Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653385 | 6uxs RC | 30683 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 H01 ACE 0 3.066 -0.235 -1.623
2 H2 ACE 0 H02 ACE 0 1.248 -0.712 -1.198
3 H TRP 1 H TRP 1 3.290 1.760 -2.597
4 HA TRP 1 HA TRP 1 0.877 3.019 -3.628
5 HB2 TRP 1 HB2 TRP 1 3.719 3.843 -4.210
6 HB3 TRP 1 HB3 TRP 1 2.261 4.827 -4.299
7 HD1 TRP 1 HD1 TRP 1 0.984 4.536 -1.533
8 HE1 TRP 1 HE1 TRP 1 2.167 5.344 0.605
9 HE3 TRP 1 HE3 TRP 1 5.808 4.545 -3.228
10 HZ2 TRP 1 HZ2 TRP 1 4.797 5.911 1.460
11 HZ3 TRP 1 HZ3 TRP 1 7.598 5.234 -1.687
12 HH2 TRP 1 HH2 TRP 1 7.101 5.903 0.608
13 H LYS 2 H LYS 2 1.644 3.975 -6.053
14 HA LYS 2 HA LYS 2 1.669 1.533 -7.665
15 HB2 LYS 2 HB2 LYS 2 -0.174 3.128 -8.018
16 HB3 LYS 2 HB3 LYS 2 0.990 4.377 -8.440
17 HG2 LYS 2 HG2 LYS 2 1.668 3.142 -10.399
18 HG3 LYS 2 HG3 LYS 2 0.612 1.800 -9.952
19 HD2 LYS 2 HD2 LYS 2 -1.237 3.667 -9.979
20 HD3 LYS 2 HD3 LYS 2 -0.084 4.495 -11.028
21 HE2 LYS 2 HE2 LYS 2 -1.330 3.330 -12.569
22 HE3 LYS 2 HE3 LYS 2 -0.014 2.197 -12.270
23 HZ1 LYS 2 HZ1 LYS 2 -2.797 2.081 -11.290
24 HZ2 LYS 2 HZ2 LYS 2 -1.927 0.908 -12.143
25 HZ3 LYS 2 HZ3 LYS 2 -1.564 1.217 -10.519
26 H THR 3 H THR 3 3.044 1.280 -9.457
27 HA THR 3 HA THR 3 5.352 3.105 -9.552
28 HB THR 3 HB THR 3 5.548 0.099 -9.802
29 HG1 THR 3 HG1 THR 3 5.582 0.127 -7.693
30 HG21 THR 3 HG21 THR 3 8.018 0.714 -9.401
31 HG22 THR 3 HG22 THR 3 7.336 1.016 -11.000
32 HG23 THR 3 HG23 THR 3 7.538 2.347 -9.860
33 H ILE 4 H ILE 4 5.685 3.903 -11.515
34 HA ILE 4 HA ILE 4 5.173 2.259 -13.868
35 HB ILE 4 HB ILE 4 3.991 5.026 -13.622
36 HG12 ILE 4 HG12 ILE 4 2.615 2.331 -13.568
37 HG13 ILE 4 HG13 ILE 4 2.793 3.420 -12.196
38 HG21 ILE 4 HG21 ILE 4 2.903 3.408 -15.717
39 HG22 ILE 4 HG22 ILE 4 3.733 4.961 -15.825
40 HG23 ILE 4 HG23 ILE 4 4.660 3.461 -15.860
41 HD11 ILE 4 HD11 ILE 4 0.726 3.329 -14.106
42 HD12 ILE 4 HD12 ILE 4 0.922 4.446 -12.756
43 HD13 ILE 4 HD13 ILE 4 1.590 4.849 -14.337
44 HH31 ALY 5 HH31 ALY 5 6.449 10.417 -13.501
45 HH32 ALY 5 HH32 ALY 5 5.264 10.574 -14.821
46 HH33 ALY 5 HH33 ALY 5 4.779 9.849 -13.269
47 HZ ALY 5 HZ ALY 5 6.559 8.615 -16.300
48 HE3 ALY 5 HE3 ALY 5 5.501 6.271 -15.466
49 HE2 ALY 5 HE2 ALY 5 4.245 6.974 -16.490
50 HD3 ALY 5 HD3 ALY 5 5.390 6.484 -18.358
51 HD2 ALY 5 HD2 ALY 5 6.842 7.286 -17.744
52 HG3 ALY 5 HG3 ALY 5 5.997 4.479 -16.945
53 HG2 ALY 5 HG2 ALY 5 7.120 4.826 -18.269
54 HB3 ALY 5 HB3 ALY 5 8.762 5.662 -16.841
55 HB2 ALY 5 HB2 ALY 5 7.615 6.008 -15.554
56 HCA ALY 5 HA ALY 5 8.610 3.259 -16.401
57 H ALY 5 H ALY 5 6.745 2.458 -15.318
58 H GLY 6 H GLY 6 8.844 2.489 -13.655
59 HA2 GLY 6 HA2 GLY 6 10.337 2.581 -11.911
60 HA3 GLY 6 HA3 GLY 6 11.464 3.184 -13.118
61 HH31 ALY 7 HH31 ALY 7 13.416 10.874 -16.160
62 HH32 ALY 7 HH32 ALY 7 12.068 11.572 -17.091
63 HH33 ALY 7 HH33 ALY 7 12.939 12.567 -15.900
64 HZ ALY 7 HZ ALY 7 12.039 9.297 -14.930
65 HE3 ALY 7 HE3 ALY 7 9.535 10.183 -13.854
66 HE2 ALY 7 HE2 ALY 7 9.448 8.682 -14.778
67 HD3 ALY 7 HD3 ALY 7 10.789 7.516 -13.293
68 HD2 ALY 7 HD2 ALY 7 11.645 8.968 -12.756
69 HG3 ALY 7 HG3 ALY 7 10.341 8.710 -10.905
70 HG2 ALY 7 HG2 ALY 7 9.157 9.583 -11.889
71 HB3 ALY 7 HB3 ALY 7 7.811 7.838 -11.455
72 HB2 ALY 7 HB2 ALY 7 8.715 7.046 -12.738
73 HCA ALY 7 HA ALY 7 10.210 6.652 -10.347
74 H ALY 7 H ALY 7 8.551 4.497 -11.506
75 H THR 8 H THR 8 9.236 7.733 -8.618
76 HA THR 8 HA THR 8 6.925 6.301 -7.483
77 HB THR 8 HB THR 8 8.388 7.925 -5.572
78 HG1 THR 8 HG1 THR 8 10.203 6.301 -5.631
79 HG21 THR 8 HG21 THR 8 8.284 4.956 -5.444
80 HG22 THR 8 HG22 THR 8 7.989 6.153 -4.182
81 HG23 THR 8 HG23 THR 8 6.755 5.835 -5.402
82 H TRP 9 H TRP 9 6.005 7.878 -5.589
83 HA TRP 9 HA TRP 9 5.856 10.628 -6.069
84 HB2 TRP 9 HB2 TRP 9 3.438 10.612 -6.970
85 HB3 TRP 9 HB3 TRP 9 4.747 10.314 -8.110
86 HD1 TRP 9 HD1 TRP 9 2.161 8.289 -6.050
87 HE1 TRP 9 HE1 TRP 9 1.579 6.164 -7.380
88 HE3 TRP 9 HE3 TRP 9 5.407 8.862 -9.957
89 HZ2 TRP 9 HZ2 TRP 9 2.389 4.897 -9.769
90 HZ3 TRP 9 HZ3 TRP 9 5.442 7.149 -11.723
91 HH2 TRP 9 HH2 TRP 9 3.964 5.208 -11.629
92 H ARG 10 H ARG 10 4.249 7.723 -4.938
93 HA ARG 10 HA ARG 10 3.142 7.244 -3.009
94 HB2 ARG 10 HB2 ARG 10 5.124 8.477 -2.032
95 HB3 ARG 10 HB3 ARG 10 4.109 9.912 -1.983
96 HG2 ARG 10 HG2 ARG 10 2.895 7.560 -0.744
97 HG3 ARG 10 HG3 ARG 10 4.383 8.104 0.034
98 HD2 ARG 10 HD2 ARG 10 2.510 10.250 -0.670
99 HD3 ARG 10 HD3 ARG 10 1.903 9.111 0.532
100 HE ARG 10 HE ARG 10 4.406 9.741 1.406
101 HH11 ARG 10 HH11 ARG 10 1.569 11.576 0.566
102 HH12 ARG 10 HH12 ARG 10 1.910 12.859 1.679
103 HH21 ARG 10 HH21 ARG 10 4.865 11.423 2.876
104 HH22 ARG 10 HH22 ARG 10 3.785 12.772 2.992
105 H THR 11 H THR 11 1.014 7.241 -3.363
106 HA THR 11 HA THR 11 -0.394 9.825 -3.473
107 HB THR 11 HB THR 11 -0.802 8.669 -5.504
108 HG1 THR 11 HG1 THR 11 -2.701 9.406 -4.073
109 HG21 THR 11 HG21 THR 11 -1.511 6.241 -3.852
110 HG22 THR 11 HG22 THR 11 -1.602 6.360 -5.609
111 HG23 THR 11 HG23 THR 11 -0.038 6.447 -4.799
112 HH31 ALY 12 HH31 ALY 12 -9.013 2.381 0.672
113 HH32 ALY 12 HH32 ALY 12 -8.005 3.759 0.168
114 HH33 ALY 12 HH33 ALY 12 -8.673 2.650 -1.053
115 HZ ALY 12 HZ ALY 12 -5.335 1.684 0.868
116 HE3 ALY 12 HE3 ALY 12 -4.308 2.870 -0.711
117 HE2 ALY 12 HE2 ALY 12 -5.751 3.850 -0.987
118 HD3 ALY 12 HD3 ALY 12 -5.256 4.835 1.379
119 HD2 ALY 12 HD2 ALY 12 -3.641 4.150 1.155
120 HG3 ALY 12 HG3 ALY 12 -4.836 5.831 -1.036
121 HG2 ALY 12 HG2 ALY 12 -4.181 6.631 0.401
122 HB3 ALY 12 HB3 ALY 12 -2.304 4.648 -0.381
123 HB2 ALY 12 HB2 ALY 12 -2.798 5.472 -1.853
124 HCA ALY 12 HA ALY 12 -2.373 7.566 -0.050
125 H ALY 12 H ALY 12 -0.445 6.559 -2.101
126 H GLN 13 H GLN 13 -2.283 5.549 1.739
127 HA GLN 13 HA GLN 13 0.480 5.731 2.717
128 HB2 GLN 13 HB2 GLN 13 -2.115 5.269 4.193
129 HB3 GLN 13 HB3 GLN 13 -0.528 5.231 4.950
130 HG2 GLN 13 HG2 GLN 13 -0.951 7.655 3.421
131 HG3 GLN 13 HG3 GLN 13 -2.171 7.429 4.673
132 HE21 GLN 13 HE21 GLN 13 -1.112 6.584 6.803
133 HE22 GLN 13 HE22 GLN 13 0.257 7.495 7.333
134 H CYS 14 H CYS 14 1.250 3.947 1.507
135 HA CYS 14 HA CYS 14 0.164 1.414 1.355
136 HB2 CYS 14 HB2 CYS 14 2.421 2.530 0.413
137 HB3 CYS 14 HB3 CYS 14 3.107 1.569 1.719
138 HN1 NH2 15 H1 CYS 14 0.023 -0.346 2.733
Start of MODEL 2
1 H1 ACE 0 H01 ACE 0 3.057 -0.261 -1.629
2 H2 ACE 0 H02 ACE 0 1.231 -0.707 -1.181
3 H TRP 1 H TRP 1 3.289 1.758 -2.578
4 HA TRP 1 HA TRP 1 0.882 3.012 -3.623
5 HB2 TRP 1 HB2 TRP 1 3.727 3.830 -4.201
6 HB3 TRP 1 HB3 TRP 1 2.271 4.816 -4.296
7 HD1 TRP 1 HD1 TRP 1 0.986 4.535 -1.533
8 HE1 TRP 1 HE1 TRP 1 2.165 5.345 0.606
9 HE3 TRP 1 HE3 TRP 1 5.814 4.530 -3.216
10 HZ2 TRP 1 HZ2 TRP 1 4.794 5.909 1.466
11 HZ3 TRP 1 HZ3 TRP 1 7.601 5.218 -1.671
12 HH2 TRP 1 HH2 TRP 1 7.100 5.893 0.620
13 H LYS 2 H LYS 2 1.655 3.962 -6.049
14 HA LYS 2 HA LYS 2 1.692 1.514 -7.656
15 HB2 LYS 2 HB2 LYS 2 -0.168 3.094 -8.004
16 HB3 LYS 2 HB3 LYS 2 0.985 4.347 -8.441
17 HG2 LYS 2 HG2 LYS 2 1.634 3.162 -10.412
18 HG3 LYS 2 HG3 LYS 2 0.684 1.752 -9.934
19 HD2 LYS 2 HD2 LYS 2 -0.552 2.948 -11.599
20 HD3 LYS 2 HD3 LYS 2 -1.360 3.184 -10.047
21 HE2 LYS 2 HE2 LYS 2 0.689 5.183 -10.776
22 HE3 LYS 2 HE3 LYS 2 -0.782 5.187 -11.748
23 HZ1 LYS 2 HZ1 LYS 2 -2.004 5.227 -9.551
24 HZ2 LYS 2 HZ2 LYS 2 -0.520 5.606 -8.831
25 HZ3 LYS 2 HZ3 LYS 2 -1.191 6.647 -9.984
26 H THR 3 H THR 3 3.056 1.285 -9.465
27 HA THR 3 HA THR 3 5.350 3.129 -9.561
28 HB THR 3 HB THR 3 5.593 0.130 -9.843
29 HG1 THR 3 HG1 THR 3 5.492 0.157 -7.728
30 HG21 THR 3 HG21 THR 3 7.833 0.437 -10.147
31 HG22 THR 3 HG22 THR 3 7.262 1.959 -10.834
32 HG23 THR 3 HG23 THR 3 7.874 1.913 -9.181
33 H ILE 4 H ILE 4 5.708 3.912 -11.527
34 HA ILE 4 HA ILE 4 5.171 2.270 -13.877
35 HB ILE 4 HB ILE 4 4.018 5.049 -13.630
36 HG12 ILE 4 HG12 ILE 4 2.601 2.376 -13.594
37 HG13 ILE 4 HG13 ILE 4 2.817 3.432 -12.203
38 HG21 ILE 4 HG21 ILE 4 3.779 4.989 -15.834
39 HG22 ILE 4 HG22 ILE 4 4.657 3.459 -15.869
40 HG23 ILE 4 HG23 ILE 4 2.899 3.465 -15.723
41 HD11 ILE 4 HD11 ILE 4 0.594 3.677 -13.068
42 HD12 ILE 4 HD12 ILE 4 1.498 5.162 -13.364
43 HD13 ILE 4 HD13 ILE 4 1.218 4.023 -14.681
44 HH31 ALY 5 HH31 ALY 5 4.098 9.866 -15.364
45 HH32 ALY 5 HH32 ALY 5 3.690 9.124 -13.798
46 HH33 ALY 5 HH33 ALY 5 4.820 10.497 -13.865
47 HZ ALY 5 HZ ALY 5 6.939 8.173 -15.814
48 HE3 ALY 5 HE3 ALY 5 5.371 6.219 -15.603
49 HE2 ALY 5 HE2 ALY 5 4.309 7.178 -16.637
50 HD3 ALY 5 HD3 ALY 5 5.417 6.440 -18.439
51 HD2 ALY 5 HD2 ALY 5 6.882 7.234 -17.847
52 HG3 ALY 5 HG3 ALY 5 5.991 4.466 -16.967
53 HG2 ALY 5 HG2 ALY 5 7.116 4.754 -18.303
54 HB3 ALY 5 HB3 ALY 5 8.771 5.620 -16.900
55 HB2 ALY 5 HB2 ALY 5 7.632 5.996 -15.616
56 HCA ALY 5 HA ALY 5 8.614 3.229 -16.418
57 H ALY 5 H ALY 5 6.729 2.460 -15.345
58 H GLY 6 H GLY 6 8.847 2.490 -13.670
59 HA2 GLY 6 HA2 GLY 6 10.338 2.601 -11.924
60 HA3 GLY 6 HA3 GLY 6 11.464 3.199 -13.133
61 HH31 ALY 7 HH31 ALY 7 12.078 9.475 -17.653
62 HH32 ALY 7 HH32 ALY 7 12.225 11.249 -17.601
63 HH33 ALY 7 HH33 ALY 7 13.515 10.227 -16.925
64 HZ ALY 7 HZ ALY 7 11.382 8.502 -15.523
65 HE3 ALY 7 HE3 ALY 7 9.876 10.387 -13.935
66 HE2 ALY 7 HE2 ALY 7 8.995 8.977 -14.529
67 HD3 ALY 7 HD3 ALY 7 10.615 7.472 -13.485
68 HD2 ALY 7 HD2 ALY 7 11.607 8.845 -12.977
69 HG3 ALY 7 HG3 ALY 7 10.452 8.630 -11.031
70 HG2 ALY 7 HG2 ALY 7 9.223 9.568 -11.892
71 HB3 ALY 7 HB3 ALY 7 7.831 7.876 -11.433
72 HB2 ALY 7 HB2 ALY 7 8.655 7.027 -12.732
73 HCA ALY 7 HA ALY 7 10.204 6.659 -10.348
74 H ALY 7 H ALY 7 8.563 4.481 -11.473
75 H THR 8 H THR 8 9.250 7.711 -8.604
76 HA THR 8 HA THR 8 6.928 6.292 -7.479
77 HB THR 8 HB THR 8 8.378 7.908 -5.559
78 HG1 THR 8 HG1 THR 8 9.821 5.857 -6.919
79 HG21 THR 8 HG21 THR 8 8.244 4.924 -5.515
80 HG22 THR 8 HG22 THR 8 8.072 6.076 -4.190
81 HG23 THR 8 HG23 THR 8 6.756 5.857 -5.345
82 H TRP 9 H TRP 9 6.013 7.871 -5.581
83 HA TRP 9 HA TRP 9 5.866 10.621 -6.064
84 HB2 TRP 9 HB2 TRP 9 3.447 10.608 -6.962
85 HB3 TRP 9 HB3 TRP 9 4.755 10.307 -8.103
86 HD1 TRP 9 HD1 TRP 9 2.172 8.284 -6.037
87 HE1 TRP 9 HE1 TRP 9 1.584 6.160 -7.366
88 HE3 TRP 9 HE3 TRP 9 5.407 8.857 -9.953
89 HZ2 TRP 9 HZ2 TRP 9 2.387 4.894 -9.757
90 HZ3 TRP 9 HZ3 TRP 9 5.436 7.144 -11.720
91 HH2 TRP 9 HH2 TRP 9 3.957 5.204 -11.622
92 H ARG 10 H ARG 10 4.259 7.718 -4.927
93 HA ARG 10 HA ARG 10 3.154 7.241 -2.998
94 HB2 ARG 10 HB2 ARG 10 5.136 8.477 -2.024
95 HB3 ARG 10 HB3 ARG 10 4.120 9.911 -1.974
96 HG2 ARG 10 HG2 ARG 10 2.907 7.561 -0.733
97 HG3 ARG 10 HG3 ARG 10 4.398 8.103 0.042
98 HD2 ARG 10 HD2 ARG 10 3.467 10.018 0.788
99 HD3 ARG 10 HD3 ARG 10 2.489 10.230 -0.664
100 HE ARG 10 HE ARG 10 1.459 8.070 0.784
101 HH11 ARG 10 HH11 ARG 10 1.807 11.523 1.062
102 HH12 ARG 10 HH12 ARG 10 0.394 11.717 2.046
103 HH21 ARG 10 HH21 ARG 10 -0.403 8.313 2.078
104 HH22 ARG 10 HH22 ARG 10 -0.862 9.891 2.624
105 H THR 11 H THR 11 1.026 7.237 -3.348
106 HA THR 11 HA THR 11 -0.384 9.821 -3.453
107 HB THR 11 HB THR 11 -0.786 8.677 -5.492
108 HG1 THR 11 HG1 THR 11 -3.025 8.023 -3.860
109 HG21 THR 11 HG21 THR 11 -1.579 6.369 -5.615
110 HG22 THR 11 HG22 THR 11 -0.023 6.450 -4.789
111 HG23 THR 11 HG23 THR 11 -1.505 6.240 -3.858
112 HH31 ALY 12 HH31 ALY 12 -7.321 1.066 -0.049
113 HH32 ALY 12 HH32 ALY 12 -7.633 0.551 -1.724
114 HH33 ALY 12 HH33 ALY 12 -5.999 1.068 -1.240
115 HZ ALY 12 HZ ALY 12 -6.880 3.478 -3.089
116 HE3 ALY 12 HE3 ALY 12 -5.397 5.142 -2.511
117 HE2 ALY 12 HE2 ALY 12 -6.746 5.268 -1.379
118 HD3 ALY 12 HD3 ALY 12 -5.527 4.209 0.369
119 HD2 ALY 12 HD2 ALY 12 -4.286 3.619 -0.746
120 HG3 ALY 12 HG3 ALY 12 -4.603 6.548 -0.787
121 HG2 ALY 12 HG2 ALY 12 -4.117 5.918 0.794
122 HB3 ALY 12 HB3 ALY 12 -2.302 4.625 -0.356
123 HB2 ALY 12 HB2 ALY 12 -2.744 5.414 -1.863
124 HCA ALY 12 HA ALY 12 -2.381 7.536 -0.056
125 H ALY 12 H ALY 12 -0.440 6.544 -2.104
126 H GLN 13 H GLN 13 -2.281 5.517 1.731
127 HA GLN 13 HA GLN 13 0.476 5.721 2.724
128 HB2 GLN 13 HB2 GLN 13 -2.188 5.730 4.010
129 HB3 GLN 13 HB3 GLN 13 -0.922 4.868 4.874
130 HG2 GLN 13 HG2 GLN 13 -0.868 7.750 4.014
131 HG3 GLN 13 HG3 GLN 13 -1.056 7.139 5.657
132 HE21 GLN 13 HE21 GLN 13 0.964 8.924 4.548
133 HE22 GLN 13 HE22 GLN 13 2.488 8.169 4.848
134 H CYS 14 H CYS 14 1.244 3.941 1.493
135 HA CYS 14 HA CYS 14 0.175 1.399 1.361
136 HB2 CYS 14 HB2 CYS 14 2.404 2.522 0.378
137 HB3 CYS 14 HB3 CYS 14 3.122 1.593 1.690
138 HN1 NH2 15 H1 CYS 14 -0.257 -0.155 3.391
Start of MODEL 3
1 H1 ACE 0 H01 ACE 0 3.205 -0.147 -1.524
2 H2 ACE 0 H02 ACE 0 1.411 -0.693 -1.123
3 H TRP 1 H TRP 1 3.389 1.797 -2.561
4 HA TRP 1 HA TRP 1 0.948 3.026 -3.573
5 HB2 TRP 1 HB2 TRP 1 3.773 3.885 -4.183
6 HB3 TRP 1 HB3 TRP 1 2.300 4.848 -4.266
7 HD1 TRP 1 HD1 TRP 1 1.053 4.558 -1.487
8 HE1 TRP 1 HE1 TRP 1 2.244 5.398 0.635
9 HE3 TRP 1 HE3 TRP 1 5.861 4.624 -3.226
10 HZ2 TRP 1 HZ2 TRP 1 4.874 6.008 1.462
11 HZ3 TRP 1 HZ3 TRP 1 7.655 5.350 -1.706
12 HH2 TRP 1 HH2 TRP 1 7.169 6.027 0.589
13 H LYS 2 H LYS 2 1.686 3.972 -6.010
14 HA LYS 2 HA LYS 2 1.731 1.517 -7.603
15 HB2 LYS 2 HB2 LYS 2 -0.129 3.113 -7.940
16 HB3 LYS 2 HB3 LYS 2 1.031 4.344 -8.422
17 HG2 LYS 2 HG2 LYS 2 1.623 3.130 -10.382
18 HG3 LYS 2 HG3 LYS 2 0.706 1.717 -9.853
19 HD2 LYS 2 HD2 LYS 2 -0.519 2.954 -11.557
20 HD3 LYS 2 HD3 LYS 2 -1.370 3.011 -10.012
21 HE2 LYS 2 HE2 LYS 2 0.523 5.206 -10.409
22 HE3 LYS 2 HE3 LYS 2 -0.786 5.172 -11.589
23 HZ1 LYS 2 HZ1 LYS 2 -2.357 5.548 -9.998
24 HZ2 LYS 2 HZ2 LYS 2 -1.452 4.848 -8.753
25 HZ3 LYS 2 HZ3 LYS 2 -1.062 6.396 -9.314
26 H THR 3 H THR 3 3.103 1.259 -9.392
27 HA THR 3 HA THR 3 5.384 3.117 -9.527
28 HB THR 3 HB THR 3 5.634 0.113 -9.743
29 HG1 THR 3 HG1 THR 3 5.245 0.511 -7.605
30 HG21 THR 3 HG21 THR 3 7.468 2.404 -10.082
31 HG22 THR 3 HG22 THR 3 8.099 1.034 -9.168
32 HG23 THR 3 HG23 THR 3 7.511 0.799 -10.813
33 H ILE 4 H ILE 4 5.700 3.884 -11.505
34 HA ILE 4 HA ILE 4 5.197 2.194 -13.828
35 HB ILE 4 HB ILE 4 3.989 4.953 -13.627
36 HG12 ILE 4 HG12 ILE 4 2.644 2.245 -13.498
37 HG13 ILE 4 HG13 ILE 4 2.809 3.375 -12.159
38 HG21 ILE 4 HG21 ILE 4 2.909 3.271 -15.679
39 HG22 ILE 4 HG22 ILE 4 3.702 4.840 -15.825
40 HG23 ILE 4 HG23 ILE 4 4.663 3.361 -15.838
41 HD11 ILE 4 HD11 ILE 4 0.757 3.212 -14.103
42 HD12 ILE 4 HD12 ILE 4 0.901 4.318 -12.737
43 HD13 ILE 4 HD13 ILE 4 1.586 4.757 -14.302
44 HH31 ALY 5 HH31 ALY 5 5.313 10.605 -14.327
45 HH32 ALY 5 HH32 ALY 5 3.848 9.644 -14.642
46 HH33 ALY 5 HH33 ALY 5 4.614 9.602 -13.035
47 HZ ALY 5 HZ ALY 5 6.599 8.391 -16.175
48 HE3 ALY 5 HE3 ALY 5 5.346 6.156 -15.575
49 HE2 ALY 5 HE2 ALY 5 4.154 6.924 -16.627
50 HD3 ALY 5 HD3 ALY 5 5.330 6.363 -18.451
51 HD2 ALY 5 HD2 ALY 5 6.762 7.190 -17.825
52 HG3 ALY 5 HG3 ALY 5 5.943 4.391 -16.978
53 HG2 ALY 5 HG2 ALY 5 7.056 4.716 -18.315
54 HB3 ALY 5 HB3 ALY 5 8.695 5.609 -16.912
55 HB2 ALY 5 HB2 ALY 5 7.550 5.960 -15.626
56 HCA ALY 5 HA ALY 5 8.578 3.211 -16.431
57 H ALY 5 H ALY 5 6.709 2.421 -15.344
58 H GLY 6 H GLY 6 8.843 2.493 -13.675
59 HA2 GLY 6 HA2 GLY 6 10.349 2.635 -11.944
60 HA3 GLY 6 HA3 GLY 6 11.458 3.234 -13.170
61 HH31 ALY 7 HH31 ALY 7 10.992 8.634 -18.228
62 HH32 ALY 7 HH32 ALY 7 9.730 7.379 -18.190
63 HH33 ALY 7 HH33 ALY 7 9.416 8.934 -18.997
64 HZ ALY 7 HZ ALY 7 10.970 8.590 -15.920
65 HE3 ALY 7 HE3 ALY 7 10.013 10.261 -14.478
66 HE2 ALY 7 HE2 ALY 7 8.656 9.170 -14.195
67 HD3 ALY 7 HD3 ALY 7 10.658 7.504 -13.520
68 HD2 ALY 7 HD2 ALY 7 11.461 9.040 -13.167
