5 3.055 -1.371 -7.549
38 HB2 TRP 5 3HB TRP 5 2.938 -4.247 -8.473
39 HB3 TRP 5 2HB TRP 5 2.877 -3.685 -6.814
40 HD1 TRP 5 HD1 TRP 5 0.552 -4.878 -9.299
41 HE1 TRP 5 HE1 TRP 5 -1.942 -4.080 -8.970
42 HE3 TRP 5 HE3 TRP 5 1.631 -1.107 -6.063
43 HZ2 TRP 5 HZ2 TRP 5 -3.156 -2.009 -7.428
44 HZ3 TRP 5 HZ3 TRP 5 -0.267 0.255 -5.192
45 HH2 TRP 5 HH2 TRP 5 -2.593 -0.145 -5.825
46 H THR 6 H THR 6 4.346 -0.112 -9.493
47 HA THR 6 HA THR 6 2.857 -0.757 -11.955
48 HB THR 6 HB THR 6 4.847 0.321 -13.104
49 HG1 THR 6 HG1 THR 6 6.722 0.427 -11.461
50 HG21 THR 6 1HG2 THR 6 6.570 -1.455 -12.446
51 HG22 THR 6 2HG2 THR 6 4.989 -2.115 -12.927
52 HG23 THR 6 3HG2 THR 6 5.422 -2.009 -11.204
53 H ALA 7 H ALA 7 3.904 1.729 -9.622
54 HA ALA 7 HA ALA 7 1.651 3.309 -10.220
55 HB1 ALA 7 1HB ALA 7 2.415 4.841 -11.696
56 HB2 ALA 7 2HB ALA 7 3.692 3.657 -12.065
57 HB3 ALA 7 3HB ALA 7 3.997 4.956 -10.888
58 H CYS 8 H CYS 8 2.896 2.048 -8.028
59 HA CYS 8 HA CYS 8 2.711 3.957 -6.044
60 HB2 CYS 8 2HB CYS 8 2.560 1.624 -5.491
61 HB3 CYS 8 3HB CYS 8 4.199 1.328 -6.060
62 H GLY 9 H GLY 9 5.524 2.954 -7.896
63 HA2 GLY 9 2HA GLY 9 7.026 5.163 -6.639
64 HA3 GLY 9 3HA GLY 9 7.778 3.604 -6.942
Start of MODEL 17
1 H1 CYS 1 H CYS 1 1.871 -0.279 1.005
2 HA CYS 1 HA CYS 1 1.601 0.161 -1.764
3 HB2 CYS 1 2HB CYS 1 3.436 1.988 -0.269
4 HB3 CYS 1 3HB CYS 1 3.914 1.430 -1.869
5 H ARG 2 H ARG 2 3.560 -0.719 -3.048
6 HA ARG 2 HA ARG 2 4.970 -2.599 -1.331
7 HB2 ARG 2 3HB ARG 2 6.501 -1.039 -2.468
8 HB3 ARG 2 2HB ARG 2 6.723 -2.648 -3.127
9 HG2 ARG 2 3HG ARG 2 6.210 -1.902 -5.204
10 HG3 ARG 2 2HG ARG 2 4.635 -1.367 -4.650
11 HD2 ARG 2 3HD ARG 2 5.608 0.642 -5.423
12 HD3 ARG 2 2HD ARG 2 5.904 0.724 -3.697
13 HE ARG 2 HE ARG 2 7.930 0.026 -5.779
14 HH11 ARG 2 1HH1 ARG 2 10.498 0.815 -3.552
15 HH12 ARG 2 2HH1 ARG 2 10.108 0.368 -5.180
16 HH21 ARG 2 1HH2 ARG 2 8.808 1.067 -1.982
17 HH22 ARG 2 2HH2 ARG 2 7.157 0.807 -2.437
18 HA PRO 3 HA PRO 3 3.201 -5.826 -3.671
19 HB2 PRO 3 3HB PRO 3 4.039 -7.448 -2.267
20 HB3 PRO 3 2HB PRO 3 5.117 -7.775 -3.610
21 HG2 PRO 3 3HG PRO 3 5.930 -6.829 -1.100
22 HG3 PRO 3 2HG PRO 3 6.899 -6.758 -2.559
23 HD2 PRO 3 3HD PRO 3 5.686 -4.543 -1.112
24 HD3 PRO 3 2HD PRO 3 6.750 -4.465 -2.503
25 H LEU 4 H LEU 4 3.608 -4.012 -5.443
26 HA LEU 4 HA LEU 4 4.590 -5.584 -7.670
27 HB2 LEU 4 3HB LEU 4 5.662 -3.022 -8.101
28 HB3 LEU 4 2HB LEU 4 6.112 -3.451 -6.462
29 HG LEU 4 HG LEU 4 6.563 -5.417 -8.693
30 HD11 LEU 4 1HD2 LEU 4 8.890 -4.430 -8.894
31 HD12 LEU 4 2HD2 LEU 4 8.247 -2.984 -8.078
32 HD13 LEU 4 3HD2 LEU 4 7.568 -3.500 -9.640
33 HD21 LEU 4 1HD1 LEU 4 8.693 -5.517 -6.957
34 HD22 LEU 4 2HD1 LEU 4 7.258 -6.569 -6.909
35 HD23 LEU 4 3HD1 LEU 4 7.333 -5.118 -5.881
36 H TRP 5 H TRP 5 4.133 -2.041 -7.599
37 HA TRP 5 HA TRP 5 1.527 -1.663 -7.906
38 HB2 TRP 5 3HB TRP 5 2.537 -3.131 -10.282
39 HB3 TRP 5 2HB TRP 5 0.971 -3.188 -9.497
40 HD1 TRP 5 HD1 TRP 5 -0.839 -1.266 -10.257
41 HE1 TRP 5 HE1 TRP 5 -1.103 0.259 -12.394
42 HE3 TRP 5 HE3 TRP 5 3.914 -1.905 -11.947
43 HZ2 TRP 5 HZ2 TRP 5 0.666 1.011 -14.504
44 HZ3 TRP 5 HZ3 TRP 5 4.565 -0.740 -14.053
45 HH2 TRP 5 HH2 TRP 5 3.028 0.677 -15.320
46 H THR 6 H THR 6 4.818 -1.220 -9.125
47 HA THR 6 HA THR 6 4.650 1.103 -10.544
48 HB THR 6 HB THR 6 6.718 0.093 -8.526
49 HG1 THR 6 HG1 THR 6 6.454 -1.246 -10.378
50 HG21 THR 6 1HG2 THR 6 7.138 2.510 -8.956
51 HG22 THR 6 2HG2 THR 6 6.954 2.236 -10.705
52 HG23 THR 6 3HG2 THR 6 8.327 1.515 -9.830
53 H ALA 7 H ALA 7 4.332 0.663 -7.014
54 HA ALA 7 HA ALA 7 3.159 3.285 -6.865
55 HB1 ALA 7 1HB ALA 7 5.684 3.615 -6.671
56 HB2 ALA 7 2HB ALA 7 5.597 2.689 -5.153
57 HB3 ALA 7 3HB ALA 7 4.714 4.227 -5.309
58 H CYS 8 H CYS 8 1.368 2.042 -6.329
59 HA CYS 8 HA CYS 8 1.485 0.682 -3.717
60 HB2 CYS 8 2HB CYS 8 -0.101 2.958 -4.546
61 HB3 CYS 8 3HB CYS 8 -1.134 1.624 -4.044
62 H GLY 9 H GLY 9 -0.022 0.875 -6.893
63 HA2 GLY 9 2HA GLY 9 -0.845 -0.845 -8.204
64 HA3 GLY 9 3HA GLY 9 -0.452 -1.969 -6.912
Start of MODEL 18
1 H1 CYS 1 H CYS 1 2.587 1.318 0.478
2 HA CYS 1 HA CYS 1 3.029 1.451 -2.145
3 HB2 CYS 1 2HB CYS 1 5.635 0.648 -0.838
4 HB3 CYS 1 3HB CYS 1 5.281 0.439 -2.550
5 H ARG 2 H ARG 2 4.060 -0.961 -3.060
6 HA ARG 2 HA ARG 2 2.071 -2.688 -2.413
7 HB2 ARG 2 3HB ARG 2 4.321 -4.148 -1.242
8 HB3 ARG 2 2HB ARG 2 4.039 -2.670 -0.345
9 HG2 ARG 2 3HG ARG 2 1.564 -3.303 -0.238
10 HG3 ARG 2 2HG ARG 2 1.986 -4.846 -0.953
11 HD2 ARG 2 3HD ARG 2 2.989 -3.743 1.713
12 HD3 ARG 2 2HD ARG 2 1.897 -5.094 1.487
13 HE ARG 2 HE ARG 2 3.720 -6.448 0.732
14 HH11 ARG 2 1HH1 ARG 2 7.116 -5.725 1.087
15 HH12 ARG 2 2HH1 ARG 2 5.946 -6.963 0.767
16 HH21 ARG 2 1HH2 ARG 2 6.421 -3.546 1.480
17 HH22 ARG 2 2HH2 ARG 2 4.733 -3.157 1.453
18 HA PRO 3 HA PRO 3 5.598 -4.778 -4.824
19 HB2 PRO 3 3HB PRO 3 7.645 -4.889 -3.776
20 HB3 PRO 3 2HB PRO 3 8.076 -3.628 -4.913
21 HG2 PRO 3 3HG PRO 3 7.973 -3.305 -2.132
22 HG3 PRO 3 2HG PRO 3 7.980 -1.992 -3.292
23 HD2 PRO 3 3HD PRO 3 5.791 -2.841 -1.572
24 HD3 PRO 3 2HD PRO 3 5.839 -1.459 -2.647
25 H LEU 4 H LEU 4 6.478 -4.661 -7.034
26 HA LEU 4 HA LEU 4 6.630 -3.691 -9.028
27 HB2 LEU 4 3HB LEU 4 5.851 -0.961 -8.347
28 HB3 LEU 4 2HB LEU 4 7.156 -1.560 -7.343
29 HG LEU 4 HG LEU 4 7.151 -1.493 -10.374
30 HD11 LEU 4 1HD2 LEU 4 7.381 0.674 -8.818
31 HD12 LEU 4 2HD2 LEU 4 8.293 0.465 -10.333
32 HD13 LEU 4 3HD2 LEU 4 9.071 0.115 -8.770
33 HD21 LEU 4 1HD1 LEU 4 9.612 -2.011 -10.066
34 HD22 LEU 4 2HD1 LEU 4 8.478 -3.343 -9.736
35 HD23 LEU 4 3HD1 LEU 4 9.218 -2.449 -8.387
36 H TRP 5 H TRP 5 3.972 -2.174 -7.068
37 HA TRP 5 HA TRP 5 1.768 -2.255 -7.345
38 HB2 TRP 5 3HB TRP 5 2.618 -4.590 -8.726
39 HB3 TRP 5 2HB TRP 5 1.084 -4.261 -7.944
40 HD1 TRP 5 HD1 TRP 5 2.724 -4.042 -11.446
41 HE1 TRP 5 HE1 TRP 5 0.893 -3.984 -13.346
42 HE3 TRP 5 HE3 TRP 5 -1.266 -3.680 -8.315
43 HZ2 TRP 5 HZ2 TRP 5 -1.954 -3.797 -13.326
44 HZ3 TRP 5 HZ3 TRP 5 -3.537 -3.565 -9.337
45 HH2 TRP 5 HH2 TRP 5 -3.916 -3.618 -11.751
46 H THR 6 H THR 6 4.051 -0.842 -9.173
47 HA THR 6 HA THR 6 2.267 0.155 -11.263
48 HB THR 6 HB THR 6 5.240 0.689 -10.770
49 HG1 THR 6 HG1 THR 6 5.468 -1.186 -12.139
50 HG21 THR 6 1HG2 THR 6 3.571 1.913 -12.583
51 HG22 THR 6 2HG2 THR 6 4.027 0.456 -13.498
52 HG23 THR 6 3HG2 THR 6 5.286 1.570 -12.914
53 H ALA 7 H ALA 7 1.786 0.764 -8.395
54 HA ALA 7 HA ALA 7 1.156 2.514 -7.197
55 HB1 ALA 7 1HB ALA 7 1.054 3.445 -9.967
56 HB2 ALA 7 2HB ALA 7 1.375 4.778 -8.832
57 HB3 ALA 7 3HB ALA 7 -0.069 3.758 -8.622
58 H CYS 8 H CYS 8 3.330 1.889 -6.296
59 HA CYS 8 HA CYS 8 4.695 4.085 -5.356
60 HB2 CYS 8 2HB CYS 8 4.749 1.573 -4.624
61 HB3 CYS 8 3HB CYS 8 6.141 1.480 -5.698
62 H GLY 9 H GLY 9 5.429 2.095 -8.183
63 HA2 GLY 9 2HA GLY 9 6.764 2.503 -10.006
64 HA3 GLY 9 3HA GLY 9 6.728 4.198 -9.544
Start of MODEL 19
1 H1 CYS 1 H CYS 1 -0.235 -0.536 -0.883
2 HA CYS 1 HA CYS 1 1.171 -0.941 -3.143
3 HB2 CYS 1 2HB CYS 1 2.182 0.591 -0.737
4 HB3 CYS 1 3HB CYS 1 2.767 0.780 -2.387
5 H ARG 2 H ARG 2 3.064 -1.958 -3.868
6 HA ARG 2 HA ARG 2 4.275 -3.643 -1.846
7 HB2 ARG 2 3HB ARG 2 6.366 -2.946 -3.653
8 HB3 ARG 2 2HB ARG 2 5.562 -1.435 -3.280
9 HG2 ARG 2 3HG ARG 2 5.872 -1.771 -0.881
10 HG3 ARG 2 2HG ARG 2 6.434 -3.413 -1.126
11 HD2 ARG 2 3HD ARG 2 8.345 -1.881 -0.724
12 HD3 ARG 2 2HD ARG 2 8.441 -2.581 -2.328
13 HE ARG 2 HE ARG 2 7.067 -0.271 -2.834
14 HH11 ARG 2 1HH1 ARG 2 9.517 2.204 -2.617
15 HH12 ARG 2 2HH1 ARG 2 7.963 1.788 -3.258
16 HH21 ARG 2 1HH2 ARG 2 10.689 0.671 -1.328
17 HH22 ARG 2 2HH2 ARG 2 10.009 -0.890 -1.007
18 HA PRO 3 HA PRO 3 4.223 -6.613 -5.042
19 HB2 PRO 3 3HB PRO 3 5.027 -8.288 -3.682
20 HB3 PRO 3 2HB PRO 3 6.478 -8.105 -4.646
21 HG2 PRO 3 3HG PRO 3 6.301 -7.557 -1.904
22 HG3 PRO 3 2HG PRO 3 7.583 -6.991 -2.957
23 HD2 PRO 3 3HD PRO 3 5.496 -5.415 -1.679
24 HD3 PRO 3 2HD PRO 3 6.845 -4.837 -2.637
25 H LEU 4 H LEU 4 4.594 -4.460 -6.359
26 HA LEU 4 HA LEU 4 6.581 -5.281 -8.309
27 HB2 LEU 4 3HB LEU 4 6.601 -2.583 -6.953
28 HB3 LEU 4 2HB LEU 4 7.828 -3.828 -6.827
29 HG LEU 4 HG LEU 4 7.106 -2.357 -9.377
30 HD11 LEU 4 1HD2 LEU 4 9.105 -1.810 -7.227
31 HD12 LEU 4 2HD2 LEU 4 8.150 -0.687 -8.224
32 HD13 LEU 4 3HD2 LEU 4 9.571 -1.504 -8.918
33 HD21 LEU 4 1HD1 LEU 4 9.534 -4.086 -8.889
34 HD22 LEU 4 2HD1 LEU 4 8.913 -3.444 -10.429
35 HD23 LEU 4 3HD1 LEU 4 8.019 -4.723 -9.573
36 H TRP 5 H TRP 5 5.129 -2.039 -8.094
37 HA TRP 5 HA TRP 5 3.633 -2.659 -10.509
38 HB2 TRP 5 3HB TRP 5 3.302 0.042 -9.707
39 HB3 TRP 5 2HB TRP 5 4.987 -0.366 -9.451
40 HD1 TRP 5 HD1 TRP 5 6.484 -0.168 -11.588
