Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615476 | 5h1h RC | 36023 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H CYS 1 HN CYS 1 -3.974 2.127 -0.254
2 HA CYS 1 HA CYS 1 -1.447 3.487 0.166
3 HB2 CYS 1 HB2 CYS 1 -1.718 2.897 -2.342
4 HB3 CYS 1 HB1 CYS 1 -2.938 4.167 -2.345
5 H PHE 2 HN PHE 2 -1.601 5.535 0.874
6 HA PHE 2 HA PHE 2 -4.179 6.363 1.872
7 HB2 PHE 2 HB2 PHE 2 -1.414 7.562 2.092
8 HB3 PHE 2 HB1 PHE 2 -2.839 8.304 2.812
9 HD1 PHE 2 HD1 PHE 2 -0.486 5.511 2.980
10 HD2 PHE 2 HD2 PHE 2 -3.915 7.318 4.739
11 HE1 PHE 2 HE1 PHE 2 -0.198 4.104 4.979
12 HE2 PHE 2 HE2 PHE 2 -3.633 5.914 6.740
13 HZ PHE 2 HZ PHE 2 -1.773 4.305 6.862
14 HA PRO 3 HA PRO 3 -5.359 9.279 -1.300
15 HB2 PRO 3 HB2 PRO 3 -6.053 11.322 0.712
16 HB3 PRO 3 HB1 PRO 3 -7.105 10.479 -0.441
17 HG2 PRO 3 HG2 PRO 3 -7.224 9.962 2.164
18 HG3 PRO 3 HG1 PRO 3 -7.435 8.684 0.949
19 HD2 PRO 3 HD2 PRO 3 -5.024 9.329 2.605
20 HD3 PRO 3 HD1 PRO 3 -5.731 7.750 2.204
21 H ASP 4 HN ASP 4 -3.299 10.494 1.235
22 HA ASP 4 HA ASP 4 -1.964 12.257 -0.699
23 HB2 ASP 4 HB2 ASP 4 -2.782 12.970 2.123
24 HB3 ASP 4 HB1 ASP 4 -1.581 13.882 1.215
25 H GLY 5 HN GLY 5 0.086 11.712 -0.910
26 HA2 GLY 5 HA2 GLY 5 2.260 11.605 0.287
27 HA3 GLY 5 HA1 GLY 5 1.476 10.491 1.396
28 H ARG 6 HN ARG 6 2.298 8.544 1.123
29 HA ARG 6 HA ARG 6 2.489 7.441 -1.597
30 HB2 ARG 6 HB2 ARG 6 4.589 7.363 0.573
31 HB3 ARG 6 HB1 ARG 6 4.581 6.212 -0.757
32 HG2 ARG 6 HG2 ARG 6 4.796 8.041 -2.356
33 HG3 ARG 6 HG1 ARG 6 4.776 9.206 -1.031
34 HD2 ARG 6 HD2 ARG 6 6.816 8.198 -0.123
35 HD3 ARG 6 HD1 ARG 6 6.836 7.044 -1.457
36 HE ARG 6 HE ARG 6 6.783 9.576 -2.585
37 HH11 ARG 6 HH11 ARG 6 8.985 7.735 -0.562
38 HH12 ARG 6 HH12 ARG 6 10.394 8.547 -1.157
39 HH21 ARG 6 HH21 ARG 6 8.641 10.626 -3.350
40 HH22 ARG 6 HH22 ARG 6 10.197 10.183 -2.733
41 H CYS 7 HN CYS 7 3.369 4.881 -0.914
42 HA CYS 7 HA CYS 7 1.449 3.832 1.022
43 HB2 CYS 7 HB2 CYS 7 1.660 2.046 -1.244
44 HB3 CYS 7 HB1 CYS 7 0.217 2.737 -0.532
45 H LYS 8 HN LYS 8 1.969 1.755 1.859
46 HA LYS 8 HA LYS 8 4.491 0.515 1.143
47 HB2 LYS 8 HB2 LYS 8 4.085 1.908 3.785
48 HB3 LYS 8 HB1 LYS 8 5.187 0.547 3.639
49 HG2 LYS 8 HG2 LYS 8 6.462 1.767 1.942
50 HG3 LYS 8 HG1 LYS 8 5.357 3.134 2.103
51 HD2 LYS 8 HD2 LYS 8 5.998 3.372 4.454
52 HD3 LYS 8 HD1 LYS 8 7.098 2.000 4.294
53 HE2 LYS 8 HE2 LYS 8 8.381 3.231 2.611
54 HE3 LYS 8 HE1 LYS 8 7.282 4.600 2.774
55 HZ1 LYS 8 HZ1 LYS 8 9.298 4.933 4.055
56 HZ2 LYS 8 HZ2 LYS 8 9.017 3.509 4.924
57 HZ3 LYS 8 HZ3 LYS 8 7.959 4.819 5.086
58 H ARG 9 HN ARG 9 3.757 -1.475 0.830
59 HA ARG 9 HA ARG 9 2.588 -2.922 3.068
60 HB2 ARG 9 HB2 ARG 9 1.223 -2.577 0.403
61 HB3 ARG 9 HB1 ARG 9 0.908 -3.981 1.411
62 HG2 ARG 9 HG2 ARG 9 0.634 -1.258 2.596
63 HG3 ARG 9 HG1 ARG 9 -0.635 -1.873 1.536
64 HD2 ARG 9 HD2 ARG 9 -0.863 -3.851 2.968
65 HD3 ARG 9 HD1 ARG 9 0.398 -3.223 4.030
66 HE ARG 9 HE ARG 9 -1.545 -1.257 3.858
67 HH11 ARG 9 HH11 ARG 9 -1.376 -4.560 5.040
68 HH12 ARG 9 HH12 ARG 9 -2.607 -4.318 6.234
69 HH21 ARG 9 HH21 ARG 9 -3.154 -0.963 5.427
70 HH22 ARG 9 HH22 ARG 9 -3.613 -2.282 6.451
71 HA PRO 10 HA PRO 10 5.200 -6.177 1.469
72 HB2 PRO 10 HB2 PRO 10 3.340 -8.288 2.274
73 HB3 PRO 10 HB1 PRO 10 4.903 -7.857 2.987
74 HG2 PRO 10 HG2 PRO 10 2.578 -7.461 4.274
75 HG3 PRO 10 HG1 PRO 10 3.982 -6.394 4.478
76 HD2 PRO 10 HD2 PRO 10 1.533 -5.983 2.803
77 HD3 PRO 10 HD1 PRO 10 2.388 -4.836 3.855
78 HA PRO 11 HA PRO 11 3.687 -7.619 -2.494
79 HB2 PRO 11 HB2 PRO 11 5.139 -10.163 -2.324
80 HB3 PRO 11 HB1 PRO 11 5.447 -8.771 -3.378
81 HG2 PRO 11 HG2 PRO 11 7.113 -9.442 -1.389
82 HG3 PRO 11 HG1 PRO 11 6.841 -7.757 -1.877
83 HD2 PRO 11 HD2 PRO 11 5.686 -9.255 0.446
84 HD3 PRO 11 HD1 PRO 11 6.335 -7.604 0.377
85 H GLY 12 HN GLY 12 1.717 -8.337 -2.920
86 HA2 GLY 12 HA2 GLY 12 0.930 -11.036 -2.124
87 HA3 GLY 12 HA1 GLY 12 -0.057 -9.711 -1.523
88 H PHE 13 HN PHE 13 -1.639 -8.931 -2.771
89 HA PHE 13 HA PHE 13 -1.626 -9.491 -5.649
90 HB2 PHE 13 HB2 PHE 13 -3.851 -10.236 -3.744
91 HB3 PHE 13 HB1 PHE 13 -4.070 -10.133 -5.487
92 HD1 PHE 13 HD1 PHE 13 -2.549 -12.019 -2.748
93 HD2 PHE 13 HD2 PHE 13 -3.108 -11.787 -6.960
94 HE1 PHE 13 HE1 PHE 13 -1.773 -14.343 -2.974
95 HE2 PHE 13 HE2 PHE 13 -2.333 -14.111 -7.194
96 HZ PHE 13 HZ PHE 13 -1.665 -15.392 -5.199
97 H SER 14 HN SER 14 -3.124 -7.751 -2.947
98 HA SER 14 HA SER 14 -3.593 -5.473 -4.724
99 HB2 SER 14 HB2 SER 14 -5.655 -6.581 -2.806
100 HB3 SER 14 HB1 SER 14 -5.814 -5.076 -3.711
101 HG SER 14 HG SER 14 -6.239 -7.632 -4.520
102 HA PRO 15 HA PRO 15 -1.578 -3.944 -0.866
103 HB2 PRO 15 HB2 PRO 15 -0.212 -1.875 -1.932
104 HB3 PRO 15 HB1 PRO 15 0.349 -3.550 -2.092
105 HG2 PRO 15 HG2 PRO 15 -1.068 -1.838 -4.074
106 HG3 PRO 15 HG1 PRO 15 0.293 -2.954 -4.311
107 HD2 PRO 15 HD2 PRO 15 -2.311 -3.603 -4.892
108 HD3 PRO 15 HD1 PRO 15 -1.071 -4.798 -4.466
109 H LEU 16 HN LEU 16 -1.407 -1.537 0.016
110 HA LEU 16 HA LEU 16 -3.955 -0.168 -0.561
111 HB2 LEU 16 HB2 LEU 16 -3.674 -1.492 1.671
112 HB3 LEU 16 HB1 LEU 16 -2.671 -0.140 2.152
113 HG LEU 16 HG LEU 16 -4.788 1.273 1.445
114 HD11 LEU 16 HD11 LEU 16 -6.070 -0.606 0.573
115 HD12 LEU 16 HD12 LEU 16 -6.875 0.107 1.970
116 HD13 LEU 16 HD13 LEU 16 -5.987 -1.407 2.143
117 HD21 LEU 16 HD21 LEU 16 -5.566 1.149 3.768
118 HD22 LEU 16 HD22 LEU 16 -3.809 1.238 3.666
119 HD23 LEU 16 HD23 LEU 16 -4.594 -0.302 4.008
Start of MODEL 2
1 H CYS 1 HN CYS 1 -3.738 2.324 -1.026
2 HA CYS 1 HA CYS 1 -1.531 3.255 0.626
3 HB2 CYS 1 HB2 CYS 1 -1.831 4.132 -2.268
4 HB3 CYS 1 HB1 CYS 1 -0.737 4.865 -1.104
5 H PHE 2 HN PHE 2 -1.645 5.577 1.070
6 HA PHE 2 HA PHE 2 -4.449 6.447 1.173
7 HB2 PHE 2 HB2 PHE 2 -2.070 7.184 2.877
8 HB3 PHE 2 HB1 PHE 2 -3.625 7.996 2.993
9 HD1 PHE 2 HD1 PHE 2 -5.538 6.887 3.969
10 HD2 PHE 2 HD2 PHE 2 -1.782 4.911 3.660
11 HE1 PHE 2 HE1 PHE 2 -6.316 5.170 5.549
12 HE2 PHE 2 HE2 PHE 2 -2.554 3.188 5.239
13 HZ PHE 2 HZ PHE 2 -4.823 3.317 6.186
14 HA PRO 3 HA PRO 3 -3.385 9.831 -1.581
15 HB2 PRO 3 HB2 PRO 3 -5.751 11.316 -0.868
16 HB3 PRO 3 HB1 PRO 3 -5.485 10.313 -2.303
17 HG2 PRO 3 HG2 PRO 3 -7.275 9.711 -0.331
18 HG3 PRO 3 HG1 PRO 3 -6.527 8.515 -1.408
19 HD2 PRO 3 HD2 PRO 3 -5.813 9.226 1.408
20 HD3 PRO 3 HD1 PRO 3 -5.878 7.636 0.620
21 H ASP 4 HN ASP 4 -3.064 10.064 1.636
22 HA ASP 4 HA ASP 4 -2.973 12.948 1.922
23 HB2 ASP 4 HB2 ASP 4 -3.643 11.147 3.711
24 HB3 ASP 4 HB1 ASP 4 -1.908 11.059 3.985
25 H GLY 5 HN GLY 5 -0.780 10.349 1.282
26 HA2 GLY 5 HA2 GLY 5 1.280 11.405 0.108
27 HA3 GLY 5 HA1 GLY 5 1.558 12.084 1.703
28 H ARG 6 HN ARG 6 0.264 8.865 1.176
29 HA ARG 6 HA ARG 6 2.852 7.665 1.878
30 HB2 ARG 6 HB2 ARG 6 0.213 7.196 3.257
31 HB3 ARG 6 HB1 ARG 6 1.525 6.030 3.338
32 HG2 ARG 6 HG2 ARG 6 2.965 7.725 4.356
33 HG3 ARG 6 HG1 ARG 6 1.642 8.890 4.280
34 HD2 ARG 6 HD2 ARG 6 0.298 7.455 5.736
35 HD3 ARG 6 HD1 ARG 6 1.620 6.291 5.811
36 HE ARG 6 HE ARG 6 2.574 8.797 6.635
37 HH11 ARG 6 HH11 ARG 6 0.406 6.287 7.791
38 HH12 ARG 6 HH12 ARG 6 0.670 6.668 9.460
39 HH21 ARG 6 HH21 ARG 6 2.905 9.277 8.825
40 HH22 ARG 6 HH22 ARG 6 2.083 8.360 10.044
41 H CYS 7 HN CYS 7 3.102 5.470 1.238
42 HA CYS 7 HA CYS 7 1.193 4.009 -0.182
43 HB2 CYS 7 HB2 CYS 7 1.896 5.899 -1.843
44 HB3 CYS 7 HB1 CYS 7 3.329 4.900 -2.062
45 H LYS 8 HN LYS 8 1.686 1.954 -0.090
46 HA LYS 8 HA LYS 8 4.488 1.097 -0.052
47 HB2 LYS 8 HB2 LYS 8 2.425 0.458 2.061
48 HB3 LYS 8 HB1 LYS 8 3.858 -0.531 1.818
49 HG2 LYS 8 HG2 LYS 8 5.276 1.399 2.300
50 HG3 LYS 8 HG1 LYS 8 3.839 2.395 2.537
51 HD2 LYS 8 HD2 LYS 8 3.152 0.957 4.396
52 HD3 LYS 8 HD1 LYS 8 4.589 -0.040 4.155
53 HE2 LYS 8 HE2 LYS 8 6.008 1.892 4.645
54 HE3 LYS 8 HE1 LYS 8 4.572 2.887 4.884
55 HZ1 LYS 8 HZ1 LYS 8 5.479 2.123 6.986
56 HZ2 LYS 8 HZ2 LYS 8 5.316 0.512 6.503
57 HZ3 LYS 8 HZ3 LYS 8 3.940 1.467 6.734
58 H ARG 9 HN ARG 9 4.745 -1.220 -0.493
59 HA ARG 9 HA ARG 9 2.413 -2.525 -1.693
60 HB2 ARG 9 HB2 ARG 9 5.020 -1.983 -3.123
61 HB3 ARG 9 HB1 ARG 9 3.875 -3.203 -3.660
62 HG2 ARG 9 HG2 ARG 9 2.167 -1.457 -3.931
63 HG3 ARG 9 HG1 ARG 9 3.351 -0.245 -3.437
64 HD2 ARG 9 HD2 ARG 9 4.761 -0.847 -5.341
65 HD3 ARG 9 HD1 ARG 9 3.583 -2.062 -5.833
66 HE ARG 9 HE ARG 9 2.305 0.433 -5.641
67 HH11 ARG 9 HH11 ARG 9 4.643 -1.202 -7.691
68 HH12 ARG 9 HH12 ARG 9 4.232 -0.274 -9.095
69 HH21 ARG 9 HH21 ARG 9 1.782 1.633 -7.492
70 HH22 ARG 9 HH22 ARG 9 2.613 1.329 -8.982
71 HA PRO 10 HA PRO 10 4.891 -5.576 0.767
72 HB2 PRO 10 HB2 PRO 10 2.367 -6.516 1.858
73 HB3 PRO 10 HB1 PRO 10 3.714 -5.743 2.712
74 HG2 PRO 10 HG2 PRO 10 1.293 -4.568 2.392
75 HG3 PRO 10 HG1 PRO 10 2.812 -3.662 2.546
76 HD2 PRO 10 HD2 PRO 10 1.261 -4.331 0.074
77 HD3 PRO 10 HD1 PRO 10 2.064 -2.810 0.529
78 HA PRO 11 HA PRO 11 3.915 -9.078 -1.855
79 HB2 PRO 11 HB2 PRO 11 4.617 -11.071 0.148
80 HB3 PRO 11 HB1 PRO 11 5.543 -10.558 -1.273
81 HG2 PRO 11 HG2 PRO 11 6.336 -10.050 1.262
82 HG3 PRO 11 HG1 PRO 11 6.733 -9.002 -0.115
83 HD2 PRO 11 HD2 PRO 11 4.604 -8.658 1.964
84 HD3 PRO 11 HD1 PRO 11 5.708 -7.454 1.267
85 H GLY 12 HN GLY 12 1.878 -9.578 -2.341
86 HA2 GLY 12 HA2 GLY 12 0.406 -11.485 -0.790
87 HA3 GLY 12 HA1 GLY 12 -0.291 -9.874 -0.693
88 H PHE 13 HN PHE 13 -1.532 -9.141 -2.315
89 HA PHE 13 HA PHE 13 -1.525 -10.481 -4.908
90 HB2 PHE 13 HB2 PHE 13 -3.952 -10.343 -3.109
91 HB3 PHE 13 HB1 PHE 13 -4.058 -10.640 -4.839
92 HD1 PHE 13 HD1 PHE 13 -3.214 -12.733 -5.793
93 HD2 PHE 13 HD2 PHE 13 -3.193 -12.030 -1.595
94 HE1 PHE 13 HE1 PHE 13 -2.879 -15.137 -5.396
95 HE2 PHE 13 HE2 PHE 13 -2.856 -14.434 -1.191
96 HZ PHE 13 HZ PHE 13 -2.698 -15.991 -3.093
97 H SER 14 HN SER 14 -3.034 -7.948 -2.906
98 HA SER 14 HA SER 14 -2.711 -6.038 -5.075
99 HB2 SER 14 HB2 SER 14 -5.381 -6.526 -3.731
100 HB3 SER 14 HB1 SER 14 -5.033 -5.205 -4.847
101 HG SER 14 HG SER 14 -6.045 -7.137 -5.771
102 HA PRO 15 HA PRO 15 -1.707 -3.939 -1.156
103 HB2 PRO 15 HB2 PRO 15 -0.050 -2.047 -2.065
104 HB3 PRO 15 HB1 PRO 15 0.436 -3.752 -2.028
105 HG2 PRO 15 HG2 PRO 15 -0.442 -2.092 -4.330
106 HG3 PRO 15 HG1 PRO 15 0.828 -3.328 -4.244
107 HD2 PRO 15 HD2 PRO 15 -1.748 -3.753 -5.227
108 HD3 PRO 15 HD1 PRO 15 -0.634 -5.025 -4.691
109 H LEU 16 HN LEU 16 -1.678 -1.551 -0.420