69 HG3 ALY 7 HG3 ALY 7 10.445 8.642 -11.133
70 HG2 ALY 7 HG2 ALY 7 9.181 9.590 -11.932
71 HB3 ALY 7 HB3 ALY 7 7.800 7.895 -11.473
72 HB2 ALY 7 HB2 ALY 7 8.612 7.035 -12.774
73 HCA ALY 7 HA ALY 7 10.189 6.704 -10.401
74 H ALY 7 H ALY 7 8.561 4.499 -11.490
75 H THR 8 H THR 8 9.233 7.770 -8.663
76 HA THR 8 HA THR 8 6.938 6.334 -7.504
77 HB THR 8 HB THR 8 8.407 7.999 -5.627
78 HG1 THR 8 HG1 THR 8 9.821 5.857 -6.871
79 HG21 THR 8 HG21 THR 8 6.787 5.870 -5.448
80 HG22 THR 8 HG22 THR 8 8.346 5.046 -5.403
81 HG23 THR 8 HG23 THR 8 7.966 6.281 -4.203
82 H TRP 9 H TRP 9 6.007 7.918 -5.624
83 HA TRP 9 HA TRP 9 5.826 10.661 -6.128
84 HB2 TRP 9 HB2 TRP 9 3.404 10.609 -7.019
85 HB3 TRP 9 HB3 TRP 9 4.713 10.318 -8.161
86 HD1 TRP 9 HD1 TRP 9 2.160 8.277 -6.074
87 HE1 TRP 9 HE1 TRP 9 1.599 6.134 -7.386
88 HE3 TRP 9 HE3 TRP 9 5.383 8.861 -10.000
89 HZ2 TRP 9 HZ2 TRP 9 2.415 4.860 -9.769
90 HZ3 TRP 9 HZ3 TRP 9 5.431 7.135 -11.753
91 HH2 TRP 9 HH2 TRP 9 3.978 5.176 -11.638
92 H ARG 10 H ARG 10 4.255 7.749 -4.965
93 HA ARG 10 HA ARG 10 3.160 7.275 -3.028
94 HB2 ARG 10 HB2 ARG 10 5.133 8.537 -2.069
95 HB3 ARG 10 HB3 ARG 10 4.102 9.962 -2.029
96 HG2 ARG 10 HG2 ARG 10 2.920 7.607 -0.765
97 HG3 ARG 10 HG3 ARG 10 4.402 8.179 0.004
98 HD2 ARG 10 HD2 ARG 10 2.499 10.292 -0.717
99 HD3 ARG 10 HD3 ARG 10 1.910 9.158 0.497
100 HE ARG 10 HE ARG 10 4.552 10.134 1.042
101 HH11 ARG 10 HH11 ARG 10 1.147 10.781 1.375
102 HH12 ARG 10 HH12 ARG 10 1.343 11.806 2.757
103 HH21 ARG 10 HH21 ARG 10 4.824 11.483 2.862
104 HH22 ARG 10 HH22 ARG 10 3.436 12.206 3.602
105 H THR 11 H THR 11 1.032 7.245 -3.374
106 HA THR 11 HA THR 11 -0.405 9.812 -3.514
107 HB THR 11 HB THR 11 -0.816 8.612 -5.519
108 HG1 THR 11 HG1 THR 11 -3.081 7.823 -4.047
109 HG21 THR 11 HG21 THR 11 -0.023 6.414 -4.786
110 HG22 THR 11 HG22 THR 11 -1.478 6.210 -3.810
111 HG23 THR 11 HG23 THR 11 -1.600 6.292 -5.568
112 HH31 ALY 12 HH31 ALY 12 -8.809 3.231 0.069
113 HH32 ALY 12 HH32 ALY 12 -8.377 1.506 0.121
114 HH33 ALY 12 HH33 ALY 12 -9.336 2.224 1.438
115 HZ ALY 12 HZ ALY 12 -6.139 2.521 -0.039
116 HE3 ALY 12 HE3 ALY 12 -7.187 4.661 -0.492
117 HE2 ALY 12 HE2 ALY 12 -6.312 5.306 0.900
118 HD3 ALY 12 HD3 ALY 12 -4.598 3.901 -1.052
119 HD2 ALY 12 HD2 ALY 12 -5.405 5.334 -1.705
120 HG3 ALY 12 HG3 ALY 12 -4.388 6.776 -0.150
121 HG2 ALY 12 HG2 ALY 12 -4.007 5.459 0.968
122 HB3 ALY 12 HB3 ALY 12 -2.232 4.678 -0.354
123 HB2 ALY 12 HB2 ALY 12 -2.802 5.517 -1.789
124 HCA ALY 12 HA ALY 12 -2.318 7.607 -0.020
125 H ALY 12 H ALY 12 -0.403 6.576 -2.072
126 H GLN 13 H GLN 13 -2.206 5.613 1.794
127 HA GLN 13 HA GLN 13 0.569 5.808 2.736
128 HB2 GLN 13 HB2 GLN 13 -2.037 5.444 4.213
129 HB3 GLN 13 HB3 GLN 13 -0.468 5.266 4.985
130 HG2 GLN 13 HG2 GLN 13 -0.051 7.489 4.979
131 HG3 GLN 13 HG3 GLN 13 -0.930 7.762 3.476
132 HE21 GLN 13 HE21 GLN 13 -2.728 8.870 3.677
133 HE22 GLN 13 HE22 GLN 13 -3.724 8.958 5.086
134 H CYS 14 H CYS 14 1.358 4.010 1.582
135 HA CYS 14 HA CYS 14 0.271 1.477 1.440
136 HB2 CYS 14 HB2 CYS 14 2.562 2.598 0.548
137 HB3 CYS 14 HB3 CYS 14 3.202 1.597 1.847
138 HN1 NH2 15 H1 CYS 14 3.122 1.564 3.911
Start of MODEL 4
1 H1 ACE 0 H01 ACE 0 3.219 -0.091 -1.521
2 H2 ACE 0 H02 ACE 0 1.391 -0.651 -1.136
3 H TRP 1 H TRP 1 3.388 1.816 -2.561
4 HA TRP 1 HA TRP 1 0.942 3.039 -3.567
5 HB2 TRP 1 HB2 TRP 1 3.764 3.905 -4.183
6 HB3 TRP 1 HB3 TRP 1 2.290 4.864 -4.263
7 HD1 TRP 1 HD1 TRP 1 1.048 4.571 -1.482
8 HE1 TRP 1 HE1 TRP 1 2.240 5.414 0.638
9 HE3 TRP 1 HE3 TRP 1 5.852 4.650 -3.229
10 HZ2 TRP 1 HZ2 TRP 1 4.869 6.030 1.460
11 HZ3 TRP 1 HZ3 TRP 1 7.646 5.380 -1.713
12 HH2 TRP 1 HH2 TRP 1 7.163 6.056 0.583
13 H LYS 2 H LYS 2 1.673 3.987 -6.006
14 HA LYS 2 HA LYS 2 1.719 1.534 -7.600
15 HB2 LYS 2 HB2 LYS 2 -0.142 3.128 -7.938
16 HB3 LYS 2 HB3 LYS 2 1.018 4.361 -8.414
17 HG2 LYS 2 HG2 LYS 2 1.633 3.120 -10.367
18 HG3 LYS 2 HG3 LYS 2 0.658 1.742 -9.853
19 HD2 LYS 2 HD2 LYS 2 -1.258 3.574 -9.845
20 HD3 LYS 2 HD3 LYS 2 -0.185 4.347 -11.014
21 HE2 LYS 2 HE2 LYS 2 -1.384 3.064 -12.454
22 HE3 LYS 2 HE3 LYS 2 -0.156 1.879 -12.013
23 HZ1 LYS 2 HZ1 LYS 2 -1.778 1.188 -10.203
24 HZ2 LYS 2 HZ2 LYS 2 -2.944 2.077 -11.049
25 HZ3 LYS 2 HZ3 LYS 2 -2.177 0.764 -11.792
26 H THR 3 H THR 3 3.089 1.274 -9.389
27 HA THR 3 HA THR 3 5.370 3.130 -9.528
28 HB THR 3 HB THR 3 5.651 0.135 -9.783
29 HG1 THR 3 HG1 THR 3 6.492 0.221 -7.658
30 HG21 THR 3 HG21 THR 3 7.704 0.620 -10.493
31 HG22 THR 3 HG22 THR 3 7.361 2.344 -10.351
32 HG23 THR 3 HG23 THR 3 8.026 1.460 -8.977
33 H ILE 4 H ILE 4 5.691 3.892 -11.507
34 HA ILE 4 HA ILE 4 5.184 2.200 -13.827
35 HB ILE 4 HB ILE 4 3.976 4.959 -13.627
36 HG12 ILE 4 HG12 ILE 4 2.632 2.250 -13.505
37 HG13 ILE 4 HG13 ILE 4 2.796 3.378 -12.164
38 HG21 ILE 4 HG21 ILE 4 4.637 3.338 -15.836
39 HG22 ILE 4 HG22 ILE 4 2.880 3.312 -15.684
40 HG23 ILE 4 HG23 ILE 4 3.730 4.850 -15.828
41 HD11 ILE 4 HD11 ILE 4 1.582 4.848 -14.185
42 HD12 ILE 4 HD12 ILE 4 0.806 3.265 -14.237
43 HD13 ILE 4 HD13 ILE 4 0.821 4.191 -12.736
44 HH31 ALY 5 HH31 ALY 5 3.861 7.864 -13.737
45 HH32 ALY 5 HH32 ALY 5 4.531 9.284 -12.899
46 HH33 ALY 5 HH33 ALY 5 3.814 9.461 -14.519
47 HZ ALY 5 HZ ALY 5 6.700 8.364 -16.111
48 HE3 ALY 5 HE3 ALY 5 5.430 6.167 -15.491
49 HE2 ALY 5 HE2 ALY 5 4.209 6.940 -16.508
50 HD3 ALY 5 HD3 ALY 5 5.315 6.350 -18.366
51 HD2 ALY 5 HD2 ALY 5 6.775 7.170 -17.798
52 HG3 ALY 5 HG3 ALY 5 5.956 4.378 -16.921
53 HG2 ALY 5 HG2 ALY 5 7.052 4.699 -18.273
54 HB3 ALY 5 HB3 ALY 5 8.718 5.571 -16.896
55 HB2 ALY 5 HB2 ALY 5 7.595 5.945 -15.596
56 HCA ALY 5 HA ALY 5 8.597 3.184 -16.396
57 H ALY 5 H ALY 5 6.744 2.387 -15.288
58 H GLY 6 H GLY 6 8.856 2.466 -13.642
59 HA2 GLY 6 HA2 GLY 6 10.359 2.603 -11.909
60 HA3 GLY 6 HA3 GLY 6 11.472 3.204 -13.130
61 HH31 ALY 7 HH31 ALY 7 13.216 8.982 -17.328
62 HH32 ALY 7 HH32 ALY 7 12.938 10.235 -16.094
63 HH33 ALY 7 HH33 ALY 7 13.000 8.519 -15.623
64 HZ ALY 7 HZ ALY 7 11.032 7.657 -15.420
65 HE3 ALY 7 HE3 ALY 7 10.673 10.172 -14.370
66 HE2 ALY 7 HE2 ALY 7 9.107 9.360 -14.292
67 HD3 ALY 7 HD3 ALY 7 10.679 7.356 -13.383
68 HD2 ALY 7 HD2 ALY 7 11.655 8.739 -12.868
69 HG3 ALY 7 HG3 ALY 7 10.316 8.740 -11.043
70 HG2 ALY 7 HG2 ALY 7 9.154 9.553 -12.103
71 HB3 ALY 7 HB3 ALY 7 7.792 7.869 -11.462
72 HB2 ALY 7 HB2 ALY 7 8.605 7.013 -12.764
73 HCA ALY 7 HA ALY 7 10.190 6.690 -10.396
74 H ALY 7 H ALY 7 8.556 4.491 -11.502
75 H THR 8 H THR 8 9.197 7.801 -8.686
76 HA THR 8 HA THR 8 6.923 6.347 -7.507
77 HB THR 8 HB THR 8 8.399 8.018 -5.639
78 HG1 THR 8 HG1 THR 8 9.845 5.776 -6.578
79 HG21 THR 8 HG21 THR 8 8.178 5.034 -5.527
80 HG22 THR 8 HG22 THR 8 8.119 6.210 -4.214
81 HG23 THR 8 HG23 THR 8 6.743 6.036 -5.304
82 H TRP 9 H TRP 9 5.991 7.932 -5.631
83 HA TRP 9 HA TRP 9 5.810 10.675 -6.137
84 HB2 TRP 9 HB2 TRP 9 3.388 10.622 -7.028
85 HB3 TRP 9 HB3 TRP 9 4.696 10.329 -8.170
86 HD1 TRP 9 HD1 TRP 9 2.143 8.293 -6.081
87 HE1 TRP 9 HE1 TRP 9 1.581 6.148 -7.388
88 HE3 TRP 9 HE3 TRP 9 5.366 8.868 -10.006
89 HZ2 TRP 9 HZ2 TRP 9 2.398 4.869 -9.769
90 HZ3 TRP 9 HZ3 TRP 9 5.415 7.138 -11.756
91 HH2 TRP 9 HH2 TRP 9 3.961 5.181 -11.638
92 H ARG 10 H ARG 10 4.239 7.764 -4.971
93 HA ARG 10 HA ARG 10 3.145 7.292 -3.033
94 HB2 ARG 10 HB2 ARG 10 5.116 8.560 -2.077
95 HB3 ARG 10 HB3 ARG 10 4.083 9.981 -2.037
96 HG2 ARG 10 HG2 ARG 10 2.908 7.623 -0.771
97 HG3 ARG 10 HG3 ARG 10 4.389 8.198 -0.004
98 HD2 ARG 10 HD2 ARG 10 2.379 10.243 -0.734
99 HD3 ARG 10 HD3 ARG 10 1.963 9.158 0.592
100 HE ARG 10 HE ARG 10 4.572 10.195 0.943
101 HH11 ARG 10 HH11 ARG 10 1.214 11.091 1.154
102 HH12 ARG 10 HH12 ARG 10 1.480 12.308 2.358
103 HH21 ARG 10 HH21 ARG 10 4.935 11.795 2.528
104 HH22 ARG 10 HH22 ARG 10 3.597 12.709 3.138
105 H THR 11 H THR 11 1.016 7.259 -3.369
106 HA THR 11 HA THR 11 -0.423 9.825 -3.518
107 HB THR 11 HB THR 11 -0.837 8.620 -5.518
108 HG1 THR 11 HG1 THR 11 -2.768 9.419 -4.825
109 HG21 THR 11 HG21 THR 11 -1.493 6.219 -3.804
110 HG22 THR 11 HG22 THR 11 -1.613 6.297 -5.562
111 HG23 THR 11 HG23 THR 11 -0.037 6.424 -4.779
112 HH31 ALY 12 HH31 ALY 12 -2.760 -0.763 1.182
113 HH32 ALY 12 HH32 ALY 12 -4.270 -1.643 0.845
114 HH33 ALY 12 HH33 ALY 12 -3.006 -1.533 -0.403
115 HZ ALY 12 HZ ALY 12 -2.920 1.192 1.016
116 HE3 ALY 12 HE3 ALY 12 -3.938 2.549 -1.214
117 HE2 ALY 12 HE2 ALY 12 -4.326 3.439 0.261
118 HD3 ALY 12 HD3 ALY 12 -2.026 3.616 0.883
119 HD2 ALY 12 HD2 ALY 12 -1.532 2.419 -0.322
120 HG3 ALY 12 HG3 ALY 12 -0.937 4.528 -1.241
121 HG2 ALY 12 HG2 ALY 12 -2.402 4.029 -2.101
122 HB3 ALY 12 HB3 ALY 12 -3.385 5.928 -1.497
123 HB2 ALY 12 HB2 ALY 12 -3.294 5.413 0.181
124 HCA ALY 12 HA ALY 12 -2.327 7.630 -0.013
125 H ALY 12 H ALY 12 -0.422 6.591 -2.070
126 H GLN 13 H GLN 13 -2.222 5.634 1.800
127 HA GLN 13 HA GLN 13 0.555 5.816 2.737
128 HB2 GLN 13 HB2 GLN 13 -2.001 5.328 4.273
129 HB3 GLN 13 HB3 GLN 13 -0.394 5.378 4.986
130 HG2 GLN 13 HG2 GLN 13 -0.526 7.749 3.610
131 HG3 GLN 13 HG3 GLN 13 -2.170 7.547 4.214
132 HE21 GLN 13 HE21 GLN 13 -0.191 9.510 4.979
133 HE22 GLN 13 HE22 GLN 13 0.075 9.307 6.674
134 H CYS 14 H CYS 14 1.327 4.023 1.555
135 HA CYS 14 HA CYS 14 0.238 1.491 1.417
136 HB2 CYS 14 HB2 CYS 14 2.464 2.567 0.428
137 HB3 CYS 14 HB3 CYS 14 3.188 1.706 1.784
138 HN1 NH2 15 H1 CYS 14 2.669 2.053 4.458
Start of MODEL 5
1 H1 ACE 0 H01 ACE 0 3.110 -0.194 -1.553
2 H2 ACE 0 H02 ACE 0 1.284 -0.632 -1.081
3 H TRP 1 H TRP 1 3.325 1.826 -2.520
4 HA TRP 1 HA TRP 1 0.907 3.041 -3.585
5 HB2 TRP 1 HB2 TRP 1 3.744 3.871 -4.184
6 HB3 TRP 1 HB3 TRP 1 2.280 4.845 -4.287
7 HD1 TRP 1 HD1 TRP 1 1.010 4.597 -1.515
8 HE1 TRP 1 HE1 TRP 1 2.192 5.446 0.607
9 HE3 TRP 1 HE3 TRP 1 5.831 4.595 -3.217
10 HZ2 TRP 1 HZ2 TRP 1 4.822 6.037 1.449
11 HZ3 TRP 1 HZ3 TRP 1 7.620 5.318 -1.690
12 HH2 TRP 1 HH2 TRP 1 7.124 6.023 0.594
13 H LYS 2 H LYS 2 1.668 3.958 -6.026
14 HA LYS 2 HA LYS 2 1.721 1.485 -7.594
15 HB2 LYS 2 HB2 LYS 2 -0.152 3.047 -7.958
16 HB3 LYS 2 HB3 LYS 2 0.991 4.299 -8.428
17 HG2 LYS 2 HG2 LYS 2 1.585 3.153 -10.402
18 HG3 LYS 2 HG3 LYS 2 0.790 1.671 -9.869
19 HD2 LYS 2 HD2 LYS 2 -1.297 3.361 -9.792
20 HD3 LYS 2 HD3 LYS 2 -0.351 4.115 -11.077
21 HE2 LYS 2 HE2 LYS 2 -0.224 1.856 -12.168
22 HE3 LYS 2 HE3 LYS 2 -1.384 1.288 -10.968
23 HZ1 LYS 2 HZ1 LYS 2 -2.787 3.262 -11.790
24 HZ2 LYS 2 HZ2 LYS 2 -1.783 3.225 -13.152
25 HZ3 LYS 2 HZ3 LYS 2 -2.711 1.869 -12.747
26 H THR 3 H THR 3 3.086 1.236 -9.399
27 HA THR 3 HA THR 3 5.364 3.096 -9.527
28 HB THR 3 HB THR 3 5.622 0.096 -9.776
29 HG1 THR 3 HG1 THR 3 5.771 1.810 -7.562
30 HG21 THR 3 HG21 THR 3 7.275 1.811 -10.863
31 HG22 THR 3 HG22 THR 3 7.857 1.997 -9.209
32 HG23 THR 3 HG23 THR 3 7.900 0.414 -9.985
33 H ILE 4 H ILE 4 5.695 3.870 -11.501
34 HA ILE 4 HA ILE 4 5.177 2.200 -13.834
35 HB ILE 4 HB ILE 4 3.976 4.960 -13.602
36 HG12 ILE 4 HG12 ILE 4 2.623 2.253 -13.532
37 HG13 ILE 4 HG13 ILE 4 2.793 3.352 -12.167
38 HG21 ILE 4 HG21 ILE 4 4.635 3.359 -15.834
39 HG22 ILE 4 HG22 ILE 4 2.877 3.355 -15.687
40 HG23 ILE 4 HG23 ILE 4 3.749 4.884 -15.807
41 HD11 ILE 4 HD11 ILE 4 0.940 3.437 -14.454
42 HD12 ILE 4 HD12 ILE 4 0.703 3.922 -12.776
43 HD13 ILE 4 HD13 ILE 4 1.567 4.985 -13.886
44 HH31 ALY 5 HH31 ALY 5 3.851 9.329 -16.450
45 HH32 ALY 5 HH32 ALY 5 3.091 8.987 -14.875
46 HH33 ALY 5 HH33 ALY 5 3.907 10.546 -15.153
47 HZ ALY 5 HZ ALY 5 6.767 7.874 -15.265
48 HE3 ALY 5 HE3 ALY 5 5.316 6.106 -15.582
49 HE2 ALY 5 HE2 ALY 5 4.288 7.098 -16.620
50 HD3 ALY 5 HD3 ALY 5 5.389 6.305 -18.404
51 HD2 ALY 5 HD2 ALY 5 6.845 7.126 -17.828
52 HG3 ALY 5 HG3 ALY 5 5.991 4.359 -16.910
53 HG2 ALY 5 HG2 ALY 5 7.113 4.646 -18.249
54 HB3 ALY 5 HB3 ALY 5 8.756 5.554 -16.855
55 HB2 ALY 5 HB2 ALY 5 7.610 5.926 -15.575
56 HCA ALY 5 HA ALY 5 8.635 3.165 -16.348
57 H ALY 5 H ALY 5 6.783 2.362 -15.241
58 H GLY 6 H GLY 6 8.866 2.468 -13.584
59 HA2 GLY 6 HA2 GLY 6 10.350 2.622 -11.836
60 HA3 GLY 6 HA3 GLY 6 11.474 3.212 -13.052
61 HH31 ALY 7 HH31 ALY 7 10.051 13.159 -16.461
62 HH32 ALY 7 HH32 ALY 7 8.694 12.535 -15.493
63 HH33 ALY 7 HH33 ALY 7 10.304 12.719 -14.757
64 HZ ALY 7 HZ ALY 7 11.004 10.900 -14.426
65 HE3 ALY 7 HE3 ALY 7 8.884 9.736 -14.055
66 HE2 ALY 7 HE2 ALY 7 9.490 8.480 -15.137
67 HD3 ALY 7 HD3 ALY 7 10.684 7.535 -13.489
68 HD2 ALY 7 HD2 ALY 7 11.471 9.073 -13.107
69 HG3 ALY 7 HG3 ALY 7 10.373 8.703 -11.117
70 HG2 ALY 7 HG2 ALY 7 9.125 9.615 -11.981
71 HB3 ALY 7 HB3 ALY 7 7.762 7.900 -11.539
72 HB2 ALY 7 HB2 ALY 7 8.626 7.046 -12.809
73 HCA ALY 7 HA ALY 7 10.149 6.745 -10.406
74 H ALY 7 H ALY 7 8.521 4.548 -11.541
75 H THR 8 H THR 8 9.278 7.689 -8.611
76 HA THR 8 HA THR 8 6.926 6.320 -7.498
77 HB THR 8 HB THR 8 8.382 7.973 -5.605
78 HG1 THR 8 HG1 THR 8 10.353 7.137 -5.796
79 HG21 THR 8 HG21 THR 8 8.339 5.020 -5.394
80 HG22 THR 8 HG22 THR 8 7.928 6.249 -4.197
81 HG23 THR 8 HG23 THR 8 6.772 5.828 -5.460
82 H TRP 9 H TRP 9 6.006 7.917 -5.616
83 HA TRP 9 HA TRP 9 5.839 10.660 -6.133
84 HB2 TRP 9 HB2 TRP 9 3.417 10.619 -7.024
85 HB3 TRP 9 HB3 TRP 9 4.725 10.312 -8.164
86 HD1 TRP 9 HD1 TRP 9 2.158 8.301 -6.067
87 HE1 TRP 9 HE1 TRP 9 1.582 6.155 -7.366
88 HE3 TRP 9 HE3 TRP 9 5.383 8.840 -9.997
89 HZ2 TRP 9 HZ2 TRP 9 2.388 4.862 -9.742
90 HZ3 TRP 9 HZ3 TRP 9 5.419 7.104 -11.739
91 HH2 TRP 9 HH2 TRP 9 3.952 5.156 -11.612
92 H ARG 10 H ARG 10 4.253 7.761 -4.956
93 HA ARG 10 HA ARG 10 3.157 7.302 -3.017
94 HB2 ARG 10 HB2 ARG 10 5.135 8.561 -2.064
95 HB3 ARG 10 HB3 ARG 10 4.110 9.990 -2.030
96 HG2 ARG 10 HG2 ARG 10 2.916 7.647 -0.755
97 HG3 ARG 10 HG3 ARG 10 4.404 8.210 0.009
98 HD2 ARG 10 HD2 ARG 10 2.501 10.327 -0.717
99 HD3 ARG 10 HD3 ARG 10 1.930 9.207 0.520
100 HE ARG 10 HE ARG 10 3.957 11.203 0.809
101 HH11 ARG 10 HH11 ARG 10 2.875 8.092 1.939
102 HH12 ARG 10 HH12 ARG 10 3.643 8.242 3.485
103 HH21 ARG 10 HH21 ARG 10 4.972 11.411 2.840
104 HH22 ARG 10 HH22 ARG 10 4.835 10.130 3.997
105 H THR 11 H THR 11 1.028 7.279 -3.361
106 HA THR 11 HA THR 11 -0.398 9.854 -3.496
107 HB THR 11 HB THR 11 -0.800 8.679 -5.517
108 HG1 THR 11 HG1 THR 11 -2.816 9.231 -5.210
109 HG21 THR 11 HG21 THR 11 -0.020 6.468 -4.790
110 HG22 THR 11 HG22 THR 11 -1.497 6.260 -3.847
111 HG23 THR 11 HG23 THR 11 -1.580 6.365 -5.605
112 HH31 ALY 12 HH31 ALY 12 -8.255 5.409 -1.239
113 HH32 ALY 12 HH32 ALY 12 -8.951 5.029 -2.832
114 HH33 ALY 12 HH33 ALY 12 -9.590 4.241 -1.370
115 HZ ALY 12 HZ ALY 12 -6.761 3.995 -3.586
116 HE3 ALY 12 HE3 ALY 12 -4.941 5.227 -2.872
117 HE2 ALY 12 HE2 ALY 12 -6.349 5.841 -2.000
118 HD3 ALY 12 HD3 ALY 12 -5.779 4.463 -0.050
119 HD2 ALY 12 HD2 ALY 12 -4.406 3.764 -0.921
120 HG3 ALY 12 HG3 ALY 12 -4.509 6.740 -0.774
121 HG2 ALY 12 HG2 ALY 12 -4.194 5.892 0.747
122 HB3 ALY 12 HB3 ALY 12 -2.319 4.707 -0.259
123 HB2 ALY 12 HB2 ALY 12 -2.671 5.412 -1.831
124 HCA ALY 12 HA ALY 12 -2.366 7.606 -0.058
125 H ALY 12 H ALY 12 -0.429 6.597 -2.101
126 H GLN 13 H GLN 13 -2.251 5.609 1.753
127 HA GLN 13 HA GLN 13 0.507 5.839 2.732
128 HB2 GLN 13 HB2 GLN 13 -2.156 5.671 4.078
129 HB3 GLN 13 HB3 GLN 13 -0.732 5.096 4.936
130 HG2 GLN 13 HG2 GLN 13 -0.381 7.721 3.714
131 HG3 GLN 13 HG3 GLN 13 -1.660 7.663 4.926
132 HE21 GLN 13 HE21 GLN 13 1.743 7.028 4.341
133 HE22 GLN 13 HE22 GLN 13 2.247 7.181 5.987
134 H CYS 14 H CYS 14 1.282 4.049 1.518
135 HA CYS 14 HA CYS 14 0.229 1.500 1.415
136 HB2 CYS 14 HB2 CYS 14 2.440 2.620 0.404