41 HE1 TRP 5 HE1 TRP 5 6.175 0.005 -14.203
42 HE3 TRP 5 HE3 TRP 5 1.453 -0.905 -11.570
43 HZ2 TRP 5 HZ2 TRP 5 3.912 -0.182 -15.932
44 HZ3 TRP 5 HZ3 TRP 5 0.270 -0.896 -13.764
45 HH2 TRP 5 HH2 TRP 5 1.418 -0.550 -15.895
46 H THR 6 H THR 6 3.275 -2.604 -7.093
47 HA THR 6 HA THR 6 1.521 -2.472 -5.706
48 HB THR 6 HB THR 6 -0.122 -4.127 -6.232
49 HG1 THR 6 HG1 THR 6 0.497 -3.733 -9.049
50 HG21 THR 6 1HG2 THR 6 2.263 -5.028 -6.560
51 HG22 THR 6 2HG2 THR 6 2.053 -4.721 -8.300
52 HG23 THR 6 3HG2 THR 6 1.006 -5.897 -7.471
53 H ALA 7 H ALA 7 1.945 -0.023 -6.974
54 HA ALA 7 HA ALA 7 -0.792 0.846 -7.584
55 HB1 ALA 7 1HB ALA 7 0.351 2.822 -8.598
56 HB2 ALA 7 2HB ALA 7 0.828 1.285 -9.359
57 HB3 ALA 7 3HB ALA 7 1.921 2.083 -8.203
58 H CYS 8 H CYS 8 1.263 3.357 -6.880
59 HA CYS 8 HA CYS 8 -0.033 3.834 -4.324
60 HB2 CYS 8 2HB CYS 8 2.442 2.652 -4.286
61 HB3 CYS 8 3HB CYS 8 2.854 4.361 -4.179
62 H GLY 9 H GLY 9 2.271 4.964 -6.765
63 HA2 GLY 9 2HA GLY 9 2.261 7.009 -7.874
64 HA3 GLY 9 3HA GLY 9 0.958 7.542 -6.823
Start of MODEL 20
1 H1 CYS 1 H CYS 1 2.705 2.439 -2.930
2 HA CYS 1 HA CYS 1 4.363 1.325 -4.606
3 HB2 CYS 1 2HB CYS 1 5.828 1.094 -1.970
4 HB3 CYS 1 3HB CYS 1 6.343 0.443 -3.523
5 H ARG 2 H ARG 2 4.836 -1.179 -4.295
6 HA ARG 2 HA ARG 2 2.456 -2.332 -3.653
7 HB2 ARG 2 3HB ARG 2 4.105 -3.508 -1.546
8 HB3 ARG 2 2HB ARG 2 3.963 -1.781 -1.283
9 HG2 ARG 2 3HG ARG 2 1.450 -1.997 -1.549
10 HG3 ARG 2 2HG ARG 2 1.646 -3.734 -1.670
11 HD2 ARG 2 3HD ARG 2 2.381 -1.985 0.725
12 HD3 ARG 2 2HD ARG 2 1.077 -3.153 0.646
13 HE ARG 2 HE ARG 2 2.665 -4.941 0.761
14 HH11 ARG 2 1HH1 ARG 2 6.019 -4.668 1.683
15 HH12 ARG 2 2HH1 ARG 2 4.683 -5.749 1.465
16 HH21 ARG 2 1HH2 ARG 2 5.759 -2.401 1.261
17 HH22 ARG 2 2HH2 ARG 2 4.228 -1.789 0.728
18 HA PRO 3 HA PRO 3 5.929 -5.520 -4.279
19 HB2 PRO 3 3HB PRO 3 7.660 -5.475 -2.762
20 HB3 PRO 3 2HB PRO 3 8.548 -4.763 -4.094
21 HG2 PRO 3 3HG PRO 3 7.949 -3.454 -1.690
22 HG3 PRO 3 2HG PRO 3 8.445 -2.654 -3.168
23 HD2 PRO 3 3HD PRO 3 5.832 -2.580 -1.888
24 HD3 PRO 3 2HD PRO 3 6.363 -1.690 -3.302
25 H LEU 4 H LEU 4 4.647 -4.176 -6.162
26 HA LEU 4 HA LEU 4 6.184 -4.717 -8.410
27 HB2 LEU 4 3HB LEU 4 6.176 -1.821 -7.571
28 HB3 LEU 4 2HB LEU 4 7.564 -2.857 -7.835
29 HG LEU 4 HG LEU 4 5.869 -2.654 -10.211
30 HD11 LEU 4 1HD2 LEU 4 7.309 -0.119 -9.905
31 HD12 LEU 4 2HD2 LEU 4 5.934 -0.301 -8.789
32 HD13 LEU 4 3HD2 LEU 4 5.682 -0.453 -10.545
33 HD21 LEU 4 1HD1 LEU 4 8.119 -3.610 -10.214
34 HD22 LEU 4 2HD1 LEU 4 8.795 -2.044 -9.706
35 HD23 LEU 4 3HD1 LEU 4 8.013 -2.201 -11.297
36 H TRP 5 H TRP 5 4.333 -1.700 -8.382
37 HA TRP 5 HA TRP 5 1.883 -3.132 -9.022
38 HB2 TRP 5 3HB TRP 5 2.424 -1.000 -10.945
39 HB3 TRP 5 2HB TRP 5 3.561 -2.328 -11.067
40 HD1 TRP 5 HD1 TRP 5 2.182 -4.901 -11.209
41 HE1 TRP 5 HE1 TRP 5 0.110 -5.595 -12.688
42 HE3 TRP 5 HE3 TRP 5 0.491 -0.170 -11.991
43 HZ2 TRP 5 HZ2 TRP 5 -1.957 -4.120 -13.990
44 HZ3 TRP 5 HZ3 TRP 5 -1.561 0.115 -13.378
45 HH2 TRP 5 HH2 TRP 5 -2.775 -1.763 -14.362
46 H THR 6 H THR 6 3.222 -1.304 -6.901
47 HA THR 6 HA THR 6 2.541 0.315 -5.536
48 HB THR 6 HB THR 6 0.187 -0.823 -6.530
49 HG1 THR 6 HG1 THR 6 -0.626 0.650 -4.682
50 HG21 THR 6 1HG2 THR 6 -0.267 2.180 -6.434
51 HG22 THR 6 2HG2 THR 6 -1.347 0.910 -7.058
52 HG23 THR 6 3HG2 THR 6 0.092 1.391 -7.989
53 H ALA 7 H ALA 7 3.539 0.694 -8.561
54 HA ALA 7 HA ALA 7 3.182 3.613 -8.464
55 HB1 ALA 7 1HB ALA 7 2.195 3.256 -10.478
56 HB2 ALA 7 2HB ALA 7 2.886 1.624 -10.637
57 HB3 ALA 7 3HB ALA 7 3.862 3.049 -11.065
58 H CYS 8 H CYS 8 5.104 2.083 -7.031
59 HA CYS 8 HA CYS 8 7.594 2.817 -8.429
60 HB2 CYS 8 2HB CYS 8 8.345 3.062 -5.865
61 HB3 CYS 8 3HB CYS 8 7.673 4.400 -6.791
62 H GLY 9 H GLY 9 6.676 1.048 -5.466
63 HA2 GLY 9 2HA GLY 9 6.904 -1.307 -5.191
64 HA3 GLY 9 3HA GLY 9 8.040 -1.324 -6.531
Start of MODEL 21
1 H1 CYS 1 H CYS 1 -0.612 -1.359 -0.875
2 HA CYS 1 HA CYS 1 0.341 -1.589 -2.939
3 HB2 CYS 1 2HB CYS 1 1.260 0.917 -2.117
4 HB3 CYS 1 3HB CYS 1 2.712 0.052 -2.608
5 H ARG 2 H ARG 2 2.806 -2.065 -3.919
6 HA ARG 2 HA ARG 2 3.771 -4.046 -2.035
7 HB2 ARG 2 3HB ARG 2 5.330 -2.108 -1.930
8 HB3 ARG 2 2HB ARG 2 6.124 -3.508 -2.623
9 HG2 ARG 2 3HG ARG 2 6.600 -2.324 -4.494
10 HG3 ARG 2 2HG ARG 2 4.888 -2.106 -4.800
11 HD2 ARG 2 3HD ARG 2 6.098 0.080 -4.625
12 HD3 ARG 2 2HD ARG 2 4.839 -0.072 -3.415
13 HE ARG 2 HE ARG 2 6.482 0.011 -1.760
14 HH11 ARG 2 1HH1 ARG 2 9.946 -0.376 -1.925
15 HH12 ARG 2 2HH1 ARG 2 8.603 0.038 -0.912
16 HH21 ARG 2 1HH2 ARG 2 9.590 -0.958 -4.143
17 HH22 ARG 2 2HH2 ARG 2 7.981 -0.978 -4.786
18 HA PRO 3 HA PRO 3 3.869 -6.559 -5.598
19 HB2 PRO 3 3HB PRO 3 4.219 -8.473 -4.367
20 HB3 PRO 3 2HB PRO 3 5.836 -8.371 -5.036
21 HG2 PRO 3 3HG PRO 3 5.212 -8.131 -2.314
22 HG3 PRO 3 2HG PRO 3 6.721 -7.619 -3.044
23 HD2 PRO 3 3HD PRO 3 4.617 -5.943 -1.933
24 HD3 PRO 3 2HD PRO 3 6.175 -5.440 -2.558
25 H LEU 4 H LEU 4 4.723 -4.322 -6.501
26 HA LEU 4 HA LEU 4 7.125 -5.115 -7.984
27 HB2 LEU 4 3HB LEU 4 6.541 -2.418 -6.756
28 HB3 LEU 4 2HB LEU 4 7.777 -3.552 -6.248
29 HG LEU 4 HG LEU 4 7.677 -2.011 -8.853
30 HD11 LEU 4 1HD2 LEU 4 9.654 -1.902 -6.558
31 HD12 LEU 4 2HD2 LEU 4 8.363 -0.717 -6.873
32 HD13 LEU 4 3HD2 LEU 4 9.689 -0.921 -8.043
33 HD21 LEU 4 1HD1 LEU 4 9.963 -3.046 -9.231
34 HD22 LEU 4 2HD1 LEU 4 8.559 -4.116 -9.460
35 HD23 LEU 4 3HD1 LEU 4 9.530 -4.229 -7.973
36 H TRP 5 H TRP 5 5.118 -2.128 -8.116
37 HA TRP 5 HA TRP 5 4.348 -2.954 -10.831
38 HB2 TRP 5 3HB TRP 5 5.477 -1.085 -11.332
39 HB3 TRP 5 2HB TRP 5 3.962 -0.317 -10.901
40 HD1 TRP 5 HD1 TRP 5 4.000 0.189 -7.925
41 HE1 TRP 5 HE1 TRP 5 5.830 1.535 -6.582
42 HE3 TRP 5 HE3 TRP 5 7.692 -0.363 -11.377
43 HZ2 TRP 5 HZ2 TRP 5 8.555 2.203 -7.103
44 HZ3 TRP 5 HZ3 TRP 5 9.908 0.667 -10.882
45 HH2 TRP 5 HH2 TRP 5 10.369 1.914 -8.831
46 H THR 6 H THR 6 3.352 -2.398 -7.580
47 HA THR 6 HA THR 6 1.374 -2.042 -6.594
48 HB THR 6 HB THR 6 -0.214 -3.733 -7.194
49 HG1 THR 6 HG1 THR 6 -0.752 -3.298 -9.329
50 HG21 THR 6 1HG2 THR 6 2.444 -4.465 -7.183
51 HG22 THR 6 2HG2 THR 6 1.969 -4.973 -8.821
52 HG23 THR 6 3HG2 THR 6 1.109 -5.622 -7.404
53 H ALA 7 H ALA 7 2.101 0.205 -8.024
54 HA ALA 7 HA ALA 7 -0.539 1.092 -8.947
55 HB1 ALA 7 1HB ALA 7 2.009 2.154 -10.164
56 HB2 ALA 7 2HB ALA 7 0.360 2.138 -10.833
57 HB3 ALA 7 3HB ALA 7 1.306 0.632 -10.762
58 H CYS 8 H CYS 8 -0.539 1.612 -6.614
59 HA CYS 8 HA CYS 8 -0.513 3.143 -4.932
60 HB2 CYS 8 2HB CYS 8 2.164 4.144 -5.825
61 HB3 CYS 8 3HB CYS 8 1.560 3.882 -4.192
62 H GLY 9 H GLY 9 -1.974 4.703 -5.251
63 HA2 GLY 9 2HA GLY 9 -1.237 7.288 -6.044
64 HA3 GLY 9 3HA GLY 9 -1.994 6.498 -7.419
Start of MODEL 22
1 H1 CYS 1 H CYS 1 3.052 2.766 -3.270
2 HA CYS 1 HA CYS 1 4.897 1.488 -3.955
3 HB2 CYS 1 2HB CYS 1 5.861 2.502 -1.460
4 HB3 CYS 1 3HB CYS 1 6.144 0.764 -1.507
5 H ARG 2 H ARG 2 5.255 -0.874 -3.934
6 HA ARG 2 HA ARG 2 2.990 -2.248 -3.363
7 HB2 ARG 2 3HB ARG 2 4.764 -3.469 -1.375
8 HB3 ARG 2 2HB ARG 2 4.455 -1.796 -0.958
9 HG2 ARG 2 3HG ARG 2 2.736 -3.241 0.055
10 HG3 ARG 2 2HG ARG 2 2.000 -2.187 -1.136
11 HD2 ARG 2 3HD ARG 2 1.227 -4.599 -1.279
12 HD3 ARG 2 2HD ARG 2 1.880 -3.974 -2.780
13 HE ARG 2 HE ARG 2 3.702 -5.448 -2.594
14 HH11 ARG 2 1HH1 ARG 2 4.492 -7.717 -0.063
15 HH12 ARG 2 2HH1 ARG 2 4.852 -7.196 -1.675
16 HH21 ARG 2 1HH2 ARG 2 2.842 -6.641 1.163
17 HH22 ARG 2 2HH2 ARG 2 1.970 -5.316 0.466
18 HA PRO 3 HA PRO 3 6.680 -5.102 -4.297
19 HB2 PRO 3 3HB PRO 3 8.440 -5.039 -2.814
20 HB3 PRO 3 2HB PRO 3 9.236 -4.155 -4.100
21 HG2 PRO 3 3HG PRO 3 8.597 -3.092 -1.587
22 HG3 PRO 3 2HG PRO 3 8.991 -2.141 -3.005
23 HD2 PRO 3 3HD PRO 3 6.413 -2.378 -1.675
24 HD3 PRO 3 2HD PRO 3 6.837 -1.339 -3.021
25 H LEU 4 H LEU 4 5.289 -4.060 -6.134
26 HA LEU 4 HA LEU 4 7.014 -4.016 -8.345
27 HB2 LEU 4 3HB LEU 4 5.925 -1.334 -7.485
28 HB3 LEU 4 2HB LEU 4 7.611 -1.809 -7.532
29 HG LEU 4 HG LEU 4 5.842 -1.695 -9.987
30 HD11 LEU 4 1HD2 LEU 4 6.994 0.470 -8.459
31 HD12 LEU 4 2HD2 LEU 4 5.936 0.520 -9.890
32 HD13 LEU 4 3HD2 LEU 4 7.701 0.403 -10.091
33 HD21 LEU 4 1HD1 LEU 4 7.892 -3.162 -10.029
34 HD22 LEU 4 2HD1 LEU 4 8.862 -1.684 -9.818
35 HD23 LEU 4 3HD1 LEU 4 7.838 -1.878 -11.261
36 H TRP 5 H TRP 5 4.271 -1.797 -8.350
37 HA TRP 5 HA TRP 5 2.395 -3.893 -9.001
38 HB2 TRP 5 3HB TRP 5 3.073 -1.819 -11.090
39 HB3 TRP 5 2HB TRP 5 3.679 -3.463 -11.115
40 HD1 TRP 5 HD1 TRP 5 0.855 -1.495 -12.431
41 HE1 TRP 5 HE1 TRP 5 -1.129 -2.968 -13.357
42 HE3 TRP 5 HE3 TRP 5 2.404 -5.850 -10.313
43 HZ2 TRP 5 HZ2 TRP 5 -1.813 -5.727 -13.105