110 HA LEU 16 HA LEU 16 -3.687 0.090 -1.781
111 HB2 LEU 16 HB2 LEU 16 -3.841 -0.779 1.110
112 HB3 LEU 16 HB1 LEU 16 -4.787 0.535 0.442
113 HG LEU 16 HG LEU 16 -4.981 -2.160 -0.837
114 HD11 LEU 16 HD11 LEU 16 -6.759 -2.782 0.733
115 HD12 LEU 16 HD12 LEU 16 -6.386 -1.360 1.708
116 HD13 LEU 16 HD13 LEU 16 -5.193 -2.647 1.532
117 HD21 LEU 16 HD21 LEU 16 -7.281 -1.421 -1.237
118 HD22 LEU 16 HD22 LEU 16 -6.115 -0.252 -1.857
119 HD23 LEU 16 HD23 LEU 16 -6.961 0.066 -0.343
Start of MODEL 3
1 H CYS 1 HN CYS 1 -3.822 2.029 -0.222
2 HA CYS 1 HA CYS 1 -1.363 3.536 -0.641
3 HB2 CYS 1 HB2 CYS 1 -3.356 2.986 -2.781
4 HB3 CYS 1 HB1 CYS 1 -2.733 4.631 -2.671
5 H PHE 2 HN PHE 2 -1.489 5.482 0.282
6 HA PHE 2 HA PHE 2 -3.969 6.274 1.546
7 HB2 PHE 2 HB2 PHE 2 -1.169 7.391 1.658
8 HB3 PHE 2 HB1 PHE 2 -2.525 8.132 2.499
9 HD1 PHE 2 HD1 PHE 2 -3.523 7.069 4.430
10 HD2 PHE 2 HD2 PHE 2 -0.247 5.277 2.387
11 HE1 PHE 2 HE1 PHE 2 -3.167 5.555 6.337
12 HE2 PHE 2 HE2 PHE 2 0.114 3.759 4.289
13 HZ PHE 2 HZ PHE 2 -1.347 3.897 6.267
14 HA PRO 3 HA PRO 3 -5.104 9.408 -1.437
15 HB2 PRO 3 HB2 PRO 3 -6.270 11.150 0.571
16 HB3 PRO 3 HB1 PRO 3 -7.095 10.091 -0.584
17 HG2 PRO 3 HG2 PRO 3 -7.116 9.660 2.087
18 HG3 PRO 3 HG1 PRO 3 -7.240 8.361 0.884
19 HD2 PRO 3 HD2 PRO 3 -4.850 9.253 2.452
20 HD3 PRO 3 HD1 PRO 3 -5.406 7.610 2.075
21 H ASP 4 HN ASP 4 -3.011 10.198 1.140
22 HA ASP 4 HA ASP 4 -2.558 12.944 0.277
23 HB2 ASP 4 HB2 ASP 4 -1.430 11.301 2.543
24 HB3 ASP 4 HB1 ASP 4 -0.861 12.924 2.165
25 H GLY 5 HN GLY 5 -1.247 9.821 -0.245
26 HA2 GLY 5 HA2 GLY 5 0.216 9.772 -2.286
27 HA3 GLY 5 HA1 GLY 5 1.177 10.993 -1.466
28 H ARG 6 HN ARG 6 2.174 8.545 -2.434
29 HA ARG 6 HA ARG 6 3.593 6.867 -1.895
30 HB2 ARG 6 HB2 ARG 6 3.572 8.245 0.788
31 HB3 ARG 6 HB1 ARG 6 4.563 6.832 0.456
32 HG2 ARG 6 HG2 ARG 6 5.685 8.061 -1.350
33 HG3 ARG 6 HG1 ARG 6 4.710 9.481 -0.973
34 HD2 ARG 6 HD2 ARG 6 6.478 8.134 1.055
35 HD3 ARG 6 HD1 ARG 6 7.055 9.419 -0.004
36 HE ARG 6 HE ARG 6 4.723 10.299 1.279
37 HH11 ARG 6 HH11 ARG 6 8.051 9.533 2.103
38 HH12 ARG 6 HH12 ARG 6 8.091 10.628 3.444
39 HH21 ARG 6 HH21 ARG 6 4.800 11.726 3.040
40 HH22 ARG 6 HH22 ARG 6 6.252 11.867 3.974
41 H CYS 7 HN CYS 7 3.559 4.761 -1.298
42 HA CYS 7 HA CYS 7 1.503 3.812 0.553
43 HB2 CYS 7 HB2 CYS 7 1.951 2.381 -2.054
44 HB3 CYS 7 HB1 CYS 7 0.561 2.302 -0.979
45 H LYS 8 HN LYS 8 2.041 1.935 1.654
46 HA LYS 8 HA LYS 8 4.508 0.537 0.964
47 HB2 LYS 8 HB2 LYS 8 4.084 2.013 3.558
48 HB3 LYS 8 HB1 LYS 8 5.208 0.670 3.432
49 HG2 LYS 8 HG2 LYS 8 6.459 1.875 1.714
50 HG3 LYS 8 HG1 LYS 8 5.327 3.223 1.838
51 HD2 LYS 8 HD2 LYS 8 5.961 3.533 4.184
52 HD3 LYS 8 HD1 LYS 8 7.092 2.185 4.056
53 HE2 LYS 8 HE2 LYS 8 8.345 3.404 2.343
54 HE3 LYS 8 HE1 LYS 8 7.213 4.750 2.473
55 HZ1 LYS 8 HZ1 LYS 8 9.224 5.158 3.744
56 HZ2 LYS 8 HZ2 LYS 8 8.970 3.753 4.652
57 HZ3 LYS 8 HZ3 LYS 8 7.886 5.047 4.774
58 H ARG 9 HN ARG 9 3.799 -1.464 0.753
59 HA ARG 9 HA ARG 9 2.606 -2.820 3.023
60 HB2 ARG 9 HB2 ARG 9 1.189 -2.486 0.388
61 HB3 ARG 9 HB1 ARG 9 0.899 -3.906 1.382
62 HG2 ARG 9 HG2 ARG 9 0.634 -1.187 2.588
63 HG3 ARG 9 HG1 ARG 9 -0.658 -1.828 1.575
64 HD2 ARG 9 HD2 ARG 9 -0.863 -3.770 3.019
65 HD3 ARG 9 HD1 ARG 9 0.487 -3.207 4.002
66 HE ARG 9 HE ARG 9 -1.429 -1.188 3.976
67 HH11 ARG 9 HH11 ARG 9 -1.162 -4.477 5.181
68 HH12 ARG 9 HH12 ARG 9 -2.272 -4.212 6.484
69 HH21 ARG 9 HH21 ARG 9 -2.876 -0.863 5.692
70 HH22 ARG 9 HH22 ARG 9 -3.240 -2.168 6.772
71 HA PRO 10 HA PRO 10 5.144 -6.155 1.472
72 HB2 PRO 10 HB2 PRO 10 3.247 -8.216 2.323
73 HB3 PRO 10 HB1 PRO 10 4.827 -7.808 3.014
74 HG2 PRO 10 HG2 PRO 10 2.529 -7.340 4.321
75 HG3 PRO 10 HG1 PRO 10 3.955 -6.296 4.486
76 HD2 PRO 10 HD2 PRO 10 1.493 -5.871 2.835
77 HD3 PRO 10 HD1 PRO 10 2.382 -4.720 3.855
78 HA PRO 11 HA PRO 11 3.564 -7.635 -2.450
79 HB2 PRO 11 HB2 PRO 11 5.043 -10.156 -2.314
80 HB3 PRO 11 HB1 PRO 11 5.342 -8.747 -3.345
81 HG2 PRO 11 HG2 PRO 11 7.009 -9.453 -1.362
82 HG3 PRO 11 HG1 PRO 11 6.753 -7.764 -1.845
83 HD2 PRO 11 HD2 PRO 11 5.587 -9.256 0.476
84 HD3 PRO 11 HD1 PRO 11 6.248 -7.610 0.409
85 H GLY 12 HN GLY 12 1.645 -8.457 -2.936
86 HA2 GLY 12 HA2 GLY 12 0.909 -11.145 -2.113
87 HA3 GLY 12 HA1 GLY 12 -0.084 -9.855 -1.454
88 H PHE 13 HN PHE 13 -1.702 -9.049 -2.645
89 HA PHE 13 HA PHE 13 -1.780 -9.569 -5.530
90 HB2 PHE 13 HB2 PHE 13 -3.941 -10.359 -3.568
91 HB3 PHE 13 HB1 PHE 13 -4.206 -10.243 -5.303
92 HD1 PHE 13 HD1 PHE 13 -3.250 -11.868 -6.821
93 HD2 PHE 13 HD2 PHE 13 -2.612 -12.143 -2.622
94 HE1 PHE 13 HE1 PHE 13 -2.460 -14.181 -7.097
95 HE2 PHE 13 HE2 PHE 13 -1.819 -14.457 -2.891
96 HZ PHE 13 HZ PHE 13 -1.741 -15.479 -5.130
97 H SER 14 HN SER 14 -3.140 -7.860 -2.747
98 HA SER 14 HA SER 14 -3.784 -5.601 -4.500
99 HB2 SER 14 HB2 SER 14 -5.619 -6.698 -2.359
100 HB3 SER 14 HB1 SER 14 -5.890 -5.209 -3.263
101 HG SER 14 HG SER 14 -5.442 -7.094 -5.039
102 HA PRO 15 HA PRO 15 -1.394 -4.001 -0.892
103 HB2 PRO 15 HB2 PRO 15 -0.107 -1.983 -2.135
104 HB3 PRO 15 HB1 PRO 15 0.415 -3.670 -2.304
105 HG2 PRO 15 HG2 PRO 15 -1.155 -1.983 -4.189
106 HG3 PRO 15 HG1 PRO 15 0.157 -3.131 -4.523
107 HD2 PRO 15 HD2 PRO 15 -2.506 -3.741 -4.834
108 HD3 PRO 15 HD1 PRO 15 -1.248 -4.949 -4.511
109 H LEU 16 HN LEU 16 -1.115 -1.584 -0.093
110 HA LEU 16 HA LEU 16 -3.751 -0.288 -0.333
111 HB2 LEU 16 HB2 LEU 16 -2.910 -1.314 1.907
112 HB3 LEU 16 HB1 LEU 16 -1.885 0.103 1.988
113 HG LEU 16 HG LEU 16 -4.768 0.613 1.527
114 HD11 LEU 16 HD11 LEU 16 -3.709 -0.363 4.176
115 HD12 LEU 16 HD12 LEU 16 -4.889 -1.186 3.155
116 HD13 LEU 16 HD13 LEU 16 -5.296 0.356 3.907
117 HD21 LEU 16 HD21 LEU 16 -3.142 2.427 1.755
118 HD22 LEU 16 HD22 LEU 16 -2.696 1.830 3.353
119 HD23 LEU 16 HD23 LEU 16 -4.320 2.453 3.066
Start of MODEL 4
1 H CYS 1 HN CYS 1 -4.070 2.071 -0.235
2 HA CYS 1 HA CYS 1 -1.543 3.506 -0.424
3 HB2 CYS 1 HB2 CYS 1 -2.719 2.405 -2.743
4 HB3 CYS 1 HB1 CYS 1 -3.075 4.127 -2.789
5 H PHE 2 HN PHE 2 -1.814 5.408 0.512
6 HA PHE 2 HA PHE 2 -4.520 6.481 0.812
7 HB2 PHE 2 HB2 PHE 2 -1.952 7.051 2.292
8 HB3 PHE 2 HB1 PHE 2 -3.428 7.975 2.541
9 HD1 PHE 2 HD1 PHE 2 -5.320 7.013 3.693
10 HD2 PHE 2 HD2 PHE 2 -1.768 4.757 3.055
11 HE1 PHE 2 HE1 PHE 2 -6.080 5.356 5.344
12 HE2 PHE 2 HE2 PHE 2 -2.522 3.096 4.704
13 HZ PHE 2 HZ PHE 2 -4.681 3.393 5.852
14 HA PRO 3 HA PRO 3 -3.524 9.819 -2.014
15 HB2 PRO 3 HB2 PRO 3 -5.631 11.503 -0.995
16 HB3 PRO 3 HB1 PRO 3 -5.646 10.500 -2.453
17 HG2 PRO 3 HG2 PRO 3 -7.213 10.035 -0.265
18 HG3 PRO 3 HG1 PRO 3 -6.722 8.790 -1.429
19 HD2 PRO 3 HD2 PRO 3 -5.583 9.404 1.267
20 HD3 PRO 3 HD1 PRO 3 -5.897 7.834 0.500
21 H ASP 4 HN ASP 4 -2.943 10.053 1.229
22 HA ASP 4 HA ASP 4 -2.421 12.906 1.351
23 HB2 ASP 4 HB2 ASP 4 -3.301 11.347 3.265
24 HB3 ASP 4 HB1 ASP 4 -1.594 10.984 3.494
25 H GLY 5 HN GLY 5 -0.620 9.906 1.192
26 HA2 GLY 5 HA2 GLY 5 1.491 10.243 -0.207
27 HA3 GLY 5 HA1 GLY 5 1.904 11.425 1.023
28 H ARG 6 HN ARG 6 0.276 8.462 1.885
29 HA ARG 6 HA ARG 6 2.802 7.317 2.855
30 HB2 ARG 6 HB2 ARG 6 0.254 7.704 4.429
31 HB3 ARG 6 HB1 ARG 6 1.480 6.538 4.904
32 HG2 ARG 6 HG2 ARG 6 3.120 8.334 5.115
33 HG3 ARG 6 HG1 ARG 6 1.903 9.509 4.616
34 HD2 ARG 6 HD2 ARG 6 1.567 7.720 7.015
35 HD3 ARG 6 HD1 ARG 6 2.322 9.311 7.107
36 HE ARG 6 HE ARG 6 -0.185 9.534 5.841
37 HH11 ARG 6 HH11 ARG 6 1.154 8.950 9.036
38 HH12 ARG 6 HH12 ARG 6 -0.222 9.607 9.857
39 HH21 ARG 6 HH21 ARG 6 -1.974 10.388 6.939
40 HH22 ARG 6 HH22 ARG 6 -1.991 10.420 8.671
41 H CYS 7 HN CYS 7 2.762 5.923 1.083
42 HA CYS 7 HA CYS 7 0.971 3.640 1.373
43 HB2 CYS 7 HB2 CYS 7 0.049 5.023 -0.431
44 HB3 CYS 7 HB1 CYS 7 1.614 5.058 -1.227
45 H LYS 8 HN LYS 8 1.772 1.681 0.604
46 HA LYS 8 HA LYS 8 4.565 1.555 -0.263
47 HB2 LYS 8 HB2 LYS 8 3.412 0.139 2.147
48 HB3 LYS 8 HB1 LYS 8 4.876 -0.407 1.344
49 HG2 LYS 8 HG2 LYS 8 5.940 1.743 1.818
50 HG3 LYS 8 HG1 LYS 8 4.469 2.289 2.626
51 HD2 LYS 8 HD2 LYS 8 4.699 0.490 4.265
52 HD3 LYS 8 HD1 LYS 8 6.161 -0.072 3.451
53 HE2 LYS 8 HE2 LYS 8 7.242 2.074 3.925
54 HE3 LYS 8 HE1 LYS 8 5.782 2.628 4.744
55 HZ1 LYS 8 HZ1 LYS 8 7.433 1.840 6.317
56 HZ2 LYS 8 HZ2 LYS 8 7.458 0.321 5.573
57 HZ3 LYS 8 HZ3 LYS 8 6.059 0.853 6.360
58 H ARG 9 HN ARG 9 4.643 0.366 -2.045
59 HA ARG 9 HA ARG 9 2.904 -1.979 -2.312
60 HB2 ARG 9 HB2 ARG 9 3.129 0.249 -4.340
61 HB3 ARG 9 HB1 ARG 9 2.459 -1.331 -4.710
62 HG2 ARG 9 HG2 ARG 9 0.672 -0.986 -3.116
63 HG3 ARG 9 HG1 ARG 9 1.374 0.555 -2.623
64 HD2 ARG 9 HD2 ARG 9 0.507 -0.032 -5.446
65 HD3 ARG 9 HD1 ARG 9 -0.566 0.677 -4.242
66 HE ARG 9 HE ARG 9 1.733 2.229 -4.288
67 HH11 ARG 9 HH11 ARG 9 -0.850 1.426 -6.527
68 HH12 ARG 9 HH12 ARG 9 -0.724 2.923 -7.388
69 HH21 ARG 9 HH21 ARG 9 1.886 4.179 -5.435
70 HH22 ARG 9 HH22 ARG 9 0.823 4.480 -6.771
71 HA PRO 10 HA PRO 10 7.078 -3.335 -3.636
72 HB2 PRO 10 HB2 PRO 10 5.978 -6.046 -3.378
73 HB3 PRO 10 HB1 PRO 10 7.324 -5.304 -2.497
74 HG2 PRO 10 HG2 PRO 10 4.998 -5.893 -1.306
75 HG3 PRO 10 HG1 PRO 10 5.982 -4.490 -0.837
76 HD2 PRO 10 HD2 PRO 10 3.523 -4.580 -2.544
77 HD3 PRO 10 HD1 PRO 10 3.981 -3.424 -1.274
78 HA PRO 11 HA PRO 11 6.250 -4.377 -7.913
79 HB2 PRO 11 HB2 PRO 11 8.399 -6.383 -8.027
80 HB3 PRO 11 HB1 PRO 11 8.295 -4.807 -8.833
81 HG2 PRO 11 HG2 PRO 11 10.027 -5.261 -6.848
82 HG3 PRO 11 HG1 PRO 11 9.244 -3.683 -7.079
83 HD2 PRO 11 HD2 PRO 11 8.570 -5.852 -5.127
84 HD3 PRO 11 HD1 PRO 11 8.658 -4.096 -4.877
85 H GLY 12 HN GLY 12 4.407 -5.450 -8.270
86 HA2 GLY 12 HA2 GLY 12 3.714 -7.645 -9.259
87 HA3 GLY 12 HA1 GLY 12 4.371 -8.368 -7.802
88 H PHE 13 HN PHE 13 3.383 -6.722 -5.828
89 HA PHE 13 HA PHE 13 0.460 -6.917 -6.153
90 HB2 PHE 13 HB2 PHE 13 1.713 -8.733 -4.725
91 HB3 PHE 13 HB1 PHE 13 1.754 -7.466 -3.505
92 HD1 PHE 13 HD1 PHE 13 -0.405 -9.709 -5.442
93 HD2 PHE 13 HD2 PHE 13 -0.243 -6.769 -2.369
94 HE1 PHE 13 HE1 PHE 13 -2.689 -10.312 -4.751
95 HE2 PHE 13 HE2 PHE 13 -2.527 -7.366 -1.673
96 HZ PHE 13 HZ PHE 13 -3.751 -9.139 -2.864
97 H SER 14 HN SER 14 -0.798 -5.578 -4.699
98 HA SER 14 HA SER 14 0.566 -3.294 -3.497
99 HB2 SER 14 HB2 SER 14 -1.673 -3.041 -5.523
100 HB3 SER 14 HB1 SER 14 -1.017 -1.710 -4.572
101 HG SER 14 HG SER 14 -0.070 -1.823 -6.649
102 HA PRO 15 HA PRO 15 -2.809 -4.579 -0.732