137 HB3 CYS 14 HB3 CYS 14 3.177 1.728 1.732
138 HN1 NH2 15 H1 CYS 14 0.859 1.706 5.215
Start of MODEL 6
1 H1 ACE 0 H01 ACE 0 3.039 -0.247 -1.619
2 H2 ACE 0 H02 ACE 0 1.209 -0.679 -1.163
3 H TRP 1 H TRP 1 3.273 1.777 -2.567
4 HA TRP 1 HA TRP 1 0.868 3.025 -3.624
5 HB2 TRP 1 HB2 TRP 1 3.714 3.840 -4.201
6 HB3 TRP 1 HB3 TRP 1 2.258 4.826 -4.300
7 HD1 TRP 1 HD1 TRP 1 0.971 4.557 -1.538
8 HE1 TRP 1 HE1 TRP 1 2.148 5.374 0.601
9 HE3 TRP 1 HE3 TRP 1 5.801 4.541 -3.216
10 HZ2 TRP 1 HZ2 TRP 1 4.777 5.939 1.461
11 HZ3 TRP 1 HZ3 TRP 1 7.587 5.235 -1.671
12 HH2 TRP 1 HH2 TRP 1 7.083 5.919 0.617
13 H LYS 2 H LYS 2 1.645 3.966 -6.051
14 HA LYS 2 HA LYS 2 1.683 1.511 -7.648
15 HB2 LYS 2 HB2 LYS 2 -0.175 3.095 -8.003
16 HB3 LYS 2 HB3 LYS 2 0.982 4.342 -8.451
17 HG2 LYS 2 HG2 LYS 2 1.596 3.186 -10.427
18 HG3 LYS 2 HG3 LYS 2 0.726 1.734 -9.924
19 HD2 LYS 2 HD2 LYS 2 -1.336 3.348 -9.893
20 HD3 LYS 2 HD3 LYS 2 -0.335 4.323 -10.971
21 HE2 LYS 2 HE2 LYS 2 -1.677 2.926 -12.344
22 HE3 LYS 2 HE3 LYS 2 -0.042 2.269 -12.388
23 HZ1 LYS 2 HZ1 LYS 2 -0.791 0.708 -10.593
24 HZ2 LYS 2 HZ2 LYS 2 -2.374 1.225 -10.888
25 HZ3 LYS 2 HZ3 LYS 2 -1.494 0.454 -12.110
26 H THR 3 H THR 3 3.056 1.269 -9.446
27 HA THR 3 HA THR 3 5.349 3.112 -9.548
28 HB THR 3 HB THR 3 5.559 0.105 -9.780
29 HG1 THR 3 HG1 THR 3 6.570 1.684 -7.654
30 HG21 THR 3 HG21 THR 3 7.660 2.271 -9.640
31 HG22 THR 3 HG22 THR 3 7.981 0.537 -9.634
32 HG23 THR 3 HG23 THR 3 7.259 1.295 -11.053
33 H ILE 4 H ILE 4 5.683 3.906 -11.512
34 HA ILE 4 HA ILE 4 5.169 2.257 -13.862
35 HB ILE 4 HB ILE 4 3.988 5.024 -13.622
36 HG12 ILE 4 HG12 ILE 4 2.594 2.338 -13.573
37 HG13 ILE 4 HG13 ILE 4 2.806 3.399 -12.185
38 HG21 ILE 4 HG21 ILE 4 2.897 3.391 -15.706
39 HG22 ILE 4 HG22 ILE 4 3.715 4.950 -15.823
40 HG23 ILE 4 HG23 ILE 4 4.653 3.456 -15.855
41 HD11 ILE 4 HD11 ILE 4 1.583 4.851 -14.321
42 HD12 ILE 4 HD12 ILE 4 0.691 3.359 -14.019
43 HD13 ILE 4 HD13 ILE 4 0.967 4.505 -12.705
44 HH31 ALY 5 HH31 ALY 5 7.494 9.172 -14.273
45 HH32 ALY 5 HH32 ALY 5 6.461 9.225 -12.825
46 HH33 ALY 5 HH33 ALY 5 6.857 7.663 -13.581
47 HZ ALY 5 HZ ALY 5 6.507 8.623 -16.176
48 HE3 ALY 5 HE3 ALY 5 5.594 6.336 -15.434
49 HE2 ALY 5 HE2 ALY 5 4.238 6.818 -16.457
50 HD3 ALY 5 HD3 ALY 5 5.399 6.464 -18.363
51 HD2 ALY 5 HD2 ALY 5 6.844 7.269 -17.737
52 HG3 ALY 5 HG3 ALY 5 6.000 4.462 -16.939
53 HG2 ALY 5 HG2 ALY 5 7.123 4.806 -18.263
54 HB3 ALY 5 HB3 ALY 5 8.764 5.647 -16.835
55 HB2 ALY 5 HB2 ALY 5 7.616 5.996 -15.551
56 HCA ALY 5 HA ALY 5 8.613 3.246 -16.389
57 H ALY 5 H ALY 5 6.753 2.444 -15.297
58 H GLY 6 H GLY 6 8.847 2.484 -13.641
59 HA2 GLY 6 HA2 GLY 6 10.340 2.582 -11.897
60 HA3 GLY 6 HA3 GLY 6 11.467 3.182 -13.105
61 HH31 ALY 7 HH31 ALY 7 12.180 12.216 -17.002
62 HH32 ALY 7 HH32 ALY 7 12.686 10.510 -17.061
63 HH33 ALY 7 HH33 ALY 7 11.145 11.009 -17.799
64 HZ ALY 7 HZ ALY 7 12.090 9.639 -14.678
65 HE3 ALY 7 HE3 ALY 7 9.467 9.910 -14.012
66 HE2 ALY 7 HE2 ALY 7 9.573 8.355 -14.843
67 HD3 ALY 7 HD3 ALY 7 10.880 7.404 -13.209
68 HD2 ALY 7 HD2 ALY 7 11.674 8.931 -12.801
69 HG3 ALY 7 HG3 ALY 7 10.363 8.709 -10.931
70 HG2 ALY 7 HG2 ALY 7 9.214 9.566 -11.969
71 HB3 ALY 7 HB3 ALY 7 7.833 7.866 -11.435
72 HB2 ALY 7 HB2 ALY 7 8.689 7.036 -12.728
73 HCA ALY 7 HA ALY 7 10.210 6.652 -10.337
74 H ALY 7 H ALY 7 8.554 4.494 -11.492
75 H THR 8 H THR 8 9.245 7.719 -8.601
76 HA THR 8 HA THR 8 6.923 6.299 -7.477
77 HB THR 8 HB THR 8 8.375 7.921 -5.560
78 HG1 THR 8 HG1 THR 8 10.353 7.159 -5.811
79 HG21 THR 8 HG21 THR 8 6.741 5.881 -5.338
80 HG22 THR 8 HG22 THR 8 8.222 4.938 -5.500
81 HG23 THR 8 HG23 THR 8 8.055 6.098 -4.183
82 H TRP 9 H TRP 9 6.006 7.884 -5.583
83 HA TRP 9 HA TRP 9 5.859 10.632 -6.072
84 HB2 TRP 9 HB2 TRP 9 3.441 10.617 -6.974
85 HB3 TRP 9 HB3 TRP 9 4.752 10.315 -8.113
86 HD1 TRP 9 HD1 TRP 9 2.166 8.295 -6.045
87 HE1 TRP 9 HE1 TRP 9 1.580 6.168 -7.371
88 HE3 TRP 9 HE3 TRP 9 5.405 8.861 -9.960
89 HZ2 TRP 9 HZ2 TRP 9 2.386 4.897 -9.760
90 HZ3 TRP 9 HZ3 TRP 9 5.436 7.144 -11.723
91 HH2 TRP 9 HH2 TRP 9 3.957 5.205 -11.623
92 H ARG 10 H ARG 10 4.251 7.732 -4.932
93 HA ARG 10 HA ARG 10 3.143 7.260 -3.003
94 HB2 ARG 10 HB2 ARG 10 5.124 8.497 -2.028
95 HB3 ARG 10 HB3 ARG 10 4.108 9.931 -1.985
96 HG2 ARG 10 HG2 ARG 10 2.893 7.585 -0.739
97 HG3 ARG 10 HG3 ARG 10 4.381 8.129 0.038
98 HD2 ARG 10 HD2 ARG 10 1.958 9.826 -0.550
99 HD3 ARG 10 HD3 ARG 10 2.424 9.198 1.029
100 HE ARG 10 HE ARG 10 4.513 10.740 -0.125
101 HH11 ARG 10 HH11 ARG 10 1.446 11.000 1.503
102 HH12 ARG 10 HH12 ARG 10 1.785 12.563 2.169
103 HH21 ARG 10 HH21 ARG 10 4.971 12.797 0.748
104 HH22 ARG 10 HH22 ARG 10 3.790 13.584 1.739
105 H THR 11 H THR 11 1.015 7.254 -3.358
106 HA THR 11 HA THR 11 -0.394 9.839 -3.471
107 HB THR 11 HB THR 11 -0.794 8.689 -5.507
108 HG1 THR 11 HG1 THR 11 -3.113 8.023 -5.132
109 HG21 THR 11 HG21 THR 11 -1.588 6.381 -5.626
110 HG22 THR 11 HG22 THR 11 -0.032 6.465 -4.800
111 HG23 THR 11 HG23 THR 11 -1.515 6.257 -3.868
112 HH31 ALY 12 HH31 ALY 12 -9.847 7.202 -2.420
113 HH32 ALY 12 HH32 ALY 12 -9.113 5.729 -3.098
114 HH33 ALY 12 HH33 ALY 12 -10.458 5.602 -1.940
115 HZ ALY 12 HZ ALY 12 -6.825 6.571 -1.602
116 HE3 ALY 12 HE3 ALY 12 -6.500 5.464 0.552
117 HE2 ALY 12 HE2 ALY 12 -6.992 3.965 -0.244
118 HD3 ALY 12 HD3 ALY 12 -4.778 3.694 -0.635
119 HD2 ALY 12 HD2 ALY 12 -5.043 4.839 -1.957
120 HG3 ALY 12 HG3 ALY 12 -4.491 6.709 -0.373
121 HG2 ALY 12 HG2 ALY 12 -4.096 5.499 0.857
122 HB3 ALY 12 HB3 ALY 12 -2.285 4.642 -0.420
123 HB2 ALY 12 HB2 ALY 12 -2.809 5.478 -1.875
124 HCA ALY 12 HA ALY 12 -2.395 7.563 -0.070
125 H ALY 12 H ALY 12 -0.452 6.566 -2.114
126 H GLN 13 H GLN 13 -2.300 5.548 1.721
127 HA GLN 13 HA GLN 13 0.456 5.755 2.718
128 HB2 GLN 13 HB2 GLN 13 -2.157 5.306 4.163
129 HB3 GLN 13 HB3 GLN 13 -0.584 5.223 4.944
130 HG2 GLN 13 HG2 GLN 13 -0.166 7.528 4.521
131 HG3 GLN 13 HG3 GLN 13 -1.588 7.652 3.486
132 HE21 GLN 13 HE21 GLN 13 -1.780 9.494 5.133
133 HE22 GLN 13 HE22 GLN 13 -2.730 9.149 6.533
134 H CYS 14 H CYS 14 1.225 3.971 1.487
135 HA CYS 14 HA CYS 14 0.157 1.430 1.360
136 HB2 CYS 14 HB2 CYS 14 2.380 2.548 0.369
137 HB3 CYS 14 HB3 CYS 14 3.105 1.634 1.688
138 HN1 NH2 15 H1 CYS 14 -0.765 0.790 3.460
Start of MODEL 7
1 H1 ACE 0 H01 ACE 0 3.074 -0.258 -1.627
2 H2 ACE 0 H02 ACE 0 1.253 -0.729 -1.199
3 H TRP 1 H TRP 1 3.298 1.746 -2.591
4 HA TRP 1 HA TRP 1 0.887 3.006 -3.623
5 HB2 TRP 1 HB2 TRP 1 3.731 3.823 -4.209
6 HB3 TRP 1 HB3 TRP 1 2.275 4.810 -4.296
7 HD1 TRP 1 HD1 TRP 1 1.000 4.523 -1.529
8 HE1 TRP 1 HE1 TRP 1 2.188 5.327 0.608
9 HE3 TRP 1 HE3 TRP 1 5.822 4.519 -3.229
10 HZ2 TRP 1 HZ2 TRP 1 4.821 5.888 1.460
11 HZ3 TRP 1 HZ3 TRP 1 7.616 5.204 -1.690
12 HH2 TRP 1 HH2 TRP 1 7.124 5.873 0.605
13 H LYS 2 H LYS 2 1.655 3.960 -6.050
14 HA LYS 2 HA LYS 2 1.680 1.515 -7.661
15 HB2 LYS 2 HB2 LYS 2 -0.168 3.128 -7.990
16 HB3 LYS 2 HB3 LYS 2 1.003 4.352 -8.461
17 HG2 LYS 2 HG2 LYS 2 1.098 3.592 -10.545
18 HG3 LYS 2 HG3 LYS 2 1.302 1.923 -10.008
19 HD2 LYS 2 HD2 LYS 2 -1.230 2.038 -9.478
20 HD3 LYS 2 HD3 LYS 2 -1.224 3.441 -10.548
21 HE2 LYS 2 HE2 LYS 2 -0.504 2.154 -12.391
22 HE3 LYS 2 HE3 LYS 2 -0.070 0.788 -11.365
23 HZ1 LYS 2 HZ1 LYS 2 -2.078 0.157 -12.296
24 HZ2 LYS 2 HZ2 LYS 2 -2.552 0.761 -10.789
25 HZ3 LYS 2 HZ3 LYS 2 -2.753 1.703 -12.180
26 H THR 3 H THR 3 3.052 1.266 -9.454
27 HA THR 3 HA THR 3 5.351 3.104 -9.559
28 HB THR 3 HB THR 3 5.563 0.099 -9.810
29 HG1 THR 3 HG1 THR 3 6.771 0.521 -7.719
30 HG21 THR 3 HG21 THR 3 7.983 0.540 -9.617
31 HG22 THR 3 HG22 THR 3 7.278 1.304 -11.042
32 HG23 THR 3 HG23 THR 3 7.653 2.273 -9.616
33 H ILE 4 H ILE 4 5.686 3.896 -11.524
34 HA ILE 4 HA ILE 4 5.164 2.248 -13.873
35 HB ILE 4 HB ILE 4 3.991 5.018 -13.630
36 HG12 ILE 4 HG12 ILE 4 2.611 2.326 -13.553
37 HG13 ILE 4 HG13 ILE 4 2.787 3.430 -12.195
38 HG21 ILE 4 HG21 ILE 4 3.756 4.947 -15.835
39 HG22 ILE 4 HG22 ILE 4 4.631 3.416 -15.864
40 HG23 ILE 4 HG23 ILE 4 2.873 3.425 -15.715
41 HD11 ILE 4 HD11 ILE 4 1.569 5.080 -13.868
42 HD12 ILE 4 HD12 ILE 4 0.970 3.556 -14.523
43 HD13 ILE 4 HD13 ILE 4 0.682 3.962 -12.831
44 HH31 ALY 5 HH31 ALY 5 4.253 10.008 -16.231
45 HH32 ALY 5 HH32 ALY 5 3.220 9.066 -15.130
46 HH33 ALY 5 HH33 ALY 5 4.018 10.550 -14.554
47 HZ ALY 5 HZ ALY 5 6.851 7.930 -15.341
48 HE3 ALY 5 HE3 ALY 5 5.339 6.157 -15.586
49 HE2 ALY 5 HE2 ALY 5 4.319 7.163 -16.619
50 HD3 ALY 5 HD3 ALY 5 5.418 6.376 -18.407
51 HD2 ALY 5 HD2 ALY 5 6.879 7.184 -17.823
52 HG3 ALY 5 HG3 ALY 5 6.007 4.415 -16.925
53 HG2 ALY 5 HG2 ALY 5 7.130 4.704 -18.262
54 HB3 ALY 5 HB3 ALY 5 8.780 5.587 -16.865
55 HB2 ALY 5 HB2 ALY 5 7.637 5.966 -15.583
56 HCA ALY 5 HA ALY 5 8.642 3.200 -16.363
57 H ALY 5 H ALY 5 6.778 2.407 -15.273
58 H GLY 6 H GLY 6 8.854 2.488 -13.601
59 HA2 GLY 6 HA2 GLY 6 10.332 2.624 -11.847
60 HA3 GLY 6 HA3 GLY 6 11.465 3.213 -13.053
61 HH31 ALY 7 HH31 ALY 7 13.807 10.536 -15.828
62 HH32 ALY 7 HH32 ALY 7 14.684 9.079 -16.356
63 HH33 ALY 7 HH33 ALY 7 13.183 9.561 -17.180
64 HZ ALY 7 HZ ALY 7 11.332 7.728 -15.677
65 HE3 ALY 7 HE3 ALY 7 10.840 10.166 -14.100
66 HE2 ALY 7 HE2 ALY 7 9.596 9.063 -14.697
67 HD3 ALY 7 HD3 ALY 7 10.662 7.222 -13.362
68 HD2 ALY 7 HD2 ALY 7 11.783 8.412 -12.688
69 HG3 ALY 7 HG3 ALY 7 10.264 8.847 -11.095
70 HG2 ALY 7 HG2 ALY 7 9.229 9.547 -12.349
71 HB3 ALY 7 HB3 ALY 7 7.803 7.970 -11.499
72 HB2 ALY 7 HB2 ALY 7 8.559 7.051 -12.794
73 HCA ALY 7 HA ALY 7 10.146 6.745 -10.405
74 H ALY 7 H ALY 7 8.509 4.565 -11.562
75 H THR 8 H THR 8 9.323 7.611 -8.571
76 HA THR 8 HA THR 8 6.942 6.277 -7.487
77 HB THR 8 HB THR 8 8.414 7.893 -5.575
78 HG1 THR 8 HG1 THR 8 10.359 7.374 -6.223
79 HG21 THR 8 HG21 THR 8 8.257 4.917 -5.481
80 HG22 THR 8 HG22 THR 8 8.046 6.097 -4.188
81 HG23 THR 8 HG23 THR 8 6.762 5.845 -5.370
82 H TRP 9 H TRP 9 6.030 7.856 -5.589
83 HA TRP 9 HA TRP 9 5.892 10.607 -6.065
84 HB2 TRP 9 HB2 TRP 9 3.474 10.603 -6.967
85 HB3 TRP 9 HB3 TRP 9 4.782 10.302 -8.106
86 HD1 TRP 9 HD1 TRP 9 2.190 8.281 -6.049
87 HE1 TRP 9 HE1 TRP 9 1.600 6.161 -7.385
88 HE3 TRP 9 HE3 TRP 9 5.434 8.854 -9.959
89 HZ2 TRP 9 HZ2 TRP 9 2.402 4.899 -9.779
90 HZ3 TRP 9 HZ3 TRP 9 5.460 7.146 -11.730
91 HH2 TRP 9 HH2 TRP 9 3.976 5.210 -11.639
92 H ARG 10 H ARG 10 4.274 7.707 -4.939
93 HA ARG 10 HA ARG 10 3.166 7.229 -3.010
94 HB2 ARG 10 HB2 ARG 10 5.151 8.457 -2.033
95 HB3 ARG 10 HB3 ARG 10 4.137 9.894 -1.981
96 HG2 ARG 10 HG2 ARG 10 2.921 7.541 -0.745
97 HG3 ARG 10 HG3 ARG 10 4.410 8.081 0.033
98 HD2 ARG 10 HD2 ARG 10 2.335 10.098 -0.678
99 HD3 ARG 10 HD3 ARG 10 2.076 9.070 0.731
100 HE ARG 10 HE ARG 10 4.665 10.240 0.770
101 HH11 ARG 10 HH11 ARG 10 1.302 10.928 1.346
102 HH12 ARG 10 HH12 ARG 10 1.620 12.190 2.490
103 HH21 ARG 10 HH21 ARG 10 5.099 11.899 2.274
104 HH22 ARG 10 HH22 ARG 10 3.781 12.742 3.016
105 H THR 11 H THR 11 1.038 7.231 -3.357
106 HA THR 11 HA THR 11 -0.364 9.819 -3.468
107 HB THR 11 HB THR 11 -0.774 8.666 -5.501
108 HG1 THR 11 HG1 THR 11 -2.672 9.523 -4.554
109 HG21 THR 11 HG21 THR 11 -1.577 6.359 -5.609
110 HG22 THR 11 HG22 THR 11 -0.015 6.441 -4.794
111 HG23 THR 11 HG23 THR 11 -1.492 6.238 -3.852
112 HH31 ALY 12 HH31 ALY 12 -9.114 4.414 -3.901
113 HH32 ALY 12 HH32 ALY 12 -8.815 5.547 -5.240
114 HH33 ALY 12 HH33 ALY 12 -8.273 3.857 -5.366
115 HZ ALY 12 HZ ALY 12 -7.610 4.172 -2.500
116 HE3 ALY 12 HE3 ALY 12 -5.816 4.069 -1.192
117 HE2 ALY 12 HE2 ALY 12 -5.018 4.213 -2.761
118 HD3 ALY 12 HD3 ALY 12 -4.427 6.418 -2.425
119 HD2 ALY 12 HD2 ALY 12 -5.814 6.746 -1.378
120 HG3 ALY 12 HG3 ALY 12 -4.219 6.700 0.253
121 HG2 ALY 12 HG2 ALY 12 -4.528 4.958 0.181
122 HB3 ALY 12 HB3 ALY 12 -2.365 4.671 -0.265
123 HB2 ALY 12 HB2 ALY 12 -2.674 5.379 -1.845
124 HCA ALY 12 HA ALY 12 -2.350 7.561 -0.048
125 H ALY 12 H ALY 12 -0.426 6.550 -2.102
126 H GLN 13 H GLN 13 -2.266 5.540 1.737
127 HA GLN 13 HA GLN 13 0.497 5.712 2.717
128 HB2 GLN 13 HB2 GLN 13 -2.167 5.558 4.067
129 HB3 GLN 13 HB3 GLN 13 -0.744 4.967 4.913
130 HG2 GLN 13 HG2 GLN 13 -0.013 7.459 3.894
131 HG3 GLN 13 HG3 GLN 13 -1.650 7.663 4.515
132 HE21 GLN 13 HE21 GLN 13 1.028 8.598 5.457
133 HE22 GLN 13 HE22 GLN 13 1.108 8.105 7.111
134 H CYS 14 H CYS 14 1.264 3.929 1.502
135 HA CYS 14 HA CYS 14 0.172 1.400 1.343
136 HB2 CYS 14 HB2 CYS 14 2.426 2.508 0.398
137 HB3 CYS 14 HB3 CYS 14 3.116 1.556 1.710
138 HN1 NH2 15 H1 CYS 14 -0.299 -0.160 3.371
Start of MODEL 8
1 H1 ACE 0 H01 ACE 0 3.096 -0.255 -1.618
2 H2 ACE 0 H02 ACE 0 1.276 -0.728 -1.186
3 H TRP 1 H TRP 1 3.315 1.751 -2.579
4 HA TRP 1 HA TRP 1 0.900 3.003 -3.614
5 HB2 TRP 1 HB2 TRP 1 3.742 3.829 -4.199
6 HB3 TRP 1 HB3 TRP 1 2.283 4.811 -4.288
7 HD1 TRP 1 HD1 TRP 1 1.009 4.522 -1.521
8 HE1 TRP 1 HE1 TRP 1 2.192 5.333 0.616
9 HE3 TRP 1 HE3 TRP 1 5.831 4.533 -3.219
10 HZ2 TRP 1 HZ2 TRP 1 4.822 5.902 1.469
11 HZ3 TRP 1 HZ3 TRP 1 7.621 5.225 -1.680
12 HH2 TRP 1 HH2 TRP 1 7.126 5.895 0.615
13 H LYS 2 H LYS 2 1.664 3.958 -6.039
14 HA LYS 2 HA LYS 2 1.698 1.514 -7.650
15 HB2 LYS 2 HB2 LYS 2 -0.156 3.120 -7.979
16 HB3 LYS 2 HB3 LYS 2 1.010 4.348 -8.453
17 HG2 LYS 2 HG2 LYS 2 1.106 3.582 -10.535
18 HG3 LYS 2 HG3 LYS 2 1.314 1.915 -9.996
19 HD2 LYS 2 HD2 LYS 2 -1.233 2.076 -9.447
20 HD3 LYS 2 HD3 LYS 2 -1.200 3.424 -10.587
21 HE2 LYS 2 HE2 LYS 2 -1.178 2.026 -12.314
22 HE3 LYS 2 HE3 LYS 2 0.236 1.190 -11.671
23 HZ1 LYS 2 HZ1 LYS 2 -1.132 -0.268 -10.438
24 HZ2 LYS 2 HZ2 LYS 2 -2.525 0.643 -10.742
25 HZ3 LYS 2 HZ3 LYS 2 -1.787 -0.218 -11.998
26 H THR 3 H THR 3 3.069 1.271 -9.446
27 HA THR 3 HA THR 3 5.360 3.117 -9.553
28 HB THR 3 HB THR 3 5.600 0.117 -9.821
29 HG1 THR 3 HG1 THR 3 6.142 0.052 -7.724
30 HG21 THR 3 HG21 THR 3 8.039 0.689 -9.444
31 HG22 THR 3 HG22 THR 3 7.363 1.191 -10.994
32 HG23 THR 3 HG23 THR 3 7.593 2.375 -9.706
33 H ILE 4 H ILE 4 5.697 3.904 -11.520
34 HA ILE 4 HA ILE 4 5.177 2.251 -13.866
35 HB ILE 4 HB ILE 4 3.996 5.020 -13.625
36 HG12 ILE 4 HG12 ILE 4 2.626 2.323 -13.551
37 HG13 ILE 4 HG13 ILE 4 2.797 3.427 -12.192
38 HG21 ILE 4 HG21 ILE 4 3.738 4.948 -15.828
39 HG22 ILE 4 HG22 ILE 4 4.656 3.443 -15.860
40 HG23 ILE 4 HG23 ILE 4 2.899 3.402 -15.713
41 HD11 ILE 4 HD11 ILE 4 0.711 4.005 -12.810
42 HD12 ILE 4 HD12 ILE 4 1.584 5.057 -13.924
43 HD13 ILE 4 HD13 ILE 4 0.951 3.510 -14.486
44 HH31 ALY 5 HH31 ALY 5 3.994 9.778 -16.506
45 HH32 ALY 5 HH32 ALY 5 3.006 9.060 -15.211
46 HH33 ALY 5 HH33 ALY 5 3.790 10.638 -14.963
47 HZ ALY 5 HZ ALY 5 6.686 7.996 -15.264
48 HE3 ALY 5 HE3 ALY 5 5.291 6.189 -15.609
49 HE2 ALY 5 HE2 ALY 5 4.240 7.160 -16.644
50 HD3 ALY 5 HD3 ALY 5 5.381 6.455 -18.438
51 HD2 ALY 5 HD2 ALY 5 6.828 7.259 -17.813
52 HG3 ALY 5 HG3 ALY 5 5.962 4.472 -16.972
53 HG2 ALY 5 HG2 ALY 5 7.085 4.783 -18.304
54 HB3 ALY 5 HB3 ALY 5 8.731 5.653 -16.894
55 HB2 ALY 5 HB2 ALY 5 7.587 6.007 -15.606
56 HCA ALY 5 HA ALY 5 8.590 3.253 -16.432
57 H ALY 5 H ALY 5 6.713 2.468 -15.355
58 H GLY 6 H GLY 6 8.834 2.507 -13.681
59 HA2 GLY 6 HA2 GLY 6 10.333 2.619 -11.943
60 HA3 GLY 6 HA3 GLY 6 11.454 3.218 -13.157
61 HH31 ALY 7 HH31 ALY 7 13.273 7.127 -16.767
62 HH32 ALY 7 HH32 ALY 7 11.819 6.217 -16.292
63 HH33 ALY 7 HH33 ALY 7 11.811 7.197 -17.777
64 HZ ALY 7 HZ ALY 7 10.169 7.318 -15.502
65 HE3 ALY 7 HE3 ALY 7 10.110 10.083 -14.491
66 HE2 ALY 7 HE2 ALY 7 8.849 8.870 -14.248
67 HD3 ALY 7 HD3 ALY 7 10.911 7.473 -13.262
68 HD2 ALY 7 HD2 ALY 7 11.557 9.096 -12.983