44 HZ3 TRP 5 HZ3 TRP 5 1.020 -7.887 -10.702
45 HH2 TRP 5 HH2 TRP 5 -1.023 -7.873 -12.043
46 H THR 6 H THR 6 2.748 -1.962 -6.844
47 HA THR 6 HA THR 6 1.559 -0.485 -5.684
48 HB THR 6 HB THR 6 -0.645 -0.914 -7.763
49 HG1 THR 6 HG1 THR 6 0.385 -2.411 -5.463
50 HG21 THR 6 1HG2 THR 6 -2.019 0.052 -6.213
51 HG22 THR 6 2HG2 THR 6 -0.562 0.552 -5.321
52 HG23 THR 6 3HG2 THR 6 -1.362 -0.988 -4.927
53 H ALA 7 H ALA 7 3.456 0.749 -6.963
54 HA ALA 7 HA ALA 7 2.108 3.059 -8.185
55 HB1 ALA 7 1HB ALA 7 4.802 1.819 -8.878
56 HB2 ALA 7 2HB ALA 7 4.169 3.339 -9.554
57 HB3 ALA 7 3HB ALA 7 3.337 1.802 -9.889
58 H CYS 8 H CYS 8 5.382 3.449 -7.963
59 HA CYS 8 HA CYS 8 5.154 4.865 -5.390
60 HB2 CYS 8 2HB CYS 8 6.740 2.657 -5.824
61 HB3 CYS 8 3HB CYS 8 7.860 3.988 -6.099
62 H GLY 9 H GLY 9 6.656 4.717 -8.577
63 HA2 GLY 9 2HA GLY 9 6.789 7.614 -8.641
64 HA3 GLY 9 3HA GLY 9 8.347 6.803 -8.686
Start of MODEL 23
1 H1 CYS 1 H CYS 1 4.986 0.554 0.513
2 HA CYS 1 HA CYS 1 3.836 0.810 -2.132
3 HB2 CYS 1 2HB CYS 1 6.410 0.621 -1.226
4 HB3 CYS 1 3HB CYS 1 6.111 -1.023 -1.781
5 H ARG 2 H ARG 2 4.391 -1.588 -3.424
6 HA ARG 2 HA ARG 2 2.170 -3.040 -2.858
7 HB2 ARG 2 3HB ARG 2 4.345 -4.886 -2.013
8 HB3 ARG 2 2HB ARG 2 4.049 -3.589 -0.871
9 HG2 ARG 2 3HG ARG 2 1.643 -5.018 -1.982
10 HG3 ARG 2 2HG ARG 2 2.636 -5.896 -0.836
11 HD2 ARG 2 3HD ARG 2 1.346 -3.164 -0.369
12 HD3 ARG 2 2HD ARG 2 0.839 -4.679 0.350
13 HE ARG 2 HE ARG 2 3.568 -4.395 1.004
14 HH11 ARG 2 1HH1 ARG 2 3.227 -2.506 3.919
15 HH12 ARG 2 2HH1 ARG 2 4.273 -3.539 3.002
16 HH21 ARG 2 1HH2 ARG 2 1.110 -1.992 3.117
17 HH22 ARG 2 2HH2 ARG 2 0.576 -2.641 1.602
18 HA PRO 3 HA PRO 3 5.172 -5.302 -5.777
19 HB2 PRO 3 3HB PRO 3 7.242 -5.839 -4.924
20 HB3 PRO 3 2HB PRO 3 7.784 -4.515 -5.936
21 HG2 PRO 3 3HG PRO 3 7.912 -4.544 -3.137
22 HG3 PRO 3 2HG PRO 3 8.042 -3.106 -4.130
23 HD2 PRO 3 3HD PRO 3 5.867 -3.852 -2.345
24 HD3 PRO 3 2HD PRO 3 6.053 -2.362 -3.249
25 H LEU 4 H LEU 4 5.395 -5.074 -8.011
26 HA LEU 4 HA LEU 4 5.495 -3.945 -9.924
27 HB2 LEU 4 3HB LEU 4 5.855 -1.231 -8.900
28 HB3 LEU 4 2HB LEU 4 7.048 -2.356 -8.283
29 HG LEU 4 HG LEU 4 6.445 -1.952 -11.225
30 HD11 LEU 4 1HD2 LEU 4 7.353 0.097 -10.274
31 HD12 LEU 4 2HD2 LEU 4 8.554 -0.697 -11.321
32 HD13 LEU 4 3HD2 LEU 4 8.701 -0.814 -9.551
33 HD21 LEU 4 1HD1 LEU 4 8.993 -3.001 -10.965
34 HD22 LEU 4 2HD1 LEU 4 7.527 -3.887 -11.447
35 HD23 LEU 4 3HD1 LEU 4 8.049 -3.889 -9.746
36 H TRP 5 H TRP 5 3.920 -2.016 -7.285
37 HA TRP 5 HA TRP 5 1.991 -0.892 -7.277
38 HB2 TRP 5 3HB TRP 5 1.267 -3.171 -6.849
39 HB3 TRP 5 2HB TRP 5 0.037 -2.245 -7.686
40 HD1 TRP 5 HD1 TRP 5 -0.568 -3.033 -10.220
41 HE1 TRP 5 HE1 TRP 5 -0.160 -5.225 -11.632
42 HE3 TRP 5 HE3 TRP 5 3.007 -4.965 -7.164
43 HZ2 TRP 5 HZ2 TRP 5 1.574 -7.470 -11.319
44 HZ3 TRP 5 HZ3 TRP 5 4.007 -7.162 -7.789
45 HH2 TRP 5 HH2 TRP 5 3.345 -8.406 -9.786
46 H THR 6 H THR 6 3.679 -0.067 -9.392
47 HA THR 6 HA THR 6 1.711 0.414 -11.533
48 HB THR 6 HB THR 6 3.689 -1.096 -12.123
49 HG1 THR 6 HG1 THR 6 3.964 0.181 -14.069
50 HG21 THR 6 1HG2 THR 6 5.353 1.425 -12.210
51 HG22 THR 6 2HG2 THR 6 5.886 -0.273 -12.151
52 HG23 THR 6 3HG2 THR 6 5.287 0.523 -10.676
53 H ALA 7 H ALA 7 4.231 1.720 -9.373
54 HA ALA 7 HA ALA 7 3.031 4.317 -9.654
55 HB1 ALA 7 1HB ALA 7 5.963 3.967 -10.379
56 HB2 ALA 7 2HB ALA 7 4.995 5.459 -10.452
57 HB3 ALA 7 3HB ALA 7 4.663 4.126 -11.584
58 H CYS 8 H CYS 8 2.712 3.159 -7.493
59 HA CYS 8 HA CYS 8 3.145 2.952 -5.263
60 HB2 CYS 8 2HB CYS 8 5.266 1.842 -6.052
61 HB3 CYS 8 3HB CYS 8 6.056 3.411 -5.929
62 H GLY 9 H GLY 9 5.495 5.350 -6.487
63 HA2 GLY 9 2HA GLY 9 5.614 7.626 -6.104
64 HA3 GLY 9 3HA GLY 9 4.052 7.532 -5.303
Start of MODEL 24
1 H1 CYS 1 H CYS 1 3.428 1.406 -5.265
2 HA CYS 1 HA CYS 1 5.696 1.374 -3.676
3 HB2 CYS 1 2HB CYS 1 2.866 2.205 -3.021
4 HB3 CYS 1 3HB CYS 1 4.228 2.487 -1.942
5 H ARG 2 H ARG 2 5.102 -1.383 -4.047
6 HA ARG 2 HA ARG 2 3.652 -2.528 -2.057
7 HB2 ARG 2 3HB ARG 2 6.258 -3.092 -0.938
8 HB3 ARG 2 2HB ARG 2 6.085 -1.350 -1.023
9 HG2 ARG 2 3HG ARG 2 5.089 -1.773 1.047
10 HG3 ARG 2 2HG ARG 2 3.681 -1.805 0.005
11 HD2 ARG 2 3HD ARG 2 5.071 -4.428 0.233
12 HD3 ARG 2 2HD ARG 2 4.411 -3.840 1.745
13 HE ARG 2 HE ARG 2 2.345 -3.433 -0.072
14 HH11 ARG 2 1HH1 ARG 2 0.957 -6.631 -0.227
15 HH12 ARG 2 2HH1 ARG 2 0.684 -4.943 -0.501
16 HH21 ARG 2 1HH2 ARG 2 3.010 -7.360 0.574
17 HH22 ARG 2 2HH2 ARG 2 4.269 -6.216 0.899
18 HA PRO 3 HA PRO 3 6.888 -5.485 -3.904
19 HB2 PRO 3 3HB PRO 3 9.100 -4.929 -3.585
20 HB3 PRO 3 2HB PRO 3 9.031 -4.496 -5.282
21 HG2 PRO 3 3HG PRO 3 9.482 -2.690 -3.187
22 HG3 PRO 3 2HG PRO 3 8.993 -2.240 -4.809
23 HD2 PRO 3 3HD PRO 3 7.430 -2.066 -2.360
24 HD3 PRO 3 2HD PRO 3 6.985 -1.510 -3.962
25 H LEU 4 H LEU 4 4.705 -3.934 -5.081
26 HA LEU 4 HA LEU 4 4.653 -5.282 -7.536
27 HB2 LEU 4 3HB LEU 4 5.023 -2.308 -7.854
28 HB3 LEU 4 2HB LEU 4 6.353 -3.442 -7.985
29 HG LEU 4 HG LEU 4 3.864 -3.562 -9.707
30 HD11 LEU 4 1HD2 LEU 4 5.699 -2.753 -11.452
31 HD12 LEU 4 2HD2 LEU 4 6.383 -1.993 -9.995
32 HD13 LEU 4 3HD2 LEU 4 4.721 -1.608 -10.503
33 HD21 LEU 4 1HD1 LEU 4 6.558 -4.905 -10.055
34 HD22 LEU 4 2HD1 LEU 4 5.131 -5.076 -11.105
35 HD23 LEU 4 3HD1 LEU 4 5.087 -5.693 -9.436
36 H TRP 5 H TRP 5 3.210 -2.362 -8.231
37 HA TRP 5 HA TRP 5 0.798 -3.046 -6.697
38 HB2 TRP 5 3HB TRP 5 -0.048 -3.771 -8.629
39 HB3 TRP 5 2HB TRP 5 -0.267 -2.065 -8.962
40 HD1 TRP 5 HD1 TRP 5 2.032 -0.948 -10.376
41 HE1 TRP 5 HE1 TRP 5 3.338 -1.921 -12.452
42 HE3 TRP 5 HE3 TRP 5 0.553 -5.768 -9.713
43 HZ2 TRP 5 HZ2 TRP 5 3.601 -4.538 -13.559
44 HZ3 TRP 5 HZ3 TRP 5 1.379 -7.470 -11.336
45 HH2 TRP 5 HH2 TRP 5 2.853 -6.921 -13.207
46 H THR 6 H THR 6 2.670 -0.622 -8.630
47 HA THR 6 HA THR 6 2.086 1.391 -6.658
48 HB THR 6 HB THR 6 0.899 1.452 -9.473
49 HG1 THR 6 HG1 THR 6 -0.544 0.671 -7.897
50 HG21 THR 6 1HG2 THR 6 1.743 3.692 -9.243
51 HG22 THR 6 2HG2 THR 6 1.444 3.704 -7.488
52 HG23 THR 6 3HG2 THR 6 0.076 3.780 -8.625
53 H ALA 7 H ALA 7 2.822 1.975 -10.102
54 HA ALA 7 HA ALA 7 4.582 2.985 -11.012
55 HB1 ALA 7 1HB ALA 7 6.812 1.717 -10.013
56 HB2 ALA 7 2HB ALA 7 5.764 1.069 -11.298
57 HB3 ALA 7 3HB ALA 7 5.524 0.556 -9.611
58 H CYS 8 H CYS 8 3.551 4.068 -8.505
59 HA CYS 8 HA CYS 8 5.067 6.257 -8.088
60 HB2 CYS 8 2HB CYS 8 4.069 6.443 -5.842
61 HB3 CYS 8 3HB CYS 8 2.880 5.955 -7.045
62 H GLY 9 H GLY 9 5.555 3.109 -6.560
63 HA2 GLY 9 2HA GLY 9 7.653 3.972 -4.831
64 HA3 GLY 9 3HA GLY 9 7.257 2.307 -5.232
Start of MODEL 25
1 H1 CYS 1 H CYS 1 -0.953 0.447 -3.447
2 HA CYS 1 HA CYS 1 1.326 0.577 -3.926
3 HB2 CYS 1 2HB CYS 1 1.152 1.102 -0.951
4 HB3 CYS 1 3HB CYS 1 2.469 1.617 -2.000
5 H ARG 2 H ARG 2 3.088 -0.750 -4.265
6 HA ARG 2 HA ARG 2 3.626 -2.660 -2.152
7 HB2 ARG 2 3HB ARG 2 5.662 -2.824 -4.134
8 HB3 ARG 2 2HB ARG 2 5.275 -1.119 -4.028
9 HG2 ARG 2 3HG ARG 2 5.561 -1.229 -1.529
10 HG3 ARG 2 2HG ARG 2 5.998 -2.921 -1.668
11 HD2 ARG 2 3HD ARG 2 8.150 -2.213 -1.911
12 HD3 ARG 2 2HD ARG 2 7.699 -1.704 -3.526
13 HE ARG 2 HE ARG 2 7.078 0.249 -1.408
14 HH11 ARG 2 1HH1 ARG 2 9.517 2.465 -2.557
15 HH12 ARG 2 2HH1 ARG 2 8.159 2.261 -1.502
16 HH21 ARG 2 1HH2 ARG 2 10.240 0.696 -3.874
17 HH22 ARG 2 2HH2 ARG 2 9.421 -0.828 -3.802
18 HA PRO 3 HA PRO 3 2.629 -6.016 -4.759
19 HB2 PRO 3 3HB PRO 3 3.221 -7.598 -3.194
20 HB3 PRO 3 2HB PRO 3 4.556 -7.897 -4.289
21 HG2 PRO 3 3HG PRO 3 4.818 -6.905 -1.680
22 HG3 PRO 3 2HG PRO 3 6.057 -6.811 -2.916
23 HD2 PRO 3 3HD PRO 3 4.507 -4.629 -1.773
24 HD3 PRO 3 2HD PRO 3 5.825 -4.525 -2.923
25 H LEU 4 H LEU 4 3.041 -4.453 -6.589
26 HA LEU 4 HA LEU 4 4.438 -5.922 -8.554
27 HB2 LEU 4 3HB LEU 4 5.754 -3.400 -7.541
28 HB3 LEU 4 2HB LEU 4 6.392 -5.029 -7.434
29 HG LEU 4 HG LEU 4 5.946 -3.438 -9.974
30 HD11 LEU 4 1HD2 LEU 4 8.646 -4.397 -9.347
31 HD12 LEU 4 2HD2 LEU 4 8.006 -3.225 -8.170
32 HD13 LEU 4 3HD2 LEU 4 8.087 -2.799 -9.897
33 HD21 LEU 4 1HD1 LEU 4 7.157 -6.200 -9.696
34 HD22 LEU 4 2HD1 LEU 4 6.904 -5.276 -11.196
35 HD23 LEU 4 3HD1 LEU 4 5.505 -5.866 -10.268
36 H TRP 5 H TRP 5 4.444 -2.363 -8.520
37 HA TRP 5 HA TRP 5 2.040 -2.445 -10.214
38 HB2 TRP 5 3HB TRP 5 3.350 -0.270 -11.136
39 HB3 TRP 5 2HB TRP 5 4.717 -1.282 -10.713
40 HD1 TRP 5 HD1 TRP 5 1.388 -1.859 -12.709
41 HE1 TRP 5 HE1 TRP 5 1.851 -3.322 -14.856
42 HE3 TRP 5 HE3 TRP 5 6.359 -2.495 -11.846
43 HZ2 TRP 5 HZ2 TRP 5 4.192 -4.554 -15.928
44 HZ3 TRP 5 HZ3 TRP 5 7.660 -3.842 -13.492
45 HH2 TRP 5 HH2 TRP 5 6.654 -4.854 -15.476
46 H THR 6 H THR 6 2.767 -1.958 -7.206
47 HA THR 6 HA THR 6 1.761 -0.719 -5.626