103 HB2 PRO 15 HB2 PRO 15 -1.814 -3.766 1.625
104 HB3 PRO 15 HB1 PRO 15 -1.195 -5.197 0.782
105 HG2 PRO 15 HG2 PRO 15 0.011 -2.516 1.070
106 HG3 PRO 15 HG1 PRO 15 0.790 -4.101 0.916
107 HD2 PRO 15 HD2 PRO 15 0.419 -2.202 -1.155
108 HD3 PRO 15 HD1 PRO 15 0.964 -3.879 -1.339
109 H LEU 16 HN LEU 16 -1.438 -1.458 0.284
110 HA LEU 16 HA LEU 16 -4.071 -0.206 -0.056
111 HB2 LEU 16 HB2 LEU 16 -2.417 -0.106 2.468
112 HB3 LEU 16 HB1 LEU 16 -3.766 0.964 2.145
113 HG LEU 16 HG LEU 16 -4.246 -1.981 2.034
114 HD11 LEU 16 HD11 LEU 16 -2.963 -1.707 4.083
115 HD12 LEU 16 HD12 LEU 16 -4.658 -2.030 4.448
116 HD13 LEU 16 HD13 LEU 16 -4.023 -0.391 4.587
117 HD21 LEU 16 HD21 LEU 16 -6.430 -1.307 2.907
118 HD22 LEU 16 HD22 LEU 16 -6.031 -0.421 1.435
119 HD23 LEU 16 HD23 LEU 16 -5.880 0.365 3.006
Start of MODEL 5
1 H CYS 1 HN CYS 1 -4.143 2.331 -1.022
2 HA CYS 1 HA CYS 1 -1.784 4.030 -1.237
3 HB2 CYS 1 HB2 CYS 1 -3.862 3.862 -3.332
4 HB3 CYS 1 HB1 CYS 1 -3.461 5.495 -2.807
5 H PHE 2 HN PHE 2 -1.872 5.595 0.207
6 HA PHE 2 HA PHE 2 -4.361 6.067 1.655
7 HB2 PHE 2 HB2 PHE 2 -1.480 6.773 2.235
8 HB3 PHE 2 HB1 PHE 2 -2.818 7.339 3.229
9 HD1 PHE 2 HD1 PHE 2 -4.037 5.816 4.658
10 HD2 PHE 2 HD2 PHE 2 -0.809 4.450 2.245
11 HE1 PHE 2 HE1 PHE 2 -3.952 3.731 5.961
12 HE2 PHE 2 HE2 PHE 2 -0.719 2.361 3.542
13 HZ PHE 2 HZ PHE 2 -2.292 1.999 5.402
14 HA PRO 3 HA PRO 3 -5.014 10.141 -0.085
15 HB2 PRO 3 HB2 PRO 3 -5.765 11.343 2.470
16 HB3 PRO 3 HB1 PRO 3 -6.800 10.912 1.098
17 HG2 PRO 3 HG2 PRO 3 -6.915 9.620 3.453
18 HG3 PRO 3 HG1 PRO 3 -7.240 8.822 1.900
19 HD2 PRO 3 HD2 PRO 3 -4.746 8.766 3.558
20 HD3 PRO 3 HD1 PRO 3 -5.575 7.437 2.722
21 H ASP 4 HN ASP 4 -2.422 9.606 1.784
22 HA ASP 4 HA ASP 4 -1.621 12.350 2.292
23 HB2 ASP 4 HB2 ASP 4 -0.283 9.698 2.811
24 HB3 ASP 4 HB1 ASP 4 0.505 11.241 3.125
25 H GLY 5 HN GLY 5 -1.062 9.861 -0.056
26 HA2 GLY 5 HA2 GLY 5 -0.395 10.802 -2.283
27 HA3 GLY 5 HA1 GLY 5 0.909 11.594 -1.417
28 H ARG 6 HN ARG 6 1.545 9.332 0.277
29 HA ARG 6 HA ARG 6 3.051 7.769 -1.680
30 HB2 ARG 6 HB2 ARG 6 3.333 8.172 1.290
31 HB3 ARG 6 HB1 ARG 6 4.232 6.928 0.434
32 HG2 ARG 6 HG2 ARG 6 5.229 8.662 -0.998
33 HG3 ARG 6 HG1 ARG 6 4.366 9.894 -0.075
34 HD2 ARG 6 HD2 ARG 6 5.537 9.196 1.953
35 HD3 ARG 6 HD1 ARG 6 6.388 7.953 1.040
36 HE ARG 6 HE ARG 6 6.796 10.520 -0.103
37 HH11 ARG 6 HH11 ARG 6 7.851 8.517 2.582
38 HH12 ARG 6 HH12 ARG 6 9.386 9.307 2.717
39 HH21 ARG 6 HH21 ARG 6 8.811 11.538 0.092
40 HH22 ARG 6 HH22 ARG 6 9.928 11.016 1.308
41 H CYS 7 HN CYS 7 3.097 5.533 -1.725
42 HA CYS 7 HA CYS 7 1.142 4.046 -0.144
43 HB2 CYS 7 HB2 CYS 7 1.440 3.552 -3.103
44 HB3 CYS 7 HB1 CYS 7 0.150 3.019 -2.032
45 H LYS 8 HN LYS 8 1.574 1.803 0.042
46 HA LYS 8 HA LYS 8 4.157 0.838 -0.958
47 HB2 LYS 8 HB2 LYS 8 3.315 0.918 1.941
48 HB3 LYS 8 HB1 LYS 8 4.563 -0.172 1.353
49 HG2 LYS 8 HG2 LYS 8 5.888 1.738 0.606
50 HG3 LYS 8 HG1 LYS 8 4.631 2.835 1.181
51 HD2 LYS 8 HD2 LYS 8 4.956 2.006 3.463
52 HD3 LYS 8 HD1 LYS 8 6.214 0.912 2.886
53 HE2 LYS 8 HE2 LYS 8 7.542 2.830 2.150
54 HE3 LYS 8 HE1 LYS 8 6.282 3.923 2.721
55 HZ1 LYS 8 HZ1 LYS 8 7.854 2.060 4.419
56 HZ2 LYS 8 HZ2 LYS 8 6.645 3.110 4.967
57 HZ3 LYS 8 HZ3 LYS 8 8.078 3.734 4.321
58 H ARG 9 HN ARG 9 4.383 -1.479 -0.922
59 HA ARG 9 HA ARG 9 1.947 -3.018 -0.431
60 HB2 ARG 9 HB2 ARG 9 2.262 -4.222 -2.640
61 HB3 ARG 9 HB1 ARG 9 1.665 -2.576 -2.746
62 HG2 ARG 9 HG2 ARG 9 3.871 -1.790 -3.405
63 HG3 ARG 9 HG1 ARG 9 4.522 -3.419 -3.228
64 HD2 ARG 9 HD2 ARG 9 4.143 -3.156 -5.531
65 HD3 ARG 9 HD1 ARG 9 2.794 -4.131 -4.952
66 HE ARG 9 HE ARG 9 1.988 -1.471 -4.856
67 HH11 ARG 9 HH11 ARG 9 2.897 -3.794 -7.331
68 HH12 ARG 9 HH12 ARG 9 1.906 -3.057 -8.546
69 HH21 ARG 9 HH21 ARG 9 0.700 -0.526 -6.464
70 HH22 ARG 9 HH22 ARG 9 0.664 -1.210 -8.055
71 HA PRO 10 HA PRO 10 5.539 -5.171 1.524
72 HB2 PRO 10 HB2 PRO 10 3.282 -6.554 2.876
73 HB3 PRO 10 HB1 PRO 10 4.741 -5.826 3.565
74 HG2 PRO 10 HG2 PRO 10 2.374 -4.642 3.801
75 HG3 PRO 10 HG1 PRO 10 3.868 -3.712 3.579
76 HD2 PRO 10 HD2 PRO 10 1.701 -4.289 1.620
77 HD3 PRO 10 HD1 PRO 10 2.713 -2.846 1.796
78 HA PRO 11 HA PRO 11 4.074 -9.456 -0.018
79 HB2 PRO 11 HB2 PRO 11 1.491 -9.427 -1.278
80 HB3 PRO 11 HB1 PRO 11 1.956 -10.234 0.229
81 HG2 PRO 11 HG2 PRO 11 0.214 -8.129 0.090
82 HG3 PRO 11 HG1 PRO 11 1.161 -8.559 1.528
83 HD2 PRO 11 HD2 PRO 11 1.691 -6.436 -0.513
84 HD3 PRO 11 HD1 PRO 11 1.882 -6.384 1.250
85 H GLY 12 HN GLY 12 2.583 -7.040 -2.111
86 HA2 GLY 12 HA2 GLY 12 3.417 -6.338 -4.210
87 HA3 GLY 12 HA1 GLY 12 4.375 -7.807 -4.292
88 H PHE 13 HN PHE 13 0.965 -7.848 -3.495
89 HA PHE 13 HA PHE 13 0.310 -8.821 -6.194
90 HB2 PHE 13 HB2 PHE 13 -0.434 -10.120 -3.568
91 HB3 PHE 13 HB1 PHE 13 -1.227 -10.504 -5.091
92 HD1 PHE 13 HD1 PHE 13 1.835 -10.823 -3.125
93 HD2 PHE 13 HD2 PHE 13 -0.072 -11.751 -6.815
94 HE1 PHE 13 HE1 PHE 13 3.588 -12.480 -3.609
95 HE2 PHE 13 HE2 PHE 13 1.678 -13.409 -7.307
96 HZ PHE 13 HZ PHE 13 3.511 -13.776 -5.702
97 H SER 14 HN SER 14 -0.938 -7.612 -3.105
98 HA SER 14 HA SER 14 -3.136 -6.298 -4.555
99 HB2 SER 14 HB2 SER 14 -3.924 -8.180 -3.111
100 HB3 SER 14 HB1 SER 14 -3.252 -7.342 -1.713
101 HG SER 14 HG SER 14 -4.733 -5.723 -1.977
102 HA PRO 15 HA PRO 15 -0.614 -3.006 -2.512
103 HB2 PRO 15 HB2 PRO 15 -0.807 -1.107 -4.403
104 HB3 PRO 15 HB1 PRO 15 0.287 -2.491 -4.588
105 HG2 PRO 15 HG2 PRO 15 -2.410 -2.052 -5.771
106 HG3 PRO 15 HG1 PRO 15 -0.930 -2.670 -6.534
107 HD2 PRO 15 HD2 PRO 15 -2.938 -4.303 -5.633
108 HD3 PRO 15 HD1 PRO 15 -1.238 -4.806 -5.719
109 H LEU 16 HN LEU 16 -1.081 -0.680 -2.038
110 HA LEU 16 HA LEU 16 -3.903 0.049 -1.896
111 HB2 LEU 16 HB2 LEU 16 -2.121 -0.235 0.534
112 HB3 LEU 16 HB1 LEU 16 -3.648 0.625 0.543
113 HG LEU 16 HG LEU 16 -4.466 -1.769 -0.417
114 HD11 LEU 16 HD11 LEU 16 -3.386 -3.538 0.866
115 HD12 LEU 16 HD12 LEU 16 -2.210 -2.380 1.488
116 HD13 LEU 16 HD13 LEU 16 -2.244 -2.765 -0.234
117 HD21 LEU 16 HD21 LEU 16 -5.226 -2.241 1.866
118 HD22 LEU 16 HD22 LEU 16 -5.472 -0.551 1.428
119 HD23 LEU 16 HD23 LEU 16 -4.131 -1.003 2.480
Start of MODEL 6
1 H CYS 1 HN CYS 1 -3.998 2.494 -0.965
2 HA CYS 1 HA CYS 1 -1.583 4.103 -0.746
3 HB2 CYS 1 HB2 CYS 1 -2.988 3.797 -3.259
4 HB3 CYS 1 HB1 CYS 1 -3.031 5.472 -2.716
5 H PHE 2 HN PHE 2 -1.897 5.791 0.533
6 HA PHE 2 HA PHE 2 -4.623 6.398 1.402
7 HB2 PHE 2 HB2 PHE 2 -1.917 6.998 2.605
8 HB3 PHE 2 HB1 PHE 2 -3.416 7.658 3.250
9 HD1 PHE 2 HD1 PHE 2 -5.009 6.241 4.397
10 HD2 PHE 2 HD2 PHE 2 -1.380 4.654 2.841
11 HE1 PHE 2 HE1 PHE 2 -5.328 4.206 5.741
12 HE2 PHE 2 HE2 PHE 2 -1.693 2.614 4.182
13 HZ PHE 2 HZ PHE 2 -3.669 2.388 5.634
14 HA PRO 3 HA PRO 3 -4.614 10.412 -0.579
15 HB2 PRO 3 HB2 PRO 3 -5.982 11.737 1.629
16 HB3 PRO 3 HB1 PRO 3 -6.633 11.249 0.056
17 HG2 PRO 3 HG2 PRO 3 -7.388 10.085 2.366
18 HG3 PRO 3 HG1 PRO 3 -7.344 9.222 0.815
19 HD2 PRO 3 HD2 PRO 3 -5.348 9.180 3.049
20 HD3 PRO 3 HD1 PRO 3 -5.989 7.835 2.082
21 H ASP 4 HN ASP 4 -2.657 9.876 1.959
22 HA ASP 4 HA ASP 4 -1.923 12.622 2.559
23 HB2 ASP 4 HB2 ASP 4 -0.913 9.968 3.574
24 HB3 ASP 4 HB1 ASP 4 -0.181 11.504 4.029
25 H GLY 5 HN GLY 5 -0.808 9.976 0.611
26 HA2 GLY 5 HA2 GLY 5 0.521 10.788 -1.367
27 HA3 GLY 5 HA1 GLY 5 1.562 11.556 -0.182
28 H ARG 6 HN ARG 6 1.493 9.328 1.691
29 HA ARG 6 HA ARG 6 3.453 7.624 0.357
30 HB2 ARG 6 HB2 ARG 6 2.736 8.069 3.249
31 HB3 ARG 6 HB1 ARG 6 3.804 6.768 2.744
32 HG2 ARG 6 HG2 ARG 6 5.330 8.412 1.755
33 HG3 ARG 6 HG1 ARG 6 4.263 9.710 2.294
34 HD2 ARG 6 HD2 ARG 6 4.601 9.029 4.617
35 HD3 ARG 6 HD1 ARG 6 5.657 7.722 4.083
36 HE ARG 6 HE ARG 6 6.601 10.196 3.098
37 HH11 ARG 6 HH11 ARG 6 6.423 8.374 6.096
38 HH12 ARG 6 HH12 ARG 6 7.825 9.131 6.773
39 HH21 ARG 6 HH21 ARG 6 8.433 11.175 4.006
40 HH22 ARG 6 HH22 ARG 6 8.961 10.716 5.591
41 H CYS 7 HN CYS 7 3.289 5.444 0.126
42 HA CYS 7 HA CYS 7 0.912 4.058 1.104
43 HB2 CYS 7 HB2 CYS 7 1.899 3.745 -1.738
44 HB3 CYS 7 HB1 CYS 7 0.404 3.128 -1.048
45 H LYS 8 HN LYS 8 1.091 1.664 0.769
46 HA LYS 8 HA LYS 8 3.840 0.647 0.718
47 HB2 LYS 8 HB2 LYS 8 1.848 0.232 2.952
48 HB3 LYS 8 HB1 LYS 8 3.208 -0.851 2.692
49 HG2 LYS 8 HG2 LYS 8 4.757 1.013 3.010
50 HG3 LYS 8 HG1 LYS 8 3.390 2.099 3.276
51 HD2 LYS 8 HD2 LYS 8 2.725 0.781 5.228
52 HD3 LYS 8 HD1 LYS 8 4.086 -0.309 4.959
53 HE2 LYS 8 HE2 LYS 8 5.639 1.555 5.292
54 HE3 LYS 8 HE1 LYS 8 4.276 2.640 5.564
55 HZ1 LYS 8 HZ1 LYS 8 4.972 0.288 7.238
56 HZ2 LYS 8 HZ2 LYS 8 3.665 1.330 7.501
57 HZ3 LYS 8 HZ3 LYS 8 5.249 1.907 7.646
58 H ARG 9 HN ARG 9 3.982 -1.625 0.246
59 HA ARG 9 HA ARG 9 1.518 -2.900 -0.697
60 HB2 ARG 9 HB2 ARG 9 3.997 -2.481 -2.369
61 HB3 ARG 9 HB1 ARG 9 2.739 -3.634 -2.783
62 HG2 ARG 9 HG2 ARG 9 1.117 -1.746 -2.835
63 HG3 ARG 9 HG1 ARG 9 2.470 -0.641 -2.594
64 HD2 ARG 9 HD2 ARG 9 3.502 -1.449 -4.655
65 HD3 ARG 9 HD1 ARG 9 2.163 -2.570 -4.893
66 HE ARG 9 HE ARG 9 1.133 0.029 -4.652
67 HH11 ARG 9 HH11 ARG 9 3.023 -1.861 -6.932
68 HH12 ARG 9 HH12 ARG 9 2.488 -0.951 -8.306
69 HH21 ARG 9 HH21 ARG 9 0.446 1.204 -6.464
70 HH22 ARG 9 HH22 ARG 9 1.030 0.782 -8.039
71 HA PRO 10 HA PRO 10 3.639 -6.218 1.587
72 HB2 PRO 10 HB2 PRO 10 1.297 -7.842 0.810
73 HB3 PRO 10 HB1 PRO 10 1.889 -7.435 2.430
74 HG2 PRO 10 HG2 PRO 10 -0.364 -6.388 1.471
75 HG3 PRO 10 HG1 PRO 10 0.731 -5.461 2.517
76 HD2 PRO 10 HD2 PRO 10 0.403 -5.328 -0.455
77 HD3 PRO 10 HD1 PRO 10 0.606 -4.015 0.724
78 HA PRO 11 HA PRO 11 5.303 -8.767 -1.708
79 HB2 PRO 11 HB2 PRO 11 5.504 -11.167 -0.063
80 HB3 PRO 11 HB1 PRO 11 6.795 -10.076 -0.596
81 HG2 PRO 11 HG2 PRO 11 6.040 -10.283 1.983
82 HG3 PRO 11 HG1 PRO 11 6.673 -8.782 1.276
83 HD2 PRO 11 HD2 PRO 11 3.829 -9.555 1.815
84 HD3 PRO 11 HD1 PRO 11 4.655 -8.011 2.112
85 H GLY 12 HN GLY 12 2.246 -9.307 -0.669
86 HA2 GLY 12 HA2 GLY 12 1.845 -11.812 -2.146
87 HA3 GLY 12 HA1 GLY 12 0.692 -11.072 -1.046
88 H PHE 13 HN PHE 13 -0.913 -9.918 -1.873
89 HA PHE 13 HA PHE 13 -0.688 -8.735 -4.539
90 HB2 PHE 13 HB2 PHE 13 -2.790 -10.765 -3.753
91 HB3 PHE 13 HB1 PHE 13 -2.958 -9.698 -5.142
92 HD1 PHE 13 HD1 PHE 13 -1.289 -12.634 -3.786
93 HD2 PHE 13 HD2 PHE 13 -1.528 -9.978 -7.103
94 HE1 PHE 13 HE1 PHE 13 -0.051 -14.251 -5.165
95 HE2 PHE 13 HE2 PHE 13 -0.291 -11.591 -8.489