69 HG3 ALY 7 HG3 ALY 7 10.403 8.689 -10.999
70 HG2 ALY 7 HG2 ALY 7 9.207 9.589 -11.944
71 HB3 ALY 7 HB3 ALY 7 7.825 7.889 -11.459
72 HB2 ALY 7 HB2 ALY 7 8.671 7.051 -12.753
73 HCA ALY 7 HA ALY 7 10.202 6.677 -10.364
74 H ALY 7 H ALY 7 8.558 4.501 -11.489
75 H THR 8 H THR 8 9.276 7.694 -8.599
76 HA THR 8 HA THR 8 6.942 6.291 -7.483
77 HB THR 8 HB THR 8 8.404 7.910 -5.569
78 HG1 THR 8 HG1 THR 8 10.287 7.463 -6.564
79 HG21 THR 8 HG21 THR 8 6.766 5.863 -5.355
80 HG22 THR 8 HG22 THR 8 8.256 4.930 -5.496
81 HG23 THR 8 HG23 THR 8 8.067 6.099 -4.188
82 H TRP 9 H TRP 9 6.027 7.869 -5.585
83 HA TRP 9 HA TRP 9 5.879 10.618 -6.064
84 HB2 TRP 9 HB2 TRP 9 3.460 10.604 -6.965
85 HB3 TRP 9 HB3 TRP 9 4.770 10.308 -8.105
86 HD1 TRP 9 HD1 TRP 9 2.186 8.278 -6.045
87 HE1 TRP 9 HE1 TRP 9 1.603 6.156 -7.378
88 HE3 TRP 9 HE3 TRP 9 5.424 8.861 -9.958
89 HZ2 TRP 9 HZ2 TRP 9 2.407 4.896 -9.772
90 HZ3 TRP 9 HZ3 TRP 9 5.455 7.152 -11.728
91 HH2 TRP 9 HH2 TRP 9 3.978 5.211 -11.634
92 H ARG 10 H ARG 10 4.272 7.714 -4.934
93 HA ARG 10 HA ARG 10 3.166 7.234 -3.005
94 HB2 ARG 10 HB2 ARG 10 5.146 8.472 -2.029
95 HB3 ARG 10 HB3 ARG 10 4.127 9.903 -1.978
96 HG2 ARG 10 HG2 ARG 10 2.920 7.548 -0.740
97 HG3 ARG 10 HG3 ARG 10 4.407 8.094 0.037
98 HD2 ARG 10 HD2 ARG 10 3.470 10.361 0.197
99 HD3 ARG 10 HD3 ARG 10 1.977 9.782 -0.540
100 HE ARG 10 HE ARG 10 1.364 8.915 1.483
101 HH11 ARG 10 HH11 ARG 10 4.785 9.560 1.519
102 HH12 ARG 10 HH12 ARG 10 4.965 9.209 3.206
103 HH21 ARG 10 HH21 ARG 10 1.589 8.451 3.705
104 HH22 ARG 10 HH22 ARG 10 3.147 8.578 4.449
105 H THR 11 H THR 11 1.037 7.227 -3.351
106 HA THR 11 HA THR 11 -0.374 9.810 -3.463
107 HB THR 11 HB THR 11 -0.779 8.656 -5.496
108 HG1 THR 11 HG1 THR 11 -3.019 7.991 -3.874
109 HG21 THR 11 HG21 THR 11 -1.490 6.226 -3.850
110 HG22 THR 11 HG22 THR 11 -1.572 6.347 -5.608
111 HG23 THR 11 HG23 THR 11 -0.012 6.434 -4.789
112 HH31 ALY 12 HH31 ALY 12 -9.737 6.067 -0.520
113 HH32 ALY 12 HH32 ALY 12 -9.065 5.000 0.736
114 HH33 ALY 12 HH33 ALY 12 -8.457 6.664 0.562
115 HZ ALY 12 HZ ALY 12 -6.551 3.950 -1.386
116 HE3 ALY 12 HE3 ALY 12 -6.258 5.267 1.102
117 HE2 ALY 12 HE2 ALY 12 -6.292 3.511 1.289
118 HD3 ALY 12 HD3 ALY 12 -4.059 3.712 0.873
119 HD2 ALY 12 HD2 ALY 12 -4.602 3.678 -0.811
120 HG3 ALY 12 HG3 ALY 12 -4.740 6.210 -0.716
121 HG2 ALY 12 HG2 ALY 12 -3.959 6.127 0.871
122 HB3 ALY 12 HB3 ALY 12 -2.228 4.612 -0.477
123 HB2 ALY 12 HB2 ALY 12 -2.858 5.515 -1.848
124 HCA ALY 12 HA ALY 12 -2.356 7.542 -0.047
125 H ALY 12 H ALY 12 -0.425 6.540 -2.100
126 H GLN 13 H GLN 13 -2.263 5.523 1.739
127 HA GLN 13 HA GLN 13 0.500 5.712 2.722
128 HB2 GLN 13 HB2 GLN 13 -2.006 5.076 4.287
129 HB3 GLN 13 HB3 GLN 13 -0.405 5.391 4.947
130 HG2 GLN 13 HG2 GLN 13 -0.642 7.678 3.750
131 HG3 GLN 13 HG3 GLN 13 -2.362 7.295 3.745
132 HE21 GLN 13 HE21 GLN 13 0.071 8.753 5.436
133 HE22 GLN 13 HE22 GLN 13 -0.663 8.803 6.999
134 H CYS 14 H CYS 14 1.272 3.930 1.507
135 HA CYS 14 HA CYS 14 0.193 1.395 1.356
136 HB2 CYS 14 HB2 CYS 14 2.440 2.512 0.403
137 HB3 CYS 14 HB3 CYS 14 3.136 1.567 1.715
138 HN1 NH2 15 H1 CYS 14 2.052 -0.582 3.105
Start of MODEL 9
1 H1 ACE 0 H01 ACE 0 3.141 -0.137 -1.523
2 H2 ACE 0 H02 ACE 0 1.351 -0.698 -1.149
3 H TRP 1 H TRP 1 3.334 1.791 -2.573
4 HA TRP 1 HA TRP 1 0.901 3.034 -3.589
5 HB2 TRP 1 HB2 TRP 1 3.732 3.888 -4.186
6 HB3 TRP 1 HB3 TRP 1 2.263 4.855 -4.270
7 HD1 TRP 1 HD1 TRP 1 1.006 4.560 -1.495
8 HE1 TRP 1 HE1 TRP 1 2.192 5.388 0.633
9 HE3 TRP 1 HE3 TRP 1 5.818 4.616 -3.218
10 HZ2 TRP 1 HZ2 TRP 1 4.820 5.987 1.470
11 HZ3 TRP 1 HZ3 TRP 1 7.610 5.329 -1.690
12 HH2 TRP 1 HH2 TRP 1 7.120 6.000 0.606
13 H LYS 2 H LYS 2 1.655 3.984 -6.021
14 HA LYS 2 HA LYS 2 1.699 1.533 -7.619
15 HB2 LYS 2 HB2 LYS 2 -0.150 3.147 -7.957
16 HB3 LYS 2 HB3 LYS 2 1.023 4.363 -8.445
17 HG2 LYS 2 HG2 LYS 2 1.081 3.589 -10.522
18 HG3 LYS 2 HG3 LYS 2 1.339 1.931 -9.970
19 HD2 LYS 2 HD2 LYS 2 -1.206 2.036 -9.390
20 HD3 LYS 2 HD3 LYS 2 -1.219 3.366 -10.552
21 HE2 LYS 2 HE2 LYS 2 0.117 1.616 -12.019
22 HE3 LYS 2 HE3 LYS 2 -0.718 0.464 -10.979
23 HZ1 LYS 2 HZ1 LYS 2 -1.790 2.225 -13.032
24 HZ2 LYS 2 HZ2 LYS 2 -2.292 0.680 -12.559
25 HZ3 LYS 2 HZ3 LYS 2 -2.740 2.032 -11.645
26 H THR 3 H THR 3 3.083 1.269 -9.398
27 HA THR 3 HA THR 3 5.370 3.118 -9.519
28 HB THR 3 HB THR 3 5.641 0.122 -9.778
29 HG1 THR 3 HG1 THR 3 6.105 1.804 -7.521
30 HG21 THR 3 HG21 THR 3 7.360 2.317 -10.346
31 HG22 THR 3 HG22 THR 3 8.014 1.454 -8.953
32 HG23 THR 3 HG23 THR 3 7.708 0.592 -10.462
33 H ILE 4 H ILE 4 5.703 3.885 -11.494
34 HA ILE 4 HA ILE 4 5.205 2.199 -13.819
35 HB ILE 4 HB ILE 4 4.013 4.965 -13.628
36 HG12 ILE 4 HG12 ILE 4 2.648 2.267 -13.499
37 HG13 ILE 4 HG13 ILE 4 2.817 3.399 -12.162
38 HG21 ILE 4 HG21 ILE 4 3.716 4.847 -15.826
39 HG22 ILE 4 HG22 ILE 4 4.695 3.380 -15.834
40 HG23 ILE 4 HG23 ILE 4 2.941 3.269 -15.681
41 HD11 ILE 4 HD11 ILE 4 0.630 3.670 -12.947
42 HD12 ILE 4 HD12 ILE 4 1.526 5.045 -13.594
43 HD13 ILE 4 HD13 ILE 4 1.146 3.672 -14.633
44 HH31 ALY 5 HH31 ALY 5 4.522 10.140 -13.639
45 HH32 ALY 5 HH32 ALY 5 3.696 9.540 -15.097
46 HH33 ALY 5 HH33 ALY 5 3.591 8.626 -13.574
47 HZ ALY 5 HZ ALY 5 6.614 8.321 -16.070
48 HE3 ALY 5 HE3 ALY 5 5.242 6.133 -15.683
49 HE2 ALY 5 HE2 ALY 5 4.165 6.962 -16.809
50 HD3 ALY 5 HD3 ALY 5 5.468 6.385 -18.538
51 HD2 ALY 5 HD2 ALY 5 6.854 7.195 -17.795
52 HG3 ALY 5 HG3 ALY 5 5.967 4.411 -16.981
53 HG2 ALY 5 HG2 ALY 5 7.109 4.692 -18.305
54 HB3 ALY 5 HB3 ALY 5 8.732 5.607 -16.885
55 HB2 ALY 5 HB2 ALY 5 7.568 5.955 -15.614
56 HCA ALY 5 HA ALY 5 8.597 3.204 -16.414
57 H ALY 5 H ALY 5 6.712 2.429 -15.345
58 H GLY 6 H GLY 6 8.845 2.483 -13.657
59 HA2 GLY 6 HA2 GLY 6 10.344 2.617 -11.920
60 HA3 GLY 6 HA3 GLY 6 11.461 3.211 -13.140
61 HH31 ALY 7 HH31 ALY 7 9.171 12.382 -17.121
62 HH32 ALY 7 HH32 ALY 7 10.306 12.892 -15.848
63 HH33 ALY 7 HH33 ALY 7 10.656 11.447 -16.827
64 HZ ALY 7 HZ ALY 7 9.620 10.880 -13.558
65 HE3 ALY 7 HE3 ALY 7 8.846 8.681 -14.369
66 HE2 ALY 7 HE2 ALY 7 10.354 8.617 -15.284
67 HD3 ALY 7 HD3 ALY 7 10.844 7.431 -13.312
68 HD2 ALY 7 HD2 ALY 7 11.541 9.031 -13.028
69 HG3 ALY 7 HG3 ALY 7 10.407 8.672 -11.034
70 HG2 ALY 7 HG2 ALY 7 9.197 9.569 -11.965
71 HB3 ALY 7 HB3 ALY 7 7.818 7.877 -11.445
72 HB2 ALY 7 HB2 ALY 7 8.643 7.023 -12.741
73 HCA ALY 7 HA ALY 7 10.201 6.678 -10.359
74 H ALY 7 H ALY 7 8.569 4.478 -11.452
75 H THR 8 H THR 8 9.238 7.750 -8.628
76 HA THR 8 HA THR 8 6.931 6.323 -7.480
77 HB THR 8 HB THR 8 8.409 7.980 -5.599
78 HG1 THR 8 HG1 THR 8 9.859 5.721 -6.445
79 HG21 THR 8 HG21 THR 8 6.766 5.848 -5.444
80 HG22 THR 8 HG22 THR 8 8.329 5.039 -5.333
81 HG23 THR 8 HG23 THR 8 7.902 6.295 -4.172
82 H TRP 9 H TRP 9 5.995 7.904 -5.605
83 HA TRP 9 HA TRP 9 5.832 10.651 -6.102
84 HB2 TRP 9 HB2 TRP 9 3.415 10.614 -7.009
85 HB3 TRP 9 HB3 TRP 9 4.731 10.319 -8.143
86 HD1 TRP 9 HD1 TRP 9 2.153 8.287 -6.081
87 HE1 TRP 9 HE1 TRP 9 1.590 6.151 -7.402
88 HE3 TRP 9 HE3 TRP 9 5.408 8.864 -9.981
89 HZ2 TRP 9 HZ2 TRP 9 2.417 4.878 -9.782
90 HZ3 TRP 9 HZ3 TRP 9 5.460 7.141 -11.738
91 HH2 TRP 9 HH2 TRP 9 3.995 5.190 -11.638
92 H ARG 10 H ARG 10 4.238 7.744 -4.958
93 HA ARG 10 HA ARG 10 3.128 7.271 -3.030
94 HB2 ARG 10 HB2 ARG 10 5.100 8.519 -2.054
95 HB3 ARG 10 HB3 ARG 10 4.078 9.949 -2.017
96 HG2 ARG 10 HG2 ARG 10 2.876 7.595 -0.767
97 HG3 ARG 10 HG3 ARG 10 4.355 8.160 0.014
98 HD2 ARG 10 HD2 ARG 10 2.308 10.180 -0.730
99 HD3 ARG 10 HD3 ARG 10 1.971 9.131 0.646
100 HE ARG 10 HE ARG 10 4.482 10.047 1.128
101 HH11 ARG 10 HH11 ARG 10 1.430 11.574 0.439
102 HH12 ARG 10 HH12 ARG 10 1.790 13.002 1.352
103 HH21 ARG 10 HH21 ARG 10 4.967 11.921 2.334
104 HH22 ARG 10 HH22 ARG 10 3.803 13.199 2.429
105 H THR 11 H THR 11 1.000 7.254 -3.389
106 HA THR 11 HA THR 11 -0.420 9.829 -3.538
107 HB THR 11 HB THR 11 -0.833 8.625 -5.539
108 HG1 THR 11 HG1 THR 11 -2.727 9.490 -4.501
109 HG21 THR 11 HG21 THR 11 -1.632 6.307 -5.579
110 HG22 THR 11 HG22 THR 11 -0.053 6.424 -4.801
111 HG23 THR 11 HG23 THR 11 -1.507 6.232 -3.821
112 HH31 ALY 12 HH31 ALY 12 -4.574 3.317 -4.916
113 HH32 ALY 12 HH32 ALY 12 -3.030 2.739 -5.587
114 HH33 ALY 12 HH33 ALY 12 -4.568 2.098 -6.213
115 HZ ALY 12 HZ ALY 12 -3.959 0.905 -2.458
116 HE3 ALY 12 HE3 ALY 12 -2.210 1.941 -1.615
117 HE2 ALY 12 HE2 ALY 12 -1.740 2.081 -3.313
118 HD3 ALY 12 HD3 ALY 12 -2.011 4.312 -3.293
119 HD2 ALY 12 HD2 ALY 12 -3.629 4.174 -2.591
120 HG3 ALY 12 HG3 ALY 12 -2.222 3.604 -0.389
121 HG2 ALY 12 HG2 ALY 12 -0.977 4.534 -1.237
122 HB3 ALY 12 HB3 ALY 12 -3.411 5.961 -1.527
123 HB2 ALY 12 HB2 ALY 12 -3.340 5.450 0.155
124 HCA ALY 12 HA ALY 12 -2.347 7.655 -0.034
125 H ALY 12 H ALY 12 -0.439 6.601 -2.080
126 H GLN 13 H GLN 13 -2.266 5.657 1.778
127 HA GLN 13 HA GLN 13 0.510 5.812 2.724
128 HB2 GLN 13 HB2 GLN 13 -2.118 5.968 4.030
129 HB3 GLN 13 HB3 GLN 13 -0.947 4.968 4.881
130 HG2 GLN 13 HG2 GLN 13 0.608 6.808 4.988
131 HG3 GLN 13 HG3 GLN 13 -0.474 7.814 4.026
132 HE21 GLN 13 HE21 GLN 13 -1.873 9.057 5.063
133 HE22 GLN 13 HE22 GLN 13 -2.288 8.930 6.736
134 H CYS 14 H CYS 14 1.297 4.012 1.588
135 HA CYS 14 HA CYS 14 0.182 1.492 1.415
136 HB2 CYS 14 HB2 CYS 14 2.506 2.594 0.574
137 HB3 CYS 14 HB3 CYS 14 3.106 1.563 1.869
138 HN1 NH2 15 H1 CYS 14 -0.518 1.727 4.415
Start of MODEL 10
1 H1 ACE 0 H01 ACE 0 3.079 -0.229 -1.619
2 H2 ACE 0 H02 ACE 0 1.266 -0.728 -1.211
3 H TRP 1 H TRP 1 3.298 1.755 -2.599
4 HA TRP 1 HA TRP 1 0.883 3.019 -3.622
5 HB2 TRP 1 HB2 TRP 1 3.725 3.841 -4.206
6 HB3 TRP 1 HB3 TRP 1 2.268 4.827 -4.293
7 HD1 TRP 1 HD1 TRP 1 0.994 4.532 -1.526
8 HE1 TRP 1 HE1 TRP 1 2.179 5.336 0.613
9 HE3 TRP 1 HE3 TRP 1 5.816 4.542 -3.225
10 HZ2 TRP 1 HZ2 TRP 1 4.809 5.901 1.466
11 HZ3 TRP 1 HZ3 TRP 1 7.607 5.228 -1.684
12 HH2 TRP 1 HH2 TRP 1 7.112 5.893 0.612
13 H LYS 2 H LYS 2 1.647 3.980 -6.046
14 HA LYS 2 HA LYS 2 1.668 1.540 -7.663
15 HB2 LYS 2 HB2 LYS 2 -0.170 3.166 -7.990
16 HB3 LYS 2 HB3 LYS 2 1.009 4.383 -8.460
17 HG2 LYS 2 HG2 LYS 2 1.063 3.636 -10.547
18 HG3 LYS 2 HG3 LYS 2 1.323 1.973 -10.017
19 HD2 LYS 2 HD2 LYS 2 -1.258 2.179 -9.408
20 HD3 LYS 2 HD3 LYS 2 -1.200 3.388 -10.692
21 HE2 LYS 2 HE2 LYS 2 -0.376 1.782 -12.259
22 HE3 LYS 2 HE3 LYS 2 -0.147 0.580 -10.989
23 HZ1 LYS 2 HZ1 LYS 2 -2.506 1.230 -12.471
24 HZ2 LYS 2 HZ2 LYS 2 -2.160 -0.142 -11.542
25 HZ3 LYS 2 HZ3 LYS 2 -2.781 1.248 -10.801
26 H THR 3 H THR 3 3.050 1.277 -9.441
27 HA THR 3 HA THR 3 5.352 3.109 -9.549
28 HB THR 3 HB THR 3 5.594 0.113 -9.837
29 HG1 THR 3 HG1 THR 3 5.843 -0.010 -7.732
30 HG21 THR 3 HG21 THR 3 7.534 0.796 -10.764
31 HG22 THR 3 HG22 THR 3 7.416 2.410 -10.066
32 HG23 THR 3 HG23 THR 3 8.028 1.073 -9.094
33 H ILE 4 H ILE 4 5.661 3.907 -11.514
34 HA ILE 4 HA ILE 4 5.162 2.245 -13.859
35 HB ILE 4 HB ILE 4 3.981 5.014 -13.649
36 HG12 ILE 4 HG12 ILE 4 2.586 2.332 -13.522
37 HG13 ILE 4 HG13 ILE 4 2.803 3.435 -12.167
38 HG21 ILE 4 HG21 ILE 4 4.620 3.393 -15.855
39 HG22 ILE 4 HG22 ILE 4 2.865 3.344 -15.688
40 HG23 ILE 4 HG23 ILE 4 3.691 4.893 -15.846
41 HD11 ILE 4 HD11 ILE 4 1.564 5.112 -13.758
42 HD12 ILE 4 HD12 ILE 4 0.973 3.623 -14.495
43 HD13 ILE 4 HD13 ILE 4 0.671 3.940 -12.788
44 HH31 ALY 5 HH31 ALY 5 6.460 10.808 -14.307
45 HH32 ALY 5 HH32 ALY 5 4.913 10.666 -15.177
46 HH33 ALY 5 HH33 ALY 5 5.024 10.173 -13.471
47 HZ ALY 5 HZ ALY 5 5.972 8.806 -16.737
48 HE3 ALY 5 HE3 ALY 5 5.543 6.364 -15.439
49 HE2 ALY 5 HE2 ALY 5 4.194 6.705 -16.526
50 HD3 ALY 5 HD3 ALY 5 5.460 6.451 -18.399
51 HD2 ALY 5 HD2 ALY 5 6.871 7.237 -17.678
52 HG3 ALY 5 HG3 ALY 5 5.976 4.456 -16.871
53 HG2 ALY 5 HG2 ALY 5 7.079 4.735 -18.226
54 HB3 ALY 5 HB3 ALY 5 8.761 5.602 -16.852
55 HB2 ALY 5 HB2 ALY 5 7.643 5.981 -15.549
56 HCA ALY 5 HA ALY 5 8.626 3.218 -16.362
57 H ALY 5 H ALY 5 6.772 2.411 -15.262
58 H GLY 6 H GLY 6 8.849 2.480 -13.607
59 HA2 GLY 6 HA2 GLY 6 10.335 2.598 -11.857
60 HA3 GLY 6 HA3 GLY 6 11.464 3.193 -13.064
61 HH31 ALY 7 HH31 ALY 7 14.329 9.241 -15.482
62 HH32 ALY 7 HH32 ALY 7 14.026 10.914 -16.011
63 HH33 ALY 7 HH33 ALY 7 14.795 10.603 -14.437
64 HZ ALY 7 HZ ALY 7 12.282 8.543 -15.283
65 HE3 ALY 7 HE3 ALY 7 9.968 9.953 -14.130
66 HE2 ALY 7 HE2 ALY 7 9.883 8.432 -15.022
67 HD3 ALY 7 HD3 ALY 7 10.730 7.197 -13.287
68 HD2 ALY 7 HD2 ALY 7 11.786 8.503 -12.730
69 HG3 ALY 7 HG3 ALY 7 10.303 8.802 -11.062
70 HG2 ALY 7 HG2 ALY 7 9.249 9.534 -12.282
71 HB3 ALY 7 HB3 ALY 7 7.825 7.948 -11.460
72 HB2 ALY 7 HB2 ALY 7 8.574 7.038 -12.764
73 HCA ALY 7 HA ALY 7 10.168 6.708 -10.384
74 H ALY 7 H ALY 7 8.519 4.543 -11.551
75 H THR 8 H THR 8 9.292 7.662 -8.589
76 HA THR 8 HA THR 8 6.936 6.291 -7.484
77 HB THR 8 HB THR 8 8.405 7.909 -5.573
78 HG1 THR 8 HG1 THR 8 10.238 7.421 -6.750
79 HG21 THR 8 HG21 THR 8 8.043 6.113 -4.186
80 HG22 THR 8 HG22 THR 8 6.759 5.857 -5.367
81 HG23 THR 8 HG23 THR 8 8.257 4.933 -5.479
82 H TRP 9 H TRP 9 6.021 7.869 -5.589
83 HA TRP 9 HA TRP 9 5.881 10.619 -6.065
84 HB2 TRP 9 HB2 TRP 9 3.463 10.613 -6.971
85 HB3 TRP 9 HB3 TRP 9 4.775 10.315 -8.108
86 HD1 TRP 9 HD1 TRP 9 2.184 8.286 -6.056
87 HE1 TRP 9 HE1 TRP 9 1.598 6.167 -7.395
88 HE3 TRP 9 HE3 TRP 9 5.429 8.871 -9.963
89 HZ2 TRP 9 HZ2 TRP 9 2.405 4.910 -9.790
90 HZ3 TRP 9 HZ3 TRP 9 5.460 7.166 -11.737
91 HH2 TRP 9 HH2 TRP 9 3.979 5.226 -11.649
92 H ARG 10 H ARG 10 4.264 7.717 -4.941
93 HA ARG 10 HA ARG 10 3.152 7.238 -3.015
94 HB2 ARG 10 HB2 ARG 10 5.134 8.469 -2.034
95 HB3 ARG 10 HB3 ARG 10 4.120 9.905 -1.985
96 HG2 ARG 10 HG2 ARG 10 2.903 7.550 -0.751
97 HG3 ARG 10 HG3 ARG 10 4.390 8.093 0.030
98 HD2 ARG 10 HD2 ARG 10 2.026 9.856 -0.597
99 HD3 ARG 10 HD3 ARG 10 2.347 9.127 0.976
100 HE ARG 10 HE ARG 10 4.632 10.494 0.378
101 HH11 ARG 10 HH11 ARG 10 1.259 11.322 0.618
102 HH12 ARG 10 HH12 ARG 10 1.560 12.955 1.113
103 HH21 ARG 10 HH21 ARG 10 5.042 12.642 1.030
104 HH22 ARG 10 HH22 ARG 10 3.713 13.705 1.347
105 H THR 11 H THR 11 1.025 7.237 -3.368
106 HA THR 11 HA THR 11 -0.380 9.824 -3.483
107 HB THR 11 HB THR 11 -0.787 8.665 -5.514
108 HG1 THR 11 HG1 THR 11 -3.040 7.974 -3.932
109 HG21 THR 11 HG21 THR 11 -1.589 6.357 -5.616
110 HG22 THR 11 HG22 THR 11 -0.026 6.444 -4.803
111 HG23 THR 11 HG23 THR 11 -1.501 6.240 -3.859
112 HH31 ALY 12 HH31 ALY 12 -9.013 1.482 1.485
113 HH32 ALY 12 HH32 ALY 12 -8.359 1.794 -0.141
114 HH33 ALY 12 HH33 ALY 12 -7.745 0.427 0.818
115 HZ ALY 12 HZ ALY 12 -7.720 3.980 0.787
116 HE3 ALY 12 HE3 ALY 12 -6.172 5.494 1.194
117 HE2 ALY 12 HE2 ALY 12 -5.606 4.283 2.347
118 HD3 ALY 12 HD3 ALY 12 -3.696 4.028 1.203
119 HD2 ALY 12 HD2 ALY 12 -4.598 3.599 -0.258
120 HG3 ALY 12 HG3 ALY 12 -4.832 5.955 -0.855
121 HG2 ALY 12 HG2 ALY 12 -4.060 6.449 0.659
122 HB3 ALY 12 HB3 ALY 12 -2.260 4.643 -0.477
123 HB2 ALY 12 HB2 ALY 12 -2.873 5.542 -1.857
124 HCA ALY 12 HA ALY 12 -2.362 7.573 -0.058
125 H ALY 12 H ALY 12 -0.437 6.559 -2.108
126 H GLN 13 H GLN 13 -2.280 5.554 1.730
127 HA GLN 13 HA GLN 13 0.483 5.724 2.709
128 HB2 GLN 13 HB2 GLN 13 -0.580 5.159 4.938
129 HB3 GLN 13 HB3 GLN 13 -1.001 6.726 4.260
130 HG2 GLN 13 HG2 GLN 13 -3.165 6.157 3.912
131 HG3 GLN 13 HG3 GLN 13 -2.788 4.459 3.621
132 HE21 GLN 13 HE21 GLN 13 -4.794 5.773 5.359
133 HE22 GLN 13 HE22 GLN 13 -4.524 5.122 6.935
134 H CYS 14 H CYS 14 1.255 3.939 1.509
135 HA CYS 14 HA CYS 14 0.160 1.411 1.346
136 HB2 CYS 14 HB2 CYS 14 2.430 2.520 0.425
137 HB3 CYS 14 HB3 CYS 14 3.100 1.548 1.732