48 HB THR 6 HB THR 6 0.792 1.273 -7.711
49 HG1 THR 6 HG1 THR 6 -0.026 -1.461 -7.045
50 HG21 THR 6 1HG2 THR 6 -0.578 -0.033 -5.304
51 HG22 THR 6 2HG2 THR 6 -1.204 1.314 -6.285
52 HG23 THR 6 3HG2 THR 6 0.217 1.558 -5.242
53 H ALA 7 H ALA 7 3.472 1.038 -8.251
54 HA ALA 7 HA ALA 7 4.926 2.716 -8.179
55 HB1 ALA 7 1HB ALA 7 6.528 1.226 -7.401
56 HB2 ALA 7 2HB ALA 7 5.668 0.933 -5.871
57 HB3 ALA 7 3HB ALA 7 6.563 2.452 -6.111
58 H CYS 8 H CYS 8 2.308 3.025 -6.826
59 HA CYS 8 HA CYS 8 2.360 5.628 -6.058
60 HB2 CYS 8 2HB CYS 8 0.174 5.319 -5.638
61 HB3 CYS 8 3HB CYS 8 0.445 3.641 -6.095
62 H GLY 9 H GLY 9 3.278 2.861 -4.134
63 HA2 GLY 9 2HA GLY 9 4.309 4.695 -2.092
64 HA3 GLY 9 3HA GLY 9 3.221 3.415 -1.577
Start of MODEL 26
1 H1 CYS 1 H CYS 1 3.287 -3.180 1.540
2 HA CYS 1 HA CYS 1 2.093 -2.050 -0.357
3 HB2 CYS 1 2HB CYS 1 4.589 -1.487 0.653
4 HB3 CYS 1 3HB CYS 1 4.898 -1.590 -1.077
5 H ARG 2 H ARG 2 3.273 -1.362 -2.795
6 HA ARG 2 HA ARG 2 3.385 -1.998 -4.856
7 HB2 ARG 2 3HB ARG 2 2.200 -4.061 -5.604
8 HB3 ARG 2 2HB ARG 2 2.151 -4.651 -3.955
9 HG2 ARG 2 3HG ARG 2 0.000 -3.676 -4.318
10 HG3 ARG 2 2HG ARG 2 0.866 -2.501 -3.347
11 HD2 ARG 2 3HD ARG 2 1.551 -1.744 -5.949
12 HD3 ARG 2 2HD ARG 2 -0.106 -2.283 -6.140
13 HE ARG 2 HE ARG 2 0.806 0.067 -4.648
14 HH11 ARG 2 1HH1 ARG 2 -2.423 0.901 -3.621
15 HH12 ARG 2 2HH1 ARG 2 -0.783 1.443 -3.753
16 HH21 ARG 2 1HH2 ARG 2 -3.005 -1.223 -4.354
17 HH22 ARG 2 2HH2 ARG 2 -1.800 -2.266 -5.032
18 HA PRO 3 HA PRO 3 7.045 -4.596 -3.868
19 HB2 PRO 3 3HB PRO 3 8.312 -3.132 -2.622
20 HB3 PRO 3 2HB PRO 3 8.999 -2.711 -4.178
21 HG2 PRO 3 3HG PRO 3 7.509 -0.971 -2.565
22 HG3 PRO 3 2HG PRO 3 7.834 -0.724 -4.269
23 HD2 PRO 3 3HD PRO 3 5.285 -1.350 -3.011
24 HD3 PRO 3 2HD PRO 3 5.591 -0.989 -4.698
25 H LEU 4 H LEU 4 5.534 -3.409 -6.369
26 HA LEU 4 HA LEU 4 6.881 -4.991 -8.205
27 HB2 LEU 4 3HB LEU 4 7.430 -2.263 -9.121
28 HB3 LEU 4 2HB LEU 4 8.357 -2.723 -7.706
29 HG LEU 4 HG LEU 4 8.265 -4.297 -10.295
30 HD11 LEU 4 1HD2 LEU 4 10.823 -3.374 -10.067
31 HD12 LEU 4 2HD2 LEU 4 9.889 -1.993 -9.443
32 HD13 LEU 4 3HD2 LEU 4 9.552 -2.633 -11.070
33 HD21 LEU 4 1HD1 LEU 4 10.182 -5.521 -9.361
34 HD22 LEU 4 2HD1 LEU 4 8.713 -5.718 -8.375
35 HD23 LEU 4 3HD1 LEU 4 10.007 -4.620 -7.836
36 H TRP 5 H TRP 5 4.733 -2.344 -7.308
37 HA TRP 5 HA TRP 5 2.618 -2.010 -7.962
38 HB2 TRP 5 3HB TRP 5 2.914 -3.862 -10.309
39 HB3 TRP 5 2HB TRP 5 2.731 -4.495 -8.685
40 HD1 TRP 5 HD1 TRP 5 0.756 -2.289 -11.209
41 HE1 TRP 5 HE1 TRP 5 -1.837 -2.422 -10.738
42 HE3 TRP 5 HE3 TRP 5 1.138 -5.072 -6.971
43 HZ2 TRP 5 HZ2 TRP 5 -3.402 -3.648 -8.691
44 HZ3 TRP 5 HZ3 TRP 5 -0.971 -5.694 -5.796
45 HH2 TRP 5 HH2 TRP 5 -3.184 -5.029 -6.591
46 H THR 6 H THR 6 5.400 -1.017 -9.097
47 HA THR 6 HA THR 6 4.266 0.396 -11.422
48 HB THR 6 HB THR 6 6.247 -1.247 -11.739
49 HG1 THR 6 HG1 THR 6 5.571 0.805 -12.994
50 HG21 THR 6 1HG2 THR 6 8.022 1.010 -10.868
51 HG22 THR 6 2HG2 THR 6 8.341 -0.742 -10.871
52 HG23 THR 6 3HG2 THR 6 7.375 -0.015 -9.564
53 H ALA 7 H ALA 7 5.309 0.656 -8.155
54 HA ALA 7 HA ALA 7 5.389 3.573 -8.492
55 HB1 ALA 7 1HB ALA 7 7.663 2.785 -8.096
56 HB2 ALA 7 2HB ALA 7 7.120 1.824 -6.700
57 HB3 ALA 7 3HB ALA 7 7.061 3.602 -6.633
58 H CYS 8 H CYS 8 5.891 2.577 -5.367
59 HA CYS 8 HA CYS 8 3.041 2.403 -4.701
60 HB2 CYS 8 2HB CYS 8 4.698 0.680 -3.848
61 HB3 CYS 8 3HB CYS 8 5.377 1.955 -2.841
62 H GLY 9 H GLY 9 5.933 4.318 -4.130
63 HA2 GLY 9 2HA GLY 9 5.613 6.725 -3.858
64 HA3 GLY 9 3HA GLY 9 4.220 6.357 -2.853
Start of MODEL 27
1 H1 CYS 1 H CYS 1 6.306 -0.387 -3.142
2 HA CYS 1 HA CYS 1 3.436 0.186 -2.791
3 HB2 CYS 1 2HB CYS 1 4.603 0.229 -5.519
4 HB3 CYS 1 3HB CYS 1 3.355 1.249 -4.811
5 H ARG 2 H ARG 2 4.173 -2.362 -2.049
6 HA ARG 2 HA ARG 2 2.617 -3.880 -3.721
7 HB2 ARG 2 3HB ARG 2 4.520 -5.553 -2.278
8 HB3 ARG 2 2HB ARG 2 4.040 -4.215 -1.253
9 HG2 ARG 2 3HG ARG 2 1.906 -5.722 -2.779
10 HG3 ARG 2 2HG ARG 2 2.589 -6.451 -1.340
11 HD2 ARG 2 3HD ARG 2 1.449 -3.618 -1.386
12 HD3 ARG 2 2HD ARG 2 0.494 -5.024 -0.959
13 HE ARG 2 HE ARG 2 2.809 -5.159 0.644
14 HH11 ARG 2 1HH1 ARG 2 1.735 -3.183 3.312
15 HH12 ARG 2 2HH1 ARG 2 2.868 -4.387 2.794
16 HH21 ARG 2 1HH2 ARG 2 0.159 -2.355 1.824
17 HH22 ARG 2 2HH2 ARG 2 0.115 -2.941 0.194
18 HA PRO 3 HA PRO 3 6.702 -5.590 -5.457
19 HB2 PRO 3 3HB PRO 3 8.421 -5.887 -3.955
20 HB3 PRO 3 2HB PRO 3 9.085 -4.465 -4.735
21 HG2 PRO 3 3HG PRO 3 8.275 -4.589 -2.054
22 HG3 PRO 3 2HG PRO 3 8.532 -3.108 -2.955
23 HD2 PRO 3 3HD PRO 3 6.010 -4.200 -2.000
24 HD3 PRO 3 2HD PRO 3 6.282 -2.664 -2.798
25 H LEU 4 H LEU 4 5.107 -3.889 -6.653
26 HA LEU 4 HA LEU 4 6.726 -2.911 -8.708
27 HB2 LEU 4 3HB LEU 4 5.549 -0.516 -7.510
28 HB3 LEU 4 2HB LEU 4 6.807 -1.231 -6.522
29 HG LEU 4 HG LEU 4 7.369 0.597 -8.316
30 HD11 LEU 4 1HD2 LEU 4 9.241 -1.740 -8.384
31 HD12 LEU 4 2HD2 LEU 4 8.880 -0.955 -6.828
32 HD13 LEU 4 3HD2 LEU 4 9.578 -0.006 -8.162
33 HD21 LEU 4 1HD1 LEU 4 6.251 -1.033 -10.079
34 HD22 LEU 4 2HD1 LEU 4 7.891 -1.724 -10.121
35 HD23 LEU 4 3HD1 LEU 4 7.640 -0.004 -10.501
36 H TRP 5 H TRP 5 3.677 -2.743 -6.830
37 HA TRP 5 HA TRP 5 1.587 -3.109 -7.521
38 HB2 TRP 5 3HB TRP 5 2.459 -3.192 -10.400
39 HB3 TRP 5 2HB TRP 5 2.731 -4.548 -9.324
40 HD1 TRP 5 HD1 TRP 5 0.177 -3.309 -11.662
41 HE1 TRP 5 HE1 TRP 5 -2.171 -4.486 -11.404
42 HE3 TRP 5 HE3 TRP 5 1.148 -5.424 -7.142
43 HZ2 TRP 5 HZ2 TRP 5 -3.332 -6.133 -9.383
44 HZ3 TRP 5 HZ3 TRP 5 -0.646 -6.802 -6.095
45 HH2 TRP 5 HH2 TRP 5 -2.824 -7.171 -7.141
46 H THR 6 H THR 6 2.850 -0.547 -7.055
47 HA THR 6 HA THR 6 2.224 1.596 -7.154
48 HB THR 6 HB THR 6 0.206 0.966 -9.340
49 HG1 THR 6 HG1 THR 6 -0.013 0.562 -6.445
50 HG21 THR 6 1HG2 THR 6 0.409 3.316 -8.375
51 HG22 THR 6 2HG2 THR 6 0.033 2.631 -6.776
52 HG23 THR 6 3HG2 THR 6 -1.176 2.560 -8.081
53 H ALA 7 H ALA 7 4.445 1.762 -7.969
54 HA ALA 7 HA ALA 7 4.472 3.289 -10.350
55 HB1 ALA 7 1HB ALA 7 4.979 0.408 -10.548
56 HB2 ALA 7 2HB ALA 7 6.358 1.379 -11.116
57 HB3 ALA 7 3HB ALA 7 4.747 1.614 -11.836
58 H CYS 8 H CYS 8 5.086 4.110 -7.983
59 HA CYS 8 HA CYS 8 6.686 5.182 -6.771
60 HB2 CYS 8 2HB CYS 8 8.579 2.902 -7.119
61 HB3 CYS 8 3HB CYS 8 8.176 3.813 -5.668
62 H GLY 9 H GLY 9 7.445 6.894 -7.875
63 HA2 GLY 9 2HA GLY 9 8.842 8.175 -9.168
64 HA3 GLY 9 3HA GLY 9 10.044 6.920 -8.904
Start of MODEL 28
1 H1 CYS 1 H CYS 1 0.041 -1.479 -4.146
2 HA CYS 1 HA CYS 1 2.264 -0.750 -4.313
3 HB2 CYS 1 2HB CYS 1 1.443 1.162 -2.649
4 HB3 CYS 1 3HB CYS 1 2.342 0.192 -1.487
5 H ARG 2 H ARG 2 3.497 -2.595 -4.348
6 HA ARG 2 HA ARG 2 3.132 -4.694 -2.709
7 HB2 ARG 2 3HB ARG 2 5.674 -3.962 -1.570
8 HB3 ARG 2 2HB ARG 2 4.598 -2.600 -1.327
9 HG2 ARG 2 3HG ARG 2 2.862 -4.422 -0.524
10 HG3 ARG 2 2HG ARG 2 4.265 -5.459 -0.364
11 HD2 ARG 2 3HD ARG 2 4.138 -4.494 1.780
12 HD3 ARG 2 2HD ARG 2 5.311 -3.455 0.995
13 HE ARG 2 HE ARG 2 2.798 -2.306 0.449
14 HH11 ARG 2 1HH1 ARG 2 2.447 -0.364 3.327
15 HH12 ARG 2 2HH1 ARG 2 1.920 -0.603 1.695
16 HH21 ARG 2 1HH2 ARG 2 4.045 -1.772 4.249
17 HH22 ARG 2 2HH2 ARG 2 4.711 -3.062 3.304
18 HA PRO 3 HA PRO 3 7.324 -4.872 -4.952
19 HB2 PRO 3 3HB PRO 3 8.857 -3.240 -4.416
20 HB3 PRO 3 2HB PRO 3 8.427 -2.596 -5.988
21 HG2 PRO 3 3HG PRO 3 7.943 -1.309 -3.546
22 HG3 PRO 3 2HG PRO 3 7.163 -0.905 -5.062
23 HD2 PRO 3 3HD PRO 3 5.966 -2.133 -2.711
24 HD3 PRO 3 2HD PRO 3 5.164 -1.623 -4.183
25 H LEU 4 H LEU 4 6.337 -2.018 -6.761
26 HA LEU 4 HA LEU 4 5.068 -3.756 -8.705
27 HB2 LEU 4 3HB LEU 4 6.758 -3.809 -10.109
28 HB3 LEU 4 2HB LEU 4 6.626 -2.070 -10.283
29 HG LEU 4 HG LEU 4 8.150 -2.042 -8.123
30 HD11 LEU 4 1HD2 LEU 4 9.695 -4.261 -9.009
31 HD12 LEU 4 2HD2 LEU 4 8.037 -4.833 -8.706
32 HD13 LEU 4 3HD2 LEU 4 8.937 -3.991 -7.422
33 HD21 LEU 4 1HD1 LEU 4 8.839 -1.001 -10.146
34 HD22 LEU 4 2HD1 LEU 4 9.076 -2.569 -10.954
35 HD23 LEU 4 3HD1 LEU 4 10.163 -2.074 -9.635
36 H TRP 5 H TRP 5 3.207 -2.831 -9.393
37 HA TRP 5 HA TRP 5 2.426 -0.337 -8.374
38 HB2 TRP 5 3HB TRP 5 0.495 -0.639 -9.968
39 HB3 TRP 5 2HB TRP 5 1.262 -2.116 -10.518
40 HD1 TRP 5 HD1 TRP 5 2.177 -3.184 -7.558
41 HE1 TRP 5 HE1 TRP 5 0.411 -4.183 -5.871
42 HE3 TRP 5 HE3 TRP 5 -1.882 -0.974 -9.678
43 HZ2 TRP 5 HZ2 TRP 5 -2.421 -3.943 -5.618
44 HZ3 TRP 5 HZ3 TRP 5 -4.111 -1.409 -8.650
45 HH2 TRP 5 HH2 TRP 5 -4.418 -2.835 -6.689
46 H THR 6 H THR 6 4.532 -1.233 -10.928
47 HA THR 6 HA THR 6 3.942 0.656 -12.889
48 HB THR 6 HB THR 6 5.575 -1.397 -12.839
49 HG1 THR 6 HG1 THR 6 5.230 0.463 -14.470
50 HG21 THR 6 1HG2 THR 6 7.819 -1.017 -12.205