96 HZ PHE 13 HZ PHE 13 0.449 -13.731 -7.520
97 H SER 14 HN SER 14 -2.711 -7.420 -5.067
98 HA SER 14 HA SER 14 -4.150 -5.730 -4.657
99 HB2 SER 14 HB2 SER 14 -4.542 -7.046 -1.963
100 HB3 SER 14 HB1 SER 14 -5.545 -5.749 -2.612
101 HG SER 14 HG SER 14 -5.141 -8.156 -4.032
102 HA PRO 15 HA PRO 15 -1.056 -3.143 -2.440
103 HB2 PRO 15 HB2 PRO 15 -0.948 -1.078 -4.153
104 HB3 PRO 15 HB1 PRO 15 -0.150 -2.619 -4.521
105 HG2 PRO 15 HG2 PRO 15 -2.748 -1.559 -5.516
106 HG3 PRO 15 HG1 PRO 15 -1.448 -2.380 -6.406
107 HD2 PRO 15 HD2 PRO 15 -3.717 -3.658 -5.523
108 HD3 PRO 15 HD1 PRO 15 -2.164 -4.476 -5.786
109 H LEU 16 HN LEU 16 -1.140 -0.729 -1.788
110 HA LEU 16 HA LEU 16 -3.857 0.298 -1.460
111 HB2 LEU 16 HB2 LEU 16 -2.015 -0.383 0.827
112 HB3 LEU 16 HB1 LEU 16 -3.352 0.739 0.992
113 HG LEU 16 HG LEU 16 -4.649 -1.397 -0.049
114 HD11 LEU 16 HD11 LEU 16 -3.848 -3.411 1.064
115 HD12 LEU 16 HD12 LEU 16 -2.446 -2.528 1.668
116 HD13 LEU 16 HD13 LEU 16 -2.646 -2.787 -0.065
117 HD21 LEU 16 HD21 LEU 16 -5.319 -0.139 1.914
118 HD22 LEU 16 HD22 LEU 16 -4.028 -0.887 2.856
119 HD23 LEU 16 HD23 LEU 16 -5.361 -1.870 2.251
Start of MODEL 7
1 H CYS 1 HN CYS 1 -4.181 2.080 -0.422
2 HA CYS 1 HA CYS 1 -1.681 3.556 -0.264
3 HB2 CYS 1 HB2 CYS 1 -3.160 3.119 -2.792
4 HB3 CYS 1 HB1 CYS 1 -2.640 4.772 -2.476
5 H PHE 2 HN PHE 2 -1.954 5.414 0.749
6 HA PHE 2 HA PHE 2 -4.635 6.273 1.458
7 HB2 PHE 2 HB2 PHE 2 -1.885 7.131 2.369
8 HB3 PHE 2 HB1 PHE 2 -3.359 7.923 2.916
9 HD1 PHE 2 HD1 PHE 2 -4.883 6.807 4.429
10 HD2 PHE 2 HD2 PHE 2 -1.320 4.896 3.098
11 HE1 PHE 2 HE1 PHE 2 -5.124 5.125 6.209
12 HE2 PHE 2 HE2 PHE 2 -1.555 3.211 4.875
13 HZ PHE 2 HZ PHE 2 -3.459 3.324 6.433
14 HA PRO 3 HA PRO 3 -4.868 9.754 -1.347
15 HB2 PRO 3 HB2 PRO 3 -5.892 11.569 0.721
16 HB3 PRO 3 HB1 PRO 3 -6.731 10.888 -0.683
17 HG2 PRO 3 HG2 PRO 3 -7.333 10.146 1.814
18 HG3 PRO 3 HG1 PRO 3 -7.409 9.017 0.447
19 HD2 PRO 3 HD2 PRO 3 -5.267 9.320 2.519
20 HD3 PRO 3 HD1 PRO 3 -6.003 7.842 1.865
21 H ASP 4 HN ASP 4 -2.720 9.823 1.188
22 HA ASP 4 HA ASP 4 -1.804 12.559 0.856
23 HB2 ASP 4 HB2 ASP 4 -0.853 10.276 2.584
24 HB3 ASP 4 HB1 ASP 4 -0.019 11.825 2.505
25 H GLY 5 HN GLY 5 -1.091 9.444 -0.415
26 HA2 GLY 5 HA2 GLY 5 0.155 9.372 -2.511
27 HA3 GLY 5 HA1 GLY 5 1.245 10.566 -1.831
28 H ARG 6 HN ARG 6 0.973 8.851 0.777
29 HA ARG 6 HA ARG 6 3.204 7.079 0.094
30 HB2 ARG 6 HB2 ARG 6 2.219 8.223 2.700
31 HB3 ARG 6 HB1 ARG 6 3.388 6.911 2.648
32 HG2 ARG 6 HG2 ARG 6 4.900 8.339 1.332
33 HG3 ARG 6 HG1 ARG 6 3.735 9.659 1.462
34 HD2 ARG 6 HD2 ARG 6 3.951 9.620 3.891
35 HD3 ARG 6 HD1 ARG 6 5.091 8.280 3.777
36 HE ARG 6 HE ARG 6 5.948 10.532 2.254
37 HH11 ARG 6 HH11 ARG 6 5.847 9.287 5.537
38 HH12 ARG 6 HH12 ARG 6 7.214 10.217 6.053
39 HH21 ARG 6 HH21 ARG 6 7.735 11.738 2.952
40 HH22 ARG 6 HH22 ARG 6 8.281 11.603 4.590
41 H CYS 7 HN CYS 7 3.162 4.923 0.342
42 HA CYS 7 HA CYS 7 0.847 3.622 1.571
43 HB2 CYS 7 HB2 CYS 7 1.913 2.539 -1.020
44 HB3 CYS 7 HB1 CYS 7 0.328 2.309 -0.293
45 H LYS 8 HN LYS 8 1.325 1.724 2.623
46 HA LYS 8 HA LYS 8 3.948 0.499 2.256
47 HB2 LYS 8 HB2 LYS 8 3.034 1.749 4.843
48 HB3 LYS 8 HB1 LYS 8 4.235 0.466 4.811
49 HG2 LYS 8 HG2 LYS 8 5.686 1.848 3.418
50 HG3 LYS 8 HG1 LYS 8 4.476 3.132 3.429
51 HD2 LYS 8 HD2 LYS 8 4.684 3.299 5.866
52 HD3 LYS 8 HD1 LYS 8 5.902 2.022 5.847
53 HE2 LYS 8 HE2 LYS 8 7.348 3.423 4.457
54 HE3 LYS 8 HE1 LYS 8 6.128 4.697 4.471
55 HZ1 LYS 8 HZ1 LYS 8 7.863 5.119 6.094
56 HZ2 LYS 8 HZ2 LYS 8 7.552 3.641 6.855
57 HZ3 LYS 8 HZ3 LYS 8 6.381 4.862 6.870
58 H ARG 9 HN ARG 9 3.435 -1.522 1.825
59 HA ARG 9 HA ARG 9 2.060 -3.134 3.779
60 HB2 ARG 9 HB2 ARG 9 0.809 -2.474 1.150
61 HB3 ARG 9 HB1 ARG 9 0.650 -4.122 1.740
62 HG2 ARG 9 HG2 ARG 9 -0.225 -3.093 3.900
63 HG3 ARG 9 HG1 ARG 9 -0.359 -1.587 2.989
64 HD2 ARG 9 HD2 ARG 9 -1.850 -2.638 1.404
65 HD3 ARG 9 HD1 ARG 9 -1.644 -4.197 2.197
66 HE ARG 9 HE ARG 9 -2.613 -2.238 4.013
67 HH11 ARG 9 HH11 ARG 9 -3.681 -4.343 1.412
68 HH12 ARG 9 HH12 ARG 9 -5.316 -4.408 1.982
69 HH21 ARG 9 HH21 ARG 9 -4.758 -2.338 4.740
70 HH22 ARG 9 HH22 ARG 9 -5.924 -3.274 3.864
71 HA PRO 10 HA PRO 10 4.923 -6.149 2.144
72 HB2 PRO 10 HB2 PRO 10 3.146 -8.395 2.728
73 HB3 PRO 10 HB1 PRO 10 4.634 -7.915 3.561
74 HG2 PRO 10 HG2 PRO 10 2.209 -7.722 4.711
75 HG3 PRO 10 HG1 PRO 10 3.539 -6.601 5.069
76 HD2 PRO 10 HD2 PRO 10 1.182 -6.209 3.263
77 HD3 PRO 10 HD1 PRO 10 1.908 -5.087 4.434
78 HA PRO 11 HA PRO 11 3.693 -7.436 -1.968
79 HB2 PRO 11 HB2 PRO 11 5.246 -9.923 -1.846
80 HB3 PRO 11 HB1 PRO 11 5.544 -8.469 -2.814
81 HG2 PRO 11 HG2 PRO 11 7.137 -9.165 -0.776
82 HG3 PRO 11 HG1 PRO 11 6.809 -7.471 -1.192
83 HD2 PRO 11 HD2 PRO 11 5.612 -9.137 0.989
84 HD3 PRO 11 HD1 PRO 11 6.184 -7.456 1.037
85 H GLY 12 HN GLY 12 1.809 -8.241 -2.586
86 HA2 GLY 12 HA2 GLY 12 1.090 -10.995 -1.926
87 HA3 GLY 12 HA1 GLY 12 0.002 -9.734 -1.367
88 H PHE 13 HN PHE 13 -1.514 -8.980 -2.714
89 HA PHE 13 HA PHE 13 -1.269 -9.509 -5.591
90 HB2 PHE 13 HB2 PHE 13 -3.632 -10.249 -3.858
91 HB3 PHE 13 HB1 PHE 13 -3.707 -10.167 -5.614
92 HD1 PHE 13 HD1 PHE 13 -2.605 -11.827 -6.987
93 HD2 PHE 13 HD2 PHE 13 -2.428 -12.022 -2.739
94 HE1 PHE 13 HE1 PHE 13 -1.807 -14.150 -7.130
95 HE2 PHE 13 HE2 PHE 13 -1.628 -14.344 -2.874
96 HZ PHE 13 HZ PHE 13 -1.318 -15.412 -5.072
97 H SER 14 HN SER 14 -2.989 -7.779 -3.013
98 HA SER 14 HA SER 14 -3.317 -5.499 -4.820
99 HB2 SER 14 HB2 SER 14 -5.525 -6.621 -3.080
100 HB3 SER 14 HB1 SER 14 -5.617 -5.114 -3.992
101 HG SER 14 HG SER 14 -4.838 -7.208 -5.542
102 HA PRO 15 HA PRO 15 -1.647 -3.957 -0.804
103 HB2 PRO 15 HB2 PRO 15 -0.175 -1.906 -1.755
104 HB3 PRO 15 HB1 PRO 15 0.389 -3.585 -1.851
105 HG2 PRO 15 HG2 PRO 15 -0.820 -1.876 -3.967
106 HG3 PRO 15 HG1 PRO 15 0.540 -3.013 -4.071
107 HD2 PRO 15 HD2 PRO 15 -2.016 -3.627 -4.879
108 HD3 PRO 15 HD1 PRO 15 -0.829 -4.835 -4.351
109 H LEU 16 HN LEU 16 -1.540 -1.545 0.072
110 HA LEU 16 HA LEU 16 -4.084 -0.243 -0.661
111 HB2 LEU 16 HB2 LEU 16 -3.780 -1.354 1.662
112 HB3 LEU 16 HB1 LEU 16 -2.759 0.022 2.025
113 HG LEU 16 HG LEU 16 -4.880 1.394 1.241
114 HD11 LEU 16 HD11 LEU 16 -6.187 -0.541 0.546
115 HD12 LEU 16 HD12 LEU 16 -6.964 0.293 1.891
116 HD13 LEU 16 HD13 LEU 16 -6.085 -1.210 2.175
117 HD21 LEU 16 HD21 LEU 16 -5.619 1.463 3.579
118 HD22 LEU 16 HD22 LEU 16 -3.862 1.530 3.443
119 HD23 LEU 16 HD23 LEU 16 -4.653 0.027 3.920
Start of MODEL 8
1 H CYS 1 HN CYS 1 -4.134 3.027 1.649
2 HA CYS 1 HA CYS 1 -1.616 3.688 0.348
3 HB2 CYS 1 HB2 CYS 1 -3.069 1.752 -0.863
4 HB3 CYS 1 HB1 CYS 1 -3.803 3.182 -1.583
5 H PHE 2 HN PHE 2 -1.484 5.795 0.201
6 HA PHE 2 HA PHE 2 -3.933 7.361 -0.235
7 HB2 PHE 2 HB2 PHE 2 -1.781 7.760 1.805
8 HB3 PHE 2 HB1 PHE 2 -2.649 9.156 1.177
9 HD1 PHE 2 HD1 PHE 2 -2.917 6.088 3.163
10 HD2 PHE 2 HD2 PHE 2 -4.963 9.529 1.712
11 HE1 PHE 2 HE1 PHE 2 -4.744 5.673 4.760
12 HE2 PHE 2 HE2 PHE 2 -6.790 9.119 3.307
13 HZ PHE 2 HZ PHE 2 -6.682 7.190 4.834
14 HA PRO 3 HA PRO 3 -1.297 8.907 -3.597
15 HB2 PRO 3 HB2 PRO 3 -3.433 10.721 -4.374
16 HB3 PRO 3 HB1 PRO 3 -2.854 9.271 -5.213
17 HG2 PRO 3 HG2 PRO 3 -5.296 9.426 -4.072
18 HG3 PRO 3 HG1 PRO 3 -4.385 7.910 -4.222
19 HD2 PRO 3 HD2 PRO 3 -4.688 9.700 -1.840
20 HD3 PRO 3 HD1 PRO 3 -4.751 7.927 -1.941
21 H ASP 4 HN ASP 4 -2.663 10.789 -1.082
22 HA ASP 4 HA ASP 4 -1.296 13.240 -1.884
23 HB2 ASP 4 HB2 ASP 4 -3.227 12.626 0.348
24 HB3 ASP 4 HB1 ASP 4 -2.402 14.174 0.202
25 H GLY 5 HN GLY 5 -1.046 10.654 0.412
26 HA2 GLY 5 HA2 GLY 5 1.248 11.977 1.714
27 HA3 GLY 5 HA1 GLY 5 0.281 10.704 2.443
28 H ARG 6 HN ARG 6 1.224 8.797 2.518
29 HA ARG 6 HA ARG 6 3.028 7.989 0.338
30 HB2 ARG 6 HB2 ARG 6 3.532 7.798 3.305
31 HB3 ARG 6 HB1 ARG 6 4.398 6.806 2.142
32 HG2 ARG 6 HG2 ARG 6 5.268 8.816 1.065
33 HG3 ARG 6 HG1 ARG 6 4.389 9.818 2.220
34 HD2 ARG 6 HD2 ARG 6 5.669 8.818 4.053
35 HD3 ARG 6 HD1 ARG 6 6.552 7.825 2.893
36 HE ARG 6 HE ARG 6 6.842 10.494 2.132
37 HH11 ARG 6 HH11 ARG 6 7.830 8.429 4.797
38 HH12 ARG 6 HH12 ARG 6 9.259 9.348 5.130
39 HH21 ARG 6 HH21 ARG 6 8.719 11.681 2.586
40 HH22 ARG 6 HH22 ARG 6 9.761 11.188 3.878
41 H CYS 7 HN CYS 7 3.096 5.775 -0.118
42 HA CYS 7 HA CYS 7 1.260 4.024 1.309
43 HB2 CYS 7 HB2 CYS 7 -0.026 4.844 -0.580
44 HB3 CYS 7 HB1 CYS 7 1.300 4.504 -1.681
45 H LYS 8 HN LYS 8 1.681 1.840 1.160
46 HA LYS 8 HA LYS 8 4.106 0.946 -0.217
47 HB2 LYS 8 HB2 LYS 8 3.544 0.642 2.738
48 HB3 LYS 8 HB1 LYS 8 4.673 -0.400 1.882
49 HG2 LYS 8 HG2 LYS 8 6.014 1.554 1.275
50 HG3 LYS 8 HG1 LYS 8 4.884 2.594 2.145
51 HD2 LYS 8 HD2 LYS 8 5.401 1.412 4.225
52 HD3 LYS 8 HD1 LYS 8 6.527 0.369 3.355
53 HE2 LYS 8 HE2 LYS 8 7.876 2.325 2.765
54 HE3 LYS 8 HE1 LYS 8 6.750 3.365 3.637
55 HZ1 LYS 8 HZ1 LYS 8 7.307 2.190 5.676
56 HZ2 LYS 8 HZ2 LYS 8 8.695 2.854 4.972
57 HZ3 LYS 8 HZ3 LYS 8 8.388 1.196 4.837
58 H ARG 9 HN ARG 9 4.022 -1.194 -0.889
59 HA ARG 9 HA ARG 9 1.673 -2.776 -0.140
60 HB2 ARG 9 HB2 ARG 9 2.424 -2.003 -2.956
61 HB3 ARG 9 HB1 ARG 9 1.411 -3.395 -2.605
62 HG2 ARG 9 HG2 ARG 9 -0.224 -1.940 -1.521
63 HG3 ARG 9 HG1 ARG 9 0.797 -0.541 -1.861
64 HD2 ARG 9 HD2 ARG 9 0.578 -0.970 -4.261
65 HD3 ARG 9 HD1 ARG 9 -0.444 -2.365 -3.918
66 HE ARG 9 HE ARG 9 -1.576 -0.129 -2.680
67 HH11 ARG 9 HH11 ARG 9 -1.001 -1.298 -5.942
68 HH12 ARG 9 HH12 ARG 9 -2.360 -0.453 -6.607
69 HH21 ARG 9 HH21 ARG 9 -3.348 0.968 -3.572
70 HH22 ARG 9 HH22 ARG 9 -3.685 0.828 -5.266
71 HA PRO 10 HA PRO 10 5.314 -5.590 -0.124
72 HB2 PRO 10 HB2 PRO 10 3.774 -7.146 1.820
73 HB3 PRO 10 HB1 PRO 10 5.337 -6.339 2.036
74 HG2 PRO 10 HG2 PRO 10 3.099 -5.498 3.266
75 HG3 PRO 10 HG1 PRO 10 4.396 -4.394 2.765
76 HD2 PRO 10 HD2 PRO 10 1.776 -4.951 1.427
77 HD3 PRO 10 HD1 PRO 10 2.613 -3.403 1.681
78 HA PRO 11 HA PRO 11 3.597 -8.835 -2.686
79 HB2 PRO 11 HB2 PRO 11 5.296 -10.930 -1.537
80 HB3 PRO 11 HB1 PRO 11 5.374 -10.187 -3.145
81 HG2 PRO 11 HG2 PRO 11 7.266 -9.772 -1.289
82 HG3 PRO 11 HG1 PRO 11 6.799 -8.533 -2.472
83 HD2 PRO 11 HD2 PRO 11 5.993 -8.790 0.401
84 HD3 PRO 11 HD1 PRO 11 6.481 -7.345 -0.510
85 H GLY 12 HN GLY 12 1.572 -9.448 -2.270
86 HA2 GLY 12 HA2 GLY 12 0.133 -11.277 -1.681
87 HA3 GLY 12 HA1 GLY 12 1.145 -11.573 -0.278
88 H PHE 13 HN PHE 13 1.294 -9.041 0.839