138 HN1 NH2 15 H1 CYS 14 -0.708 0.456 3.448
Start of MODEL 11
1 H1 ACE 0 H01 ACE 0 3.188 -0.178 -1.544
2 H2 ACE 0 H02 ACE 0 1.377 -0.672 -1.103
3 H TRP 1 H TRP 1 3.381 1.814 -2.535
4 HA TRP 1 HA TRP 1 0.948 3.030 -3.568
5 HB2 TRP 1 HB2 TRP 1 3.777 3.879 -4.177
6 HB3 TRP 1 HB3 TRP 1 2.308 4.846 -4.270
7 HD1 TRP 1 HD1 TRP 1 1.050 4.574 -1.493
8 HE1 TRP 1 HE1 TRP 1 2.235 5.421 0.629
9 HE3 TRP 1 HE3 TRP 1 5.863 4.617 -3.215
10 HZ2 TRP 1 HZ2 TRP 1 4.863 6.027 1.462
11 HZ3 TRP 1 HZ3 TRP 1 7.654 5.344 -1.692
12 HH2 TRP 1 HH2 TRP 1 7.162 6.035 0.597
13 H LYS 2 H LYS 2 1.690 3.967 -6.008
14 HA LYS 2 HA LYS 2 1.739 1.505 -7.593
15 HB2 LYS 2 HB2 LYS 2 -0.130 3.092 -7.930
16 HB3 LYS 2 HB3 LYS 2 1.024 4.324 -8.423
17 HG2 LYS 2 HG2 LYS 2 1.107 3.542 -10.499
18 HG3 LYS 2 HG3 LYS 2 1.351 1.884 -9.943
19 HD2 LYS 2 HD2 LYS 2 -1.229 2.116 -9.347
20 HD3 LYS 2 HD3 LYS 2 -1.158 3.311 -10.645
21 HE2 LYS 2 HE2 LYS 2 -1.368 1.620 -12.077
22 HE3 LYS 2 HE3 LYS 2 0.263 1.132 -11.622
23 HZ1 LYS 2 HZ1 LYS 2 -2.315 0.082 -10.656
24 HZ2 LYS 2 HZ2 LYS 2 -0.978 -0.764 -11.257
25 HZ3 LYS 2 HZ3 LYS 2 -0.922 -0.081 -9.710
26 H THR 3 H THR 3 3.108 1.250 -9.386
27 HA THR 3 HA THR 3 5.381 3.116 -9.527
28 HB THR 3 HB THR 3 5.612 0.106 -9.701
29 HG1 THR 3 HG1 THR 3 5.228 0.773 -7.555
30 HG21 THR 3 HG21 THR 3 7.303 1.163 -11.029
31 HG22 THR 3 HG22 THR 3 7.657 2.325 -9.750
32 HG23 THR 3 HG23 THR 3 8.058 0.622 -9.530
33 H ILE 4 H ILE 4 5.688 3.888 -11.504
34 HA ILE 4 HA ILE 4 5.182 2.200 -13.827
35 HB ILE 4 HB ILE 4 3.973 4.957 -13.625
36 HG12 ILE 4 HG12 ILE 4 2.618 2.255 -13.495
37 HG13 ILE 4 HG13 ILE 4 2.810 3.368 -12.146
38 HG21 ILE 4 HG21 ILE 4 4.651 3.386 -15.837
39 HG22 ILE 4 HG22 ILE 4 2.900 3.241 -15.668
40 HG23 ILE 4 HG23 ILE 4 3.643 4.834 -15.818
41 HD11 ILE 4 HD11 ILE 4 0.944 4.406 -12.702
42 HD12 ILE 4 HD12 ILE 4 1.562 4.728 -14.322
43 HD13 ILE 4 HD13 ILE 4 0.702 3.224 -13.989
44 HH31 ALY 5 HH31 ALY 5 3.820 9.814 -15.009
45 HH32 ALY 5 HH32 ALY 5 3.700 8.915 -13.477
46 HH33 ALY 5 HH33 ALY 5 4.865 10.251 -13.637
47 HZ ALY 5 HZ ALY 5 6.385 8.456 -16.272
48 HE3 ALY 5 HE3 ALY 5 5.178 6.135 -15.714
49 HE2 ALY 5 HE2 ALY 5 4.089 6.867 -16.896
50 HD3 ALY 5 HD3 ALY 5 5.488 6.387 -18.582
51 HD2 ALY 5 HD2 ALY 5 6.830 7.197 -17.763
52 HG3 ALY 5 HG3 ALY 5 5.934 4.414 -16.976
53 HG2 ALY 5 HG2 ALY 5 7.080 4.677 -18.298
54 HB3 ALY 5 HB3 ALY 5 8.695 5.620 -16.879
55 HB2 ALY 5 HB2 ALY 5 7.526 5.952 -15.609
56 HCA ALY 5 HA ALY 5 8.573 3.210 -16.419
57 H ALY 5 H ALY 5 6.718 2.410 -15.317
58 H GLY 6 H GLY 6 8.841 2.488 -13.664
59 HA2 GLY 6 HA2 GLY 6 10.349 2.628 -11.935
60 HA3 GLY 6 HA3 GLY 6 11.457 3.226 -13.161
61 HH31 ALY 7 HH31 ALY 7 10.241 7.422 -18.216
62 HH32 ALY 7 HH32 ALY 7 11.910 8.031 -18.330
63 HH33 ALY 7 HH33 ALY 7 11.492 6.800 -17.115
64 HZ ALY 7 HZ ALY 7 10.409 7.483 -15.336
65 HE3 ALY 7 HE3 ALY 7 10.565 10.163 -14.539
66 HE2 ALY 7 HE2 ALY 7 8.975 9.508 -14.137
67 HD3 ALY 7 HD3 ALY 7 10.738 7.478 -13.384
68 HD2 ALY 7 HD2 ALY 7 11.590 8.959 -12.929
69 HG3 ALY 7 HG3 ALY 7 10.343 8.728 -11.029
70 HG2 ALY 7 HG2 ALY 7 9.142 9.593 -12.000
71 HB3 ALY 7 HB3 ALY 7 7.790 7.873 -11.494
72 HB2 ALY 7 HB2 ALY 7 8.651 7.042 -12.782
73 HCA ALY 7 HA ALY 7 10.190 6.701 -10.398
74 H ALY 7 H ALY 7 8.556 4.503 -11.496
75 H THR 8 H THR 8 9.240 7.762 -8.657
76 HA THR 8 HA THR 8 6.937 6.335 -7.503
77 HB THR 8 HB THR 8 8.391 7.992 -5.616
78 HG1 THR 8 HG1 THR 8 10.344 7.502 -6.265
79 HG21 THR 8 HG21 THR 8 8.048 6.214 -4.209
80 HG22 THR 8 HG22 THR 8 6.781 5.904 -5.398
81 HG23 THR 8 HG23 THR 8 8.304 5.019 -5.481
82 H TRP 9 H TRP 9 6.014 7.924 -5.621
83 HA TRP 9 HA TRP 9 5.835 10.667 -6.130
84 HB2 TRP 9 HB2 TRP 9 3.413 10.618 -7.019
85 HB3 TRP 9 HB3 TRP 9 4.720 10.322 -8.162
86 HD1 TRP 9 HD1 TRP 9 2.167 8.288 -6.067
87 HE1 TRP 9 HE1 TRP 9 1.600 6.145 -7.375
88 HE3 TRP 9 HE3 TRP 9 5.381 8.863 -10.002
89 HZ2 TRP 9 HZ2 TRP 9 2.408 4.866 -9.758
90 HZ3 TRP 9 HZ3 TRP 9 5.423 7.134 -11.753
91 HH2 TRP 9 HH2 TRP 9 3.966 5.178 -11.631
92 H ARG 10 H ARG 10 4.263 7.759 -4.960
93 HA ARG 10 HA ARG 10 3.170 7.289 -3.021
94 HB2 ARG 10 HB2 ARG 10 5.142 8.559 -2.067
95 HB3 ARG 10 HB3 ARG 10 4.109 9.980 -2.029
96 HG2 ARG 10 HG2 ARG 10 2.930 7.628 -0.759
97 HG3 ARG 10 HG3 ARG 10 4.415 8.197 0.006
98 HD2 ARG 10 HD2 ARG 10 3.490 10.183 0.642
99 HD3 ARG 10 HD3 ARG 10 2.374 10.223 -0.723
100 HE ARG 10 HE ARG 10 1.687 8.119 1.030
101 HH11 ARG 10 HH11 ARG 10 1.605 11.590 0.772
102 HH12 ARG 10 HH12 ARG 10 0.225 11.764 1.804
103 HH21 ARG 10 HH21 ARG 10 -0.130 8.336 2.392
104 HH22 ARG 10 HH22 ARG 10 -0.761 9.913 2.725
105 H THR 11 H THR 11 1.041 7.257 -3.358
106 HA THR 11 HA THR 11 -0.397 9.824 -3.494
107 HB THR 11 HB THR 11 -0.800 8.640 -5.511
108 HG1 THR 11 HG1 THR 11 -3.045 7.910 -3.944
109 HG21 THR 11 HG21 THR 11 -0.007 6.435 -4.780
110 HG22 THR 11 HG22 THR 11 -1.479 6.223 -3.830
111 HG23 THR 11 HG23 THR 11 -1.571 6.322 -5.588
112 HH31 ALY 12 HH31 ALY 12 -8.783 4.004 1.261
113 HH32 ALY 12 HH32 ALY 12 -9.212 5.544 2.046
114 HH33 ALY 12 HH33 ALY 12 -10.347 4.775 0.911
115 HZ ALY 12 HZ ALY 12 -7.676 4.588 -1.155
116 HE3 ALY 12 HE3 ALY 12 -6.822 6.685 -1.871
117 HE2 ALY 12 HE2 ALY 12 -6.249 6.990 -0.228
118 HD3 ALY 12 HD3 ALY 12 -5.300 4.450 -1.416
119 HD2 ALY 12 HD2 ALY 12 -4.730 5.907 -2.243
120 HG3 ALY 12 HG3 ALY 12 -4.206 6.736 0.209
121 HG2 ALY 12 HG2 ALY 12 -4.252 5.009 0.595
122 HB3 ALY 12 HB3 ALY 12 -2.247 4.662 -0.319
123 HB2 ALY 12 HB2 ALY 12 -2.727 5.445 -1.818
124 HCA ALY 12 HA ALY 12 -2.338 7.579 -0.040
125 H ALY 12 H ALY 12 -0.408 6.571 -2.089
126 H GLN 13 H GLN 13 -2.217 5.582 1.771
127 HA GLN 13 HA GLN 13 0.548 5.808 2.736
128 HB2 GLN 13 HB2 GLN 13 -2.111 5.683 4.083
129 HB3 GLN 13 HB3 GLN 13 -0.714 5.043 4.938
130 HG2 GLN 13 HG2 GLN 13 0.406 7.265 4.496
131 HG3 GLN 13 HG3 GLN 13 -1.176 7.849 3.984
132 HE21 GLN 13 HE21 GLN 13 0.758 6.771 6.656
133 HE22 GLN 13 HE22 GLN 13 -0.306 7.306 7.907
134 H CYS 14 H CYS 14 1.334 4.020 1.541
135 HA CYS 14 HA CYS 14 0.277 1.474 1.422
136 HB2 CYS 14 HB2 CYS 14 2.513 2.601 0.452
137 HB3 CYS 14 HB3 CYS 14 3.220 1.675 1.771
138 HN1 NH2 15 H1 CYS 14 3.214 1.481 3.734
Start of MODEL 12
1 H1 ACE 0 H01 ACE 0 3.183 -0.186 -1.555
2 H2 ACE 0 H02 ACE 0 1.370 -0.670 -1.107
3 H TRP 1 H TRP 1 3.380 1.811 -2.538
4 HA TRP 1 HA TRP 1 0.949 3.030 -3.573
5 HB2 TRP 1 HB2 TRP 1 3.780 3.874 -4.180
6 HB3 TRP 1 HB3 TRP 1 2.313 4.843 -4.274
7 HD1 TRP 1 HD1 TRP 1 1.052 4.574 -1.498
8 HE1 TRP 1 HE1 TRP 1 2.239 5.419 0.625
9 HE3 TRP 1 HE3 TRP 1 5.867 4.609 -3.218
10 HZ2 TRP 1 HZ2 TRP 1 4.866 6.021 1.459
11 HZ3 TRP 1 HZ3 TRP 1 7.659 5.334 -1.694
12 HH2 TRP 1 HH2 TRP 1 7.167 6.025 0.594
13 H LYS 2 H LYS 2 1.692 3.966 -6.012
14 HA LYS 2 HA LYS 2 1.736 1.506 -7.597
15 HB2 LYS 2 HB2 LYS 2 -0.130 3.094 -7.935
16 HB3 LYS 2 HB3 LYS 2 1.025 4.326 -8.424
17 HG2 LYS 2 HG2 LYS 2 1.102 3.550 -10.503
18 HG3 LYS 2 HG3 LYS 2 1.355 1.892 -9.950
19 HD2 LYS 2 HD2 LYS 2 -1.201 2.032 -9.367
20 HD3 LYS 2 HD3 LYS 2 -1.188 3.325 -10.568
21 HE2 LYS 2 HE2 LYS 2 0.255 1.310 -11.778
22 HE3 LYS 2 HE3 LYS 2 -1.015 0.440 -10.921
23 HZ1 LYS 2 HZ1 LYS 2 -1.937 0.926 -12.983
24 HZ2 LYS 2 HZ2 LYS 2 -2.574 2.134 -11.985
25 HZ3 LYS 2 HZ3 LYS 2 -1.291 2.489 -13.030
26 H THR 3 H THR 3 3.106 1.245 -9.387
27 HA THR 3 HA THR 3 5.381 3.110 -9.530
28 HB THR 3 HB THR 3 5.650 0.110 -9.770
29 HG1 THR 3 HG1 THR 3 6.090 1.844 -7.555
30 HG21 THR 3 HG21 THR 3 7.302 1.894 -10.809
31 HG22 THR 3 HG22 THR 3 7.894 1.968 -9.150
32 HG23 THR 3 HG23 THR 3 7.906 0.436 -10.023
33 H ILE 4 H ILE 4 5.673 3.889 -11.505
34 HA ILE 4 HA ILE 4 5.173 2.199 -13.830
35 HB ILE 4 HB ILE 4 3.966 4.958 -13.638
36 HG12 ILE 4 HG12 ILE 4 2.585 2.269 -13.495
37 HG13 ILE 4 HG13 ILE 4 2.825 3.358 -12.133
38 HG21 ILE 4 HG21 ILE 4 3.587 4.809 -15.824
39 HG22 ILE 4 HG22 ILE 4 4.637 3.392 -15.840
40 HG23 ILE 4 HG23 ILE 4 2.894 3.195 -15.654
41 HD11 ILE 4 HD11 ILE 4 1.504 5.066 -13.435
42 HD12 ILE 4 HD12 ILE 4 1.088 3.760 -14.545
43 HD13 ILE 4 HD13 ILE 4 0.608 3.665 -12.851
44 HH31 ALY 5 HH31 ALY 5 3.003 9.465 -15.524
45 HH32 ALY 5 HH32 ALY 5 3.355 9.539 -13.780
46 HH33 ALY 5 HH33 ALY 5 4.124 10.695 -14.895
47 HZ ALY 5 HZ ALY 5 6.048 8.622 -16.487
48 HE3 ALY 5 HE3 ALY 5 5.301 6.249 -15.649
49 HE2 ALY 5 HE2 ALY 5 4.067 6.553 -16.874
50 HD3 ALY 5 HD3 ALY 5 5.539 6.370 -18.601
51 HD2 ALY 5 HD2 ALY 5 6.839 7.182 -17.718
52 HG3 ALY 5 HG3 ALY 5 5.950 4.390 -16.970
53 HG2 ALY 5 HG2 ALY 5 7.105 4.656 -18.286
54 HB3 ALY 5 HB3 ALY 5 8.707 5.606 -16.857
55 HB2 ALY 5 HB2 ALY 5 7.529 5.938 -15.595
56 HCA ALY 5 HA ALY 5 8.587 3.196 -16.393
57 H ALY 5 H ALY 5 6.741 2.387 -15.281
58 H GLY 6 H GLY 6 8.846 2.484 -13.634
59 HA2 GLY 6 HA2 GLY 6 10.347 2.631 -11.901
60 HA3 GLY 6 HA3 GLY 6 11.459 3.226 -13.125
61 HH31 ALY 7 HH31 ALY 7 11.273 9.681 -18.640
62 HH32 ALY 7 HH32 ALY 7 11.651 10.887 -17.388
63 HH33 ALY 7 HH33 ALY 7 12.870 9.677 -17.856
64 HZ ALY 7 HZ ALY 7 11.065 10.433 -15.537
65 HE3 ALY 7 HE3 ALY 7 9.432 9.809 -14.237
66 HE2 ALY 7 HE2 ALY 7 9.519 8.198 -14.956
67 HD3 ALY 7 HD3 ALY 7 10.839 7.353 -13.269
68 HD2 ALY 7 HD2 ALY 7 11.620 8.909 -12.951
69 HG3 ALY 7 HG3 ALY 7 10.297 8.784 -11.078
70 HG2 ALY 7 HG2 ALY 7 9.158 9.583 -12.172
71 HB3 ALY 7 HB3 ALY 7 7.782 7.915 -11.510
72 HB2 ALY 7 HB2 ALY 7 8.597 7.044 -12.801
73 HCA ALY 7 HA ALY 7 10.165 6.731 -10.420
74 H ALY 7 H ALY 7 8.531 4.534 -11.536
75 H THR 8 H THR 8 9.264 7.729 -8.645
76 HA THR 8 HA THR 8 6.940 6.330 -7.507
77 HB THR 8 HB THR 8 8.393 7.983 -5.617
78 HG1 THR 8 HG1 THR 8 10.363 7.437 -6.129
79 HG21 THR 8 HG21 THR 8 6.783 5.917 -5.375
80 HG22 THR 8 HG22 THR 8 8.284 5.002 -5.516
81 HG23 THR 8 HG23 THR 8 8.087 6.181 -4.218
82 H TRP 9 H TRP 9 6.019 7.920 -5.622
83 HA TRP 9 HA TRP 9 5.844 10.663 -6.130
84 HB2 TRP 9 HB2 TRP 9 3.421 10.617 -7.018
85 HB3 TRP 9 HB3 TRP 9 4.728 10.320 -8.162
86 HD1 TRP 9 HD1 TRP 9 2.175 8.287 -6.067
87 HE1 TRP 9 HE1 TRP 9 1.604 6.146 -7.376
88 HE3 TRP 9 HE3 TRP 9 5.384 8.863 -10.004
89 HZ2 TRP 9 HZ2 TRP 9 2.408 4.870 -9.762
90 HZ3 TRP 9 HZ3 TRP 9 5.422 7.136 -11.756
91 HH2 TRP 9 HH2 TRP 9 3.964 5.182 -11.635
92 H ARG 10 H ARG 10 4.269 7.756 -4.960
93 HA ARG 10 HA ARG 10 3.178 7.287 -3.021
94 HB2 ARG 10 HB2 ARG 10 5.151 8.553 -2.067
95 HB3 ARG 10 HB3 ARG 10 4.120 9.976 -2.029
96 HG2 ARG 10 HG2 ARG 10 2.939 7.626 -0.758
97 HG3 ARG 10 HG3 ARG 10 4.424 8.193 0.006
98 HD2 ARG 10 HD2 ARG 10 2.595 10.350 -0.695
99 HD3 ARG 10 HD3 ARG 10 1.898 9.193 0.438
100 HE ARG 10 HE ARG 10 4.014 11.065 0.955
101 HH11 ARG 10 HH11 ARG 10 2.576 8.040 1.907
102 HH12 ARG 10 HH12 ARG 10 3.197 8.104 3.522
103 HH21 ARG 10 HH21 ARG 10 4.838 11.159 3.080
104 HH22 ARG 10 HH22 ARG 10 4.483 9.880 4.189
105 H THR 11 H THR 11 1.047 7.256 -3.358
106 HA THR 11 HA THR 11 -0.389 9.825 -3.490
107 HB THR 11 HB THR 11 -0.791 8.645 -5.509
108 HG1 THR 11 HG1 THR 11 -2.688 9.484 -4.421
109 HG21 THR 11 HG21 THR 11 -1.564 6.328 -5.593
110 HG22 THR 11 HG22 THR 11 -0.002 6.438 -4.781
111 HG23 THR 11 HG23 THR 11 -1.474 6.225 -3.834
112 HH31 ALY 12 HH31 ALY 12 -7.252 1.839 -2.792
113 HH32 ALY 12 HH32 ALY 12 -5.886 1.598 -1.675
114 HH33 ALY 12 HH33 ALY 12 -7.364 0.621 -1.500
115 HZ ALY 12 HZ ALY 12 -8.223 4.367 -1.196
116 HE3 ALY 12 HE3 ALY 12 -6.643 5.844 -0.496
117 HE2 ALY 12 HE2 ALY 12 -6.624 4.579 0.736
118 HD3 ALY 12 HD3 ALY 12 -4.608 3.692 0.002
119 HD2 ALY 12 HD2 ALY 12 -4.825 4.281 -1.651
120 HG3 ALY 12 HG3 ALY 12 -4.526 6.630 -0.764
121 HG2 ALY 12 HG2 ALY 12 -4.106 5.923 0.804
122 HB3 ALY 12 HB3 ALY 12 -2.266 4.665 -0.278
123 HB2 ALY 12 HB2 ALY 12 -2.675 5.404 -1.820
124 HCA ALY 12 HA ALY 12 -2.335 7.572 -0.043
125 H ALY 12 H ALY 12 -0.402 6.568 -2.093
126 H GLN 13 H GLN 13 -2.212 5.575 1.766
127 HA GLN 13 HA GLN 13 0.551 5.804 2.735
128 HB2 GLN 13 HB2 GLN 13 -2.087 5.909 4.017
129 HB3 GLN 13 HB3 GLN 13 -0.915 4.918 4.876
130 HG2 GLN 13 HG2 GLN 13 0.201 6.692 5.611
131 HG3 GLN 13 HG3 GLN 13 0.196 7.458 4.023
132 HE21 GLN 13 HE21 GLN 13 -0.835 9.309 3.924
133 HE22 GLN 13 HE22 GLN 13 -2.144 9.807 4.934
134 H CYS 14 H CYS 14 1.334 4.017 1.532
135 HA CYS 14 HA CYS 14 0.280 1.468 1.417
136 HB2 CYS 14 HB2 CYS 14 2.507 2.598 0.435
137 HB3 CYS 14 HB3 CYS 14 3.225 1.678 1.755
138 HN1 NH2 15 H1 CYS 14 3.244 1.419 3.642
Start of MODEL 13
1 H1 ACE 0 H01 ACE 0 3.083 -0.263 -1.624
2 H2 ACE 0 H02 ACE 0 1.256 -0.706 -1.169
3 H TRP 1 H TRP 1 3.309 1.760 -2.572
4 HA TRP 1 HA TRP 1 0.898 3.006 -3.619
5 HB2 TRP 1 HB2 TRP 1 3.742 3.828 -4.200
6 HB3 TRP 1 HB3 TRP 1 2.283 4.811 -4.297
7 HD1 TRP 1 HD1 TRP 1 1.001 4.534 -1.533
8 HE1 TRP 1 HE1 TRP 1 2.179 5.351 0.604
9 HE3 TRP 1 HE3 TRP 1 5.828 4.535 -3.217
10 HZ2 TRP 1 HZ2 TRP 1 4.806 5.922 1.463
11 HZ3 TRP 1 HZ3 TRP 1 7.614 5.231 -1.674
12 HH2 TRP 1 HH2 TRP 1 7.112 5.911 0.617
13 H LYS 2 H LYS 2 1.667 3.954 -6.046
14 HA LYS 2 HA LYS 2 1.709 1.503 -7.649
15 HB2 LYS 2 HB2 LYS 2 -0.158 3.074 -7.999
16 HB3 LYS 2 HB3 LYS 2 0.989 4.333 -8.436
17 HG2 LYS 2 HG2 LYS 2 1.645 3.147 -10.405
18 HG3 LYS 2 HG3 LYS 2 0.694 1.737 -9.930
19 HD2 LYS 2 HD2 LYS 2 -1.270 3.498 -9.915
20 HD3 LYS 2 HD3 LYS 2 -0.200 4.361 -11.023
21 HE2 LYS 2 HE2 LYS 2 -0.068 2.287 -12.397
22 HE3 LYS 2 HE3 LYS 2 -1.278 1.562 -11.339
23 HZ1 LYS 2 HZ1 LYS 2 -1.780 3.029 -13.579
24 HZ2 LYS 2 HZ2 LYS 2 -2.903 2.647 -12.372
25 HZ3 LYS 2 HZ3 LYS 2 -2.081 4.125 -12.326
26 H THR 3 H THR 3 3.070 1.277 -9.462
27 HA THR 3 HA THR 3 5.356 3.128 -9.565
28 HB THR 3 HB THR 3 5.627 0.136 -9.866
29 HG1 THR 3 HG1 THR 3 5.781 0.021 -7.761
30 HG21 THR 3 HG21 THR 3 7.333 2.318 -10.460
31 HG22 THR 3 HG22 THR 3 8.001 1.497 -9.048
32 HG23 THR 3 HG23 THR 3 7.702 0.595 -10.535
33 H ILE 4 H ILE 4 5.697 3.913 -11.533
34 HA ILE 4 HA ILE 4 5.176 2.263 -13.880
35 HB ILE 4 HB ILE 4 3.985 5.025 -13.629
36 HG12 ILE 4 HG12 ILE 4 2.612 2.328 -13.598
37 HG13 ILE 4 HG13 ILE 4 2.801 3.393 -12.209
38 HG21 ILE 4 HG21 ILE 4 3.747 4.969 -15.833
39 HG22 ILE 4 HG22 ILE 4 4.651 3.455 -15.872
40 HG23 ILE 4 HG23 ILE 4 2.894 3.429 -15.729
41 HD11 ILE 4 HD11 ILE 4 0.820 3.420 -14.310
42 HD12 ILE 4 HD12 ILE 4 0.817 4.222 -12.739
43 HD13 ILE 4 HD13 ILE 4 1.602 4.990 -14.119
44 HH31 ALY 5 HH31 ALY 5 3.441 8.512 -15.105
45 HH32 ALY 5 HH32 ALY 5 3.749 8.237 -13.373
46 HH33 ALY 5 HH33 ALY 5 3.780 9.890 -14.032
47 HZ ALY 5 HZ ALY 5 6.834 8.247 -15.765
48 HE3 ALY 5 HE3 ALY 5 5.374 6.235 -15.550
49 HE2 ALY 5 HE2 ALY 5 4.242 7.128 -16.569
50 HD3 ALY 5 HD3 ALY 5 5.358 6.484 -18.401
51 HD2 ALY 5 HD2 ALY 5 6.818 7.285 -17.804
52 HG3 ALY 5 HG3 ALY 5 5.964 4.492 -16.970
53 HG2 ALY 5 HG2 ALY 5 7.080 4.818 -18.303
54 HB3 ALY 5 HB3 ALY 5 8.731 5.672 -16.890
55 HB2 ALY 5 HB2 ALY 5 7.591 6.020 -15.597
56 HCA ALY 5 HA ALY 5 8.588 3.271 -16.443
57 H ALY 5 H ALY 5 6.724 2.473 -15.355
58 H GLY 6 H GLY 6 8.840 2.507 -13.698
59 HA2 GLY 6 HA2 GLY 6 10.344 2.606 -11.963
60 HA3 GLY 6 HA3 GLY 6 11.462 3.212 -13.177
61 HH31 ALY 7 HH31 ALY 7 11.499 9.905 -17.532
62 HH32 ALY 7 HH32 ALY 7 10.990 11.447 -16.801
63 HH33 ALY 7 HH33 ALY 7 12.675 11.223 -17.326
64 HZ ALY 7 HZ ALY 7 10.781 11.282 -14.824
65 HE3 ALY 7 HE3 ALY 7 9.309 9.914 -13.874
66 HE2 ALY 7 HE2 ALY 7 10.022 8.802 -15.046
67 HD3 ALY 7 HD3 ALY 7 10.708 7.480 -13.373
68 HD2 ALY 7 HD2 ALY 7 11.719 8.794 -12.756
69 HG3 ALY 7 HG3 ALY 7 10.410 8.675 -10.915