51 HG22 THR 6 2HG2 THR 6 6.949 -0.168 -10.905
52 HG23 THR 6 3HG2 THR 6 7.635 0.752 -12.265
53 H ALA 7 H ALA 7 5.614 0.971 -9.759
54 HA ALA 7 HA ALA 7 5.401 3.833 -10.027
55 HB1 ALA 7 1HB ALA 7 7.562 4.302 -10.442
56 HB2 ALA 7 2HB ALA 7 7.795 2.575 -10.806
57 HB3 ALA 7 3HB ALA 7 8.108 3.189 -9.165
58 H CYS 8 H CYS 8 4.280 1.648 -8.476
59 HA CYS 8 HA CYS 8 5.405 1.465 -5.904
60 HB2 CYS 8 2HB CYS 8 4.958 3.813 -5.663
61 HB3 CYS 8 3HB CYS 8 3.320 3.619 -6.279
62 H GLY 9 H GLY 9 2.016 2.203 -6.635
63 HA2 GLY 9 2HA GLY 9 1.376 -0.658 -6.395
64 HA3 GLY 9 3HA GLY 9 0.572 0.493 -5.338
Start of MODEL 29
1 H1 CYS 1 H CYS 1 0.022 -2.634 -2.434
2 HA CYS 1 HA CYS 1 1.443 -2.884 -4.381
3 HB2 CYS 1 2HB CYS 1 3.312 -0.958 -3.001
4 HB3 CYS 1 3HB CYS 1 3.413 -1.564 -4.651
5 H ARG 2 H ARG 2 4.139 -3.483 -4.205
6 HA ARG 2 HA ARG 2 4.119 -5.788 -2.791
7 HB2 ARG 2 3HB ARG 2 6.070 -4.435 -1.139
8 HB3 ARG 2 2HB ARG 2 4.572 -3.532 -1.037
9 HG2 ARG 2 3HG ARG 2 3.330 -5.531 -0.357
10 HG3 ARG 2 2HG ARG 2 4.717 -6.558 -0.663
11 HD2 ARG 2 3HD ARG 2 4.897 -6.275 1.654
12 HD3 ARG 2 2HD ARG 2 5.937 -4.981 1.094
13 HE ARG 2 HE ARG 2 3.239 -4.684 2.277
14 HH11 ARG 2 1HH1 ARG 2 3.578 -1.213 2.402
15 HH12 ARG 2 2HH1 ARG 2 2.626 -2.572 2.898
16 HH21 ARG 2 1HH2 ARG 2 5.477 -1.537 1.107
17 HH22 ARG 2 2HH2 ARG 2 5.941 -3.138 0.636
18 HA PRO 3 HA PRO 3 8.503 -4.526 -4.136
19 HB2 PRO 3 3HB PRO 3 9.361 -2.605 -3.199
20 HB3 PRO 3 2HB PRO 3 9.052 -1.929 -4.786
21 HG2 PRO 3 3HG PRO 3 7.775 -1.119 -2.427
22 HG3 PRO 3 2HG PRO 3 7.199 -0.775 -4.045
23 HD2 PRO 3 3HD PRO 3 6.013 -2.552 -2.070
24 HD3 PRO 3 2HD PRO 3 5.377 -2.118 -3.644
25 H LEU 4 H LEU 4 6.252 -2.371 -5.792
26 HA LEU 4 HA LEU 4 6.381 -4.010 -8.111
27 HB2 LEU 4 3HB LEU 4 8.123 -3.109 -9.114
28 HB3 LEU 4 2HB LEU 4 7.158 -1.660 -9.310
29 HG LEU 4 HG LEU 4 8.175 -1.305 -6.781
30 HD11 LEU 4 1HD2 LEU 4 10.030 -2.461 -6.412
31 HD12 LEU 4 2HD2 LEU 4 10.736 -1.880 -7.939
32 HD13 LEU 4 3HD2 LEU 4 9.749 -3.361 -7.921
33 HD21 LEU 4 1HD1 LEU 4 8.423 0.604 -7.911
34 HD22 LEU 4 2HD1 LEU 4 8.628 -0.235 -9.468
35 HD23 LEU 4 3HD1 LEU 4 10.021 -0.027 -8.379
36 H TRP 5 H TRP 5 4.399 -3.912 -9.037
37 HA TRP 5 HA TRP 5 2.542 -1.978 -8.025
38 HB2 TRP 5 3HB TRP 5 2.181 -4.096 -10.152
39 HB3 TRP 5 2HB TRP 5 1.992 -4.367 -8.431
40 HD1 TRP 5 HD1 TRP 5 -0.106 -3.667 -11.322
41 HE1 TRP 5 HE1 TRP 5 -2.483 -2.682 -10.736
42 HE3 TRP 5 HE3 TRP 5 1.018 -2.407 -6.525
43 HZ2 TRP 5 HZ2 TRP 5 -3.601 -1.513 -8.386
44 HZ3 TRP 5 HZ3 TRP 5 -0.774 -1.348 -5.153
45 HH2 TRP 5 HH2 TRP 5 -3.018 -0.897 -6.010
46 H THR 6 H THR 6 5.032 -1.755 -10.192
47 HA THR 6 HA THR 6 3.522 -0.136 -12.120
48 HB THR 6 HB THR 6 6.382 -1.236 -12.194
49 HG1 THR 6 HG1 THR 6 3.780 -2.006 -13.316
50 HG21 THR 6 1HG2 THR 6 5.640 -0.974 -14.777
51 HG22 THR 6 2HG2 THR 6 6.409 0.372 -13.902
52 HG23 THR 6 3HG2 THR 6 4.641 0.334 -14.099
53 H ALA 7 H ALA 7 3.987 0.731 -9.338
54 HA ALA 7 HA ALA 7 5.211 3.257 -10.030
55 HB1 ALA 7 1HB ALA 7 6.675 1.217 -8.649
56 HB2 ALA 7 2HB ALA 7 6.299 2.508 -7.484
57 HB3 ALA 7 3HB ALA 7 7.166 2.893 -8.990
58 H CYS 8 H CYS 8 2.601 2.029 -9.357
59 HA CYS 8 HA CYS 8 0.721 2.534 -8.181
60 HB2 CYS 8 2HB CYS 8 2.379 3.201 -5.772
61 HB3 CYS 8 3HB CYS 8 0.813 2.403 -5.855
62 H GLY 9 H GLY 9 -0.218 4.340 -8.895
63 HA2 GLY 9 2HA GLY 9 -0.777 6.557 -9.098
64 HA3 GLY 9 3HA GLY 9 -0.068 6.764 -7.504
Start of MODEL 30
1 H1 CYS 1 H CYS 1 6.568 0.273 -6.123
2 HA CYS 1 HA CYS 1 7.887 -0.900 -4.587
3 HB2 CYS 1 2HB CYS 1 8.250 0.688 -2.602
4 HB3 CYS 1 3HB CYS 1 8.559 1.324 -4.214
5 H ARG 2 H ARG 2 5.301 -2.112 -4.460
6 HA ARG 2 HA ARG 2 4.121 -2.032 -2.016
7 HB2 ARG 2 3HB ARG 2 5.491 -4.554 -1.647
8 HB3 ARG 2 2HB ARG 2 6.709 -3.315 -1.872
9 HG2 ARG 2 3HG ARG 2 5.170 -1.949 -0.151
10 HG3 ARG 2 2HG ARG 2 4.623 -3.553 0.299
11 HD2 ARG 2 3HD ARG 2 6.442 -3.385 1.732
12 HD3 ARG 2 2HD ARG 2 7.262 -4.072 0.344
13 HE ARG 2 HE ARG 2 8.337 -2.011 -0.037
14 HH11 ARG 2 1HH1 ARG 2 8.074 0.988 1.729
15 HH12 ARG 2 2HH1 ARG 2 8.970 0.109 0.535
16 HH21 ARG 2 1HH2 ARG 2 6.232 0.011 2.748
17 HH22 ARG 2 2HH2 ARG 2 5.753 -1.596 2.315
18 HA PRO 3 HA PRO 3 3.197 -6.066 -4.359
19 HB2 PRO 3 3HB PRO 3 4.981 -7.469 -4.747
20 HB3 PRO 3 2HB PRO 3 4.828 -6.886 -6.393
21 HG2 PRO 3 3HG PRO 3 7.042 -6.432 -4.735
22 HG3 PRO 3 2HG PRO 3 6.680 -5.527 -6.191
23 HD2 PRO 3 3HD PRO 3 6.567 -4.596 -3.437
24 HD3 PRO 3 2HD PRO 3 6.318 -3.662 -4.898
25 H LEU 4 H LEU 4 3.166 -3.135 -5.194
26 HA LEU 4 HA LEU 4 2.019 -1.948 -6.661
27 HB2 LEU 4 3HB LEU 4 0.379 -3.172 -8.168
28 HB3 LEU 4 2HB LEU 4 0.908 -4.652 -7.392
29 HG LEU 4 HG LEU 4 -0.217 -2.303 -5.851
30 HD11 LEU 4 1HD2 LEU 4 -2.188 -4.213 -5.825
31 HD12 LEU 4 2HD2 LEU 4 -1.599 -4.296 -7.503
32 HD13 LEU 4 3HD2 LEU 4 -2.174 -2.748 -6.836
33 HD21 LEU 4 1HD1 LEU 4 -0.763 -4.567 -4.423
34 HD22 LEU 4 2HD1 LEU 4 0.639 -3.501 -4.161
35 HD23 LEU 4 3HD1 LEU 4 0.811 -4.970 -5.151
36 H TRP 5 H TRP 5 2.810 -0.872 -8.403
37 HA TRP 5 HA TRP 5 3.975 -2.430 -10.566
38 HB2 TRP 5 3HB TRP 5 5.563 -0.215 -9.279
39 HB3 TRP 5 2HB TRP 5 5.755 -1.894 -8.816
40 HD1 TRP 5 HD1 TRP 5 6.775 0.548 -11.527
41 HE1 TRP 5 HE1 TRP 5 8.362 -0.559 -13.322
42 HE3 TRP 5 HE3 TRP 5 6.087 -4.238 -9.953
43 HZ2 TRP 5 HZ2 TRP 5 9.134 -3.252 -13.869
44 HZ3 TRP 5 HZ3 TRP 5 7.294 -6.047 -11.172
45 HH2 TRP 5 HH2 TRP 5 8.775 -5.616 -13.068
46 H THR 6 H THR 6 1.584 -0.590 -9.789
47 HA THR 6 HA THR 6 0.357 0.973 -10.785
48 HB THR 6 HB THR 6 2.298 0.837 -13.138
49 HG1 THR 6 HG1 THR 6 0.986 -1.099 -13.644
50 HG21 THR 6 1HG2 THR 6 0.420 2.363 -13.514
51 HG22 THR 6 2HG2 THR 6 -0.727 1.189 -12.825
52 HG23 THR 6 3HG2 THR 6 0.064 0.851 -14.384
53 H ALA 7 H ALA 7 3.004 1.548 -9.251
54 HA ALA 7 HA ALA 7 2.696 4.307 -9.195
55 HB1 ALA 7 1HB ALA 7 4.316 3.366 -11.392
56 HB2 ALA 7 2HB ALA 7 5.343 4.250 -10.239
57 HB3 ALA 7 3HB ALA 7 3.908 5.038 -10.938
58 H CYS 8 H CYS 8 2.613 3.277 -7.080
59 HA CYS 8 HA CYS 8 4.766 2.010 -5.828
60 HB2 CYS 8 2HB CYS 8 5.391 4.654 -6.322
61 HB3 CYS 8 3HB CYS 8 4.805 4.694 -4.662
62 H GLY 9 H GLY 9 3.863 1.009 -4.159
63 HA2 GLY 9 2HA GLY 9 1.413 2.142 -3.005
64 HA3 GLY 9 3HA GLY 9 1.927 0.466 -2.885
Start of MODEL 31
1 H1 CYS 1 H CYS 1 2.009 1.057 -0.620
2 HA CYS 1 HA CYS 1 2.528 0.280 -2.861
3 HB2 CYS 1 2HB CYS 1 4.716 2.293 -2.475
4 HB3 CYS 1 3HB CYS 1 4.944 0.964 -3.607
5 H ARG 2 H ARG 2 4.310 -1.378 -3.495
6 HA ARG 2 HA ARG 2 4.642 -3.085 -1.409
7 HB2 ARG 2 3HB ARG 2 7.435 -2.216 -1.952
8 HB3 ARG 2 2HB ARG 2 6.487 -1.017 -1.096
9 HG2 ARG 2 3HG ARG 2 6.328 -3.876 -0.147
10 HG3 ARG 2 2HG ARG 2 7.791 -2.978 0.205
11 HD2 ARG 2 3HD ARG 2 4.948 -2.146 0.961
12 HD3 ARG 2 2HD ARG 2 6.176 -2.738 2.062
13 HE ARG 2 HE ARG 2 6.030 -0.051 0.881
14 HH11 ARG 2 1HH1 ARG 2 8.896 1.013 2.565
15 HH12 ARG 2 2HH1 ARG 2 7.523 1.508 1.632
16 HH21 ARG 2 1HH2 ARG 2 9.219 -1.233 3.051
17 HH22 ARG 2 2HH2 ARG 2 8.088 -2.414 2.482
18 HA PRO 3 HA PRO 3 7.223 -4.289 -5.221
19 HB2 PRO 3 3HB PRO 3 8.865 -2.811 -5.871
20 HB3 PRO 3 2HB PRO 3 7.743 -2.440 -7.165
21 HG2 PRO 3 3HG PRO 3 8.536 -0.638 -5.171
22 HG3 PRO 3 2HG PRO 3 7.129 -0.440 -6.197
23 HD2 PRO 3 3HD PRO 3 7.192 -0.998 -3.341
24 HD3 PRO 3 2HD PRO 3 5.790 -0.685 -4.345
25 H LEU 4 H LEU 4 6.937 -4.168 -7.932
26 HA LEU 4 HA LEU 4 4.019 -4.432 -8.099
27 HB2 LEU 4 3HB LEU 4 4.697 -5.879 -10.136
28 HB3 LEU 4 2HB LEU 4 6.288 -5.907 -9.402
29 HG LEU 4 HG LEU 4 3.777 -6.794 -7.961
30 HD11 LEU 4 1HD2 LEU 4 3.925 -8.285 -9.776
31 HD12 LEU 4 2HD2 LEU 4 4.697 -9.127 -8.411
32 HD13 LEU 4 3HD2 LEU 4 5.700 -8.372 -9.673
33 HD21 LEU 4 1HD1 LEU 4 6.726 -7.117 -7.355
34 HD22 LEU 4 2HD1 LEU 4 5.424 -7.980 -6.502
35 HD23 LEU 4 3HD1 LEU 4 5.514 -6.204 -6.424
36 H TRP 5 H TRP 5 4.548 -1.880 -8.234
37 HA TRP 5 HA TRP 5 5.371 -1.091 -10.880
38 HB2 TRP 5 3HB TRP 5 4.260 1.105 -9.565
39 HB3 TRP 5 2HB TRP 5 4.995 0.160 -8.286
40 HD1 TRP 5 HD1 TRP 5 7.750 -0.471 -8.790
41 HE1 TRP 5 HE1 TRP 5 9.680 1.005 -9.820
42 HE3 TRP 5 HE3 TRP 5 4.683 2.855 -11.112
43 HZ2 TRP 5 HZ2 TRP 5 9.707 3.345 -11.453
44 HZ3 TRP 5 HZ3 TRP 5 5.742 4.705 -12.403
45 HH2 TRP 5 HH2 TRP 5 8.163 4.980 -12.595
46 H THR 6 H THR 6 2.920 -2.881 -10.255
47 HA THR 6 HA THR 6 0.735 -3.017 -10.754
48 HB THR 6 HB THR 6 0.351 -2.566 -13.133
49 HG1 THR 6 HG1 THR 6 2.160 -1.136 -14.092
50 HG21 THR 6 1HG2 THR 6 3.321 -2.787 -13.324
51 HG22 THR 6 2HG2 THR 6 2.064 -3.854 -13.995
52 HG23 THR 6 3HG2 THR 6 2.553 -4.017 -12.291
53 H ALA 7 H ALA 7 1.379 -0.805 -8.968
54 HA ALA 7 HA ALA 7 -1.080 0.426 -8.887