89 HA PHE 13 HA PHE 13 -1.494 -8.646 1.693
90 HB2 PHE 13 HB2 PHE 13 1.119 -8.181 3.130
91 HB3 PHE 13 HB1 PHE 13 -0.425 -7.600 3.743
92 HD1 PHE 13 HD1 PHE 13 -2.076 -9.139 4.615
93 HD2 PHE 13 HD2 PHE 13 1.658 -10.537 3.127
94 HE1 PHE 13 HE1 PHE 13 -2.466 -11.316 5.693
95 HE2 PHE 13 HE2 PHE 13 1.274 -12.717 4.202
96 HZ PHE 13 HZ PHE 13 -0.790 -13.109 5.487
97 H SER 14 HN SER 14 -2.304 -6.571 2.087
98 HA SER 14 HA SER 14 -0.812 -4.274 1.075
99 HB2 SER 14 HB2 SER 14 -3.585 -5.022 0.107
100 HB3 SER 14 HB1 SER 14 -2.743 -3.521 -0.279
101 HG SER 14 HG SER 14 -1.331 -4.614 -1.521
102 HA PRO 15 HA PRO 15 -3.077 -3.017 4.827
103 HB2 PRO 15 HB2 PRO 15 -1.428 -1.097 5.735
104 HB3 PRO 15 HB1 PRO 15 -1.048 -2.821 5.886
105 HG2 PRO 15 HG2 PRO 15 0.080 -0.803 4.047
106 HG3 PRO 15 HG1 PRO 15 0.833 -2.245 4.751
107 HD2 PRO 15 HD2 PRO 15 -0.239 -2.015 2.139
108 HD3 PRO 15 HD1 PRO 15 0.278 -3.508 2.944
109 H LEU 16 HN LEU 16 -1.576 -0.040 3.652
110 HA LEU 16 HA LEU 16 -4.211 1.015 2.916
111 HB2 LEU 16 HB2 LEU 16 -3.918 3.055 4.155
112 HB3 LEU 16 HB1 LEU 16 -3.766 1.699 5.247
113 HG LEU 16 HG LEU 16 -1.328 3.084 4.134
114 HD11 LEU 16 HD11 LEU 16 -1.303 4.408 6.231
115 HD12 LEU 16 HD12 LEU 16 -2.946 3.854 6.555
116 HD13 LEU 16 HD13 LEU 16 -2.611 4.839 5.131
117 HD21 LEU 16 HD21 LEU 16 -1.874 1.355 6.543
118 HD22 LEU 16 HD22 LEU 16 -0.393 2.290 6.340
119 HD23 LEU 16 HD23 LEU 16 -0.799 1.022 5.185
Start of MODEL 9
1 H CYS 1 HN CYS 1 -3.994 1.983 -0.402
2 HA CYS 1 HA CYS 1 -1.590 3.530 -0.924
3 HB2 CYS 1 HB2 CYS 1 -2.949 2.373 -3.077
4 HB3 CYS 1 HB1 CYS 1 -3.476 4.052 -3.059
5 H PHE 2 HN PHE 2 -1.806 5.249 0.270
6 HA PHE 2 HA PHE 2 -4.475 6.404 0.678
7 HB2 PHE 2 HB2 PHE 2 -2.627 5.741 2.540
8 HB3 PHE 2 HB1 PHE 2 -2.194 7.424 2.261
9 HD1 PHE 2 HD1 PHE 2 -3.729 9.218 2.847
10 HD2 PHE 2 HD2 PHE 2 -4.725 5.142 3.560
11 HE1 PHE 2 HE1 PHE 2 -5.549 9.928 4.341
12 HE2 PHE 2 HE2 PHE 2 -6.547 5.845 5.054
13 HZ PHE 2 HZ PHE 2 -6.962 8.240 5.446
14 HA PRO 3 HA PRO 3 -3.118 9.793 -1.989
15 HB2 PRO 3 HB2 PRO 3 -5.419 11.362 -1.149
16 HB3 PRO 3 HB1 PRO 3 -5.117 10.592 -2.716
17 HG2 PRO 3 HG2 PRO 3 -7.056 9.764 -1.035
18 HG3 PRO 3 HG1 PRO 3 -6.205 8.674 -2.147
19 HD2 PRO 3 HD2 PRO 3 -5.769 9.091 0.786
20 HD3 PRO 3 HD1 PRO 3 -5.812 7.581 -0.150
21 H ASP 4 HN ASP 4 -3.858 10.221 1.368
22 HA ASP 4 HA ASP 4 -2.419 12.789 1.424
23 HB2 ASP 4 HB2 ASP 4 -4.850 12.469 2.357
24 HB3 ASP 4 HB1 ASP 4 -4.024 11.764 3.741
25 H GLY 5 HN GLY 5 -2.126 9.499 2.221
26 HA2 GLY 5 HA2 GLY 5 0.010 10.064 4.182
27 HA3 GLY 5 HA1 GLY 5 -0.918 8.573 4.131
28 H ARG 6 HN ARG 6 0.746 7.166 3.878
29 HA ARG 6 HA ARG 6 2.472 7.489 1.515
30 HB2 ARG 6 HB2 ARG 6 2.867 5.990 4.103
31 HB3 ARG 6 HB1 ARG 6 3.880 5.707 2.695
32 HG2 ARG 6 HG2 ARG 6 4.588 8.041 2.721
33 HG3 ARG 6 HG1 ARG 6 3.552 8.345 4.116
34 HD2 ARG 6 HD2 ARG 6 5.719 8.044 4.991
35 HD3 ARG 6 HD1 ARG 6 4.868 6.533 5.307
36 HE ARG 6 HE ARG 6 6.215 6.294 2.863
37 HH11 ARG 6 HH11 ARG 6 6.999 6.562 6.276
38 HH12 ARG 6 HH12 ARG 6 8.488 5.691 6.119
39 HH21 ARG 6 HH21 ARG 6 8.167 5.157 2.682
40 HH22 ARG 6 HH22 ARG 6 9.148 4.897 4.086
41 H CYS 7 HN CYS 7 2.951 5.614 0.232
42 HA CYS 7 HA CYS 7 1.111 3.366 0.459
43 HB2 CYS 7 HB2 CYS 7 0.084 4.959 -1.117
44 HB3 CYS 7 HB1 CYS 7 1.564 4.993 -2.062
45 H LYS 8 HN LYS 8 2.560 1.816 0.890
46 HA LYS 8 HA LYS 8 4.449 1.042 -1.172
47 HB2 LYS 8 HB2 LYS 8 5.330 1.877 1.589
48 HB3 LYS 8 HB1 LYS 8 6.259 0.717 0.652
49 HG2 LYS 8 HG2 LYS 8 6.546 2.371 -1.121
50 HG3 LYS 8 HG1 LYS 8 5.603 3.534 -0.187
51 HD2 LYS 8 HD2 LYS 8 7.268 3.440 1.606
52 HD3 LYS 8 HD1 LYS 8 8.209 2.277 0.670
53 HE2 LYS 8 HE2 LYS 8 8.500 3.943 -1.099
54 HE3 LYS 8 HE1 LYS 8 7.560 5.104 -0.160
55 HZ1 LYS 8 HZ1 LYS 8 10.139 3.890 0.678
56 HZ2 LYS 8 HZ2 LYS 8 9.241 5.011 1.570
57 HZ3 LYS 8 HZ3 LYS 8 9.934 5.466 0.097
58 H ARG 9 HN ARG 9 4.006 -1.027 -1.499
59 HA ARG 9 HA ARG 9 3.813 -2.853 0.771
60 HB2 ARG 9 HB2 ARG 9 1.652 -2.484 -1.299
61 HB3 ARG 9 HB1 ARG 9 1.828 -3.990 -0.410
62 HG2 ARG 9 HG2 ARG 9 1.615 -1.405 1.076
63 HG3 ARG 9 HG1 ARG 9 0.167 -2.166 0.422
64 HD2 ARG 9 HD2 ARG 9 0.366 -2.905 2.665
65 HD3 ARG 9 HD1 ARG 9 0.847 -4.261 1.649
66 HE ARG 9 HE ARG 9 3.099 -2.708 2.419
67 HH11 ARG 9 HH11 ARG 9 0.881 -5.127 3.668
68 HH12 ARG 9 HH12 ARG 9 2.017 -5.738 4.825
69 HH21 ARG 9 HH21 ARG 9 4.570 -3.523 3.940
70 HH22 ARG 9 HH22 ARG 9 4.103 -4.829 4.977
71 HA PRO 10 HA PRO 10 6.744 -4.817 -2.131
72 HB2 PRO 10 HB2 PRO 10 6.591 -6.940 -0.047
73 HB3 PRO 10 HB1 PRO 10 8.008 -6.184 -0.793
74 HG2 PRO 10 HG2 PRO 10 7.271 -5.566 1.681
75 HG3 PRO 10 HG1 PRO 10 7.944 -4.353 0.576
76 HD2 PRO 10 HD2 PRO 10 5.132 -4.732 1.464
77 HD3 PRO 10 HD1 PRO 10 6.001 -3.245 1.047
78 HA PRO 11 HA PRO 11 4.046 -8.782 -2.784
79 HB2 PRO 11 HB2 PRO 11 1.573 -8.532 -1.261
80 HB3 PRO 11 HB1 PRO 11 2.783 -9.826 -1.203
81 HG2 PRO 11 HG2 PRO 11 2.369 -8.137 0.854
82 HG3 PRO 11 HG1 PRO 11 3.953 -8.854 0.495
83 HD2 PRO 11 HD2 PRO 11 2.932 -6.116 -0.169
84 HD3 PRO 11 HD1 PRO 11 4.510 -6.604 0.477
85 H GLY 12 HN GLY 12 2.316 -9.202 -4.263
86 HA2 GLY 12 HA2 GLY 12 0.866 -6.769 -5.116
87 HA3 GLY 12 HA1 GLY 12 1.557 -7.920 -6.249
88 H PHE 13 HN PHE 13 -0.493 -8.197 -3.343
89 HA PHE 13 HA PHE 13 -2.485 -9.627 -4.970
90 HB2 PHE 13 HB2 PHE 13 -1.446 -10.400 -2.239
91 HB3 PHE 13 HB1 PHE 13 -2.928 -11.057 -2.924
92 HD1 PHE 13 HD1 PHE 13 -2.861 -12.623 -4.764
93 HD2 PHE 13 HD2 PHE 13 0.721 -11.020 -3.119
94 HE1 PHE 13 HE1 PHE 13 -1.559 -14.362 -5.917
95 HE2 PHE 13 HE2 PHE 13 2.031 -12.755 -4.270
96 HZ PHE 13 HZ PHE 13 0.891 -14.430 -5.671
97 H SER 14 HN SER 14 -1.967 -8.039 -1.809
98 HA SER 14 HA SER 14 -4.502 -6.619 -2.154
99 HB2 SER 14 HB2 SER 14 -3.752 -8.138 0.363
100 HB3 SER 14 HB1 SER 14 -5.143 -7.067 0.202
101 HG SER 14 HG SER 14 -5.264 -9.535 -0.209
102 HA PRO 15 HA PRO 15 -1.088 -3.867 -0.565
103 HB2 PRO 15 HB2 PRO 15 -0.908 -2.139 -2.622
104 HB3 PRO 15 HB1 PRO 15 -0.107 -3.721 -2.664
105 HG2 PRO 15 HG2 PRO 15 -2.604 -2.832 -4.003
106 HG3 PRO 15 HG1 PRO 15 -1.323 -3.910 -4.593
107 HD2 PRO 15 HD2 PRO 15 -3.753 -4.769 -3.521
108 HD3 PRO 15 HD1 PRO 15 -2.291 -5.764 -3.656
109 H LEU 16 HN LEU 16 -1.110 -1.353 -0.439
110 HA LEU 16 HA LEU 16 -3.839 -0.290 -0.217
111 HB2 LEU 16 HB2 LEU 16 -1.723 -0.203 1.939
112 HB3 LEU 16 HB1 LEU 16 -3.168 0.787 1.955
113 HG LEU 16 HG LEU 16 -3.475 -2.180 1.769
114 HD11 LEU 16 HD11 LEU 16 -3.427 -2.345 4.214
115 HD12 LEU 16 HD12 LEU 16 -2.875 -0.673 4.310
116 HD13 LEU 16 HD13 LEU 16 -1.853 -1.896 3.555
117 HD21 LEU 16 HD21 LEU 16 -5.442 -0.742 1.589
118 HD22 LEU 16 HD22 LEU 16 -5.050 0.001 3.139
119 HD23 LEU 16 HD23 LEU 16 -5.496 -1.704 3.065
Start of MODEL 10
1 H CYS 1 HN CYS 1 -3.877 2.396 -1.313
2 HA CYS 1 HA CYS 1 -1.371 3.653 -0.550
3 HB2 CYS 1 HB2 CYS 1 -1.174 3.265 -3.012
4 HB3 CYS 1 HB1 CYS 1 -2.603 4.266 -3.240
5 H PHE 2 HN PHE 2 -1.697 5.420 0.591
6 HA PHE 2 HA PHE 2 -4.406 6.406 0.919
7 HB2 PHE 2 HB2 PHE 2 -1.817 7.032 2.337
8 HB3 PHE 2 HB1 PHE 2 -3.327 7.859 2.699
9 HD1 PHE 2 HD1 PHE 2 -5.119 6.728 3.856
10 HD2 PHE 2 HD2 PHE 2 -1.487 4.708 2.940
11 HE1 PHE 2 HE1 PHE 2 -5.727 4.932 5.423
12 HE2 PHE 2 HE2 PHE 2 -2.090 2.908 4.505
13 HZ PHE 2 HZ PHE 2 -4.212 3.018 5.749
14 HA PRO 3 HA PRO 3 -3.813 9.989 -1.699
15 HB2 PRO 3 HB2 PRO 3 -5.825 11.529 -0.303
16 HB3 PRO 3 HB1 PRO 3 -5.964 10.701 -1.861
17 HG2 PRO 3 HG2 PRO 3 -7.320 9.939 0.365
18 HG3 PRO 3 HG1 PRO 3 -6.872 8.833 -0.948
19 HD2 PRO 3 HD2 PRO 3 -5.552 9.241 1.707
20 HD3 PRO 3 HD1 PRO 3 -5.875 7.737 0.822
21 H ASP 4 HN ASP 4 -3.904 10.520 1.754
22 HA ASP 4 HA ASP 4 -2.215 12.913 1.434
23 HB2 ASP 4 HB2 ASP 4 -4.236 12.243 3.572
24 HB3 ASP 4 HB1 ASP 4 -3.054 13.537 3.747
25 H GLY 5 HN GLY 5 -2.415 9.750 2.719
26 HA2 GLY 5 HA2 GLY 5 -0.187 10.167 4.578
27 HA3 GLY 5 HA1 GLY 5 -1.171 8.718 4.454
28 H ARG 6 HN ARG 6 0.732 7.459 4.420
29 HA ARG 6 HA ARG 6 2.407 7.680 2.020
30 HB2 ARG 6 HB2 ARG 6 2.801 6.291 4.668
31 HB3 ARG 6 HB1 ARG 6 3.835 5.965 3.284
32 HG2 ARG 6 HG2 ARG 6 4.459 8.343 3.215
33 HG3 ARG 6 HG1 ARG 6 3.457 8.632 4.637
34 HD2 ARG 6 HD2 ARG 6 5.655 8.410 5.450
35 HD3 ARG 6 HD1 ARG 6 4.862 6.878 5.810
36 HE ARG 6 HE ARG 6 6.109 6.583 3.348
37 HH11 ARG 6 HH11 ARG 6 7.111 7.168 6.663
38 HH12 ARG 6 HH12 ARG 6 8.647 6.393 6.456
39 HH21 ARG 6 HH21 ARG 6 8.123 5.575 3.100
40 HH22 ARG 6 HH22 ARG 6 9.219 5.494 4.439
41 H CYS 7 HN CYS 7 3.121 5.561 1.048
42 HA CYS 7 HA CYS 7 1.113 3.453 1.183
43 HB2 CYS 7 HB2 CYS 7 2.143 4.486 -1.468
44 HB3 CYS 7 HB1 CYS 7 0.787 3.403 -1.189
45 H LYS 8 HN LYS 8 2.302 2.097 -1.156
46 HA LYS 8 HA LYS 8 5.016 1.467 -0.243
47 HB2 LYS 8 HB2 LYS 8 2.735 -0.497 -0.504
48 HB3 LYS 8 HB1 LYS 8 4.415 -1.008 -0.544
49 HG2 LYS 8 HG2 LYS 8 4.757 -0.100 1.694
50 HG3 LYS 8 HG1 LYS 8 3.076 0.437 1.735
51 HD2 LYS 8 HD2 LYS 8 2.332 -1.887 1.519
52 HD3 LYS 8 HD1 LYS 8 4.013 -2.421 1.482
53 HE2 LYS 8 HE2 LYS 8 4.349 -1.514 3.730
54 HE3 LYS 8 HE1 LYS 8 2.670 -0.976 3.765
55 HZ1 LYS 8 HZ1 LYS 8 3.578 -3.797 3.550
56 HZ2 LYS 8 HZ2 LYS 8 1.967 -3.282 3.582
57 HZ3 LYS 8 HZ3 LYS 8 2.952 -3.064 4.940
58 H ARG 9 HN ARG 9 5.726 -0.532 -1.905
59 HA ARG 9 HA ARG 9 4.978 0.243 -4.625
60 HB2 ARG 9 HB2 ARG 9 7.766 0.332 -3.498
61 HB3 ARG 9 HB1 ARG 9 7.480 0.124 -5.218
62 HG2 ARG 9 HG2 ARG 9 6.261 2.239 -5.273
63 HG3 ARG 9 HG1 ARG 9 6.541 2.444 -3.542
64 HD2 ARG 9 HD2 ARG 9 8.956 2.469 -3.938
65 HD3 ARG 9 HD1 ARG 9 8.675 2.263 -5.667
66 HE ARG 9 HE ARG 9 7.260 4.516 -4.881
67 HH11 ARG 9 HH11 ARG 9 10.631 3.540 -5.029
68 HH12 ARG 9 HH12 ARG 9 11.208 5.158 -5.255
69 HH21 ARG 9 HH21 ARG 9 8.038 6.625 -5.178
70 HH22 ARG 9 HH22 ARG 9 9.740 6.901 -5.338
71 HA PRO 10 HA PRO 10 7.137 -4.188 -4.639
72 HB2 PRO 10 HB2 PRO 10 6.602 -5.080 -1.865
73 HB3 PRO 10 HB1 PRO 10 8.059 -5.290 -2.853
74 HG2 PRO 10 HG2 PRO 10 8.047 -3.605 -0.814
75 HG3 PRO 10 HG1 PRO 10 8.893 -3.211 -2.325
76 HD2 PRO 10 HD2 PRO 10 6.226 -2.253 -1.357
77 HD3 PRO 10 HD1 PRO 10 7.539 -1.339 -2.125
78 HA PRO 11 HA PRO 11 2.670 -5.209 -5.064
79 HB2 PRO 11 HB2 PRO 11 3.619 -6.949 -7.245
80 HB3 PRO 11 HB1 PRO 11 2.461 -5.608 -7.302
81 HG2 PRO 11 HG2 PRO 11 4.882 -5.408 -8.401