70 HG2 ALY 7 HG2 ALY 7 9.232 9.572 -11.886
71 HB3 ALY 7 HB3 ALY 7 7.854 7.859 -11.427
72 HB2 ALY 7 HB2 ALY 7 8.721 7.043 -12.721
73 HCA ALY 7 HA ALY 7 10.229 6.637 -10.328
74 H ALY 7 H ALY 7 8.585 4.468 -11.455
75 H THR 8 H THR 8 9.245 7.716 -8.600
76 HA THR 8 HA THR 8 6.926 6.285 -7.484
77 HB THR 8 HB THR 8 8.394 7.908 -5.569
78 HG1 THR 8 HG1 THR 8 10.167 6.208 -5.623
79 HG21 THR 8 HG21 THR 8 6.751 6.141 -5.024
80 HG22 THR 8 HG22 THR 8 7.857 4.939 -5.692
81 HG23 THR 8 HG23 THR 8 8.319 5.866 -4.264
82 H TRP 9 H TRP 9 6.016 7.870 -5.578
83 HA TRP 9 HA TRP 9 5.867 10.618 -6.066
84 HB2 TRP 9 HB2 TRP 9 3.445 10.601 -6.963
85 HB3 TRP 9 HB3 TRP 9 4.754 10.301 -8.105
86 HD1 TRP 9 HD1 TRP 9 2.177 8.275 -6.031
87 HE1 TRP 9 HE1 TRP 9 1.590 6.149 -7.358
88 HE3 TRP 9 HE3 TRP 9 5.399 8.853 -9.958
89 HZ2 TRP 9 HZ2 TRP 9 2.387 4.884 -9.753
90 HZ3 TRP 9 HZ3 TRP 9 5.425 7.141 -11.725
91 HH2 TRP 9 HH2 TRP 9 3.949 5.198 -11.623
92 H ARG 10 H ARG 10 4.262 7.716 -4.924
93 HA ARG 10 HA ARG 10 3.160 7.243 -2.992
94 HB2 ARG 10 HB2 ARG 10 5.141 8.483 -2.022
95 HB3 ARG 10 HB3 ARG 10 4.122 9.916 -1.976
96 HG2 ARG 10 HG2 ARG 10 2.915 7.567 -0.727
97 HG3 ARG 10 HG3 ARG 10 4.404 8.114 0.046
98 HD2 ARG 10 HD2 ARG 10 3.417 10.426 0.066
99 HD3 ARG 10 HD3 ARG 10 1.896 9.703 -0.457
100 HE ARG 10 HE ARG 10 2.509 8.274 1.746
101 HH11 ARG 10 HH11 ARG 10 2.335 11.693 1.112
102 HH12 ARG 10 HH12 ARG 10 1.877 12.102 2.733
103 HH21 ARG 10 HH21 ARG 10 1.907 8.800 3.882
104 HH22 ARG 10 HH22 ARG 10 1.635 10.456 4.307
105 H THR 11 H THR 11 1.032 7.234 -3.342
106 HA THR 11 HA THR 11 -0.382 9.816 -3.451
107 HB THR 11 HB THR 11 -0.783 8.665 -5.488
108 HG1 THR 11 HG1 THR 11 -3.085 8.083 -5.194
109 HG21 THR 11 HG21 THR 11 -1.573 6.356 -5.605
110 HG22 THR 11 HG22 THR 11 -0.017 6.441 -4.781
111 HG23 THR 11 HG23 THR 11 -1.498 6.231 -3.848
112 HH31 ALY 12 HH31 ALY 12 -7.582 2.144 -0.966
113 HH32 ALY 12 HH32 ALY 12 -7.741 0.660 0.004
114 HH33 ALY 12 HH33 ALY 12 -8.500 2.172 0.558
115 HZ ALY 12 HZ ALY 12 -6.474 2.990 2.462
116 HE3 ALY 12 HE3 ALY 12 -5.641 5.239 1.721
117 HE2 ALY 12 HE2 ALY 12 -4.462 3.951 1.984
118 HD3 ALY 12 HD3 ALY 12 -4.137 3.592 -0.306
119 HD2 ALY 12 HD2 ALY 12 -5.690 4.315 -0.744
120 HG3 ALY 12 HG3 ALY 12 -4.687 6.289 -1.084
121 HG2 ALY 12 HG2 ALY 12 -4.157 6.317 0.604
122 HB3 ALY 12 HB3 ALY 12 -2.321 4.633 -0.305
123 HB2 ALY 12 HB2 ALY 12 -2.703 5.382 -1.849
124 HCA ALY 12 HA ALY 12 -2.370 7.535 -0.047
125 H ALY 12 H ALY 12 -0.432 6.541 -2.096
126 H GLN 13 H GLN 13 -2.271 5.518 1.741
127 HA GLN 13 HA GLN 13 0.486 5.723 2.733
128 HB2 GLN 13 HB2 GLN 13 -2.014 5.058 4.293
129 HB3 GLN 13 HB3 GLN 13 -0.420 5.402 4.953
130 HG2 GLN 13 HG2 GLN 13 -0.909 7.645 3.490
131 HG3 GLN 13 HG3 GLN 13 -2.523 7.223 4.059
132 HE21 GLN 13 HE21 GLN 13 0.761 7.163 5.412
133 HE22 GLN 13 HE22 GLN 13 0.356 7.985 6.876
134 H CYS 14 H CYS 14 1.254 3.948 1.491
135 HA CYS 14 HA CYS 14 0.195 1.404 1.357
136 HB2 CYS 14 HB2 CYS 14 2.405 2.528 0.355
137 HB3 CYS 14 HB3 CYS 14 3.144 1.625 1.674
138 HN1 NH2 15 H1 CYS 14 2.003 -0.581 2.933
Start of MODEL 14
1 H1 ACE 0 H01 ACE 0 3.065 -0.236 -1.614
2 H2 ACE 0 H02 ACE 0 1.240 -0.699 -1.179
3 H TRP 1 H TRP 1 3.287 1.777 -2.569
4 HA TRP 1 HA TRP 1 0.876 3.025 -3.615
5 HB2 TRP 1 HB2 TRP 1 3.720 3.847 -4.196
6 HB3 TRP 1 HB3 TRP 1 2.262 4.831 -4.290
7 HD1 TRP 1 HD1 TRP 1 0.979 4.550 -1.527
8 HE1 TRP 1 HE1 TRP 1 2.159 5.365 0.611
9 HE3 TRP 1 HE3 TRP 1 5.806 4.552 -3.211
10 HZ2 TRP 1 HZ2 TRP 1 4.787 5.934 1.470
11 HZ3 TRP 1 HZ3 TRP 1 7.593 5.246 -1.669
12 HH2 TRP 1 HH2 TRP 1 7.092 5.922 0.623
13 H LYS 2 H LYS 2 1.647 3.975 -6.042
14 HA LYS 2 HA LYS 2 1.682 1.526 -7.647
15 HB2 LYS 2 HB2 LYS 2 -0.168 3.131 -7.987
16 HB3 LYS 2 HB3 LYS 2 1.000 4.359 -8.455
17 HG2 LYS 2 HG2 LYS 2 1.094 3.602 -10.538
18 HG3 LYS 2 HG3 LYS 2 1.324 1.937 -10.001
19 HD2 LYS 2 HD2 LYS 2 -1.226 2.065 -9.452
20 HD3 LYS 2 HD3 LYS 2 -1.209 3.409 -10.595
21 HE2 LYS 2 HE2 LYS 2 0.255 1.357 -11.813
22 HE3 LYS 2 HE3 LYS 2 -1.153 0.574 -11.097
23 HZ1 LYS 2 HZ1 LYS 2 -1.943 1.205 -13.142
24 HZ2 LYS 2 HZ2 LYS 2 -2.412 2.533 -12.203
25 HZ3 LYS 2 HZ3 LYS 2 -1.041 2.636 -13.190
26 H THR 3 H THR 3 3.064 1.270 -9.429
27 HA THR 3 HA THR 3 5.356 3.114 -9.537
28 HB THR 3 HB THR 3 5.612 0.118 -9.821
29 HG1 THR 3 HG1 THR 3 6.122 1.780 -7.559
30 HG21 THR 3 HG21 THR 3 7.677 2.283 -9.402
31 HG22 THR 3 HG22 THR 3 7.997 0.557 -9.577
32 HG23 THR 3 HG23 THR 3 7.340 1.475 -10.932
33 H ILE 4 H ILE 4 5.666 3.911 -11.503
34 HA ILE 4 HA ILE 4 5.169 2.247 -13.847
35 HB ILE 4 HB ILE 4 3.992 5.018 -13.643
36 HG12 ILE 4 HG12 ILE 4 2.573 2.348 -13.521
37 HG13 ILE 4 HG13 ILE 4 2.827 3.422 -12.149
38 HG21 ILE 4 HG21 ILE 4 2.930 3.244 -15.671
39 HG22 ILE 4 HG22 ILE 4 3.580 4.875 -15.827
40 HG23 ILE 4 HG23 ILE 4 4.667 3.487 -15.853
41 HD11 ILE 4 HD11 ILE 4 1.613 5.017 -14.061
42 HD12 ILE 4 HD12 ILE 4 0.779 3.468 -14.174
43 HD13 ILE 4 HD13 ILE 4 0.861 4.315 -12.629
44 HH31 ALY 5 HH31 ALY 5 3.950 10.363 -13.956
45 HH32 ALY 5 HH32 ALY 5 4.991 10.981 -15.261
46 HH33 ALY 5 HH33 ALY 5 3.399 10.283 -15.646
47 HZ ALY 5 HZ ALY 5 5.736 8.796 -16.821
48 HE3 ALY 5 HE3 ALY 5 5.286 6.385 -15.668
49 HE2 ALY 5 HE2 ALY 5 4.097 6.485 -16.969
50 HD3 ALY 5 HD3 ALY 5 5.699 6.518 -18.633
51 HD2 ALY 5 HD2 ALY 5 6.913 7.287 -17.601
52 HG3 ALY 5 HG3 ALY 5 5.980 4.489 -16.981
53 HG2 ALY 5 HG2 ALY 5 7.159 4.750 -18.275
54 HB3 ALY 5 HB3 ALY 5 8.749 5.673 -16.809
55 HB2 ALY 5 HB2 ALY 5 7.555 5.986 -15.557
56 HCA ALY 5 HA ALY 5 8.592 3.249 -16.399
57 H ALY 5 H ALY 5 6.729 2.449 -15.309
58 H GLY 6 H GLY 6 8.834 2.487 -13.651
59 HA2 GLY 6 HA2 GLY 6 10.332 2.585 -11.911
60 HA3 GLY 6 HA3 GLY 6 11.455 3.184 -13.123
61 HH31 ALY 7 HH31 ALY 7 13.483 10.443 -17.466
62 HH32 ALY 7 HH32 ALY 7 11.952 9.608 -17.824
63 HH33 ALY 7 HH33 ALY 7 11.935 11.292 -17.249
64 HZ ALY 7 HZ ALY 7 11.447 8.234 -15.388
65 HE3 ALY 7 HE3 ALY 7 10.980 10.463 -13.686
66 HE2 ALY 7 HE2 ALY 7 9.486 9.713 -14.255
67 HD3 ALY 7 HD3 ALY 7 10.498 7.473 -13.533
68 HD2 ALY 7 HD2 ALY 7 11.753 8.413 -12.713
69 HG3 ALY 7 HG3 ALY 7 10.392 8.693 -10.956
70 HG2 ALY 7 HG2 ALY 7 9.243 9.557 -11.989
71 HB3 ALY 7 HB3 ALY 7 7.847 7.881 -11.420
72 HB2 ALY 7 HB2 ALY 7 8.671 7.031 -12.720
73 HCA ALY 7 HA ALY 7 10.214 6.648 -10.336
74 H ALY 7 H ALY 7 8.556 4.488 -11.479
75 H THR 8 H THR 8 9.250 7.720 -8.602
76 HA THR 8 HA THR 8 6.930 6.301 -7.473
77 HB THR 8 HB THR 8 8.389 7.925 -5.560
78 HG1 THR 8 HG1 THR 8 10.328 6.833 -5.628
79 HG21 THR 8 HG21 THR 8 8.284 4.955 -5.437
80 HG22 THR 8 HG22 THR 8 7.993 6.150 -4.173
81 HG23 THR 8 HG23 THR 8 6.758 5.837 -5.391
82 H TRP 9 H TRP 9 6.012 7.885 -5.581
83 HA TRP 9 HA TRP 9 5.869 10.634 -6.066
84 HB2 TRP 9 HB2 TRP 9 3.452 10.622 -6.973
85 HB3 TRP 9 HB3 TRP 9 4.764 10.320 -8.109
86 HD1 TRP 9 HD1 TRP 9 2.174 8.297 -6.051
87 HE1 TRP 9 HE1 TRP 9 1.590 6.174 -7.382
88 HE3 TRP 9 HE3 TRP 9 5.419 8.872 -9.959
89 HZ2 TRP 9 HZ2 TRP 9 2.399 4.909 -9.773
90 HZ3 TRP 9 HZ3 TRP 9 5.452 7.160 -11.727
91 HH2 TRP 9 HH2 TRP 9 3.972 5.220 -11.633
92 H ARG 10 H ARG 10 4.255 7.734 -4.934
93 HA ARG 10 HA ARG 10 3.144 7.259 -3.006
94 HB2 ARG 10 HB2 ARG 10 5.123 8.498 -2.029
95 HB3 ARG 10 HB3 ARG 10 4.104 9.930 -1.983
96 HG2 ARG 10 HG2 ARG 10 2.893 7.577 -0.745
97 HG3 ARG 10 HG3 ARG 10 4.379 8.123 0.036
98 HD2 ARG 10 HD2 ARG 10 2.016 9.887 -0.595
99 HD3 ARG 10 HD3 ARG 10 2.333 9.156 0.978
100 HE ARG 10 HE ARG 10 3.578 11.479 -0.117
101 HH11 ARG 10 HH11 ARG 10 4.081 8.750 1.986
102 HH12 ARG 10 HH12 ARG 10 5.303 9.535 2.929
103 HH21 ARG 10 HH21 ARG 10 5.187 12.524 1.118
104 HH22 ARG 10 HH22 ARG 10 5.931 11.682 2.435
105 H THR 11 H THR 11 1.017 7.253 -3.358
106 HA THR 11 HA THR 11 -0.393 9.837 -3.479
107 HB THR 11 HB THR 11 -0.792 8.682 -5.512
108 HG1 THR 11 HG1 THR 11 -2.700 9.530 -4.626
109 HG21 THR 11 HG21 THR 11 -1.585 6.372 -5.624
110 HG22 THR 11 HG22 THR 11 -0.028 6.460 -4.799
111 HG23 THR 11 HG23 THR 11 -1.511 6.252 -3.866
112 HH31 ALY 12 HH31 ALY 12 -9.128 6.671 -3.037
113 HH32 ALY 12 HH32 ALY 12 -9.241 8.394 -3.473
114 HH33 ALY 12 HH33 ALY 12 -7.700 7.524 -3.670
115 HZ ALY 12 HZ ALY 12 -7.452 6.303 -1.315
116 HE3 ALY 12 HE3 ALY 12 -5.727 8.102 -2.315
117 HE2 ALY 12 HE2 ALY 12 -5.310 8.051 -0.600
118 HD3 ALY 12 HD3 ALY 12 -5.730 5.398 -1.846
119 HD2 ALY 12 HD2 ALY 12 -4.361 6.308 -2.500
120 HG3 ALY 12 HG3 ALY 12 -4.244 6.626 0.315
121 HG2 ALY 12 HG2 ALY 12 -4.598 4.915 0.032
122 HB3 ALY 12 HB3 ALY 12 -2.391 4.683 -0.275
123 HB2 ALY 12 HB2 ALY 12 -2.686 5.380 -1.861
124 HCA ALY 12 HA ALY 12 -2.388 7.572 -0.068
125 H ALY 12 H ALY 12 -0.453 6.567 -2.114
126 H GLN 13 H GLN 13 -2.302 5.554 1.721
127 HA GLN 13 HA GLN 13 0.456 5.743 2.713
128 HB2 GLN 13 HB2 GLN 13 -2.077 5.138 4.248
129 HB3 GLN 13 HB3 GLN 13 -0.477 5.381 4.937
130 HG2 GLN 13 HG2 GLN 13 -1.409 7.589 3.262
131 HG3 GLN 13 HG3 GLN 13 -2.391 7.295 4.697
132 HE21 GLN 13 HE21 GLN 13 -0.049 9.174 3.636
133 HE22 GLN 13 HE22 GLN 13 0.876 9.409 5.076
134 H CYS 14 H CYS 14 1.230 3.963 1.496
135 HA CYS 14 HA CYS 14 0.154 1.426 1.343
136 HB2 CYS 14 HB2 CYS 14 2.394 2.540 0.384
137 HB3 CYS 14 HB3 CYS 14 3.099 1.614 1.706
138 HN1 NH2 15 H1 CYS 14 -0.783 0.735 3.442
Start of MODEL 15
1 H1 ACE 0 H01 ACE 0 3.170 -0.129 -1.538
2 H2 ACE 0 H02 ACE 0 1.360 -0.672 -1.142
3 H TRP 1 H TRP 1 3.355 1.810 -2.566
4 HA TRP 1 HA TRP 1 0.919 3.037 -3.587
5 HB2 TRP 1 HB2 TRP 1 3.748 3.891 -4.194
6 HB3 TRP 1 HB3 TRP 1 2.277 4.856 -4.282
7 HD1 TRP 1 HD1 TRP 1 1.022 4.574 -1.505
8 HE1 TRP 1 HE1 TRP 1 2.209 5.416 0.618
9 HE3 TRP 1 HE3 TRP 1 5.834 4.628 -3.233
10 HZ2 TRP 1 HZ2 TRP 1 4.837 6.022 1.450
11 HZ3 TRP 1 HZ3 TRP 1 7.625 5.352 -1.709
12 HH2 TRP 1 HH2 TRP 1 7.135 6.035 0.583
13 H LYS 2 H LYS 2 1.662 3.980 -6.025
14 HA LYS 2 HA LYS 2 1.702 1.524 -7.615
15 HB2 LYS 2 HB2 LYS 2 -0.152 3.109 -7.971
16 HB3 LYS 2 HB3 LYS 2 1.006 4.354 -8.421
17 HG2 LYS 2 HG2 LYS 2 1.665 3.106 -10.370
18 HG3 LYS 2 HG3 LYS 2 0.639 1.752 -9.891
19 HD2 LYS 2 HD2 LYS 2 -1.252 3.562 -9.928
20 HD3 LYS 2 HD3 LYS 2 -0.126 4.430 -10.975
21 HE2 LYS 2 HE2 LYS 2 -0.950 3.229 -12.661
22 HE3 LYS 2 HE3 LYS 2 -0.113 1.842 -11.965
23 HZ1 LYS 2 HZ1 LYS 2 -2.943 2.506 -11.938
24 HZ2 LYS 2 HZ2 LYS 2 -2.185 0.993 -11.970
25 HZ3 LYS 2 HZ3 LYS 2 -2.328 1.837 -10.511
26 H THR 3 H THR 3 3.074 1.261 -9.406
27 HA THR 3 HA THR 3 5.367 3.103 -9.532
28 HB THR 3 HB THR 3 5.590 0.098 -9.749
29 HG1 THR 3 HG1 THR 3 5.443 0.253 -7.629
30 HG21 THR 3 HG21 THR 3 7.547 2.369 -9.853
31 HG22 THR 3 HG22 THR 3 8.057 0.763 -9.334
32 HG23 THR 3 HG23 THR 3 7.379 0.994 -10.945
33 H ILE 4 H ILE 4 5.684 3.880 -11.505
34 HA ILE 4 HA ILE 4 5.179 2.202 -13.836
35 HB ILE 4 HB ILE 4 3.981 4.964 -13.627
36 HG12 ILE 4 HG12 ILE 4 2.610 2.268 -13.527
37 HG13 ILE 4 HG13 ILE 4 2.807 3.364 -12.164
38 HG21 ILE 4 HG21 ILE 4 3.704 4.858 -15.827
39 HG22 ILE 4 HG22 ILE 4 4.646 3.367 -15.841
40 HG23 ILE 4 HG23 ILE 4 2.890 3.299 -15.684
41 HD11 ILE 4 HD11 ILE 4 0.885 4.307 -12.696
42 HD12 ILE 4 HD12 ILE 4 1.588 4.841 -14.223
43 HD13 ILE 4 HD13 ILE 4 0.752 3.291 -14.132
44 HH31 ALY 5 HH31 ALY 5 5.842 9.501 -12.876
45 HH32 ALY 5 HH32 ALY 5 5.498 10.558 -14.266
46 HH33 ALY 5 HH33 ALY 5 4.375 9.241 -13.848
47 HZ ALY 5 HZ ALY 5 6.190 8.675 -16.671
48 HE3 ALY 5 HE3 ALY 5 5.563 6.230 -15.465
49 HE2 ALY 5 HE2 ALY 5 4.225 6.745 -16.495
50 HD3 ALY 5 HD3 ALY 5 5.378 6.322 -18.386
51 HD2 ALY 5 HD2 ALY 5 6.821 7.150 -17.788
52 HG3 ALY 5 HG3 ALY 5 6.003 4.354 -16.929
53 HG2 ALY 5 HG2 ALY 5 7.121 4.682 -18.261
54 HB3 ALY 5 HB3 ALY 5 8.757 5.563 -16.853
55 HB2 ALY 5 HB2 ALY 5 7.609 5.929 -15.574
56 HCA ALY 5 HA ALY 5 8.631 3.171 -16.357
57 H ALY 5 H ALY 5 6.779 2.368 -15.251
58 H GLY 6 H GLY 6 8.865 2.463 -13.595
59 HA2 GLY 6 HA2 GLY 6 10.351 2.608 -11.850
60 HA3 GLY 6 HA3 GLY 6 11.474 3.200 -13.064
61 HH31 ALY 7 HH31 ALY 7 10.588 11.407 -16.945
62 HH32 ALY 7 HH32 ALY 7 9.150 11.717 -15.941
63 HH33 ALY 7 HH33 ALY 7 10.353 13.004 -16.197
64 HZ ALY 7 HZ ALY 7 12.071 10.100 -14.163
65 HE3 ALY 7 HE3 ALY 7 9.324 9.639 -14.184
66 HE2 ALY 7 HE2 ALY 7 10.117 8.420 -15.186
67 HD3 ALY 7 HD3 ALY 7 10.726 7.311 -13.337
68 HD2 ALY 7 HD2 ALY 7 11.701 8.700 -12.838
69 HG3 ALY 7 HG3 ALY 7 10.316 8.759 -11.048
70 HG2 ALY 7 HG2 ALY 7 9.193 9.560 -12.157
71 HB3 ALY 7 HB3 ALY 7 7.799 7.907 -11.486
72 HB2 ALY 7 HB2 ALY 7 8.609 7.025 -12.772
73 HCA ALY 7 HA ALY 7 10.163 6.711 -10.377
74 H ALY 7 H ALY 7 8.535 4.518 -11.508
75 H THR 8 H THR 8 9.260 7.695 -8.602
76 HA THR 8 HA THR 8 6.916 6.309 -7.489
77 HB THR 8 HB THR 8 8.439 7.980 -5.632
78 HG1 THR 8 HG1 THR 8 9.701 5.744 -6.877
79 HG21 THR 8 HG21 THR 8 7.076 5.378 -5.727
80 HG22 THR 8 HG22 THR 8 8.492 5.432 -4.677
81 HG23 THR 8 HG23 THR 8 7.163 6.566 -4.426
82 H TRP 9 H TRP 9 5.993 7.907 -5.606
83 HA TRP 9 HA TRP 9 5.831 10.649 -6.118
84 HB2 TRP 9 HB2 TRP 9 3.411 10.612 -7.017
85 HB3 TRP 9 HB3 TRP 9 4.723 10.310 -8.155
86 HD1 TRP 9 HD1 TRP 9 2.155 8.284 -6.071
87 HE1 TRP 9 HE1 TRP 9 1.583 6.144 -7.382
88 HE3 TRP 9 HE3 TRP 9 5.383 8.851 -9.994
89 HZ2 TRP 9 HZ2 TRP 9 2.395 4.866 -9.764
90 HZ3 TRP 9 HZ3 TRP 9 5.424 7.124 -11.747
91 HH2 TRP 9 HH2 TRP 9 3.960 5.173 -11.632
92 H ARG 10 H ARG 10 4.238 7.750 -4.953
93 HA ARG 10 HA ARG 10 3.135 7.287 -3.018
94 HB2 ARG 10 HB2 ARG 10 5.110 8.546 -2.057
95 HB3 ARG 10 HB3 ARG 10 4.084 9.974 -2.024
96 HG2 ARG 10 HG2 ARG 10 2.892 7.625 -0.757
97 HG3 ARG 10 HG3 ARG 10 4.373 8.195 0.014
98 HD2 ARG 10 HD2 ARG 10 3.193 10.541 -0.262
99 HD3 ARG 10 HD3 ARG 10 1.738 9.545 -0.290
100 HE ARG 10 HE ARG 10 3.313 8.768 1.892
101 HH11 ARG 10 HH11 ARG 10 1.417 11.477 0.805
102 HH12 ARG 10 HH12 ARG 10 1.011 12.003 2.405
103 HH21 ARG 10 HH21 ARG 10 2.787 9.449 4.004
104 HH22 ARG 10 HH22 ARG 10 1.792 10.849 4.224
105 H THR 11 H THR 11 1.007 7.266 -3.367
106 HA THR 11 HA THR 11 -0.417 9.840 -3.525
107 HB THR 11 HB THR 11 -0.829 8.632 -5.525
108 HG1 THR 11 HG1 THR 11 -2.760 9.440 -4.861
109 HG21 THR 11 HG21 THR 11 -0.048 6.433 -4.777
110 HG22 THR 11 HG22 THR 11 -1.507 6.242 -3.805
111 HG23 THR 11 HG23 THR 11 -1.623 6.316 -5.564
112 HH31 ALY 12 HH31 ALY 12 -9.006 3.661 -2.816
113 HH32 ALY 12 HH32 ALY 12 -8.715 3.621 -1.061
114 HH33 ALY 12 HH33 ALY 12 -9.751 4.886 -1.763
115 HZ ALY 12 HZ ALY 12 -7.964 6.166 -0.534
116 HE3 ALY 12 HE3 ALY 12 -6.472 5.431 1.013
117 HE2 ALY 12 HE2 ALY 12 -6.965 3.961 0.166
118 HD3 ALY 12 HD3 ALY 12 -4.581 3.889 0.321
119 HD2 ALY 12 HD2 ALY 12 -4.968 4.276 -1.361
120 HG3 ALY 12 HG3 ALY 12 -4.619 6.696 -0.850
121 HG2 ALY 12 HG2 ALY 12 -4.149 6.257 0.799
122 HB3 ALY 12 HB3 ALY 12 -2.374 4.762 -0.240
123 HB2 ALY 12 HB2 ALY 12 -2.760 5.504 -1.786
124 HCA ALY 12 HA ALY 12 -2.336 7.667 -0.015
125 H ALY 12 H ALY 12 -0.435 6.612 -2.067
126 H GLN 13 H GLN 13 -2.260 5.667 1.794
127 HA GLN 13 HA GLN 13 0.514 5.820 2.741
128 HB2 GLN 13 HB2 GLN 13 -2.132 5.597 4.139
129 HB3 GLN 13 HB3 GLN 13 -0.649 5.128 4.960
130 HG2 GLN 13 HG2 GLN 13 0.257 7.373 4.591
131 HG3 GLN 13 HG3 GLN 13 -1.246 7.839 3.798
132 HE21 GLN 13 HE21 GLN 13 0.167 8.731 6.300
133 HE22 GLN 13 HE22 GLN 13 -1.049 8.665 7.526
134 H CYS 14 H CYS 14 1.293 4.038 1.551
135 HA CYS 14 HA CYS 14 0.197 1.511 1.377
136 HB2 CYS 14 HB2 CYS 14 2.447 2.603 0.434
137 HB3 CYS 14 HB3 CYS 14 3.141 1.693 1.773