55 HB1 ALA 7 1HB ALA 7 -0.782 1.724 -10.792
56 HB2 ALA 7 2HB ALA 7 0.976 1.863 -10.553
57 HB3 ALA 7 3HB ALA 7 -0.138 2.811 -9.538
58 H CYS 8 H CYS 8 -0.904 0.130 -6.754
59 HA CYS 8 HA CYS 8 1.389 0.647 -5.189
60 HB2 CYS 8 2HB CYS 8 0.416 2.998 -5.910
61 HB3 CYS 8 3HB CYS 8 -0.719 2.682 -4.601
62 H GLY 9 H GLY 9 -2.111 1.211 -4.745
63 HA2 GLY 9 2HA GLY 9 -3.639 -0.145 -3.608
64 HA3 GLY 9 3HA GLY 9 -2.314 -1.192 -3.123
Start of MODEL 32
1 H1 CYS 1 H CYS 1 -1.113 -0.815 -1.133
2 HA CYS 1 HA CYS 1 -0.443 -2.978 -2.107
3 HB2 CYS 1 2HB CYS 1 0.291 -2.113 -4.387
4 HB3 CYS 1 3HB CYS 1 -1.230 -1.479 -3.765
5 H ARG 2 H ARG 2 1.562 -3.438 -3.991
6 HA ARG 2 HA ARG 2 3.657 -4.104 -2.289
7 HB2 ARG 2 3HB ARG 2 5.121 -2.523 -4.178
8 HB3 ARG 2 2HB ARG 2 3.854 -1.483 -3.558
9 HG2 ARG 2 3HG ARG 2 4.905 -2.914 -1.308
10 HG3 ARG 2 2HG ARG 2 6.285 -2.365 -2.238
11 HD2 ARG 2 3HD ARG 2 5.993 -0.249 -1.468
12 HD3 ARG 2 2HD ARG 2 4.384 -0.198 -2.160
13 HE ARG 2 HE ARG 2 4.582 -1.668 0.389
14 HH11 ARG 2 1HH1 ARG 2 2.742 0.767 2.081
15 HH12 ARG 2 2HH1 ARG 2 3.411 -0.828 2.163
16 HH21 ARG 2 1HH2 ARG 2 3.034 2.052 0.170
17 HH22 ARG 2 2HH2 ARG 2 3.922 1.415 -1.174
18 HA PRO 3 HA PRO 3 4.611 -6.607 -5.744
19 HB2 PRO 3 3HB PRO 3 6.364 -7.682 -4.708
20 HB3 PRO 3 2HB PRO 3 7.336 -6.787 -5.859
21 HG2 PRO 3 3HG PRO 3 7.427 -6.441 -3.080
22 HG3 PRO 3 2HG PRO 3 8.051 -5.298 -4.251
23 HD2 PRO 3 3HD PRO 3 5.741 -4.986 -2.509
24 HD3 PRO 3 2HD PRO 3 6.435 -3.800 -3.597
25 H LEU 4 H LEU 4 3.797 -5.879 -7.627
26 HA LEU 4 HA LEU 4 3.991 -5.142 -9.718
27 HB2 LEU 4 3HB LEU 4 6.598 -3.884 -9.685
28 HB3 LEU 4 2HB LEU 4 6.675 -5.498 -9.007
29 HG LEU 4 HG LEU 4 5.592 -4.767 -11.742
30 HD11 LEU 4 1HD2 LEU 4 7.636 -5.048 -12.565
31 HD12 LEU 4 2HD2 LEU 4 7.845 -6.588 -11.697
32 HD13 LEU 4 3HD2 LEU 4 8.240 -5.051 -10.890
33 HD21 LEU 4 1HD1 LEU 4 6.093 -7.554 -11.500
34 HD22 LEU 4 2HD1 LEU 4 4.546 -6.720 -11.783
35 HD23 LEU 4 3HD1 LEU 4 5.081 -7.063 -10.120
36 H TRP 5 H TRP 5 5.670 -2.944 -7.366
37 HA TRP 5 HA TRP 5 5.634 -0.606 -7.644
38 HB2 TRP 5 3HB TRP 5 3.027 -0.558 -6.432
39 HB3 TRP 5 2HB TRP 5 3.925 -1.938 -5.831
40 HD1 TRP 5 HD1 TRP 5 3.285 1.237 -4.540
41 HE1 TRP 5 HE1 TRP 5 5.225 2.390 -3.172
42 HE3 TRP 5 HE3 TRP 5 7.021 -1.692 -6.361
43 HZ2 TRP 5 HZ2 TRP 5 8.041 1.956 -3.008
44 HZ3 TRP 5 HZ3 TRP 5 9.337 -1.262 -5.546
45 HH2 TRP 5 HH2 TRP 5 9.875 0.489 -3.927
46 H THR 6 H THR 6 5.429 -0.608 -10.098
47 HA THR 6 HA THR 6 2.742 -0.295 -11.122
48 HB THR 6 HB THR 6 5.493 -0.011 -12.444
49 HG1 THR 6 HG1 THR 6 4.746 -2.287 -13.078
50 HG21 THR 6 1HG2 THR 6 4.286 0.462 -14.326
51 HG22 THR 6 2HG2 THR 6 2.760 0.314 -13.423
52 HG23 THR 6 3HG2 THR 6 3.501 -1.127 -14.159
53 H ALA 7 H ALA 7 3.818 1.597 -9.027
54 HA ALA 7 HA ALA 7 3.328 4.025 -10.602
55 HB1 ALA 7 1HB ALA 7 5.608 4.273 -10.204
56 HB2 ALA 7 2HB ALA 7 5.541 3.395 -8.657
57 HB3 ALA 7 3HB ALA 7 4.919 5.060 -8.763
58 H CYS 8 H CYS 8 1.901 2.009 -8.756
59 HA CYS 8 HA CYS 8 -0.019 3.655 -7.683
60 HB2 CYS 8 2HB CYS 8 -0.955 1.759 -6.846
61 HB3 CYS 8 3HB CYS 8 0.266 0.983 -7.850
62 H GLY 9 H GLY 9 3.109 2.865 -6.396
63 HA2 GLY 9 2HA GLY 9 4.265 3.710 -4.600
64 HA3 GLY 9 3HA GLY 9 3.050 4.977 -4.523
Start of MODEL 33
1 H1 CYS 1 H CYS 1 3.781 3.595 -2.068
2 HA CYS 1 HA CYS 1 4.685 1.698 -4.116
3 HB2 CYS 1 2HB CYS 1 5.900 2.093 -1.384
4 HB3 CYS 1 3HB CYS 1 6.633 1.347 -2.801
5 H ARG 2 H ARG 2 4.078 -0.447 -4.080
6 HA ARG 2 HA ARG 2 2.103 -1.299 -2.447
7 HB2 ARG 2 3HB ARG 2 4.205 -2.976 -1.343
8 HB3 ARG 2 2HB ARG 2 4.607 -1.299 -1.028
9 HG2 ARG 2 3HG ARG 2 1.875 -1.378 -0.449
10 HG3 ARG 2 2HG ARG 2 2.419 -2.953 0.093
11 HD2 ARG 2 3HD ARG 2 3.334 -0.217 1.037
12 HD3 ARG 2 2HD ARG 2 2.730 -1.554 1.996
13 HE ARG 2 HE ARG 2 5.474 -1.126 1.208
14 HH11 ARG 2 1HH1 ARG 2 6.569 -4.313 2.115
15 HH12 ARG 2 2HH1 ARG 2 7.052 -2.698 1.716
16 HH21 ARG 2 1HH2 ARG 2 4.318 -4.880 2.133
17 HH22 ARG 2 2HH2 ARG 2 3.122 -3.688 1.748
18 HA PRO 3 HA PRO 3 4.280 -4.879 -4.703
19 HB2 PRO 3 3HB PRO 3 6.495 -5.236 -4.185
20 HB3 PRO 3 2HB PRO 3 6.775 -4.520 -5.759
21 HG2 PRO 3 3HG PRO 3 7.592 -3.399 -3.324
22 HG3 PRO 3 2HG PRO 3 7.478 -2.526 -4.839
23 HD2 PRO 3 3HD PRO 3 5.810 -2.221 -2.474
24 HD3 PRO 3 2HD PRO 3 5.772 -1.271 -3.946
25 H LEU 4 H LEU 4 5.236 -5.405 -7.111
26 HA LEU 4 HA LEU 4 4.946 -5.059 -9.276
27 HB2 LEU 4 3HB LEU 4 4.142 -2.270 -9.303
28 HB3 LEU 4 2HB LEU 4 5.560 -2.516 -8.304
29 HG LEU 4 HG LEU 4 5.283 -3.360 -11.203
30 HD11 LEU 4 1HD2 LEU 4 7.122 -1.208 -10.184
31 HD12 LEU 4 2HD2 LEU 4 5.428 -0.847 -10.593
32 HD13 LEU 4 3HD2 LEU 4 6.523 -1.501 -11.834
33 HD21 LEU 4 1HD1 LEU 4 7.838 -3.607 -10.934
34 HD22 LEU 4 2HD1 LEU 4 6.784 -4.893 -10.299
35 HD23 LEU 4 3HD1 LEU 4 7.497 -3.697 -9.190
36 H TRP 5 H TRP 5 2.599 -2.524 -8.247
37 HA TRP 5 HA TRP 5 0.359 -4.106 -8.030
38 HB2 TRP 5 3HB TRP 5 0.426 -4.934 -10.180
39 HB3 TRP 5 2HB TRP 5 -0.687 -3.586 -10.304
40 HD1 TRP 5 HD1 TRP 5 0.702 -1.160 -11.202
41 HE1 TRP 5 HE1 TRP 5 2.386 -0.876 -13.214
42 HE3 TRP 5 HE3 TRP 5 2.010 -6.065 -11.486
43 HZ2 TRP 5 HZ2 TRP 5 4.040 -2.693 -14.665
44 HZ3 TRP 5 HZ3 TRP 5 3.665 -6.727 -13.229
45 HH2 TRP 5 HH2 TRP 5 4.671 -5.132 -14.785
46 H THR 6 H THR 6 1.915 -1.118 -9.259
47 HA THR 6 HA THR 6 -0.390 0.447 -8.355
48 HB THR 6 HB THR 6 1.350 2.221 -9.505
49 HG1 THR 6 HG1 THR 6 2.946 0.666 -10.031
50 HG21 THR 6 1HG2 THR 6 -0.880 0.545 -10.495
51 HG22 THR 6 2HG2 THR 6 0.277 0.974 -11.778
52 HG23 THR 6 3HG2 THR 6 -0.522 2.255 -10.835
53 H ALA 7 H ALA 7 3.063 1.404 -8.318
54 HA ALA 7 HA ALA 7 3.102 1.302 -5.433
55 HB1 ALA 7 1HB ALA 7 3.594 3.739 -5.241
56 HB2 ALA 7 2HB ALA 7 1.941 3.419 -5.820
57 HB3 ALA 7 3HB ALA 7 3.202 3.930 -6.967
58 H CYS 8 H CYS 8 5.112 3.681 -6.505
59 HA CYS 8 HA CYS 8 7.147 3.026 -7.961
60 HB2 CYS 8 2HB CYS 8 8.665 3.531 -5.771
61 HB3 CYS 8 3HB CYS 8 7.835 4.776 -6.699
62 H GLY 9 H GLY 9 7.503 1.823 -4.633
63 HA2 GLY 9 2HA GLY 9 7.657 -0.581 -4.202
64 HA3 GLY 9 3HA GLY 9 8.442 -0.738 -5.766
Start of MODEL 34
1 H1 CYS 1 H CYS 1 0.770 1.029 -0.908
2 HA CYS 1 HA CYS 1 1.171 -0.845 -2.302
3 HB2 CYS 1 2HB CYS 1 2.863 1.425 -2.503
4 HB3 CYS 1 3HB CYS 1 3.849 0.008 -2.846
5 H ARG 2 H ARG 2 3.750 -1.925 -3.067
6 HA ARG 2 HA ARG 2 3.863 -3.992 -1.243
7 HB2 ARG 2 3HB ARG 2 6.563 -3.004 -0.964
8 HB3 ARG 2 2HB ARG 2 5.481 -1.704 -0.505
9 HG2 ARG 2 3HG ARG 2 4.290 -3.246 1.065
10 HG3 ARG 2 2HG ARG 2 5.364 -4.551 0.602
11 HD2 ARG 2 3HD ARG 2 6.634 -3.853 2.377
12 HD3 ARG 2 2HD ARG 2 7.205 -2.614 1.277
13 HE ARG 2 HE ARG 2 5.241 -2.258 3.462
14 HH11 ARG 2 1HH1 ARG 2 5.223 1.202 3.009
15 HH12 ARG 2 2HH1 ARG 2 4.723 -0.106 4.029
16 HH21 ARG 2 1HH2 ARG 2 6.418 0.768 1.067
17 HH22 ARG 2 2HH2 ARG 2 6.811 -0.864 0.638
18 HA PRO 3 HA PRO 3 7.281 -4.265 -4.527
19 HB2 PRO 3 3HB PRO 3 8.895 -2.624 -4.469
20 HB3 PRO 3 2HB PRO 3 8.076 -2.043 -5.906
21 HG2 PRO 3 3HG PRO 3 8.227 -0.651 -3.478
22 HG3 PRO 3 2HG PRO 3 7.085 -0.305 -4.761
23 HD2 PRO 3 3HD PRO 3 6.531 -1.424 -2.132
24 HD3 PRO 3 2HD PRO 3 5.379 -0.970 -3.371
25 H LEU 4 H LEU 4 7.609 -3.418 -7.169
26 HA LEU 4 HA LEU 4 5.175 -4.464 -8.204
27 HB2 LEU 4 3HB LEU 4 6.704 -3.394 -10.295
28 HB3 LEU 4 2HB LEU 4 7.872 -3.935 -9.105
29 HG LEU 4 HG LEU 4 5.743 -5.592 -10.475
30 HD11 LEU 4 1HD2 LEU 4 8.519 -5.035 -11.013
31 HD12 LEU 4 2HD2 LEU 4 7.342 -5.971 -11.965
32 HD13 LEU 4 3HD2 LEU 4 8.289 -6.770 -10.686
33 HD21 LEU 4 1HD1 LEU 4 6.732 -7.518 -9.186
34 HD22 LEU 4 2HD1 LEU 4 5.751 -6.378 -8.234
35 HD23 LEU 4 3HD1 LEU 4 7.528 -6.315 -8.143
36 H TRP 5 H TRP 5 6.542 -1.250 -7.618
37 HA TRP 5 HA TRP 5 5.808 0.798 -8.086
38 HB2 TRP 5 3HB TRP 5 3.081 -0.438 -7.680
39 HB3 TRP 5 2HB TRP 5 4.191 -0.055 -6.379
40 HD1 TRP 5 HD1 TRP 5 1.669 1.597 -8.689
41 HE1 TRP 5 HE1 TRP 5 1.339 4.154 -8.130
42 HE3 TRP 5 HE3 TRP 5 5.606 1.946 -5.490
43 HZ2 TRP 5 HZ2 TRP 5 2.730 5.996 -6.451
44 HZ3 TRP 5 HZ3 TRP 5 6.051 4.160 -4.434
45 HH2 TRP 5 HH2 TRP 5 4.688 6.142 -4.869
46 H THR 6 H THR 6 6.195 -1.123 -10.362
47 HA THR 6 HA THR 6 5.625 -1.421 -12.517
48 HB THR 6 HB THR 6 5.750 0.723 -13.748
49 HG1 THR 6 HG1 THR 6 5.619 2.651 -12.174
50 HG21 THR 6 1HG2 THR 6 7.297 1.561 -11.340
51 HG22 THR 6 2HG2 THR 6 7.855 1.327 -13.014
52 HG23 THR 6 3HG2 THR 6 7.682 -0.074 -11.928
53 H ALA 7 H ALA 7 3.376 -1.733 -10.638
54 HA ALA 7 HA ALA 7 1.350 -2.111 -12.435
55 HB1 ALA 7 1HB ALA 7 0.896 0.108 -12.898
56 HB2 ALA 7 2HB ALA 7 1.439 0.666 -11.297
57 HB3 ALA 7 3HB ALA 7 -0.146 -0.123 -11.474