82 HG3 PRO 11 HG1 PRO 11 4.085 -4.026 -7.620
83 HD2 PRO 11 HD2 PRO 11 6.254 -5.796 -6.558
84 HD3 PRO 11 HD1 PRO 11 6.072 -4.031 -6.446
85 H GLY 12 HN GLY 12 1.407 -7.071 -4.775
86 HA2 GLY 12 HA2 GLY 12 2.750 -9.607 -4.206
87 HA3 GLY 12 HA1 GLY 12 1.873 -8.849 -2.885
88 H PHE 13 HN PHE 13 -0.412 -8.548 -3.094
89 HA PHE 13 HA PHE 13 -1.710 -10.164 -5.175
90 HB2 PHE 13 HB2 PHE 13 -2.207 -10.349 -2.197
91 HB3 PHE 13 HB1 PHE 13 -3.321 -10.988 -3.400
92 HD1 PHE 13 HD1 PHE 13 -0.074 -11.406 -1.782
93 HD2 PHE 13 HD2 PHE 13 -2.763 -12.956 -4.694
94 HE1 PHE 13 HE1 PHE 13 1.208 -13.505 -1.841
95 HE2 PHE 13 HE2 PHE 13 -1.486 -15.058 -4.759
96 HZ PHE 13 HZ PHE 13 0.502 -15.335 -3.331
97 H SER 14 HN SER 14 -2.324 -7.914 -2.469
98 HA SER 14 HA SER 14 -4.016 -6.292 -4.208
99 HB2 SER 14 HB2 SER 14 -5.532 -7.892 -3.022
100 HB3 SER 14 HB1 SER 14 -4.979 -7.220 -1.489
101 HG SER 14 HG SER 14 -6.717 -6.172 -3.363
102 HA PRO 15 HA PRO 15 -1.313 -3.639 -1.547
103 HB2 PRO 15 HB2 PRO 15 -0.608 -1.805 -3.388
104 HB3 PRO 15 HB1 PRO 15 0.159 -3.405 -3.328
105 HG2 PRO 15 HG2 PRO 15 -1.975 -2.401 -5.143
106 HG3 PRO 15 HG1 PRO 15 -0.554 -3.400 -5.512
107 HD2 PRO 15 HD2 PRO 15 -3.083 -4.430 -5.161
108 HD3 PRO 15 HD1 PRO 15 -1.595 -5.352 -4.873
109 H LEU 16 HN LEU 16 -1.340 -1.184 -1.204
110 HA LEU 16 HA LEU 16 -3.891 0.114 -1.750
111 HB2 LEU 16 HB2 LEU 16 -2.911 -0.469 1.051
112 HB3 LEU 16 HB1 LEU 16 -4.156 0.707 0.686
113 HG LEU 16 HG LEU 16 -4.541 -2.105 -0.247
114 HD11 LEU 16 HD11 LEU 16 -3.823 -2.377 2.059
115 HD12 LEU 16 HD12 LEU 16 -5.551 -2.696 1.905
116 HD13 LEU 16 HD13 LEU 16 -4.993 -1.166 2.582
117 HD21 LEU 16 HD21 LEU 16 -6.412 0.015 0.814
118 HD22 LEU 16 HD22 LEU 16 -6.886 -1.562 0.181
119 HD23 LEU 16 HD23 LEU 16 -6.143 -0.371 -0.886
Start of MODEL 11
1 H CYS 1 HN CYS 1 -3.920 2.104 -0.803
2 HA CYS 1 HA CYS 1 -1.393 3.487 -0.380
3 HB2 CYS 1 HB2 CYS 1 -1.367 2.891 -2.794
4 HB3 CYS 1 HB1 CYS 1 -2.881 3.763 -3.001
5 H PHE 2 HN PHE 2 -1.709 5.306 0.672
6 HA PHE 2 HA PHE 2 -4.431 6.344 0.917
7 HB2 PHE 2 HB2 PHE 2 -1.937 6.789 2.554
8 HB3 PHE 2 HB1 PHE 2 -3.422 7.695 2.813
9 HD1 PHE 2 HD1 PHE 2 -1.767 4.464 3.168
10 HD2 PHE 2 HD2 PHE 2 -5.387 6.624 3.752
11 HE1 PHE 2 HE1 PHE 2 -2.595 2.672 4.637
12 HE2 PHE 2 HE2 PHE 2 -6.221 4.836 5.222
13 HZ PHE 2 HZ PHE 2 -4.824 2.857 5.666
14 HA PRO 3 HA PRO 3 -3.199 9.769 -1.779
15 HB2 PRO 3 HB2 PRO 3 -5.671 11.152 -1.101
16 HB3 PRO 3 HB1 PRO 3 -5.212 10.389 -2.633
17 HG2 PRO 3 HG2 PRO 3 -7.173 9.423 -1.055
18 HG3 PRO 3 HG1 PRO 3 -6.165 8.393 -2.090
19 HD2 PRO 3 HD2 PRO 3 -5.945 8.893 0.853
20 HD3 PRO 3 HD1 PRO 3 -5.806 7.370 -0.051
21 H ASP 4 HN ASP 4 -4.016 10.104 1.548
22 HA ASP 4 HA ASP 4 -3.088 12.881 1.650
23 HB2 ASP 4 HB2 ASP 4 -4.523 11.153 3.663
24 HB3 ASP 4 HB1 ASP 4 -3.863 12.735 4.065
25 H GLY 5 HN GLY 5 -2.089 9.676 2.397
26 HA2 GLY 5 HA2 GLY 5 0.295 10.737 3.787
27 HA3 GLY 5 HA1 GLY 5 -0.457 9.212 4.226
28 H ARG 6 HN ARG 6 1.421 8.042 3.884
29 HA ARG 6 HA ARG 6 2.539 7.979 1.177
30 HB2 ARG 6 HB2 ARG 6 3.510 6.936 3.835
31 HB3 ARG 6 HB1 ARG 6 4.265 6.459 2.320
32 HG2 ARG 6 HG2 ARG 6 4.774 8.807 1.841
33 HG3 ARG 6 HG1 ARG 6 4.033 9.272 3.373
34 HD2 ARG 6 HD2 ARG 6 5.683 7.930 4.579
35 HD3 ARG 6 HD1 ARG 6 6.418 7.453 3.049
36 HE ARG 6 HE ARG 6 6.352 10.265 3.234
37 HH11 ARG 6 HH11 ARG 6 8.064 7.529 4.620
38 HH12 ARG 6 HH12 ARG 6 9.493 8.448 4.958
39 HH21 ARG 6 HH21 ARG 6 8.233 11.447 3.686
40 HH22 ARG 6 HH22 ARG 6 9.586 10.663 4.429
41 H CYS 7 HN CYS 7 3.193 5.734 0.380
42 HA CYS 7 HA CYS 7 1.286 3.649 1.108
43 HB2 CYS 7 HB2 CYS 7 1.905 4.316 -1.773
44 HB3 CYS 7 HB1 CYS 7 0.634 3.269 -1.159
45 H LYS 8 HN LYS 8 1.869 1.523 0.303
46 HA LYS 8 HA LYS 8 4.672 1.146 -0.468
47 HB2 LYS 8 HB2 LYS 8 3.326 -0.061 1.956
48 HB3 LYS 8 HB1 LYS 8 4.759 -0.774 1.229
49 HG2 LYS 8 HG2 LYS 8 6.002 1.285 1.646
50 HG3 LYS 8 HG1 LYS 8 4.562 2.009 2.365
51 HD2 LYS 8 HD2 LYS 8 4.558 0.269 4.092
52 HD3 LYS 8 HD1 LYS 8 6.004 -0.443 3.374
53 HE2 LYS 8 HE2 LYS 8 7.237 1.623 3.809
54 HE3 LYS 8 HE1 LYS 8 5.791 2.340 4.519
55 HZ1 LYS 8 HZ1 LYS 8 7.222 -0.052 5.549
56 HZ2 LYS 8 HZ2 LYS 8 5.832 0.631 6.230
57 HZ3 LYS 8 HZ3 LYS 8 7.283 1.501 6.219
58 H ARG 9 HN ARG 9 5.012 -1.359 -0.878
59 HA ARG 9 HA ARG 9 2.602 -2.570 -2.015
60 HB2 ARG 9 HB2 ARG 9 5.125 -1.948 -3.550
61 HB3 ARG 9 HB1 ARG 9 3.994 -3.184 -4.078
62 HG2 ARG 9 HG2 ARG 9 2.224 -1.507 -4.232
63 HG3 ARG 9 HG1 ARG 9 3.357 -0.264 -3.694
64 HD2 ARG 9 HD2 ARG 9 4.747 -0.682 -5.664
65 HD3 ARG 9 HD1 ARG 9 3.619 -1.929 -6.197
66 HE ARG 9 HE ARG 9 2.223 0.484 -5.830
67 HH11 ARG 9 HH11 ARG 9 4.572 -0.920 -8.032
68 HH12 ARG 9 HH12 ARG 9 4.072 0.059 -9.371
69 HH21 ARG 9 HH21 ARG 9 1.586 1.754 -7.596
70 HH22 ARG 9 HH22 ARG 9 2.383 1.571 -9.123
71 HA PRO 10 HA PRO 10 5.281 -5.716 0.149
72 HB2 PRO 10 HB2 PRO 10 3.044 -6.322 1.883
73 HB3 PRO 10 HB1 PRO 10 4.604 -5.610 2.325
74 HG2 PRO 10 HG2 PRO 10 2.241 -4.267 2.471
75 HG3 PRO 10 HG1 PRO 10 3.816 -3.483 2.240
76 HD2 PRO 10 HD2 PRO 10 1.723 -4.139 0.203
77 HD3 PRO 10 HD1 PRO 10 2.714 -2.673 0.371
78 HA PRO 11 HA PRO 11 3.433 -9.243 -1.913
79 HB2 PRO 11 HB2 PRO 11 3.959 -11.064 0.344
80 HB3 PRO 11 HB1 PRO 11 4.664 -11.064 -1.283
81 HG2 PRO 11 HG2 PRO 11 6.101 -10.386 0.859
82 HG3 PRO 11 HG1 PRO 11 6.335 -9.602 -0.717
83 HD2 PRO 11 HD2 PRO 11 4.852 -8.598 1.682
84 HD3 PRO 11 HD1 PRO 11 5.962 -7.734 0.598
85 H GLY 12 HN GLY 12 1.295 -9.237 -2.155
86 HA2 GLY 12 HA2 GLY 12 -0.419 -10.727 -0.466
87 HA3 GLY 12 HA1 GLY 12 -0.642 -9.015 -0.158
88 H PHE 13 HN PHE 13 0.276 -9.475 -3.352
89 HA PHE 13 HA PHE 13 -0.721 -9.469 -5.381
90 HB2 PHE 13 HB2 PHE 13 -3.084 -10.649 -3.914
91 HB3 PHE 13 HB1 PHE 13 -3.034 -10.414 -5.657
92 HD1 PHE 13 HD1 PHE 13 -1.755 -12.358 -2.843
93 HD2 PHE 13 HD2 PHE 13 -1.617 -11.790 -7.059
94 HE1 PHE 13 HE1 PHE 13 -0.651 -14.542 -3.097
95 HE2 PHE 13 HE2 PHE 13 -0.512 -13.972 -7.321
96 HZ PHE 13 HZ PHE 13 -0.028 -15.352 -5.339
97 H SER 14 HN SER 14 -2.773 -8.107 -2.825
98 HA SER 14 HA SER 14 -3.404 -5.885 -4.648
99 HB2 SER 14 HB2 SER 14 -5.648 -5.728 -3.498
100 HB3 SER 14 HB1 SER 14 -5.433 -7.198 -4.448
101 HG SER 14 HG SER 14 -6.075 -8.063 -2.621
102 HA PRO 15 HA PRO 15 -1.540 -4.025 -0.850
103 HB2 PRO 15 HB2 PRO 15 -0.100 -2.076 -2.030
104 HB3 PRO 15 HB1 PRO 15 0.459 -3.760 -2.000
105 HG2 PRO 15 HG2 PRO 15 -0.813 -2.232 -4.213
106 HG3 PRO 15 HG1 PRO 15 0.531 -3.392 -4.264
107 HD2 PRO 15 HD2 PRO 15 -2.078 -4.028 -4.913
108 HD3 PRO 15 HD1 PRO 15 -0.870 -5.207 -4.369
109 H LEU 16 HN LEU 16 -1.421 -1.575 -0.188
110 HA LEU 16 HA LEU 16 -3.883 -0.218 -1.077
111 HB2 LEU 16 HB2 LEU 16 -2.795 -0.522 1.719
112 HB3 LEU 16 HB1 LEU 16 -4.032 0.645 1.300
113 HG LEU 16 HG LEU 16 -5.259 -1.516 0.365
114 HD11 LEU 16 HD11 LEU 16 -3.427 -3.049 0.846
115 HD12 LEU 16 HD12 LEU 16 -4.855 -3.452 1.800
116 HD13 LEU 16 HD13 LEU 16 -3.499 -2.614 2.553
117 HD21 LEU 16 HD21 LEU 16 -6.404 -1.693 2.530
118 HD22 LEU 16 HD22 LEU 16 -6.153 -0.016 2.048
119 HD23 LEU 16 HD23 LEU 16 -5.119 -0.745 3.277
Start of MODEL 12
1 H CYS 1 HN CYS 1 -3.987 2.231 -0.561
2 HA CYS 1 HA CYS 1 -1.409 3.519 -0.229
3 HB2 CYS 1 HB2 CYS 1 -2.975 3.627 -2.773
4 HB3 CYS 1 HB1 CYS 1 -2.054 5.040 -2.264
5 H PHE 2 HN PHE 2 -1.517 5.363 0.857
6 HA PHE 2 HA PHE 2 -3.975 6.162 2.044
7 HB2 PHE 2 HB2 PHE 2 -1.199 7.325 2.074
8 HB3 PHE 2 HB1 PHE 2 -2.537 8.110 2.905
9 HD1 PHE 2 HD1 PHE 2 -0.291 5.229 2.869
10 HD2 PHE 2 HD2 PHE 2 -3.527 7.126 4.880
11 HE1 PHE 2 HE1 PHE 2 0.074 3.776 4.820
12 HE2 PHE 2 HE2 PHE 2 -3.167 5.677 6.835
13 HZ PHE 2 HZ PHE 2 -1.364 3.998 6.806
14 HA PRO 3 HA PRO 3 -5.490 9.263 -0.795
15 HB2 PRO 3 HB2 PRO 3 -6.288 11.054 1.384
16 HB3 PRO 3 HB1 PRO 3 -7.307 10.125 0.271
17 HG2 PRO 3 HG2 PRO 3 -7.136 9.519 2.872
18 HG3 PRO 3 HG1 PRO 3 -7.349 8.279 1.620
19 HD2 PRO 3 HD2 PRO 3 -4.850 9.090 3.058
20 HD3 PRO 3 HD1 PRO 3 -5.454 7.466 2.672
21 H ASP 4 HN ASP 4 -3.017 10.068 1.406
22 HA ASP 4 HA ASP 4 -2.647 12.782 0.402
23 HB2 ASP 4 HB2 ASP 4 -1.230 11.172 2.527
24 HB3 ASP 4 HB1 ASP 4 -0.683 12.765 2.014
25 H GLY 5 HN GLY 5 -1.649 9.648 -0.395
26 HA2 GLY 5 HA2 GLY 5 -0.437 9.197 -2.397
27 HA3 GLY 5 HA1 GLY 5 0.416 10.720 -2.190
28 H ARG 6 HN ARG 6 -0.114 8.075 0.119
29 HA ARG 6 HA ARG 6 2.776 7.537 0.133
30 HB2 ARG 6 HB2 ARG 6 1.014 8.092 2.516
31 HB3 ARG 6 HB1 ARG 6 2.538 7.230 2.663
32 HG2 ARG 6 HG2 ARG 6 3.718 9.169 1.744
33 HG3 ARG 6 HG1 ARG 6 2.185 10.034 1.620
34 HD2 ARG 6 HD2 ARG 6 1.895 9.864 4.043
35 HD3 ARG 6 HD1 ARG 6 3.423 8.994 4.166
36 HE ARG 6 HE ARG 6 3.844 11.463 2.877
37 HH11 ARG 6 HH11 ARG 6 3.140 10.200 6.077
38 HH12 ARG 6 HH12 ARG 6 3.890 11.532 6.893
39 HH21 ARG 6 HH21 ARG 6 4.821 13.195 3.965
40 HH22 ARG 6 HH22 ARG 6 4.840 13.225 5.697
41 H CYS 7 HN CYS 7 3.273 5.463 0.023
42 HA CYS 7 HA CYS 7 1.403 3.426 0.957
43 HB2 CYS 7 HB2 CYS 7 2.779 2.996 -1.682
44 HB3 CYS 7 HB1 CYS 7 1.306 2.253 -1.070
45 H LYS 8 HN LYS 8 2.694 1.121 0.472
46 HA LYS 8 HA LYS 8 5.491 1.471 1.261
47 HB2 LYS 8 HB2 LYS 8 3.427 -0.053 2.829
48 HB3 LYS 8 HB1 LYS 8 5.147 -0.375 2.992
49 HG2 LYS 8 HG2 LYS 8 5.514 1.942 3.690
50 HG3 LYS 8 HG1 LYS 8 3.784 2.256 3.535
51 HD2 LYS 8 HD2 LYS 8 3.325 0.573 5.251
52 HD3 LYS 8 HD1 LYS 8 5.054 0.249 5.398
53 HE2 LYS 8 HE2 LYS 8 5.422 2.562 6.112
54 HE3 LYS 8 HE1 LYS 8 3.694 2.881 5.968
55 HZ1 LYS 8 HZ1 LYS 8 4.943 0.926 7.822
56 HZ2 LYS 8 HZ2 LYS 8 3.285 1.229 7.684
57 HZ3 LYS 8 HZ3 LYS 8 4.320 2.438 8.254
58 H ARG 9 HN ARG 9 2.986 -0.683 0.088
59 HA ARG 9 HA ARG 9 5.036 -2.217 -1.333
60 HB2 ARG 9 HB2 ARG 9 2.932 -3.415 0.474
61 HB3 ARG 9 HB1 ARG 9 3.741 -4.349 -0.774
62 HG2 ARG 9 HG2 ARG 9 5.389 -2.870 1.225
63 HG3 ARG 9 HG1 ARG 9 4.606 -4.380 1.695
64 HD2 ARG 9 HD2 ARG 9 5.700 -5.519 -0.184
65 HD3 ARG 9 HD1 ARG 9 6.494 -4.010 -0.631
66 HE ARG 9 HE ARG 9 7.152 -4.489 2.013
67 HH11 ARG 9 HH11 ARG 9 7.676 -6.112 -1.057
68 HH12 ARG 9 HH12 ARG 9 9.165 -6.839 -0.549
69 HH21 ARG 9 HH21 ARG 9 9.101 -5.451 2.656
70 HH22 ARG 9 HH22 ARG 9 9.969 -6.465 1.551
71 HA PRO 10 HA PRO 10 1.391 -0.892 -4.038
72 HB2 PRO 10 HB2 PRO 10 3.621 -0.500 -5.959
73 HB3 PRO 10 HB1 PRO 10 2.247 0.551 -5.587
74 HG2 PRO 10 HG2 PRO 10 4.702 1.136 -4.741