138 HN1 NH2 15 H1 CYS 14 -0.254 1.882 4.562
Start of MODEL 16
1 H1 ACE 0 H01 ACE 0 3.099 -0.208 -1.590
2 H2 ACE 0 H02 ACE 0 1.304 -0.755 -1.220
3 H TRP 1 H TRP 1 3.309 1.732 -2.617
4 HA TRP 1 HA TRP 1 0.886 3.002 -3.624
5 HB2 TRP 1 HB2 TRP 1 3.724 3.842 -4.207
6 HB3 TRP 1 HB3 TRP 1 2.262 4.820 -4.285
7 HD1 TRP 1 HD1 TRP 1 0.995 4.506 -1.516
8 HE1 TRP 1 HE1 TRP 1 2.183 5.305 0.623
9 HE3 TRP 1 HE3 TRP 1 5.813 4.546 -3.228
10 HZ2 TRP 1 HZ2 TRP 1 4.814 5.878 1.473
11 HZ3 TRP 1 HZ3 TRP 1 7.606 5.232 -1.690
12 HH2 TRP 1 HH2 TRP 1 7.115 5.884 0.612
13 H LYS 2 H LYS 2 1.650 3.972 -6.044
14 HA LYS 2 HA LYS 2 1.685 1.536 -7.668
15 HB2 LYS 2 HB2 LYS 2 -0.160 3.166 -7.983
16 HB3 LYS 2 HB3 LYS 2 1.021 4.374 -8.474
17 HG2 LYS 2 HG2 LYS 2 1.519 3.248 -10.463
18 HG3 LYS 2 HG3 LYS 2 0.767 1.751 -9.905
19 HD2 LYS 2 HD2 LYS 2 -1.377 3.293 -9.778
20 HD3 LYS 2 HD3 LYS 2 -0.486 4.228 -10.981
21 HE2 LYS 2 HE2 LYS 2 -1.202 2.813 -12.535
22 HE3 LYS 2 HE3 LYS 2 -0.253 1.545 -11.761
23 HZ1 LYS 2 HZ1 LYS 2 -2.082 0.764 -10.611
24 HZ2 LYS 2 HZ2 LYS 2 -2.950 2.208 -10.770
25 HZ3 LYS 2 HZ3 LYS 2 -2.759 1.185 -12.104
26 H THR 3 H THR 3 3.068 1.289 -9.450
27 HA THR 3 HA THR 3 5.359 3.134 -9.553
28 HB THR 3 HB THR 3 5.573 0.126 -9.759
29 HG1 THR 3 HG1 THR 3 6.133 1.922 -7.624
30 HG21 THR 3 HG21 THR 3 8.061 0.871 -9.331
31 HG22 THR 3 HG22 THR 3 7.381 0.895 -10.958
32 HG23 THR 3 HG23 THR 3 7.498 2.390 -10.030
33 H ILE 4 H ILE 4 5.694 3.918 -11.521
34 HA ILE 4 HA ILE 4 5.189 2.252 -13.862
35 HB ILE 4 HB ILE 4 4.017 5.026 -13.654
36 HG12 ILE 4 HG12 ILE 4 2.613 2.346 -13.549
37 HG13 ILE 4 HG13 ILE 4 2.827 3.440 -12.186
38 HG21 ILE 4 HG21 ILE 4 2.936 3.324 -15.707
39 HG22 ILE 4 HG22 ILE 4 3.689 4.913 -15.848
40 HG23 ILE 4 HG23 ILE 4 4.687 3.459 -15.867
41 HD11 ILE 4 HD11 ILE 4 1.541 5.146 -13.528
42 HD12 ILE 4 HD12 ILE 4 1.141 3.833 -14.634
43 HD13 ILE 4 HD13 ILE 4 0.628 3.753 -12.949
44 HH31 ALY 5 HH31 ALY 5 3.471 10.210 -15.936
45 HH32 ALY 5 HH32 ALY 5 3.674 10.521 -14.195
46 HH33 ALY 5 HH33 ALY 5 4.965 10.968 -15.338
47 HZ ALY 5 HZ ALY 5 6.421 8.479 -15.845
48 HE3 ALY 5 HE3 ALY 5 5.394 6.288 -15.606
49 HE2 ALY 5 HE2 ALY 5 4.153 6.831 -16.740
50 HD3 ALY 5 HD3 ALY 5 5.480 6.485 -18.530
51 HD2 ALY 5 HD2 ALY 5 6.861 7.281 -17.763
52 HG3 ALY 5 HG3 ALY 5 5.974 4.482 -17.006
53 HG2 ALY 5 HG2 ALY 5 7.116 4.786 -18.324
54 HB3 ALY 5 HB3 ALY 5 8.742 5.667 -16.889
55 HB2 ALY 5 HB2 ALY 5 7.579 6.008 -15.616
56 HCA ALY 5 HA ALY 5 8.589 3.258 -16.446
57 H ALY 5 H ALY 5 6.703 2.483 -15.378
58 H GLY 6 H GLY 6 8.835 2.506 -13.697
59 HA2 GLY 6 HA2 GLY 6 10.337 2.610 -11.961
60 HA3 GLY 6 HA3 GLY 6 11.456 3.211 -13.174
61 HH31 ALY 7 HH31 ALY 7 13.599 9.686 -16.000
62 HH32 ALY 7 HH32 ALY 7 12.724 8.629 -17.132
63 HH33 ALY 7 HH33 ALY 7 12.940 10.355 -17.510
64 HZ ALY 7 HZ ALY 7 11.445 8.149 -15.439
65 HE3 ALY 7 HE3 ALY 7 9.610 10.013 -14.208
66 HE2 ALY 7 HE2 ALY 7 9.007 8.376 -14.485
67 HD3 ALY 7 HD3 ALY 7 10.925 7.446 -13.240
68 HD2 ALY 7 HD2 ALY 7 11.557 9.078 -12.982
69 HG3 ALY 7 HG3 ALY 7 10.431 8.657 -10.981
70 HG2 ALY 7 HG2 ALY 7 9.230 9.566 -11.910
71 HB3 ALY 7 HB3 ALY 7 7.845 7.871 -11.415
72 HB2 ALY 7 HB2 ALY 7 8.672 7.033 -12.720
73 HCA ALY 7 HA ALY 7 10.222 6.647 -10.343
74 H ALY 7 H ALY 7 8.578 4.470 -11.455
75 H THR 8 H THR 8 9.246 7.729 -8.612
76 HA THR 8 HA THR 8 6.938 6.294 -7.476
77 HB THR 8 HB THR 8 8.417 7.919 -5.571
78 HG1 THR 8 HG1 THR 8 10.244 6.387 -5.599
79 HG21 THR 8 HG21 THR 8 6.768 5.810 -5.426
80 HG22 THR 8 HG22 THR 8 8.315 4.965 -5.380
81 HG23 THR 8 HG23 THR 8 7.943 6.193 -4.169
82 H TRP 9 H TRP 9 6.013 7.864 -5.583
83 HA TRP 9 HA TRP 9 5.866 10.615 -6.051
84 HB2 TRP 9 HB2 TRP 9 3.450 10.603 -6.960
85 HB3 TRP 9 HB3 TRP 9 4.765 10.313 -8.097
86 HD1 TRP 9 HD1 TRP 9 2.176 8.270 -6.058
87 HE1 TRP 9 HE1 TRP 9 1.601 6.153 -7.403
88 HE3 TRP 9 HE3 TRP 9 5.429 8.877 -9.954
89 HZ2 TRP 9 HZ2 TRP 9 2.419 4.905 -9.800
90 HZ3 TRP 9 HZ3 TRP 9 5.471 7.177 -11.732
91 HH2 TRP 9 HH2 TRP 9 3.995 5.232 -11.655
92 H ARG 10 H ARG 10 4.255 7.705 -4.940
93 HA ARG 10 HA ARG 10 3.140 7.217 -3.018
94 HB2 ARG 10 HB2 ARG 10 5.117 8.443 -2.026
95 HB3 ARG 10 HB3 ARG 10 4.105 9.880 -1.976
96 HG2 ARG 10 HG2 ARG 10 2.885 7.522 -0.751
97 HG3 ARG 10 HG3 ARG 10 4.367 8.069 0.038
98 HD2 ARG 10 HD2 ARG 10 2.405 10.158 -0.685
99 HD3 ARG 10 HD3 ARG 10 1.936 9.055 0.607
100 HE ARG 10 HE ARG 10 3.851 11.148 0.768
101 HH11 ARG 10 HH11 ARG 10 3.135 7.946 1.930
102 HH12 ARG 10 HH12 ARG 10 4.022 8.141 3.406
103 HH21 ARG 10 HH21 ARG 10 5.022 11.418 2.707
104 HH22 ARG 10 HH22 ARG 10 5.094 10.117 3.847
105 H THR 11 H THR 11 1.013 7.217 -3.381
106 HA THR 11 HA THR 11 -0.393 9.801 -3.501
107 HB THR 11 HB THR 11 -0.808 8.624 -5.519
108 HG1 THR 11 HG1 THR 11 -3.139 7.888 -5.021
109 HG21 THR 11 HG21 THR 11 -0.044 6.410 -4.805
110 HG22 THR 11 HG22 THR 11 -1.502 6.215 -3.834
111 HG23 THR 11 HG23 THR 11 -1.620 6.313 -5.590
112 HH31 ALY 12 HH31 ALY 12 -8.325 7.034 0.883
113 HH32 ALY 12 HH32 ALY 12 -8.888 7.492 -0.742
114 HH33 ALY 12 HH33 ALY 12 -9.962 6.585 0.350
115 HZ ALY 12 HZ ALY 12 -7.562 4.222 0.672
116 HE3 ALY 12 HE3 ALY 12 -6.390 3.426 -1.130
117 HE2 ALY 12 HE2 ALY 12 -6.027 5.067 -1.670
118 HD3 ALY 12 HD3 ALY 12 -5.005 4.119 1.000
119 HD2 ALY 12 HD2 ALY 12 -4.173 3.620 -0.479
120 HG3 ALY 12 HG3 ALY 12 -4.709 6.434 -0.655
121 HG2 ALY 12 HG2 ALY 12 -3.982 6.110 0.926
122 HB3 ALY 12 HB3 ALY 12 -2.288 4.661 -0.426
123 HB2 ALY 12 HB2 ALY 12 -2.878 5.548 -1.824
124 HCA ALY 12 HA ALY 12 -2.345 7.590 -0.033
125 H ALY 12 H ALY 12 -0.433 6.555 -2.085
126 H GLN 13 H GLN 13 -2.271 5.576 1.760
127 HA GLN 13 HA GLN 13 0.503 5.716 2.715
128 HB2 GLN 13 HB2 GLN 13 -2.087 6.016 3.989
129 HB3 GLN 13 HB3 GLN 13 -1.100 4.817 4.814
130 HG2 GLN 13 HG2 GLN 13 0.701 6.448 5.039
131 HG3 GLN 13 HG3 GLN 13 -0.284 7.650 4.207
132 HE21 GLN 13 HE21 GLN 13 0.238 8.793 6.269
133 HE22 GLN 13 HE22 GLN 13 -0.856 8.583 7.589
134 H CYS 14 H CYS 14 1.279 3.921 1.560
135 HA CYS 14 HA CYS 14 0.156 1.408 1.372
136 HB2 CYS 14 HB2 CYS 14 2.484 2.508 0.535
137 HB3 CYS 14 HB3 CYS 14 3.080 1.460 1.819
138 HN1 NH2 15 H1 CYS 14 -0.572 0.094 3.447
Start of MODEL 17
1 H1 ACE 0 H01 ACE 0 3.153 -0.196 -1.538
2 H2 ACE 0 H02 ACE 0 1.329 -0.645 -1.070
3 H TRP 1 H TRP 1 3.359 1.819 -2.509
4 HA TRP 1 HA TRP 1 0.936 3.029 -3.568
5 HB2 TRP 1 HB2 TRP 1 3.769 3.868 -4.170
6 HB3 TRP 1 HB3 TRP 1 2.303 4.838 -4.272
7 HD1 TRP 1 HD1 TRP 1 1.034 4.585 -1.500
8 HE1 TRP 1 HE1 TRP 1 2.216 5.438 0.622
9 HE3 TRP 1 HE3 TRP 1 5.855 4.600 -3.204
10 HZ2 TRP 1 HZ2 TRP 1 4.843 6.039 1.462
11 HZ3 TRP 1 HZ3 TRP 1 7.642 5.329 -1.678
12 HH2 TRP 1 HH2 TRP 1 7.145 6.033 0.605
13 H LYS 2 H LYS 2 1.691 3.949 -6.010
14 HA LYS 2 HA LYS 2 1.754 1.477 -7.579
15 HB2 LYS 2 HB2 LYS 2 -0.130 3.049 -7.923
16 HB3 LYS 2 HB3 LYS 2 1.016 4.282 -8.433
17 HG2 LYS 2 HG2 LYS 2 1.262 3.395 -10.481
18 HG3 LYS 2 HG3 LYS 2 1.198 1.735 -9.884
19 HD2 LYS 2 HD2 LYS 2 -1.289 2.123 -9.523
20 HD3 LYS 2 HD3 LYS 2 -1.092 3.591 -10.484
21 HE2 LYS 2 HE2 LYS 2 -1.688 2.103 -12.120
22 HE3 LYS 2 HE3 LYS 2 0.067 1.943 -12.170
23 HZ1 LYS 2 HZ1 LYS 2 -1.926 0.014 -11.416
24 HZ2 LYS 2 HZ2 LYS 2 -0.331 -0.223 -11.927
25 HZ3 LYS 2 HZ3 LYS 2 -0.656 0.125 -10.303
26 H THR 3 H THR 3 3.117 1.235 -9.384
27 HA THR 3 HA THR 3 5.379 3.115 -9.523
28 HB THR 3 HB THR 3 5.655 0.114 -9.749
29 HG1 THR 3 HG1 THR 3 5.733 0.130 -7.642
30 HG21 THR 3 HG21 THR 3 8.116 0.966 -9.229
31 HG22 THR 3 HG22 THR 3 7.484 0.902 -10.874
32 HG23 THR 3 HG23 THR 3 7.504 2.431 -9.996
33 H ILE 4 H ILE 4 5.706 3.880 -11.502
34 HA ILE 4 HA ILE 4 5.190 2.196 -13.826
35 HB ILE 4 HB ILE 4 3.982 4.955 -13.609
36 HG12 ILE 4 HG12 ILE 4 2.637 2.246 -13.509
37 HG13 ILE 4 HG13 ILE 4 2.807 3.358 -12.155
38 HG21 ILE 4 HG21 ILE 4 2.890 3.315 -15.676
39 HG22 ILE 4 HG22 ILE 4 3.727 4.861 -15.810
40 HG23 ILE 4 HG23 ILE 4 4.646 3.356 -15.831
41 HD11 ILE 4 HD11 ILE 4 0.880 4.274 -12.713
42 HD12 ILE 4 HD12 ILE 4 1.585 4.794 -14.244
43 HD13 ILE 4 HD13 ILE 4 0.768 3.235 -14.134
44 HH31 ALY 5 HH31 ALY 5 6.889 10.132 -14.653
45 HH32 ALY 5 HH32 ALY 5 5.523 10.557 -13.592
46 HH33 ALY 5 HH33 ALY 5 6.644 9.257 -13.123
47 HZ ALY 5 HZ ALY 5 6.778 8.020 -15.563
48 HE3 ALY 5 HE3 ALY 5 5.291 6.129 -15.588
49 HE2 ALY 5 HE2 ALY 5 4.199 7.065 -16.612
50 HD3 ALY 5 HD3 ALY 5 5.301 6.347 -18.424
51 HD2 ALY 5 HD2 ALY 5 6.755 7.174 -17.850
52 HG3 ALY 5 HG3 ALY 5 5.935 4.387 -16.960
53 HG2 ALY 5 HG2 ALY 5 7.042 4.701 -18.306
54 HB3 ALY 5 HB3 ALY 5 8.690 5.598 -16.917
55 HB2 ALY 5 HB2 ALY 5 7.554 5.958 -15.626
56 HCA ALY 5 HA ALY 5 8.577 3.204 -16.424
57 H ALY 5 H ALY 5 6.711 2.414 -15.331
58 H GLY 6 H GLY 6 8.842 2.495 -13.664
59 HA2 GLY 6 HA2 GLY 6 10.347 2.643 -11.935
60 HA3 GLY 6 HA3 GLY 6 11.457 3.237 -13.161
61 HH31 ALY 7 HH31 ALY 7 11.207 12.920 -12.432
62 HH32 ALY 7 HH32 ALY 7 12.399 12.798 -13.747
63 HH33 ALY 7 HH33 ALY 7 11.051 13.953 -13.871
64 HZ ALY 7 HZ ALY 7 11.751 10.642 -13.556
65 HE3 ALY 7 HE3 ALY 7 9.192 9.732 -14.127
66 HE2 ALY 7 HE2 ALY 7 10.325 8.917 -15.209
67 HD3 ALY 7 HD3 ALY 7 10.607 7.482 -13.479
68 HD2 ALY 7 HD2 ALY 7 11.674 8.737 -12.837
69 HG3 ALY 7 HG3 ALY 7 10.344 8.741 -11.019
70 HG2 ALY 7 HG2 ALY 7 9.164 9.595 -12.024
71 HB3 ALY 7 HB3 ALY 7 7.801 7.886 -11.498
72 HB2 ALY 7 HB2 ALY 7 8.662 7.048 -12.780
73 HCA ALY 7 HA ALY 7 10.189 6.707 -10.386
74 H ALY 7 H ALY 7 8.564 4.501 -11.472
75 H THR 8 H THR 8 9.262 7.731 -8.628
76 HA THR 8 HA THR 8 6.939 6.325 -7.496
77 HB THR 8 HB THR 8 8.385 7.980 -5.601
78 HG1 THR 8 HG1 THR 8 10.212 7.498 -6.820
79 HG21 THR 8 HG21 THR 8 6.774 5.895 -5.387
80 HG22 THR 8 HG22 THR 8 8.294 5.004 -5.476
81 HG23 THR 8 HG23 THR 8 8.043 6.194 -4.198
82 H TRP 9 H TRP 9 6.017 7.921 -5.612
83 HA TRP 9 HA TRP 9 5.842 10.662 -6.128
84 HB2 TRP 9 HB2 TRP 9 3.421 10.615 -7.019
85 HB3 TRP 9 HB3 TRP 9 4.729 10.313 -8.160
86 HD1 TRP 9 HD1 TRP 9 2.172 8.288 -6.061
87 HE1 TRP 9 HE1 TRP 9 1.602 6.143 -7.364
88 HE3 TRP 9 HE3 TRP 9 5.386 8.850 -9.997
89 HZ2 TRP 9 HZ2 TRP 9 2.409 4.859 -9.745
90 HZ3 TRP 9 HZ3 TRP 9 5.425 7.118 -11.745
91 HH2 TRP 9 HH2 TRP 9 3.966 5.164 -11.619
92 H ARG 10 H ARG 10 4.267 7.759 -4.952
93 HA ARG 10 HA ARG 10 3.171 7.295 -3.013
94 HB2 ARG 10 HB2 ARG 10 5.144 8.563 -2.060
95 HB3 ARG 10 HB3 ARG 10 4.113 9.987 -2.027
96 HG2 ARG 10 HG2 ARG 10 2.928 7.640 -0.752
97 HG3 ARG 10 HG3 ARG 10 4.414 8.208 0.013
98 HD2 ARG 10 HD2 ARG 10 3.255 10.556 -0.239
99 HD3 ARG 10 HD3 ARG 10 1.788 9.580 -0.299
100 HE ARG 10 HE ARG 10 1.982 9.275 1.948
101 HH11 ARG 10 HH11 ARG 10 5.119 10.085 0.672
102 HH12 ARG 10 HH12 ARG 10 5.883 10.134 2.226
103 HH21 ARG 10 HH21 ARG 10 2.977 9.338 3.999
104 HH22 ARG 10 HH22 ARG 10 4.663 9.709 4.118
105 H THR 11 H THR 11 1.042 7.264 -3.355
106 HA THR 11 HA THR 11 -0.393 9.834 -3.491
107 HB THR 11 HB THR 11 -0.790 8.656 -5.513
108 HG1 THR 11 HG1 THR 11 -2.884 8.930 -5.369
109 HG21 THR 11 HG21 THR 11 -1.562 6.339 -5.601
110 HG22 THR 11 HG22 THR 11 -0.003 6.448 -4.782
111 HG23 THR 11 HG23 THR 11 -1.480 6.235 -3.841
112 HH31 ALY 12 HH31 ALY 12 -3.829 3.415 4.444
113 HH32 ALY 12 HH32 ALY 12 -4.639 4.552 5.548
114 HH33 ALY 12 HH33 ALY 12 -5.194 2.865 5.443
115 HZ ALY 12 HZ ALY 12 -4.253 4.757 2.838
116 HE3 ALY 12 HE3 ALY 12 -6.483 4.029 1.348
117 HE2 ALY 12 HE2 ALY 12 -6.193 5.755 1.114
118 HD3 ALY 12 HD3 ALY 12 -3.774 4.040 0.996
119 HD2 ALY 12 HD2 ALY 12 -4.948 3.772 -0.300
120 HG3 ALY 12 HG3 ALY 12 -4.745 5.951 -1.121
121 HG2 ALY 12 HG2 ALY 12 -4.151 6.587 0.421
122 HB3 ALY 12 HB3 ALY 12 -2.261 4.667 -0.299
123 HB2 ALY 12 HB2 ALY 12 -2.690 5.414 -1.831
124 HCA ALY 12 HA ALY 12 -2.354 7.577 -0.055
125 H ALY 12 H ALY 12 -0.412 6.576 -2.097
126 H GLN 13 H GLN 13 -2.231 5.583 1.759
127 HA GLN 13 HA GLN 13 0.528 5.826 2.738
128 HB2 GLN 13 HB2 GLN 13 -2.133 5.623 4.095
129 HB3 GLN 13 HB3 GLN 13 -0.684 5.106 4.949
130 HG2 GLN 13 HG2 GLN 13 -0.092 7.614 3.836
131 HG3 GLN 13 HG3 GLN 13 -1.704 7.744 4.538
132 HE21 GLN 13 HE21 GLN 13 -1.707 6.345 6.734
133 HE22 GLN 13 HE22 GLN 13 -0.480 6.844 7.842
134 H CYS 14 H CYS 14 1.309 4.037 1.528
135 HA CYS 14 HA CYS 14 0.265 1.484 1.431
136 HB2 CYS 14 HB2 CYS 14 2.476 2.612 0.424
137 HB3 CYS 14 HB3 CYS 14 3.212 1.718 1.750
138 HN1 NH2 15 H1 CYS 14 3.148 1.675 3.917
Start of MODEL 18
1 H1 ACE 0 H01 ACE 0 3.144 -0.196 -1.545
2 H2 ACE 0 H02 ACE 0 1.320 -0.639 -1.073
3 H TRP 1 H TRP 1 3.353 1.822 -2.514
4 HA TRP 1 HA TRP 1 0.931 3.034 -3.573
5 HB2 TRP 1 HB2 TRP 1 3.765 3.868 -4.177
6 HB3 TRP 1 HB3 TRP 1 2.300 4.839 -4.279
7 HD1 TRP 1 HD1 TRP 1 1.032 4.590 -1.505
8 HE1 TRP 1 HE1 TRP 1 2.216 5.442 0.615
9 HE3 TRP 1 HE3 TRP 1 5.851 4.598 -3.213
10 HZ2 TRP 1 HZ2 TRP 1 4.844 6.040 1.453
11 HZ3 TRP 1 HZ3 TRP 1 7.641 5.324 -1.688
12 HH2 TRP 1 HH2 TRP 1 7.146 6.031 0.595
13 H LYS 2 H LYS 2 1.685 3.952 -6.016
14 HA LYS 2 HA LYS 2 1.745 1.479 -7.584
15 HB2 LYS 2 HB2 LYS 2 -0.138 3.050 -7.930
16 HB3 LYS 2 HB3 LYS 2 1.007 4.285 -8.436
17 HG2 LYS 2 HG2 LYS 2 1.234 3.415 -10.489
18 HG3 LYS 2 HG3 LYS 2 1.216 1.751 -9.897
19 HD2 LYS 2 HD2 LYS 2 -1.329 2.338 -9.439
20 HD3 LYS 2 HD3 LYS 2 -1.036 3.503 -10.732
21 HE2 LYS 2 HE2 LYS 2 -0.034 1.514 -12.014
22 HE3 LYS 2 HE3 LYS 2 -0.844 0.510 -10.814
23 HZ1 LYS 2 HZ1 LYS 2 -2.542 0.637 -12.252
24 HZ2 LYS 2 HZ2 LYS 2 -2.821 2.152 -11.549
25 HZ3 LYS 2 HZ3 LYS 2 -1.962 2.039 -13.003
26 H THR 3 H THR 3 3.107 1.234 -9.390
27 HA THR 3 HA THR 3 5.371 3.110 -9.530
28 HB THR 3 HB THR 3 5.668 0.118 -9.795
29 HG1 THR 3 HG1 THR 3 6.407 1.716 -7.559
30 HG21 THR 3 HG21 THR 3 8.079 0.700 -9.419
31 HG22 THR 3 HG22 THR 3 7.408 1.303 -10.934
32 HG23 THR 3 HG23 THR 3 7.630 2.398 -9.570
33 H ILE 4 H ILE 4 5.691 3.880 -11.508
34 HA ILE 4 HA ILE 4 5.175 2.198 -13.833
35 HB ILE 4 HB ILE 4 3.969 4.956 -13.617
36 HG12 ILE 4 HG12 ILE 4 2.613 2.252 -13.514
37 HG13 ILE 4 HG13 ILE 4 2.802 3.354 -12.154
38 HG21 ILE 4 HG21 ILE 4 2.875 3.298 -15.676
39 HG22 ILE 4 HG22 ILE 4 3.693 4.854 -15.815
40 HG23 ILE 4 HG23 ILE 4 4.630 3.361 -15.837
41 HD11 ILE 4 HD11 ILE 4 0.991 3.527 -14.502
42 HD12 ILE 4 HD12 ILE 4 0.662 3.812 -12.794
43 HD13 ILE 4 HD13 ILE 4 1.542 5.016 -13.733
44 HH31 ALY 5 HH31 ALY 5 3.252 8.522 -15.569
45 HH32 ALY 5 HH32 ALY 5 3.391 7.819 -13.940
46 HH33 ALY 5 HH33 ALY 5 3.379 9.586 -14.148
47 HZ ALY 5 HZ ALY 5 6.706 8.086 -15.717
48 HE3 ALY 5 HE3 ALY 5 5.249 6.103 -15.661
49 HE2 ALY 5 HE2 ALY 5 4.195 6.979 -16.773
50 HD3 ALY 5 HD3 ALY 5 5.442 6.305 -18.507
51 HD2 ALY 5 HD2 ALY 5 6.850 7.128 -17.820
52 HG3 ALY 5 HG3 ALY 5 5.968 4.362 -16.936
53 HG2 ALY 5 HG2 ALY 5 7.103 4.622 -18.269
54 HB3 ALY 5 HB3 ALY 5 8.731 5.563 -16.870
55 HB2 ALY 5 HB2 ALY 5 7.573 5.923 -15.597
56 HCA ALY 5 HA ALY 5 8.615 3.169 -16.369
57 H ALY 5 H ALY 5 6.769 2.364 -15.255
58 H GLY 6 H GLY 6 8.861 2.476 -13.604
59 HA2 GLY 6 HA2 GLY 6 10.352 2.638 -11.864
60 HA3 GLY 6 HA3 GLY 6 11.469 3.228 -13.086
61 HH31 ALY 7 HH31 ALY 7 8.737 10.748 -16.954
62 HH32 ALY 7 HH32 ALY 7 9.229 10.146 -18.556
63 HH33 ALY 7 HH33 ALY 7 8.196 9.146 -17.506
64 HZ ALY 7 HZ ALY 7 10.916 7.963 -15.689
65 HE3 ALY 7 HE3 ALY 7 9.755 10.140 -14.576
66 HE2 ALY 7 HE2 ALY 7 8.584 8.842 -14.328
67 HD3 ALY 7 HD3 ALY 7 10.706 7.483 -13.532
68 HD2 ALY 7 HD2 ALY 7 11.400 9.093 -13.292
69 HG3 ALY 7 HG3 ALY 7 10.443 8.654 -11.210
70 HG2 ALY 7 HG2 ALY 7 9.184 9.606 -12.012