58 H CYS 8 H CYS 8 1.126 -0.414 -9.333
59 HA CYS 8 HA CYS 8 0.990 -2.679 -7.677
60 HB2 CYS 8 2HB CYS 8 0.831 0.140 -7.366
61 HB3 CYS 8 3HB CYS 8 -0.571 -0.556 -6.561
62 H GLY 9 H GLY 9 -1.488 -0.894 -9.428
63 HA2 GLY 9 2HA GLY 9 -3.436 -2.075 -10.226
64 HA3 GLY 9 3HA GLY 9 -3.380 -3.056 -8.769
Start of MODEL 35
1 H1 CYS 1 H CYS 1 4.641 1.276 -1.325
2 HA CYS 1 HA CYS 1 3.325 0.181 -3.613
3 HB2 CYS 1 2HB CYS 1 6.318 0.593 -3.778
4 HB3 CYS 1 3HB CYS 1 5.349 -0.333 -4.919
5 H ARG 2 H ARG 2 4.873 -2.071 -4.179
6 HA ARG 2 HA ARG 2 4.247 -3.695 -2.104
7 HB2 ARG 2 3HB ARG 2 7.114 -3.940 -1.835
8 HB3 ARG 2 2HB ARG 2 6.703 -2.257 -1.573
9 HG2 ARG 2 3HG ARG 2 4.723 -3.436 -0.100
10 HG3 ARG 2 2HG ARG 2 5.959 -4.669 0.042
11 HD2 ARG 2 3HD ARG 2 6.780 -3.393 1.753
12 HD3 ARG 2 2HD ARG 2 7.446 -2.375 0.492
13 HE ARG 2 HE ARG 2 4.665 -1.723 1.143
14 HH11 ARG 2 1HH1 ARG 2 5.549 1.208 2.819
15 HH12 ARG 2 2HH1 ARG 2 4.248 0.296 2.130
16 HH21 ARG 2 1HH2 ARG 2 7.715 0.379 2.741
17 HH22 ARG 2 2HH2 ARG 2 8.031 -1.151 1.993
18 HA PRO 3 HA PRO 3 7.163 -5.783 -5.228
19 HB2 PRO 3 3HB PRO 3 9.285 -4.908 -5.406
20 HB3 PRO 3 2HB PRO 3 8.682 -4.270 -6.923
21 HG2 PRO 3 3HG PRO 3 9.480 -2.710 -4.736
22 HG3 PRO 3 2HG PRO 3 8.496 -2.137 -6.069
23 HD2 PRO 3 3HD PRO 3 7.687 -2.559 -3.305
24 HD3 PRO 3 2HD PRO 3 6.738 -1.878 -4.611
25 H LEU 4 H LEU 4 4.767 -3.763 -5.652
26 HA LEU 4 HA LEU 4 3.145 -3.616 -7.142
27 HB2 LEU 4 3HB LEU 4 3.082 -5.373 -8.997
28 HB3 LEU 4 2HB LEU 4 4.514 -6.057 -8.254
29 HG LEU 4 HG LEU 4 1.961 -5.619 -6.698
30 HD11 LEU 4 1HD2 LEU 4 0.998 -7.112 -8.067
31 HD12 LEU 4 2HD2 LEU 4 1.986 -8.302 -7.186
32 HD13 LEU 4 3HD2 LEU 4 2.553 -7.653 -8.744
33 HD21 LEU 4 1HD1 LEU 4 3.379 -7.862 -5.778
34 HD22 LEU 4 2HD1 LEU 4 3.222 -6.272 -4.994
35 HD23 LEU 4 3HD1 LEU 4 4.601 -6.601 -6.071
36 H TRP 5 H TRP 5 2.879 -2.007 -8.604
37 HA TRP 5 HA TRP 5 4.854 -1.754 -10.732
38 HB2 TRP 5 3HB TRP 5 4.174 0.806 -9.457
39 HB3 TRP 5 2HB TRP 5 5.150 -0.255 -8.460
40 HD1 TRP 5 HD1 TRP 5 5.308 1.312 -12.033
41 HE1 TRP 5 HE1 TRP 5 7.814 1.707 -12.760
42 HE3 TRP 5 HE3 TRP 5 7.392 -0.850 -7.929
43 HZ2 TRP 5 HZ2 TRP 5 10.330 1.085 -11.565
44 HZ3 TRP 5 HZ3 TRP 5 9.880 -0.914 -7.787
45 HH2 TRP 5 HH2 TRP 5 11.337 0.008 -9.520
46 H THR 6 H THR 6 1.881 -2.511 -10.105
47 HA THR 6 HA THR 6 -0.116 -2.228 -11.041
48 HB THR 6 HB THR 6 1.335 -0.729 -13.273
49 HG1 THR 6 HG1 THR 6 2.101 -2.812 -13.855
50 HG21 THR 6 1HG2 THR 6 -0.419 -2.925 -14.033
51 HG22 THR 6 2HG2 THR 6 -0.546 -1.206 -14.477
52 HG23 THR 6 3HG2 THR 6 -1.309 -1.798 -12.981
53 H ALA 7 H ALA 7 1.124 -0.095 -9.237
54 HA ALA 7 HA ALA 7 -0.978 1.853 -9.764
55 HB1 ALA 7 1HB ALA 7 1.971 2.514 -9.397
56 HB2 ALA 7 2HB ALA 7 0.652 3.707 -9.326
57 HB3 ALA 7 3HB ALA 7 0.976 2.826 -10.839
58 H CYS 8 H CYS 8 1.314 2.918 -7.594
59 HA CYS 8 HA CYS 8 -0.182 1.798 -5.316
60 HB2 CYS 8 2HB CYS 8 2.219 2.347 -4.194
61 HB3 CYS 8 3HB CYS 8 1.781 0.768 -4.837
62 H GLY 9 H GLY 9 2.369 4.262 -5.606
63 HA2 GLY 9 2HA GLY 9 1.611 6.646 -5.634
64 HA3 GLY 9 3HA GLY 9 0.493 6.178 -4.361
Start of MODEL 36
1 H1 CYS 1 H CYS 1 0.488 -0.838 -0.725
2 HA CYS 1 HA CYS 1 1.803 -1.328 -3.303
3 HB2 CYS 1 2HB CYS 1 1.832 0.859 -1.373
4 HB3 CYS 1 3HB CYS 1 3.453 0.352 -1.835
5 H ARG 2 H ARG 2 3.859 -2.358 -3.476
6 HA ARG 2 HA ARG 2 4.321 -4.357 -1.700
7 HB2 ARG 2 3HB ARG 2 6.719 -2.830 -1.137
8 HB3 ARG 2 2HB ARG 2 5.336 -1.846 -0.700
9 HG2 ARG 2 3HG ARG 2 4.452 -3.604 0.755
10 HG3 ARG 2 2HG ARG 2 5.650 -4.750 0.186
11 HD2 ARG 2 3HD ARG 2 6.642 -4.050 2.188
12 HD3 ARG 2 2HD ARG 2 7.399 -2.950 1.054
13 HE ARG 2 HE ARG 2 5.302 -2.271 3.029
14 HH11 ARG 2 1HH1 ARG 2 5.624 1.134 2.336
15 HH12 ARG 2 2HH1 ARG 2 4.929 -0.047 3.396
16 HH21 ARG 2 1HH2 ARG 2 6.935 0.457 0.545
17 HH22 ARG 2 2HH2 ARG 2 7.218 -1.230 0.267
18 HA PRO 3 HA PRO 3 7.957 -3.686 -4.693
19 HB2 PRO 3 3HB PRO 3 9.073 -1.678 -4.533
20 HB3 PRO 3 2HB PRO 3 8.226 -1.313 -6.023
21 HG2 PRO 3 3HG PRO 3 7.844 0.035 -3.596
22 HG3 PRO 3 2HG PRO 3 6.738 0.086 -4.955
23 HD2 PRO 3 3HD PRO 3 6.327 -1.177 -2.365
24 HD3 PRO 3 2HD PRO 3 5.180 -1.026 -3.681
25 H LEU 4 H LEU 4 8.281 -2.912 -7.295
26 HA LEU 4 HA LEU 4 5.828 -4.069 -8.397
27 HB2 LEU 4 3HB LEU 4 7.362 -4.464 -10.395
28 HB3 LEU 4 2HB LEU 4 8.688 -4.019 -9.340
29 HG LEU 4 HG LEU 4 6.759 -6.246 -8.662
30 HD11 LEU 4 1HD2 LEU 4 8.736 -6.204 -10.755
31 HD12 LEU 4 2HD2 LEU 4 7.618 -7.503 -10.274
32 HD13 LEU 4 3HD2 LEU 4 9.209 -7.364 -9.490
33 HD21 LEU 4 1HD1 LEU 4 9.071 -6.916 -7.475
34 HD22 LEU 4 2HD1 LEU 4 7.833 -5.897 -6.700
35 HD23 LEU 4 3HD1 LEU 4 9.249 -5.145 -7.475
36 H TRP 5 H TRP 5 4.832 -1.863 -8.046
37 HA TRP 5 HA TRP 5 5.826 0.224 -9.767
38 HB2 TRP 5 3HB TRP 5 3.168 0.387 -8.438
39 HB3 TRP 5 2HB TRP 5 4.582 0.301 -7.406
40 HD1 TRP 5 HD1 TRP 5 3.247 2.544 -10.308
41 HE1 TRP 5 HE1 TRP 5 4.130 5.017 -10.050
42 HE3 TRP 5 HE3 TRP 5 6.222 1.620 -6.289
43 HZ2 TRP 5 HZ2 TRP 5 5.932 6.282 -8.234
44 HZ3 TRP 5 HZ3 TRP 5 7.509 3.529 -5.334
45 HH2 TRP 5 HH2 TRP 5 7.399 5.796 -6.241
46 H THR 6 H THR 6 4.507 -2.650 -10.464
47 HA THR 6 HA THR 6 3.239 -3.490 -12.089
48 HB THR 6 HB THR 6 3.588 -0.784 -13.468
49 HG1 THR 6 HG1 THR 6 5.573 -1.686 -12.417
50 HG21 THR 6 1HG2 THR 6 4.193 -3.280 -14.917
51 HG22 THR 6 2HG2 THR 6 3.135 -1.933 -15.399
52 HG23 THR 6 3HG2 THR 6 2.504 -3.232 -14.358
53 H ALA 7 H ALA 7 2.002 -1.860 -9.836
54 HA ALA 7 HA ALA 7 -0.654 -2.103 -10.772
55 HB1 ALA 7 1HB ALA 7 0.582 0.657 -10.581
56 HB2 ALA 7 2HB ALA 7 -1.162 0.399 -10.341
57 HB3 ALA 7 3HB ALA 7 -0.404 -0.035 -11.891
58 H CYS 8 H CYS 8 -0.136 0.494 -8.640
59 HA CYS 8 HA CYS 8 -0.144 -1.226 -6.266
60 HB2 CYS 8 2HB CYS 8 1.542 0.512 -6.246
61 HB3 CYS 8 3HB CYS 8 0.330 1.744 -6.582
62 H GLY 9 H GLY 9 -1.995 1.313 -7.874
63 HA2 GLY 9 2HA GLY 9 -4.335 1.506 -7.821
64 HA3 GLY 9 3HA GLY 9 -4.369 0.444 -6.421
Start of MODEL 37
1 H1 CYS 1 H CYS 1 0.439 -5.581 -3.102
2 HA CYS 1 HA CYS 1 1.532 -3.866 -4.433
3 HB2 CYS 1 2HB CYS 1 0.620 -2.313 -2.195
4 HB3 CYS 1 3HB CYS 1 2.346 -2.053 -2.419
5 H ARG 2 H ARG 2 3.942 -2.731 -3.709
6 HA ARG 2 HA ARG 2 5.343 -5.098 -2.940
7 HB2 ARG 2 3HB ARG 2 6.122 -4.424 -0.891
8 HB3 ARG 2 2HB ARG 2 6.441 -2.795 -1.454
9 HG2 ARG 2 3HG ARG 2 4.112 -2.141 -1.133
10 HG3 ARG 2 2HG ARG 2 3.627 -3.799 -0.835
11 HD2 ARG 2 3HD ARG 2 5.727 -3.242 1.029
12 HD3 ARG 2 2HD ARG 2 4.675 -1.840 1.049
13 HE ARG 2 HE ARG 2 3.329 -4.476 1.187
14 HH11 ARG 2 1HH1 ARG 2 2.136 -3.790 4.394
15 HH12 ARG 2 2HH1 ARG 2 2.051 -4.867 3.040
16 HH21 ARG 2 1HH2 ARG 2 3.549 -1.950 4.325
17 HH22 ARG 2 2HH2 ARG 2 4.518 -1.654 2.920
18 HA PRO 3 HA PRO 3 8.201 -1.745 -4.707
19 HB2 PRO 3 3HB PRO 3 8.233 0.269 -3.592
20 HB3 PRO 3 2HB PRO 3 7.330 0.831 -4.985
21 HG2 PRO 3 3HG PRO 3 6.331 0.723 -2.368
22 HG3 PRO 3 2HG PRO 3 5.346 0.868 -3.811
23 HD2 PRO 3 3HD PRO 3 5.555 -1.412 -2.013
24 HD3 PRO 3 2HD PRO 3 4.486 -1.222 -3.389
25 H LEU 4 H LEU 4 6.682 -3.434 -6.091
26 HA LEU 4 HA LEU 4 5.976 -3.886 -8.132
27 HB2 LEU 4 3HB LEU 4 7.286 -3.158 -9.778
28 HB3 LEU 4 2HB LEU 4 6.924 -1.471 -9.472
29 HG LEU 4 HG LEU 4 8.576 -1.430 -7.648
30 HD11 LEU 4 1HD2 LEU 4 8.366 -4.267 -7.832
31 HD12 LEU 4 2HD2 LEU 4 9.273 -3.285 -6.657
32 HD13 LEU 4 3HD2 LEU 4 10.052 -3.808 -8.170
33 HD21 LEU 4 1HD1 LEU 4 9.214 -0.833 -9.959
34 HD22 LEU 4 2HD1 LEU 4 9.745 -2.510 -10.226
35 HD23 LEU 4 3HD1 LEU 4 10.569 -1.498 -9.016
36 H TRP 5 H TRP 5 3.874 -3.864 -8.703
37 HA TRP 5 HA TRP 5 2.215 -1.698 -7.963
38 HB2 TRP 5 3HB TRP 5 1.746 -4.181 -9.614
39 HB3 TRP 5 2HB TRP 5 1.373 -3.936 -7.920
40 HD1 TRP 5 HD1 TRP 5 -0.497 -4.192 -10.940
41 HE1 TRP 5 HE1 TRP 5 -2.778 -2.867 -10.994
42 HE3 TRP 5 HE3 TRP 5 0.567 -1.159 -7.000
43 HZ2 TRP 5 HZ2 TRP 5 -3.858 -0.747 -9.419
44 HZ3 TRP 5 HZ3 TRP 5 -1.156 0.511 -6.322
45 HH2 TRP 5 HH2 TRP 5 -3.305 0.745 -7.462
46 H THR 6 H THR 6 4.499 -2.013 -10.402
47 HA THR 6 HA THR 6 3.293 -1.179 -12.723
48 HB THR 6 HB THR 6 6.011 -0.318 -11.603
49 HG1 THR 6 HG1 THR 6 5.070 -2.658 -13.108
50 HG21 THR 6 1HG2 THR 6 6.359 -1.032 -14.233
51 HG22 THR 6 2HG2 THR 6 6.079 0.647 -13.712
52 HG23 THR 6 3HG2 THR 6 4.722 -0.338 -14.309
53 H ALA 7 H ALA 7 4.197 0.767 -9.847
54 HA ALA 7 HA ALA 7 2.283 2.736 -10.582
55 HB1 ALA 7 1HB ALA 7 4.809 4.161 -10.357
56 HB2 ALA 7 2HB ALA 7 3.565 4.261 -11.626
57 HB3 ALA 7 3HB ALA 7 4.844 3.028 -11.729
58 H CYS 8 H CYS 8 2.954 0.902 -8.461
59 HA CYS 8 HA CYS 8 2.378 2.382 -6.218
60 HB2 CYS 8 2HB CYS 8 2.502 -0.223 -6.645