75 HG3 PRO 10 HG1 PRO 10 3.261 1.499 -3.772
76 HD2 PRO 10 HD2 PRO 10 5.276 -0.665 -3.410
77 HD3 PRO 10 HD1 PRO 10 4.372 0.255 -2.197
78 HA PRO 11 HA PRO 11 2.516 -4.406 -7.055
79 HB2 PRO 11 HB2 PRO 11 5.098 -5.562 -6.741
80 HB3 PRO 11 HB1 PRO 11 4.560 -4.482 -8.038
81 HG2 PRO 11 HG2 PRO 11 6.481 -3.868 -6.144
82 HG3 PRO 11 HG1 PRO 11 5.599 -2.697 -7.141
83 HD2 PRO 11 HD2 PRO 11 5.112 -3.509 -4.309
84 HD3 PRO 11 HD1 PRO 11 4.966 -1.916 -5.075
85 H GLY 12 HN GLY 12 1.541 -6.295 -6.694
86 HA2 GLY 12 HA2 GLY 12 2.523 -8.462 -5.267
87 HA3 GLY 12 HA1 GLY 12 1.512 -7.548 -4.156
88 H PHE 13 HN PHE 13 -0.656 -7.602 -4.347
89 HA PHE 13 HA PHE 13 -1.950 -8.857 -6.630
90 HB2 PHE 13 HB2 PHE 13 -2.105 -10.022 -3.838
91 HB3 PHE 13 HB1 PHE 13 -3.275 -10.392 -5.099
92 HD1 PHE 13 HD1 PHE 13 -2.591 -11.679 -7.082
93 HD2 PHE 13 HD2 PHE 13 0.070 -10.990 -3.832
94 HE1 PHE 13 HE1 PHE 13 -1.137 -13.490 -7.894
95 HE2 PHE 13 HE2 PHE 13 1.529 -12.800 -4.639
96 HZ PHE 13 HZ PHE 13 0.926 -14.052 -6.672
97 H SER 14 HN SER 14 -2.484 -7.704 -3.303
98 HA SER 14 HA SER 14 -4.585 -5.910 -4.284
99 HB2 SER 14 HB2 SER 14 -4.818 -7.673 -1.825
100 HB3 SER 14 HB1 SER 14 -5.979 -6.434 -2.302
101 HG SER 14 HG SER 14 -5.525 -8.064 -4.373
102 HA PRO 15 HA PRO 15 -1.506 -3.719 -1.570
103 HB2 PRO 15 HB2 PRO 15 -0.912 -1.666 -3.207
104 HB3 PRO 15 HB1 PRO 15 -0.178 -3.267 -3.421
105 HG2 PRO 15 HG2 PRO 15 -2.427 -2.006 -4.910
106 HG3 PRO 15 HG1 PRO 15 -1.065 -2.969 -5.522
107 HD2 PRO 15 HD2 PRO 15 -3.588 -3.998 -5.087
108 HD3 PRO 15 HD1 PRO 15 -2.105 -4.971 -5.065
109 H LEU 16 HN LEU 16 -1.434 -1.335 -0.930
110 HA LEU 16 HA LEU 16 -4.054 -0.027 -0.996
111 HB2 LEU 16 HB2 LEU 16 -2.506 -0.696 1.513
112 HB3 LEU 16 HB1 LEU 16 -3.829 0.451 1.465
113 HG LEU 16 HG LEU 16 -4.318 -2.338 0.505
114 HD11 LEU 16 HD11 LEU 16 -4.872 -3.030 2.791
115 HD12 LEU 16 HD12 LEU 16 -4.228 -1.506 3.402
116 HD13 LEU 16 HD13 LEU 16 -3.156 -2.663 2.613
117 HD21 LEU 16 HD21 LEU 16 -6.001 -0.315 1.986
118 HD22 LEU 16 HD22 LEU 16 -6.547 -1.890 1.411
119 HD23 LEU 16 HD23 LEU 16 -6.065 -0.649 0.255
Start of MODEL 13
1 H CYS 1 HN CYS 1 -3.691 1.952 0.242
2 HA CYS 1 HA CYS 1 -1.284 3.509 -0.005
3 HB2 CYS 1 HB2 CYS 1 -1.599 2.592 -2.338
4 HB3 CYS 1 HB1 CYS 1 -3.128 3.460 -2.403
5 H PHE 2 HN PHE 2 -1.626 5.461 0.813
6 HA PHE 2 HA PHE 2 -4.353 6.228 1.486
7 HB2 PHE 2 HB2 PHE 2 -1.662 7.308 2.327
8 HB3 PHE 2 HB1 PHE 2 -3.182 8.056 2.803
9 HD1 PHE 2 HD1 PHE 2 -0.971 5.183 3.245
10 HD2 PHE 2 HD2 PHE 2 -4.651 6.981 4.400
11 HE1 PHE 2 HE1 PHE 2 -1.119 3.643 5.158
12 HE2 PHE 2 HE2 PHE 2 -4.805 5.444 6.315
13 HZ PHE 2 HZ PHE 2 -3.038 3.773 6.696
14 HA PRO 3 HA PRO 3 -4.666 9.393 -1.657
15 HB2 PRO 3 HB2 PRO 3 -6.138 11.207 0.087
16 HB3 PRO 3 HB1 PRO 3 -6.740 10.252 -1.279
17 HG2 PRO 3 HG2 PRO 3 -7.440 9.736 1.269
18 HG3 PRO 3 HG1 PRO 3 -7.310 8.474 0.027
19 HD2 PRO 3 HD2 PRO 3 -5.361 9.207 2.180
20 HD3 PRO 3 HD1 PRO 3 -5.877 7.603 1.620
21 H ASP 4 HN ASP 4 -3.663 10.440 1.514
22 HA ASP 4 HA ASP 4 -1.949 12.493 0.292
23 HB2 ASP 4 HB2 ASP 4 -3.653 12.779 2.774
24 HB3 ASP 4 HB1 ASP 4 -2.324 13.870 2.393
25 H GLY 5 HN GLY 5 0.110 12.104 0.687
26 HA2 GLY 5 HA2 GLY 5 1.794 11.951 2.522
27 HA3 GLY 5 HA1 GLY 5 0.832 10.616 3.137
28 H ARG 6 HN ARG 6 1.717 8.715 2.769
29 HA ARG 6 HA ARG 6 2.972 8.179 0.169
30 HB2 ARG 6 HB2 ARG 6 4.197 7.698 2.885
31 HB3 ARG 6 HB1 ARG 6 4.730 6.826 1.454
32 HG2 ARG 6 HG2 ARG 6 5.296 8.970 0.385
33 HG3 ARG 6 HG1 ARG 6 4.814 9.811 1.858
34 HD2 ARG 6 HD2 ARG 6 7.155 9.616 1.990
35 HD3 ARG 6 HD1 ARG 6 6.523 8.370 3.062
36 HE ARG 6 HE ARG 6 6.885 7.147 0.618
37 HH11 ARG 6 HH11 ARG 6 8.966 8.773 2.933
38 HH12 ARG 6 HH12 ARG 6 10.364 7.845 2.503
39 HH21 ARG 6 HH21 ARG 6 8.727 5.945 0.071
40 HH22 ARG 6 HH22 ARG 6 10.227 6.245 0.883
41 H CYS 7 HN CYS 7 3.349 5.795 -0.157
42 HA CYS 7 HA CYS 7 1.482 4.069 1.275
43 HB2 CYS 7 HB2 CYS 7 1.715 4.122 -1.742
44 HB3 CYS 7 HB1 CYS 7 0.562 3.212 -0.781
45 H LYS 8 HN LYS 8 1.878 1.737 0.826
46 HA LYS 8 HA LYS 8 4.569 1.110 -0.154
47 HB2 LYS 8 HB2 LYS 8 3.523 0.432 2.600
48 HB3 LYS 8 HB1 LYS 8 4.852 -0.444 1.854
49 HG2 LYS 8 HG2 LYS 8 6.147 1.623 1.719
50 HG3 LYS 8 HG1 LYS 8 4.810 2.506 2.461
51 HD2 LYS 8 HD2 LYS 8 5.017 1.125 4.472
52 HD3 LYS 8 HD1 LYS 8 6.353 0.243 3.729
53 HE2 LYS 8 HE2 LYS 8 7.649 2.314 3.607
54 HE3 LYS 8 HE1 LYS 8 6.313 3.195 4.346
55 HZ1 LYS 8 HZ1 LYS 8 6.562 1.836 6.329
56 HZ2 LYS 8 HZ2 LYS 8 8.008 2.637 5.970
57 HZ3 LYS 8 HZ3 LYS 8 7.844 0.990 5.619
58 H ARG 9 HN ARG 9 4.190 -0.270 -1.748
59 HA ARG 9 HA ARG 9 2.449 -2.576 -1.253
60 HB2 ARG 9 HB2 ARG 9 2.338 -0.988 -3.827
61 HB3 ARG 9 HB1 ARG 9 1.368 -2.389 -3.416
62 HG2 ARG 9 HG2 ARG 9 -0.180 -0.805 -2.945
63 HG3 ARG 9 HG1 ARG 9 0.667 -0.755 -1.401
64 HD2 ARG 9 HD2 ARG 9 0.416 1.486 -2.116
65 HD3 ARG 9 HD1 ARG 9 2.108 1.063 -2.369
66 HE ARG 9 HE ARG 9 0.437 0.685 -4.687
67 HH11 ARG 9 HH11 ARG 9 2.433 3.002 -2.959
68 HH12 ARG 9 HH12 ARG 9 2.711 3.980 -4.359
69 HH21 ARG 9 HH21 ARG 9 0.815 1.982 -6.507
70 HH22 ARG 9 HH22 ARG 9 1.795 3.402 -6.367
71 HA PRO 10 HA PRO 10 5.742 -4.746 -3.394
72 HB2 PRO 10 HB2 PRO 10 3.961 -6.817 -4.389
73 HB3 PRO 10 HB1 PRO 10 5.106 -6.910 -3.040
74 HG2 PRO 10 HG2 PRO 10 2.419 -7.007 -2.712
75 HG3 PRO 10 HG1 PRO 10 3.536 -6.375 -1.485
76 HD2 PRO 10 HD2 PRO 10 1.842 -4.872 -3.443
77 HD3 PRO 10 HD1 PRO 10 2.151 -4.539 -1.726
78 HA PRO 11 HA PRO 11 5.586 -3.823 -7.778
79 HB2 PRO 11 HB2 PRO 11 6.993 -6.284 -8.551
80 HB3 PRO 11 HB1 PRO 11 7.558 -4.605 -8.621
81 HG2 PRO 11 HG2 PRO 11 8.578 -6.367 -6.885
82 HG3 PRO 11 HG1 PRO 11 8.394 -4.645 -6.491
83 HD2 PRO 11 HD2 PRO 11 6.661 -6.953 -5.691
84 HD3 PRO 11 HD1 PRO 11 7.233 -5.581 -4.719
85 H GLY 12 HN GLY 12 3.663 -3.937 -8.749
86 HA2 GLY 12 HA2 GLY 12 2.573 -5.210 -10.600
87 HA3 GLY 12 HA1 GLY 12 2.634 -6.598 -9.527
88 H PHE 13 HN PHE 13 1.592 -6.045 -7.271
89 HA PHE 13 HA PHE 13 -1.111 -5.082 -7.870
90 HB2 PHE 13 HB2 PHE 13 -0.015 -6.834 -5.666
91 HB3 PHE 13 HB1 PHE 13 -1.669 -6.232 -5.674
92 HD1 PHE 13 HD1 PHE 13 -3.294 -7.078 -7.254
93 HD2 PHE 13 HD2 PHE 13 0.708 -8.527 -7.235
94 HE1 PHE 13 HE1 PHE 13 -3.981 -8.985 -8.648
95 HE2 PHE 13 HE2 PHE 13 0.028 -10.436 -8.631
96 HZ PHE 13 HZ PHE 13 -2.319 -10.667 -9.339
97 H SER 14 HN SER 14 -2.289 -3.875 -6.211
98 HA SER 14 HA SER 14 -0.585 -2.167 -4.542
99 HB2 SER 14 HB2 SER 14 -2.076 -0.222 -5.160
100 HB3 SER 14 HB1 SER 14 -1.114 -0.834 -6.505
101 HG SER 14 HG SER 14 -2.890 -1.323 -7.503
102 HA PRO 15 HA PRO 15 -4.029 -3.875 -1.981
103 HB2 PRO 15 HB2 PRO 15 -2.152 -4.174 0.195
104 HB3 PRO 15 HB1 PRO 15 -3.001 -5.437 -0.712
105 HG2 PRO 15 HG2 PRO 15 -0.321 -5.058 -0.843
106 HG3 PRO 15 HG1 PRO 15 -1.287 -5.746 -2.165
107 HD2 PRO 15 HD2 PRO 15 -0.268 -2.935 -1.846
108 HD3 PRO 15 HD1 PRO 15 -0.311 -3.963 -3.298
109 H LEU 16 HN LEU 16 -1.554 -1.663 -0.688
110 HA LEU 16 HA LEU 16 -3.730 -0.134 0.566
111 HB2 LEU 16 HB2 LEU 16 -1.177 -1.012 1.899
112 HB3 LEU 16 HB1 LEU 16 -2.185 0.275 2.528
113 HG LEU 16 HG LEU 16 -3.413 -2.406 2.026
114 HD11 LEU 16 HD11 LEU 16 -1.372 -2.916 3.246
115 HD12 LEU 16 HD12 LEU 16 -2.784 -3.115 4.283
116 HD13 LEU 16 HD13 LEU 16 -1.764 -1.685 4.446
117 HD21 LEU 16 HD21 LEU 16 -4.840 -0.527 2.663
118 HD22 LEU 16 HD22 LEU 16 -3.863 -0.265 4.107
119 HD23 LEU 16 HD23 LEU 16 -4.799 -1.750 3.933
Start of MODEL 14
1 H CYS 1 HN CYS 1 -4.381 2.248 -0.423
2 HA CYS 1 HA CYS 1 -1.987 3.900 -0.557
3 HB2 CYS 1 HB2 CYS 1 -4.033 3.854 -2.677
4 HB3 CYS 1 HB1 CYS 1 -3.631 5.459 -2.077
5 H PHE 2 HN PHE 2 -2.047 5.465 0.894
6 HA PHE 2 HA PHE 2 -4.484 5.882 2.430
7 HB2 PHE 2 HB2 PHE 2 -1.610 6.706 2.868
8 HB3 PHE 2 HB1 PHE 2 -2.920 7.214 3.929
9 HD1 PHE 2 HD1 PHE 2 -0.837 4.416 2.844
10 HD2 PHE 2 HD2 PHE 2 -4.006 5.637 5.409
11 HE1 PHE 2 HE1 PHE 2 -0.595 2.331 4.128
12 HE2 PHE 2 HE2 PHE 2 -3.768 3.555 6.700
13 HZ PHE 2 HZ PHE 2 -2.061 1.900 6.059
14 HA PRO 3 HA PRO 3 -5.408 9.916 0.725
15 HB2 PRO 3 HB2 PRO 3 -6.017 11.093 3.337
16 HB3 PRO 3 HB1 PRO 3 -7.125 10.661 2.023
17 HG2 PRO 3 HG2 PRO 3 -7.088 9.332 4.352
18 HG3 PRO 3 HG1 PRO 3 -7.460 8.541 2.806
19 HD2 PRO 3 HD2 PRO 3 -4.890 8.548 4.346
20 HD3 PRO 3 HD1 PRO 3 -5.717 7.201 3.539
21 H ASP 4 HN ASP 4 -2.732 9.519 2.609
22 HA ASP 4 HA ASP 4 -1.997 12.317 2.879
23 HB2 ASP 4 HB2 ASP 4 -0.602 9.753 3.637
24 HB3 ASP 4 HB1 ASP 4 0.150 11.335 3.812
25 H GLY 5 HN GLY 5 -1.456 9.690 0.705
26 HA2 GLY 5 HA2 GLY 5 -0.771 10.352 -1.570
27 HA3 GLY 5 HA1 GLY 5 0.453 11.359 -0.816
28 H ARG 6 HN ARG 6 0.924 9.080 1.174
29 HA ARG 6 HA ARG 6 2.841 7.649 -0.508
30 HB2 ARG 6 HB2 ARG 6 2.597 8.022 2.471
31 HB3 ARG 6 HB1 ARG 6 3.706 6.853 1.768
32 HG2 ARG 6 HG2 ARG 6 4.828 8.661 0.550
33 HG3 ARG 6 HG1 ARG 6 3.726 9.827 1.285
34 HD2 ARG 6 HD2 ARG 6 4.547 9.209 3.502
35 HD3 ARG 6 HD1 ARG 6 5.640 8.032 2.774
36 HE ARG 6 HE ARG 6 6.110 10.576 1.657
37 HH11 ARG 6 HH11 ARG 6 6.626 8.834 4.664
38 HH12 ARG 6 HH12 ARG 6 8.014 9.774 5.103
39 HH21 ARG 6 HH21 ARG 6 7.928 11.792 2.253
40 HH22 ARG 6 HH22 ARG 6 8.749 11.447 3.738
41 H CYS 7 HN CYS 7 2.855 5.490 -0.810
42 HA CYS 7 HA CYS 7 0.919 3.801 0.583
43 HB2 CYS 7 HB2 CYS 7 1.288 3.528 -2.393
44 HB3 CYS 7 HB1 CYS 7 -0.025 2.925 -1.389
45 H LYS 8 HN LYS 8 1.365 1.486 0.335
46 HA LYS 8 HA LYS 8 4.096 0.802 -0.488
47 HB2 LYS 8 HB2 LYS 8 2.910 0.322 2.247
48 HB3 LYS 8 HB1 LYS 8 4.271 -0.607 1.639
49 HG2 LYS 8 HG2 LYS 8 5.579 1.445 1.415
50 HG3 LYS 8 HG1 LYS 8 4.210 2.380 2.020
51 HD2 LYS 8 HD2 LYS 8 4.310 1.155 4.137
52 HD3 LYS 8 HD1 LYS 8 5.675 0.215 3.530
53 HE2 LYS 8 HE2 LYS 8 6.989 2.269 3.317
54 HE3 LYS 8 HE1 LYS 8 5.625 3.206 3.922
55 HZ1 LYS 8 HZ1 LYS 8 7.233 2.767 5.665
56 HZ2 LYS 8 HZ2 LYS 8 7.077 1.099 5.429
57 HZ3 LYS 8 HZ3 LYS 8 5.767 1.996 6.010
58 H ARG 9 HN ARG 9 4.439 -1.543 -0.703
59 HA ARG 9 HA ARG 9 1.993 -3.142 -0.954
60 HB2 ARG 9 HB2 ARG 9 4.007 -2.723 -3.180
61 HB3 ARG 9 HB1 ARG 9 2.787 -3.988 -3.190
62 HG2 ARG 9 HG2 ARG 9 1.034 -2.257 -3.106
63 HG3 ARG 9 HG1 ARG 9 2.286 -1.017 -3.182
64 HD2 ARG 9 HD2 ARG 9 3.037 -1.960 -5.339
65 HD3 ARG 9 HD1 ARG 9 1.709 -3.118 -5.268
66 HE ARG 9 HE ARG 9 0.634 -0.556 -5.006