71 HB3 ALY 7 HB3 ALY 7 7.783 7.937 -11.521
72 HB2 ALY 7 HB2 ALY 7 8.578 7.041 -12.808
73 HCA ALY 7 HA ALY 7 10.150 6.750 -10.417
74 H ALY 7 H ALY 7 8.527 4.545 -11.535
75 H THR 8 H THR 8 9.282 7.693 -8.621
76 HA THR 8 HA THR 8 6.934 6.321 -7.504
77 HB THR 8 HB THR 8 8.384 7.975 -5.610
78 HG1 THR 8 HG1 THR 8 10.365 7.210 -5.850
79 HG21 THR 8 HG21 THR 8 8.067 6.175 -4.210
80 HG22 THR 8 HG22 THR 8 6.767 5.913 -5.371
81 HG23 THR 8 HG23 THR 8 8.266 4.995 -5.505
82 H TRP 9 H TRP 9 6.018 7.919 -5.618
83 HA TRP 9 HA TRP 9 5.845 10.661 -6.135
84 HB2 TRP 9 HB2 TRP 9 3.422 10.617 -7.024
85 HB3 TRP 9 HB3 TRP 9 4.729 10.313 -8.166
86 HD1 TRP 9 HD1 TRP 9 2.173 8.291 -6.065
87 HE1 TRP 9 HE1 TRP 9 1.598 6.147 -7.367
88 HE3 TRP 9 HE3 TRP 9 5.382 8.849 -10.004
89 HZ2 TRP 9 HZ2 TRP 9 2.400 4.861 -9.748
90 HZ3 TRP 9 HZ3 TRP 9 5.417 7.118 -11.752
91 HH2 TRP 9 HH2 TRP 9 3.956 5.165 -11.625
92 H ARG 10 H ARG 10 4.267 7.759 -4.957
93 HA ARG 10 HA ARG 10 3.172 7.297 -3.016
94 HB2 ARG 10 HB2 ARG 10 5.147 8.562 -2.066
95 HB3 ARG 10 HB3 ARG 10 4.119 9.988 -2.032
96 HG2 ARG 10 HG2 ARG 10 2.932 7.644 -0.755
97 HG3 ARG 10 HG3 ARG 10 4.419 8.209 0.008
98 HD2 ARG 10 HD2 ARG 10 3.350 10.543 -0.115
99 HD3 ARG 10 HD3 ARG 10 1.840 9.683 -0.415
100 HE ARG 10 HE ARG 10 1.797 9.051 1.789
101 HH11 ARG 10 HH11 ARG 10 4.955 10.286 1.002
102 HH12 ARG 10 HH12 ARG 10 5.503 10.300 2.646
103 HH21 ARG 10 HH21 ARG 10 2.507 9.064 3.957
104 HH22 ARG 10 HH22 ARG 10 4.110 9.605 4.325
105 H THR 11 H THR 11 1.043 7.269 -3.360
106 HA THR 11 HA THR 11 -0.389 9.841 -3.493
107 HB THR 11 HB THR 11 -0.789 8.664 -5.515
108 HG1 THR 11 HG1 THR 11 -3.101 7.982 -5.120
109 HG21 THR 11 HG21 THR 11 -1.564 6.348 -5.602
110 HG22 THR 11 HG22 THR 11 -0.005 6.455 -4.786
111 HG23 THR 11 HG23 THR 11 -1.480 6.243 -3.844
112 HH31 ALY 12 HH31 ALY 12 -6.056 0.633 0.457
113 HH32 ALY 12 HH32 ALY 12 -7.811 0.933 0.476
114 HH33 ALY 12 HH33 ALY 12 -6.742 1.959 -0.509
115 HZ ALY 12 HZ ALY 12 -4.925 2.995 1.214
116 HE3 ALY 12 HE3 ALY 12 -7.007 4.088 -0.230
117 HE2 ALY 12 HE2 ALY 12 -6.333 5.374 0.774
118 HD3 ALY 12 HD3 ALY 12 -4.338 3.664 -0.607
119 HD2 ALY 12 HD2 ALY 12 -5.349 4.654 -1.671
120 HG3 ALY 12 HG3 ALY 12 -4.525 6.649 -0.837
121 HG2 ALY 12 HG2 ALY 12 -4.151 5.959 0.750
122 HB3 ALY 12 HB3 ALY 12 -2.287 4.685 -0.261
123 HB2 ALY 12 HB2 ALY 12 -2.653 5.394 -1.828
124 HCA ALY 12 HA ALY 12 -2.351 7.586 -0.056
125 H ALY 12 H ALY 12 -0.411 6.583 -2.100
126 H GLN 13 H GLN 13 -2.228 5.592 1.757
127 HA GLN 13 HA GLN 13 0.531 5.832 2.735
128 HB2 GLN 13 HB2 GLN 13 -2.078 5.399 4.189
129 HB3 GLN 13 HB3 GLN 13 -0.507 5.296 4.972
130 HG2 GLN 13 HG2 GLN 13 -0.620 7.741 3.538
131 HG3 GLN 13 HG3 GLN 13 -2.096 7.585 4.488
132 HE21 GLN 13 HE21 GLN 13 -1.601 9.143 5.969
133 HE22 GLN 13 HE22 GLN 13 -0.320 8.991 7.119
134 H CYS 14 H CYS 14 1.309 4.042 1.522
135 HA CYS 14 HA CYS 14 0.262 1.490 1.428
136 HB2 CYS 14 HB2 CYS 14 2.471 2.615 0.413
137 HB3 CYS 14 HB3 CYS 14 3.210 1.724 1.740
138 HN1 NH2 15 H1 CYS 14 2.957 1.938 4.201
Start of MODEL 19
1 H1 ACE 0 H01 ACE 0 3.234 -0.141 -1.537
2 H2 ACE 0 H02 ACE 0 1.432 -0.679 -1.119
3 H TRP 1 H TRP 1 3.406 1.815 -2.560
4 HA TRP 1 HA TRP 1 0.958 3.024 -3.575
5 HB2 TRP 1 HB2 TRP 1 3.779 3.892 -4.197
6 HB3 TRP 1 HB3 TRP 1 2.303 4.849 -4.281
7 HD1 TRP 1 HD1 TRP 1 1.064 4.566 -1.497
8 HE1 TRP 1 HE1 TRP 1 2.256 5.418 0.619
9 HE3 TRP 1 HE3 TRP 1 5.866 4.642 -3.247
10 HZ2 TRP 1 HZ2 TRP 1 4.885 6.040 1.437
11 HZ3 TRP 1 HZ3 TRP 1 7.661 5.379 -1.735
12 HH2 TRP 1 HH2 TRP 1 7.179 6.064 0.559
13 H LYS 2 H LYS 2 1.685 3.965 -6.019
14 HA LYS 2 HA LYS 2 1.735 1.505 -7.603
15 HB2 LYS 2 HB2 LYS 2 -0.134 3.075 -7.953
16 HB3 LYS 2 HB3 LYS 2 1.011 4.329 -8.412
17 HG2 LYS 2 HG2 LYS 2 1.661 3.097 -10.367
18 HG3 LYS 2 HG3 LYS 2 0.676 1.719 -9.874
19 HD2 LYS 2 HD2 LYS 2 -1.249 3.514 -9.883
20 HD3 LYS 2 HD3 LYS 2 -0.158 4.357 -10.985
21 HE2 LYS 2 HE2 LYS 2 -1.331 3.116 -12.496
22 HE3 LYS 2 HE3 LYS 2 -0.045 1.970 -12.119
23 HZ1 LYS 2 HZ1 LYS 2 -2.853 1.760 -11.648
24 HZ2 LYS 2 HZ2 LYS 2 -1.664 0.556 -11.613
25 HZ3 LYS 2 HZ3 LYS 2 -1.963 1.490 -10.234
26 H THR 3 H THR 3 3.097 1.252 -9.404
27 HA THR 3 HA THR 3 5.376 3.111 -9.543
28 HB THR 3 HB THR 3 5.634 0.110 -9.786
29 HG1 THR 3 HG1 THR 3 6.012 0.045 -7.688
30 HG21 THR 3 HG21 THR 3 7.501 0.855 -10.851
31 HG22 THR 3 HG22 THR 3 7.475 2.419 -10.037
32 HG23 THR 3 HG23 THR 3 8.091 0.997 -9.196
33 H ILE 4 H ILE 4 5.680 3.889 -11.518
34 HA ILE 4 HA ILE 4 5.171 2.208 -13.846
35 HB ILE 4 HB ILE 4 3.953 4.960 -13.626
36 HG12 ILE 4 HG12 ILE 4 2.616 2.247 -13.517
37 HG13 ILE 4 HG13 ILE 4 2.789 3.361 -12.165
38 HG21 ILE 4 HG21 ILE 4 4.597 3.328 -15.844
39 HG22 ILE 4 HG22 ILE 4 2.841 3.342 -15.686
40 HG23 ILE 4 HG23 ILE 4 3.726 4.861 -15.829
41 HD11 ILE 4 HD11 ILE 4 1.557 4.813 -14.220
42 HD12 ILE 4 HD12 ILE 4 0.757 3.242 -14.167
43 HD13 ILE 4 HD13 ILE 4 0.840 4.239 -12.714
44 HH31 ALY 5 HH31 ALY 5 3.779 10.237 -15.355
45 HH32 ALY 5 HH32 ALY 5 3.179 8.562 -15.428
46 HH33 ALY 5 HH33 ALY 5 3.283 9.405 -13.864
47 HZ ALY 5 HZ ALY 5 6.708 8.066 -15.478
48 HE3 ALY 5 HE3 ALY 5 5.243 6.159 -15.560
49 HE2 ALY 5 HE2 ALY 5 4.185 7.081 -16.633
50 HD3 ALY 5 HD3 ALY 5 5.379 6.405 -18.402
51 HD2 ALY 5 HD2 ALY 5 6.815 7.197 -17.738
52 HG3 ALY 5 HG3 ALY 5 5.919 4.437 -16.856
53 HG2 ALY 5 HG2 ALY 5 7.004 4.688 -18.231
54 HB3 ALY 5 HB3 ALY 5 8.704 5.586 -16.894
55 HB2 ALY 5 HB2 ALY 5 7.604 5.963 -15.575
56 HCA ALY 5 HA ALY 5 8.598 3.206 -16.392
57 H ALY 5 H ALY 5 6.764 2.384 -15.268
58 H GLY 6 H GLY 6 8.859 2.475 -13.638
59 HA2 GLY 6 HA2 GLY 6 10.361 2.610 -11.905
60 HA3 GLY 6 HA3 GLY 6 11.472 3.213 -13.126
61 HH31 ALY 7 HH31 ALY 7 12.603 10.532 -18.140
62 HH32 ALY 7 HH32 ALY 7 13.465 11.068 -16.677
63 HH33 ALY 7 HH33 ALY 7 13.344 9.332 -17.055
64 HZ ALY 7 HZ ALY 7 12.202 10.284 -14.544
65 HE3 ALY 7 HE3 ALY 7 9.977 10.245 -13.912
66 HE2 ALY 7 HE2 ALY 7 9.678 8.850 -14.954
67 HD3 ALY 7 HD3 ALY 7 10.592 7.350 -13.460
68 HD2 ALY 7 HD2 ALY 7 11.723 8.535 -12.792
69 HG3 ALY 7 HG3 ALY 7 10.326 8.754 -11.047
70 HG2 ALY 7 HG2 ALY 7 9.194 9.557 -12.146
71 HB3 ALY 7 HB3 ALY 7 7.808 7.901 -11.468
72 HB2 ALY 7 HB2 ALY 7 8.605 7.028 -12.769
73 HCA ALY 7 HA ALY 7 10.184 6.697 -10.391
74 H ALY 7 H ALY 7 8.549 4.509 -11.520
75 H THR 8 H THR 8 9.220 7.762 -8.657
76 HA THR 8 HA THR 8 6.917 6.329 -7.511
77 HB THR 8 HB THR 8 8.441 8.010 -5.663
78 HG1 THR 8 HG1 THR 8 10.249 7.362 -6.757
79 HG21 THR 8 HG21 THR 8 8.509 5.464 -4.705
80 HG22 THR 8 HG22 THR 8 7.178 6.591 -4.449
81 HG23 THR 8 HG23 THR 8 7.088 5.402 -5.747
82 H TRP 9 H TRP 9 5.996 7.923 -5.624
83 HA TRP 9 HA TRP 9 5.815 10.664 -6.138
84 HB2 TRP 9 HB2 TRP 9 3.391 10.611 -7.025
85 HB3 TRP 9 HB3 TRP 9 4.697 10.315 -8.168
86 HD1 TRP 9 HD1 TRP 9 2.153 8.279 -6.068
87 HE1 TRP 9 HE1 TRP 9 1.586 6.134 -7.373
88 HE3 TRP 9 HE3 TRP 9 5.356 8.858 -10.010
89 HZ2 TRP 9 HZ2 TRP 9 2.391 4.856 -9.758
90 HZ3 TRP 9 HZ3 TRP 9 5.396 7.129 -11.760
91 HH2 TRP 9 HH2 TRP 9 3.945 5.170 -11.635
92 H ARG 10 H ARG 10 4.245 7.758 -4.962
93 HA ARG 10 HA ARG 10 3.155 7.291 -3.020
94 HB2 ARG 10 HB2 ARG 10 5.127 8.562 -2.071
95 HB3 ARG 10 HB3 ARG 10 4.094 9.984 -2.034
96 HG2 ARG 10 HG2 ARG 10 2.923 7.629 -0.758
97 HG3 ARG 10 HG3 ARG 10 4.405 8.209 0.005
98 HD2 ARG 10 HD2 ARG 10 2.344 10.217 -0.731
99 HD3 ARG 10 HD3 ARG 10 2.010 9.166 0.645
100 HE ARG 10 HE ARG 10 4.556 10.136 1.042
101 HH11 ARG 10 HH11 ARG 10 1.367 11.480 0.666
102 HH12 ARG 10 HH12 ARG 10 1.692 12.865 1.653
103 HH21 ARG 10 HH21 ARG 10 4.997 11.956 2.343
104 HH22 ARG 10 HH22 ARG 10 3.758 13.136 2.607
105 H THR 11 H THR 11 1.025 7.258 -3.357
106 HA THR 11 HA THR 11 -0.415 9.823 -3.508
107 HB THR 11 HB THR 11 -0.828 8.612 -5.506
108 HG1 THR 11 HG1 THR 11 -2.963 8.726 -5.387
109 HG21 THR 11 HG21 THR 11 -0.032 6.418 -4.762
110 HG22 THR 11 HG22 THR 11 -1.487 6.219 -3.784
111 HG23 THR 11 HG23 THR 11 -1.609 6.292 -5.542
112 HH31 ALY 12 HH31 ALY 12 -6.301 0.581 -2.322
113 HH32 ALY 12 HH32 ALY 12 -6.577 1.651 -0.925
114 HH33 ALY 12 HH33 ALY 12 -7.951 1.101 -1.913
115 HZ ALY 12 HZ ALY 12 -5.695 4.096 -3.323
116 HE3 ALY 12 HE3 ALY 12 -6.050 3.654 -0.614
117 HE2 ALY 12 HE2 ALY 12 -4.331 3.462 -0.972
118 HD3 ALY 12 HD3 ALY 12 -4.725 5.711 -2.350
119 HD2 ALY 12 HD2 ALY 12 -6.076 5.891 -1.222
120 HG3 ALY 12 HG3 ALY 12 -4.283 6.988 -0.154
121 HG2 ALY 12 HG2 ALY 12 -4.365 5.410 0.644
122 HB3 ALY 12 HB3 ALY 12 -2.363 4.751 -0.155
123 HB2 ALY 12 HB2 ALY 12 -2.667 5.422 -1.750
124 HCA ALY 12 HA ALY 12 -2.305 7.638 0.009
125 H ALY 12 H ALY 12 -0.407 6.594 -2.051
126 H GLN 13 H GLN 13 -2.207 5.640 1.818
127 HA GLN 13 HA GLN 13 0.570 5.814 2.754
128 HB2 GLN 13 HB2 GLN 13 -2.029 5.404 4.231
129 HB3 GLN 13 HB3 GLN 13 -0.454 5.246 4.995
130 HG2 GLN 13 HG2 GLN 13 -0.037 7.489 4.929
131 HG3 GLN 13 HG3 GLN 13 -1.056 7.749 3.514
132 HE21 GLN 13 HE21 GLN 13 -0.973 7.405 6.968
133 HE22 GLN 13 HE22 GLN 13 -2.572 7.987 7.270
134 H CYS 14 H CYS 14 1.355 4.036 1.561
135 HA CYS 14 HA CYS 14 0.278 1.502 1.392
136 HB2 CYS 14 HB2 CYS 14 2.521 2.613 0.447
137 HB3 CYS 14 HB3 CYS 14 3.222 1.695 1.776
138 HN1 NH2 15 H1 CYS 14 3.116 1.618 3.920
Start of MODEL 20
1 H1 ACE 0 H01 ACE 0 3.053 -0.256 -1.617
2 H2 ACE 0 H02 ACE 0 1.229 -0.715 -1.185
3 H TRP 1 H TRP 1 3.284 1.750 -2.581
4 HA TRP 1 HA TRP 1 0.880 3.008 -3.628
5 HB2 TRP 1 HB2 TRP 1 3.725 3.821 -4.207
6 HB3 TRP 1 HB3 TRP 1 2.271 4.810 -4.301
7 HD1 TRP 1 HD1 TRP 1 0.989 4.533 -1.537
8 HE1 TRP 1 HE1 TRP 1 2.173 5.343 0.601
9 HE3 TRP 1 HE3 TRP 1 5.816 4.515 -3.224
10 HZ2 TRP 1 HZ2 TRP 1 4.804 5.900 1.459
11 HZ3 TRP 1 HZ3 TRP 1 7.606 5.201 -1.682
12 HH2 TRP 1 HH2 TRP 1 7.109 5.879 0.611
13 H LYS 2 H LYS 2 1.656 3.953 -6.055
14 HA LYS 2 HA LYS 2 1.694 1.501 -7.655
15 HB2 LYS 2 HB2 LYS 2 -0.166 3.099 -7.990
16 HB3 LYS 2 HB3 LYS 2 0.995 4.328 -8.472
17 HG2 LYS 2 HG2 LYS 2 1.184 3.508 -10.540
18 HG3 LYS 2 HG3 LYS 2 1.223 1.835 -9.979
19 HD2 LYS 2 HD2 LYS 2 -1.324 2.278 -9.498
20 HD3 LYS 2 HD3 LYS 2 -1.110 3.545 -10.708
21 HE2 LYS 2 HE2 LYS 2 0.123 1.425 -11.897
22 HE3 LYS 2 HE3 LYS 2 -1.178 0.629 -11.014
23 HZ1 LYS 2 HZ1 LYS 2 -1.896 3.013 -12.524
24 HZ2 LYS 2 HZ2 LYS 2 -1.496 1.643 -13.432
25 HZ3 LYS 2 HZ3 LYS 2 -2.755 1.570 -12.302
26 H THR 3 H THR 3 3.064 1.265 -9.457
27 HA THR 3 HA THR 3 5.350 3.117 -9.562
28 HB THR 3 HB THR 3 5.615 0.124 -9.861
29 HG1 THR 3 HG1 THR 3 6.195 1.761 -7.597
30 HG21 THR 3 HG21 THR 3 7.615 2.366 -9.570
31 HG22 THR 3 HG22 THR 3 8.026 0.653 -9.496
32 HG23 THR 3 HG23 THR 3 7.365 1.338 -10.981
33 H ILE 4 H ILE 4 5.687 3.908 -11.528
34 HA ILE 4 HA ILE 4 5.167 2.259 -13.877
35 HB ILE 4 HB ILE 4 3.988 5.027 -13.635
36 HG12 ILE 4 HG12 ILE 4 2.601 2.338 -13.571
37 HG13 ILE 4 HG13 ILE 4 2.799 3.419 -12.196
38 HG21 ILE 4 HG21 ILE 4 2.887 3.403 -15.717
39 HG22 ILE 4 HG22 ILE 4 3.720 4.953 -15.836
40 HG23 ILE 4 HG23 ILE 4 4.644 3.451 -15.869
41 HD11 ILE 4 HD11 ILE 4 1.468 5.117 -13.410
42 HD12 ILE 4 HD12 ILE 4 1.184 3.926 -14.679
43 HD13 ILE 4 HD13 ILE 4 0.579 3.637 -13.049
44 HH31 ALY 5 HH31 ALY 5 3.032 8.362 -14.458
45 HH32 ALY 5 HH32 ALY 5 3.261 10.084 -14.848
46 HH33 ALY 5 HH33 ALY 5 3.326 8.861 -16.140
47 HZ ALY 5 HZ ALY 5 6.680 8.191 -15.498
48 HE3 ALY 5 HE3 ALY 5 5.392 6.217 -15.577
49 HE2 ALY 5 HE2 ALY 5 4.246 7.016 -16.658
50 HD3 ALY 5 HD3 ALY 5 5.454 6.424 -18.451
51 HD2 ALY 5 HD2 ALY 5 6.885 7.228 -17.791
52 HG3 ALY 5 HG3 ALY 5 6.000 4.447 -16.949
53 HG2 ALY 5 HG2 ALY 5 7.135 4.741 -18.275
54 HB3 ALY 5 HB3 ALY 5 8.771 5.625 -16.858
55 HB2 ALY 5 HB2 ALY 5 7.616 5.984 -15.581
56 HCA ALY 5 HA ALY 5 8.626 3.227 -16.387
57 H ALY 5 H ALY 5 6.765 2.429 -15.293
58 H GLY 6 H GLY 6 8.853 2.493 -13.632
59 HA2 GLY 6 HA2 GLY 6 10.340 2.613 -11.884
60 HA3 GLY 6 HA3 GLY 6 11.468 3.209 -13.092
61 HH31 ALY 7 HH31 ALY 7 11.508 6.951 -17.790
62 HH32 ALY 7 HH32 ALY 7 12.618 8.334 -17.634
63 HH33 ALY 7 HH33 ALY 7 12.471 7.156 -16.309
64 HZ ALY 7 HZ ALY 7 11.320 10.204 -15.841
65 HE3 ALY 7 HE3 ALY 7 10.299 10.466 -13.899
66 HE2 ALY 7 HE2 ALY 7 9.248 9.212 -14.564
67 HD3 ALY 7 HD3 ALY 7 10.611 7.470 -13.469
68 HD2 ALY 7 HD2 ALY 7 11.690 8.713 -12.820
69 HG3 ALY 7 HG3 ALY 7 10.351 8.735 -11.010
70 HG2 ALY 7 HG2 ALY 7 9.183 9.598 -12.022
71 HB3 ALY 7 HB3 ALY 7 7.804 7.902 -11.494
72 HB2 ALY 7 HB2 ALY 7 8.658 7.056 -12.776
73 HCA ALY 7 HA ALY 7 10.177 6.705 -10.376
74 H ALY 7 H ALY 7 8.534 4.533 -11.528
75 H THR 8 H THR 8 9.297 7.651 -8.578
76 HA THR 8 HA THR 8 6.937 6.281 -7.486
77 HB THR 8 HB THR 8 8.395 7.894 -5.564
78 HG1 THR 8 HG1 THR 8 10.317 7.439 -6.388
79 HG21 THR 8 HG21 THR 8 6.751 5.878 -5.324
80 HG22 THR 8 HG22 THR 8 8.211 4.909 -5.528
81 HG23 THR 8 HG23 THR 8 8.093 6.055 -4.193
82 H TRP 9 H TRP 9 6.027 7.862 -5.584
83 HA TRP 9 HA TRP 9 5.884 10.612 -6.063
84 HB2 TRP 9 HB2 TRP 9 3.465 10.604 -6.965
85 HB3 TRP 9 HB3 TRP 9 4.775 10.304 -8.104
86 HD1 TRP 9 HD1 TRP 9 2.190 8.277 -6.042
87 HE1 TRP 9 HE1 TRP 9 1.600 6.158 -7.377
88 HE3 TRP 9 HE3 TRP 9 5.422 8.860 -9.960
89 HZ2 TRP 9 HZ2 TRP 9 2.400 4.898 -9.774
90 HZ3 TRP 9 HZ3 TRP 9 5.448 7.152 -11.732
91 HH2 TRP 9 HH2 TRP 9 3.968 5.213 -11.639
92 H ARG 10 H ARG 10 4.271 7.711 -4.932
93 HA ARG 10 HA ARG 10 3.162 7.233 -3.004
94 HB2 ARG 10 HB2 ARG 10 5.145 8.463 -2.026
95 HB3 ARG 10 HB3 ARG 10 4.134 9.900 -1.978
96 HG2 ARG 10 HG2 ARG 10 2.913 7.553 -0.739
97 HG3 ARG 10 HG3 ARG 10 4.402 8.092 0.040
98 HD2 ARG 10 HD2 ARG 10 2.730 10.342 -0.611
99 HD3 ARG 10 HD3 ARG 10 1.829 9.159 0.339
100 HE ARG 10 HE ARG 10 4.418 9.721 1.425
101 HH11 ARG 10 HH11 ARG 10 1.117 10.814 1.257
102 HH12 ARG 10 HH12 ARG 10 1.186 11.667 2.762
103 HH21 ARG 10 HH21 ARG 10 4.522 10.841 3.410
104 HH22 ARG 10 HH22 ARG 10 3.122 11.682 3.986
105 H THR 11 H THR 11 1.035 7.234 -3.364
106 HA THR 11 HA THR 11 -0.369 9.822 -3.469
107 HB THR 11 HB THR 11 -0.773 8.673 -5.506
108 HG1 THR 11 HG1 THR 11 -2.794 9.211 -5.225
109 HG21 THR 11 HG21 THR 11 -0.015 6.447 -4.804
110 HG22 THR 11 HG22 THR 11 -1.494 6.241 -3.864
111 HG23 THR 11 HG23 THR 11 -1.576 6.367 -5.622
112 HH31 ALY 12 HH31 ALY 12 -8.197 8.072 -4.106
113 HH32 ALY 12 HH32 ALY 12 -6.538 8.329 -4.697
114 HH33 ALY 12 HH33 ALY 12 -7.253 6.698 -4.725
115 HZ ALY 12 HZ ALY 12 -7.274 5.593 -2.829
116 HE3 ALY 12 HE3 ALY 12 -6.449 6.531 -0.162
117 HE2 ALY 12 HE2 ALY 12 -7.148 4.947 -0.508
118 HD3 ALY 12 HD3 ALY 12 -5.178 4.117 -1.218
119 HD2 ALY 12 HD2 ALY 12 -4.866 5.526 -2.242
120 HG3 ALY 12 HG3 ALY 12 -4.309 6.751 -0.015
121 HG2 ALY 12 HG2 ALY 12 -4.205 5.128 0.684
122 HB3 ALY 12 HB3 ALY 12 -2.279 4.630 -0.394
123 HB2 ALY 12 HB2 ALY 12 -2.770 5.450 -1.870
124 HCA ALY 12 HA ALY 12 -2.367 7.548 -0.065
125 H ALY 12 H ALY 12 -0.429 6.548 -2.111
126 H GLN 13 H GLN 13 -2.274 5.531 1.724
127 HA GLN 13 HA GLN 13 0.486 5.722 2.711
128 HB2 GLN 13 HB2 GLN 13 -1.650 6.582 3.994
129 HB3 GLN 13 HB3 GLN 13 -1.798 4.891 4.451
130 HG2 GLN 13 HG2 GLN 13 0.423 4.940 5.432
131 HG3 GLN 13 HG3 GLN 13 0.618 6.620 4.934
132 HE21 GLN 13 HE21 GLN 13 0.055 8.140 6.326
133 HE22 GLN 13 HE22 GLN 13 -0.909 7.908 7.740
134 H CYS 14 H CYS 14 1.256 3.930 1.513
135 HA CYS 14 HA CYS 14 0.167 1.398 1.371
136 HB2 CYS 14 HB2 CYS 14 2.437 2.512 0.441
137 HB3 CYS 14 HB3 CYS 14 3.106 1.534 1.743
138 HN1 NH2 15 H1 CYS 14 -0.436 0.012 3.440