61 HB3 CYS 8 3HB CYS 8 4.091 -0.048 -5.906
62 H GLY 9 H GLY 9 5.488 1.782 -7.689
63 HA2 GLY 9 2HA GLY 9 6.967 2.823 -5.423
64 HA3 GLY 9 3HA GLY 9 7.638 2.312 -6.965
Start of MODEL 38
1 H1 CYS 1 H CYS 1 4.404 -0.361 1.613
2 HA CYS 1 HA CYS 1 3.217 -0.622 -0.319
3 HB2 CYS 1 2HB CYS 1 4.740 1.541 -0.591
4 HB3 CYS 1 3HB CYS 1 5.454 0.580 -1.882
5 H ARG 2 H ARG 2 3.024 -1.760 -2.438
6 HA ARG 2 HA ARG 2 4.433 -4.143 -2.346
7 HB2 ARG 2 3HB ARG 2 5.251 -3.314 -4.957
8 HB3 ARG 2 2HB ARG 2 5.713 -2.009 -3.882
9 HG2 ARG 2 3HG ARG 2 6.399 -4.420 -2.516
10 HG3 ARG 2 2HG ARG 2 6.912 -4.650 -4.176
11 HD2 ARG 2 3HD ARG 2 7.714 -2.391 -2.290
12 HD3 ARG 2 2HD ARG 2 8.759 -3.611 -2.991
13 HE ARG 2 HE ARG 2 7.744 -2.413 -5.234
14 HH11 ARG 2 1HH1 ARG 2 9.462 0.622 -5.378
15 HH12 ARG 2 2HH1 ARG 2 8.574 -0.559 -6.282
16 HH21 ARG 2 1HH2 ARG 2 9.810 0.320 -3.103
17 HH22 ARG 2 2HH2 ARG 2 9.181 -1.085 -2.309
18 HA PRO 3 HA PRO 3 1.241 -5.180 -5.142
19 HB2 PRO 3 3HB PRO 3 1.763 -7.422 -5.159
20 HB3 PRO 3 2HB PRO 3 2.278 -7.088 -6.800
21 HG2 PRO 3 3HG PRO 3 3.977 -7.899 -4.724
22 HG3 PRO 3 2HG PRO 3 4.508 -7.162 -6.223
23 HD2 PRO 3 3HD PRO 3 4.577 -6.017 -3.548
24 HD3 PRO 3 2HD PRO 3 5.213 -5.329 -5.029
25 H LEU 4 H LEU 4 1.770 -2.778 -5.832
26 HA LEU 4 HA LEU 4 1.784 -1.325 -7.493
27 HB2 LEU 4 3HB LEU 4 0.952 -2.376 -9.778
28 HB3 LEU 4 2HB LEU 4 0.535 -3.727 -8.744
29 HG LEU 4 HG LEU 4 -0.390 -0.906 -8.171
30 HD11 LEU 4 1HD2 LEU 4 -1.478 -2.923 -10.089
31 HD12 LEU 4 2HD2 LEU 4 -1.429 -1.147 -10.193
32 HD13 LEU 4 3HD2 LEU 4 -2.621 -1.944 -9.138
33 HD21 LEU 4 1HD1 LEU 4 -1.046 -1.853 -6.267
34 HD22 LEU 4 2HD1 LEU 4 -0.687 -3.491 -6.864
35 HD23 LEU 4 3HD1 LEU 4 -2.257 -2.735 -7.229
36 H TRP 5 H TRP 5 4.208 -2.995 -6.863
37 HA TRP 5 HA TRP 5 5.525 -3.443 -9.350
38 HB2 TRP 5 3HB TRP 5 7.183 -3.111 -6.951
39 HB3 TRP 5 2HB TRP 5 5.886 -4.274 -6.759
40 HD1 TRP 5 HD1 TRP 5 5.914 -6.387 -8.622
41 HE1 TRP 5 HE1 TRP 5 7.897 -7.657 -9.815
42 HE3 TRP 5 HE3 TRP 5 9.400 -2.771 -7.833
43 HZ2 TRP 5 HZ2 TRP 5 10.639 -7.020 -10.284
44 HZ3 TRP 5 HZ3 TRP 5 11.706 -3.173 -8.691
45 HH2 TRP 5 HH2 TRP 5 12.348 -5.210 -9.880
46 H THR 6 H THR 6 4.263 -0.764 -8.916
47 HA THR 6 HA THR 6 6.045 0.874 -10.118
48 HB THR 6 HB THR 6 6.692 0.482 -7.251
49 HG1 THR 6 HG1 THR 6 7.788 1.759 -9.655
50 HG21 THR 6 1HG2 THR 6 6.264 3.268 -8.425
51 HG22 THR 6 2HG2 THR 6 7.471 2.961 -7.153
52 HG23 THR 6 3HG2 THR 6 5.746 2.662 -6.833
53 H ALA 7 H ALA 7 3.393 0.372 -7.869
54 HA ALA 7 HA ALA 7 1.364 1.307 -7.909
55 HB1 ALA 7 1HB ALA 7 2.125 3.583 -9.695
56 HB2 ALA 7 2HB ALA 7 0.665 2.564 -9.701
57 HB3 ALA 7 3HB ALA 7 2.185 1.946 -10.391
58 H CYS 8 H CYS 8 1.235 2.007 -5.897
59 HA CYS 8 HA CYS 8 1.091 3.482 -4.161
60 HB2 CYS 8 2HB CYS 8 3.877 4.337 -4.922
61 HB3 CYS 8 3HB CYS 8 3.168 4.232 -3.314
62 H GLY 9 H GLY 9 -0.412 4.999 -4.694
63 HA2 GLY 9 2HA GLY 9 -0.677 7.418 -4.691
64 HA3 GLY 9 3HA GLY 9 0.642 7.502 -5.850
Start of MODEL 39
1 H1 CYS 1 H CYS 1 4.151 -1.240 -5.318
2 HA CYS 1 HA CYS 1 5.365 0.072 -3.024
3 HB2 CYS 1 2HB CYS 1 2.362 0.071 -3.280
4 HB3 CYS 1 3HB CYS 1 3.354 0.923 -2.100
5 H ARG 2 H ARG 2 5.089 -2.734 -4.293
6 HA ARG 2 HA ARG 2 3.371 -4.211 -2.740
7 HB2 ARG 2 3HB ARG 2 5.861 -5.072 -1.548
8 HB3 ARG 2 2HB ARG 2 5.724 -3.344 -1.294
9 HG2 ARG 2 3HG ARG 2 3.180 -4.044 -0.654
10 HG3 ARG 2 2HG ARG 2 3.968 -5.562 -0.273
11 HD2 ARG 2 3HD ARG 2 4.329 -4.544 1.764
12 HD3 ARG 2 2HD ARG 2 5.720 -3.864 0.943
13 HE ARG 2 HE ARG 2 3.241 -2.305 0.628
14 HH11 ARG 2 1HH1 ARG 2 4.463 0.293 2.611
15 HH12 ARG 2 2HH1 ARG 2 3.218 -0.198 1.513
16 HH21 ARG 2 1HH2 ARG 2 6.156 -1.188 3.184
17 HH22 ARG 2 2HH2 ARG 2 6.173 -2.785 2.514
18 HA PRO 3 HA PRO 3 6.685 -6.888 -4.839
19 HB2 PRO 3 3HB PRO 3 8.854 -6.585 -4.127
20 HB3 PRO 3 2HB PRO 3 9.042 -5.788 -5.677
21 HG2 PRO 3 3HG PRO 3 9.280 -4.523 -3.187
22 HG3 PRO 3 2HG PRO 3 9.043 -3.694 -4.713
23 HD2 PRO 3 3HD PRO 3 7.164 -3.940 -2.504
24 HD3 PRO 3 2HD PRO 3 6.972 -3.016 -3.981
25 H LEU 4 H LEU 4 6.402 -3.655 -6.070
26 HA LEU 4 HA LEU 4 5.355 -4.755 -8.510
27 HB2 LEU 4 3HB LEU 4 7.097 -4.515 -9.829
28 HB3 LEU 4 2HB LEU 4 7.267 -2.834 -9.364
29 HG LEU 4 HG LEU 4 8.453 -4.007 -7.232
30 HD11 LEU 4 1HD2 LEU 4 8.785 -6.183 -7.567
31 HD12 LEU 4 2HD2 LEU 4 9.978 -5.714 -8.802
32 HD13 LEU 4 3HD2 LEU 4 8.301 -6.076 -9.277
33 HD21 LEU 4 1HD1 LEU 4 10.372 -3.049 -7.995
34 HD22 LEU 4 2HD1 LEU 4 9.215 -2.284 -9.110
35 HD23 LEU 4 3HD1 LEU 4 10.174 -3.685 -9.646
36 H TRP 5 H TRP 5 3.701 -3.484 -9.215
37 HA TRP 5 HA TRP 5 2.672 -1.476 -7.707
38 HB2 TRP 5 3HB TRP 5 1.732 -0.759 -10.109
39 HB3 TRP 5 2HB TRP 5 2.373 -2.333 -10.538
40 HD1 TRP 5 HD1 TRP 5 1.144 -4.498 -9.403
41 HE1 TRP 5 HE1 TRP 5 -1.210 -4.905 -8.282
42 HE3 TRP 5 HE3 TRP 5 0.058 0.415 -8.672
43 HZ2 TRP 5 HZ2 TRP 5 -3.217 -3.165 -7.238
44 HZ3 TRP 5 HZ3 TRP 5 -2.120 0.975 -7.596
45 HH2 TRP 5 HH2 TRP 5 -3.731 -0.721 -6.887
46 H THR 6 H THR 6 5.353 -1.416 -10.027
47 HA THR 6 HA THR 6 6.479 0.329 -10.951
48 HB THR 6 HB THR 6 7.537 -0.264 -8.748
49 HG1 THR 6 HG1 THR 6 7.377 2.616 -9.274
50 HG21 THR 6 1HG2 THR 6 7.174 1.155 -6.799
51 HG22 THR 6 2HG2 THR 6 5.576 0.554 -7.302
52 HG23 THR 6 3HG2 THR 6 6.073 2.214 -7.712
53 H ALA 7 H ALA 7 3.751 0.847 -11.305
54 HA ALA 7 HA ALA 7 2.416 2.515 -11.876
55 HB1 ALA 7 1HB ALA 7 3.420 4.349 -12.784
56 HB2 ALA 7 2HB ALA 7 4.916 3.449 -12.440
57 HB3 ALA 7 3HB ALA 7 4.350 4.700 -11.308
58 H CYS 8 H CYS 8 1.555 1.737 -9.742
59 HA CYS 8 HA CYS 8 0.499 2.151 -7.771
60 HB2 CYS 8 2HB CYS 8 3.131 2.906 -7.351
61 HB3 CYS 8 3HB CYS 8 2.215 4.311 -6.816
62 H GLY 9 H GLY 9 -1.381 3.179 -7.704
63 HA2 GLY 9 2HA GLY 9 -2.698 5.125 -7.346
64 HA3 GLY 9 3HA GLY 9 -1.430 6.087 -8.091
Start of MODEL 40
1 H1 CYS 1 H CYS 1 6.483 0.851 0.704
2 HA CYS 1 HA CYS 1 4.150 0.068 -0.170
3 HB2 CYS 1 2HB CYS 1 6.274 1.607 -1.433
4 HB3 CYS 1 3HB CYS 1 5.225 0.836 -2.618
5 H ARG 2 H ARG 2 3.526 -0.766 -2.594
6 HA ARG 2 HA ARG 2 4.254 -3.476 -2.507
7 HB2 ARG 2 3HB ARG 2 4.919 -2.863 -5.222
8 HB3 ARG 2 2HB ARG 2 5.812 -1.716 -4.243
9 HG2 ARG 2 3HG ARG 2 6.043 -4.241 -2.918
10 HG3 ARG 2 2HG ARG 2 6.303 -4.559 -4.622
11 HD2 ARG 2 3HD ARG 2 8.408 -3.732 -4.430
12 HD3 ARG 2 2HD ARG 2 7.737 -2.155 -4.063
13 HE ARG 2 HE ARG 2 7.696 -3.878 -1.725
14 HH11 ARG 2 1HH1 ARG 2 10.525 -2.434 -0.280
15 HH12 ARG 2 2HH1 ARG 2 9.147 -3.448 -0.013
16 HH21 ARG 2 1HH2 ARG 2 10.899 -1.512 -2.376
17 HH22 ARG 2 2HH2 ARG 2 9.799 -1.837 -3.674
18 HA PRO 3 HA PRO 3 0.612 -3.731 -4.913
19 HB2 PRO 3 3HB PRO 3 0.635 -6.031 -5.026
20 HB3 PRO 3 2HB PRO 3 1.001 -5.747 -6.716
21 HG2 PRO 3 3HG PRO 3 2.732 -6.981 -4.890
22 HG3 PRO 3 2HG PRO 3 3.218 -6.313 -6.436
23 HD2 PRO 3 3HD PRO 3 3.863 -5.316 -3.779
24 HD3 PRO 3 2HD PRO 3 4.442 -4.719 -5.321
25 H LEU 4 H LEU 4 1.824 -1.501 -5.653
26 HA LEU 4 HA LEU 4 2.116 -0.068 -7.316
27 HB2 LEU 4 3HB LEU 4 0.367 -0.344 -9.205
28 HB3 LEU 4 2HB LEU 4 -0.253 -1.667 -8.238
29 HG LEU 4 HG LEU 4 0.148 1.002 -6.932
30 HD11 LEU 4 1HD2 LEU 4 -2.363 1.366 -7.640
31 HD12 LEU 4 2HD2 LEU 4 -1.885 0.368 -9.034
32 HD13 LEU 4 3HD2 LEU 4 -1.024 1.887 -8.691
33 HD21 LEU 4 1HD1 LEU 4 -2.025 -1.077 -6.580
34 HD22 LEU 4 2HD1 LEU 4 -1.654 0.305 -5.522
35 HD23 LEU 4 3HD1 LEU 4 -0.505 -1.048 -5.654
36 H TRP 5 H TRP 5 3.802 -2.490 -7.308
37 HA TRP 5 HA TRP 5 4.072 -3.529 -9.888
38 HB2 TRP 5 3HB TRP 5 6.285 -3.212 -7.864
39 HB3 TRP 5 2HB TRP 5 5.008 -4.399 -7.688
40 HD1 TRP 5 HD1 TRP 5 4.846 -6.191 -9.950
41 HE1 TRP 5 HE1 TRP 5 6.772 -7.386 -11.302
42 HE3 TRP 5 HE3 TRP 5 8.532 -2.978 -8.557
43 HZ2 TRP 5 HZ2 TRP 5 9.558 -6.864 -11.630
44 HZ3 TRP 5 HZ3 TRP 5 10.827 -3.392 -9.438
45 HH2 TRP 5 HH2 TRP 5 11.368 -5.256 -10.924
46 H THR 6 H THR 6 4.299 -0.354 -8.849
47 HA THR 6 HA THR 6 5.278 0.644 -11.221
48 HB THR 6 HB THR 6 7.566 1.426 -9.826
49 HG1 THR 6 HG1 THR 6 7.010 -0.220 -8.208
50 HG21 THR 6 1HG2 THR 6 6.922 -0.290 -12.089
51 HG22 THR 6 2HG2 THR 6 8.216 -1.043 -11.127
52 HG23 THR 6 3HG2 THR 6 8.429 0.602 -11.774
53 H ALA 7 H ALA 7 3.185 1.057 -9.284
54 HA ALA 7 HA ALA 7 2.064 2.823 -8.533
55 HB1 ALA 7 1HB ALA 7 2.642 4.986 -9.186
56 HB2 ALA 7 2HB ALA 7 3.512 4.007 -10.391
57 HB3 ALA 7 3HB ALA 7 4.387 4.688 -8.999
58 H CYS 8 H CYS 8 2.115 1.913 -6.506
59 HA CYS 8 HA CYS 8 4.213 2.037 -4.659
60 HB2 CYS 8 2HB CYS 8 3.637 4.522 -4.931
61 HB3 CYS 8 3HB CYS 8 2.142 4.148 -4.079
62 H GLY 9 H GLY 9 0.683 2.583 -4.682
63 HA2 GLY 9 2HA GLY 9 -0.146 0.092 -3.902
64 HA3 GLY 9 3HA GLY 9 0.275 0.897 -2.397