67 HH11 ARG 9 HH11 ARG 9 2.263 -2.455 -7.470
68 HH12 ARG 9 HH12 ARG 9 1.493 -1.626 -8.782
69 HH21 ARG 9 HH21 ARG 9 -0.362 0.516 -6.738
70 HH22 ARG 9 HH22 ARG 9 0.008 0.055 -8.366
71 HA PRO 10 HA PRO 10 5.581 -5.339 1.209
72 HB2 PRO 10 HB2 PRO 10 3.275 -6.437 2.731
73 HB3 PRO 10 HB1 PRO 10 4.829 -5.822 3.314
74 HG2 PRO 10 HG2 PRO 10 2.595 -4.409 3.601
75 HG3 PRO 10 HG1 PRO 10 4.157 -3.636 3.268
76 HD2 PRO 10 HD2 PRO 10 1.853 -4.084 1.437
77 HD3 PRO 10 HD1 PRO 10 3.005 -2.742 1.499
78 HA PRO 11 HA PRO 11 3.659 -9.516 -0.079
79 HB2 PRO 11 HB2 PRO 11 0.998 -9.352 -1.124
80 HB3 PRO 11 HB1 PRO 11 1.516 -10.088 0.401
81 HG2 PRO 11 HG2 PRO 11 -0.064 -7.852 0.214
82 HG3 PRO 11 HG1 PRO 11 0.922 -8.283 1.624
83 HD2 PRO 11 HD2 PRO 11 1.511 -6.329 -0.562
84 HD3 PRO 11 HD1 PRO 11 1.818 -6.204 1.180
85 H GLY 12 HN GLY 12 2.148 -7.094 -2.155
86 HA2 GLY 12 HA2 GLY 12 2.816 -6.529 -4.347
87 HA3 GLY 12 HA1 GLY 12 3.719 -8.032 -4.435
88 H PHE 13 HN PHE 13 0.411 -8.016 -3.332
89 HA PHE 13 HA PHE 13 -0.525 -9.003 -5.942
90 HB2 PHE 13 HB2 PHE 13 -0.975 -10.300 -3.249
91 HB3 PHE 13 HB1 PHE 13 -1.928 -10.688 -4.676
92 HD1 PHE 13 HD1 PHE 13 -0.966 -11.933 -6.516
93 HD2 PHE 13 HD2 PHE 13 1.330 -10.998 -3.057
94 HE1 PHE 13 HE1 PHE 13 0.721 -13.591 -7.193
95 HE2 PHE 13 HE2 PHE 13 3.023 -12.653 -3.728
96 HZ PHE 13 HZ PHE 13 2.719 -13.952 -5.799
97 H SER 14 HN SER 14 -1.328 -7.627 -2.802
98 HA SER 14 HA SER 14 -3.746 -6.433 -3.973
99 HB2 SER 14 HB2 SER 14 -4.778 -6.585 -1.669
100 HB3 SER 14 HB1 SER 14 -4.502 -8.152 -2.430
101 HG SER 14 HG SER 14 -3.182 -8.636 -0.875
102 HA PRO 15 HA PRO 15 -1.059 -3.015 -2.446
103 HB2 PRO 15 HB2 PRO 15 -1.676 -1.149 -4.270
104 HB3 PRO 15 HB1 PRO 15 -0.611 -2.510 -4.669
105 HG2 PRO 15 HG2 PRO 15 -3.507 -2.149 -5.266
106 HG3 PRO 15 HG1 PRO 15 -2.199 -2.721 -6.325
107 HD2 PRO 15 HD2 PRO 15 -3.916 -4.420 -5.036
108 HD3 PRO 15 HD1 PRO 15 -2.251 -4.862 -5.464
109 H LEU 16 HN LEU 16 -1.499 -0.715 -1.873
110 HA LEU 16 HA LEU 16 -4.236 0.034 -1.278
111 HB2 LEU 16 HB2 LEU 16 -2.229 -0.547 0.908
112 HB3 LEU 16 HB1 LEU 16 -3.664 0.424 1.162
113 HG LEU 16 HG LEU 16 -3.984 -2.341 0.073
114 HD11 LEU 16 HD11 LEU 16 -4.058 -3.236 2.354
115 HD12 LEU 16 HD12 LEU 16 -3.502 -1.683 2.976
116 HD13 LEU 16 HD13 LEU 16 -2.452 -2.643 1.933
117 HD21 LEU 16 HD21 LEU 16 -5.929 -0.873 0.245
118 HD22 LEU 16 HD22 LEU 16 -5.612 -0.641 1.964
119 HD23 LEU 16 HD23 LEU 16 -6.064 -2.234 1.358
Start of MODEL 15
1 H CYS 1 HN CYS 1 -3.456 2.195 -0.776
2 HA CYS 1 HA CYS 1 -1.034 3.775 -0.450
3 HB2 CYS 1 HB2 CYS 1 -1.898 3.074 -3.033
4 HB3 CYS 1 HB1 CYS 1 -2.402 4.743 -2.799
5 H PHE 2 HN PHE 2 -1.459 5.474 0.730
6 HA PHE 2 HA PHE 2 -4.207 6.198 1.290
7 HB2 PHE 2 HB2 PHE 2 -1.568 7.139 2.389
8 HB3 PHE 2 HB1 PHE 2 -3.096 7.872 2.863
9 HD1 PHE 2 HD1 PHE 2 -4.682 6.666 4.238
10 HD2 PHE 2 HD2 PHE 2 -0.980 4.903 3.097
11 HE1 PHE 2 HE1 PHE 2 -4.985 4.929 5.952
12 HE2 PHE 2 HE2 PHE 2 -1.277 3.162 4.809
13 HZ PHE 2 HZ PHE 2 -3.282 3.173 6.240
14 HA PRO 3 HA PRO 3 -4.374 9.754 -1.419
15 HB2 PRO 3 HB2 PRO 3 -6.251 11.178 0.251
16 HB3 PRO 3 HB1 PRO 3 -6.580 10.244 -1.216
17 HG2 PRO 3 HG2 PRO 3 -7.440 9.515 1.263
18 HG3 PRO 3 HG1 PRO 3 -7.148 8.375 -0.065
19 HD2 PRO 3 HD2 PRO 3 -5.399 9.034 2.271
20 HD3 PRO 3 HD1 PRO 3 -5.749 7.460 1.527
21 H ASP 4 HN ASP 4 -3.292 10.108 1.792
22 HA ASP 4 HA ASP 4 -2.808 12.967 1.647
23 HB2 ASP 4 HB2 ASP 4 -2.195 10.887 3.746
24 HB3 ASP 4 HB1 ASP 4 -1.679 12.565 3.887
25 H GLY 5 HN GLY 5 -1.147 10.083 0.848
26 HA2 GLY 5 HA2 GLY 5 0.799 10.328 -0.613
27 HA3 GLY 5 HA1 GLY 5 1.345 11.619 0.446
28 H ARG 6 HN ARG 6 0.064 8.440 1.356
29 HA ARG 6 HA ARG 6 2.724 7.696 2.359
30 HB2 ARG 6 HB2 ARG 6 0.110 7.594 3.856
31 HB3 ARG 6 HB1 ARG 6 1.480 6.594 4.315
32 HG2 ARG 6 HG2 ARG 6 2.830 8.602 4.657
33 HG3 ARG 6 HG1 ARG 6 1.452 9.604 4.200
34 HD2 ARG 6 HD2 ARG 6 0.176 8.703 6.085
35 HD3 ARG 6 HD1 ARG 6 1.556 7.706 6.542
36 HE ARG 6 HE ARG 6 2.401 10.368 6.431
37 HH11 ARG 6 HH11 ARG 6 0.275 8.379 8.397
38 HH12 ARG 6 HH12 ARG 6 0.496 9.346 9.817
39 HH21 ARG 6 HH21 ARG 6 2.675 11.618 8.302
40 HH22 ARG 6 HH22 ARG 6 1.853 11.177 9.762
41 H CYS 7 HN CYS 7 3.327 6.028 1.215
42 HA CYS 7 HA CYS 7 1.584 3.719 0.934
43 HB2 CYS 7 HB2 CYS 7 2.044 5.414 -1.182
44 HB3 CYS 7 HB1 CYS 7 3.321 4.223 -1.393
45 H LYS 8 HN LYS 8 2.608 1.743 0.999
46 HA LYS 8 HA LYS 8 5.537 1.695 1.176
47 HB2 LYS 8 HB2 LYS 8 3.637 0.739 3.317
48 HB3 LYS 8 HB1 LYS 8 5.286 0.144 3.202
49 HG2 LYS 8 HG2 LYS 8 6.134 2.417 3.484
50 HG3 LYS 8 HG1 LYS 8 4.478 3.021 3.587
51 HD2 LYS 8 HD2 LYS 8 4.108 1.653 5.586
52 HD3 LYS 8 HD1 LYS 8 5.766 1.054 5.482
53 HE2 LYS 8 HE2 LYS 8 6.604 3.334 5.775
54 HE3 LYS 8 HE1 LYS 8 4.949 3.933 5.873
55 HZ1 LYS 8 HZ1 LYS 8 4.624 2.597 7.861
56 HZ2 LYS 8 HZ2 LYS 8 5.920 3.662 8.065
57 HZ3 LYS 8 HZ3 LYS 8 6.212 2.023 7.766
58 H ARG 9 HN ARG 9 3.172 0.623 -0.561
59 HA ARG 9 HA ARG 9 4.334 -2.039 -0.939
60 HB2 ARG 9 HB2 ARG 9 1.403 -1.447 -0.565
61 HB3 ARG 9 HB1 ARG 9 1.965 -2.898 -1.382
62 HG2 ARG 9 HG2 ARG 9 3.189 -3.551 0.642
63 HG3 ARG 9 HG1 ARG 9 2.585 -2.108 1.458
64 HD2 ARG 9 HD2 ARG 9 0.289 -2.898 1.142
65 HD3 ARG 9 HD1 ARG 9 0.897 -4.339 0.330
66 HE ARG 9 HE ARG 9 2.080 -4.134 2.874
67 HH11 ARG 9 HH11 ARG 9 -1.037 -4.872 1.435
68 HH12 ARG 9 HH12 ARG 9 -1.537 -5.876 2.755
69 HH21 ARG 9 HH21 ARG 9 1.405 -5.452 4.590
70 HH22 ARG 9 HH22 ARG 9 -0.154 -6.203 4.539
71 HA PRO 10 HA PRO 10 4.322 -0.284 -5.143
72 HB2 PRO 10 HB2 PRO 10 5.366 -2.956 -5.887
73 HB3 PRO 10 HB1 PRO 10 6.086 -1.356 -6.148
74 HG2 PRO 10 HG2 PRO 10 7.100 -3.040 -4.365
75 HG3 PRO 10 HG1 PRO 10 7.049 -1.290 -4.067
76 HD2 PRO 10 HD2 PRO 10 5.267 -3.436 -2.989
77 HD3 PRO 10 HD1 PRO 10 5.964 -2.022 -2.170
78 HA PRO 11 HA PRO 11 0.695 -2.066 -7.086
79 HB2 PRO 11 HB2 PRO 11 1.953 -2.065 -9.756
80 HB3 PRO 11 HB1 PRO 11 0.557 -1.141 -9.173
81 HG2 PRO 11 HG2 PRO 11 2.879 0.048 -9.687
82 HG3 PRO 11 HG1 PRO 11 1.848 0.559 -8.334
83 HD2 PRO 11 HD2 PRO 11 4.312 -1.141 -8.283
84 HD3 PRO 11 HD1 PRO 11 3.827 0.176 -7.196
85 H GLY 12 HN GLY 12 -0.074 -4.066 -7.211
86 HA2 GLY 12 HA2 GLY 12 1.316 -6.146 -8.692
87 HA3 GLY 12 HA1 GLY 12 1.211 -6.401 -6.957
88 H PHE 13 HN PHE 13 -0.604 -7.244 -6.114
89 HA PHE 13 HA PHE 13 -2.848 -7.724 -7.957
90 HB2 PHE 13 HB2 PHE 13 -1.886 -9.306 -5.567
91 HB3 PHE 13 HB1 PHE 13 -3.419 -9.615 -6.374
92 HD1 PHE 13 HD1 PHE 13 0.218 -9.856 -6.625
93 HD2 PHE 13 HD2 PHE 13 -3.489 -10.614 -8.575
94 HE1 PHE 13 HE1 PHE 13 1.368 -11.320 -8.233
95 HE2 PHE 13 HE2 PHE 13 -2.345 -12.079 -10.187
96 HZ PHE 13 HZ PHE 13 0.086 -12.435 -10.017
97 H SER 14 HN SER 14 -2.173 -7.115 -4.499
98 HA SER 14 HA SER 14 -4.571 -5.442 -4.372
99 HB2 SER 14 HB2 SER 14 -3.937 -7.636 -2.376
100 HB3 SER 14 HB1 SER 14 -5.229 -6.450 -2.203
101 HG SER 14 HG SER 14 -5.917 -7.317 -4.361
102 HA PRO 15 HA PRO 15 -0.948 -3.464 -2.229
103 HB2 PRO 15 HB2 PRO 15 -0.723 -1.234 -3.713
104 HB3 PRO 15 HB1 PRO 15 -0.057 -2.782 -4.267
105 HG2 PRO 15 HG2 PRO 15 -2.542 -1.386 -5.107
106 HG3 PRO 15 HG1 PRO 15 -1.377 -2.308 -6.079
107 HD2 PRO 15 HD2 PRO 15 -3.805 -3.312 -5.140
108 HD3 PRO 15 HD1 PRO 15 -2.428 -4.301 -5.660
109 H LEU 16 HN LEU 16 -0.789 -1.111 -1.368
110 HA LEU 16 HA LEU 16 -3.418 0.028 -0.742
111 HB2 LEU 16 HB2 LEU 16 -1.314 -0.761 1.276
112 HB3 LEU 16 HB1 LEU 16 -2.621 0.349 1.640
113 HG LEU 16 HG LEU 16 -3.273 -2.379 0.591
114 HD11 LEU 16 HD11 LEU 16 -1.687 -2.796 2.383
115 HD12 LEU 16 HD12 LEU 16 -3.319 -3.232 2.889
116 HD13 LEU 16 HD13 LEU 16 -2.592 -1.728 3.455
117 HD21 LEU 16 HD21 LEU 16 -5.271 -2.061 1.969
118 HD22 LEU 16 HD22 LEU 16 -5.063 -0.731 0.831
119 HD23 LEU 16 HD23 LEU 16 -4.642 -0.511 2.529
Start of MODEL 16
1 H CYS 1 HN CYS 1 -4.679 2.475 1.520
2 HA CYS 1 HA CYS 1 -2.043 3.418 0.707
3 HB2 CYS 1 HB2 CYS 1 -3.421 1.945 -1.124
4 HB3 CYS 1 HB1 CYS 1 -4.029 3.559 -1.480
5 H PHE 2 HN PHE 2 -1.905 5.474 1.195
6 HA PHE 2 HA PHE 2 -4.344 7.051 1.540
7 HB2 PHE 2 HB2 PHE 2 -1.501 7.456 2.454
8 HB3 PHE 2 HB1 PHE 2 -2.716 8.721 2.587
9 HD1 PHE 2 HD1 PHE 2 -4.584 8.492 4.138
10 HD2 PHE 2 HD2 PHE 2 -1.539 5.530 3.883
11 HE1 PHE 2 HE1 PHE 2 -5.322 7.554 6.289
12 HE2 PHE 2 HE2 PHE 2 -2.273 4.586 6.033
13 HZ PHE 2 HZ PHE 2 -4.168 5.598 7.239
14 HA PRO 3 HA PRO 3 -3.455 9.265 -2.277
15 HB2 PRO 3 HB2 PRO 3 -5.214 11.434 -1.477
16 HB3 PRO 3 HB1 PRO 3 -5.489 10.185 -2.703
17 HG2 PRO 3 HG2 PRO 3 -6.894 10.321 -0.396
18 HG3 PRO 3 HG1 PRO 3 -6.573 8.803 -1.258
19 HD2 PRO 3 HD2 PRO 3 -5.199 9.930 1.152
20 HD3 PRO 3 HD1 PRO 3 -5.697 8.261 0.808
21 H ASP 4 HN ASP 4 -3.143 10.774 0.824
22 HA ASP 4 HA ASP 4 -1.173 12.664 -0.277
23 HB2 ASP 4 HB2 ASP 4 -3.308 13.223 1.785
24 HB3 ASP 4 HB1 ASP 4 -1.906 14.264 1.555
25 H GLY 5 HN GLY 5 -1.893 10.236 1.987
26 HA2 GLY 5 HA2 GLY 5 0.201 11.001 3.874
27 HA3 GLY 5 HA1 GLY 5 -0.895 9.637 4.031
28 H ARG 6 HN ARG 6 0.381 7.912 4.249
29 HA ARG 6 HA ARG 6 2.514 7.499 2.255
30 HB2 ARG 6 HB2 ARG 6 2.395 6.727 5.165
31 HB3 ARG 6 HB1 ARG 6 3.520 5.970 4.047
32 HG2 ARG 6 HG2 ARG 6 4.507 8.158 3.565
33 HG3 ARG 6 HG1 ARG 6 3.386 8.907 4.703
34 HD2 ARG 6 HD2 ARG 6 4.325 7.564 6.516
35 HD3 ARG 6 HD1 ARG 6 5.439 6.803 5.380
36 HE ARG 6 HE ARG 6 5.758 9.596 5.264
37 HH11 ARG 6 HH11 ARG 6 6.436 6.927 7.444
38 HH12 ARG 6 HH12 ARG 6 7.788 7.721 8.180
39 HH21 ARG 6 HH21 ARG 6 7.531 10.616 6.241
40 HH22 ARG 6 HH22 ARG 6 8.406 9.808 7.498
41 H CYS 7 HN CYS 7 2.612 5.587 1.193
42 HA CYS 7 HA CYS 7 0.787 3.431 1.911
43 HB2 CYS 7 HB2 CYS 7 -0.355 4.775 0.203
44 HB3 CYS 7 HB1 CYS 7 1.053 4.666 -0.843
45 H LYS 8 HN LYS 8 1.342 1.376 1.055
46 HA LYS 8 HA LYS 8 3.994 1.093 -0.167
47 HB2 LYS 8 HB2 LYS 8 3.093 -0.204 2.410
48 HB3 LYS 8 HB1 LYS 8 4.410 -0.851 1.443
49 HG2 LYS 8 HG2 LYS 8 5.642 1.241 1.711
50 HG3 LYS 8 HG1 LYS 8 4.315 1.898 2.673
51 HD2 LYS 8 HD2 LYS 8 4.644 0.125 4.331
52 HD3 LYS 8 HD1 LYS 8 5.971 -0.528 3.369
53 HE2 LYS 8 HE2 LYS 8 7.203 1.567 3.649
54 HE3 LYS 8 HE1 LYS 8 5.875 2.221 4.608
55 HZ1 LYS 8 HZ1 LYS 8 7.652 1.389 6.013
56 HZ2 LYS 8 HZ2 LYS 8 7.518 -0.148 5.321
57 HZ3 LYS 8 HZ3 LYS 8 6.245 0.477 6.241
58 H ARG 9 HN ARG 9 4.348 -1.067 -1.101
59 HA ARG 9 HA ARG 9 1.917 -2.639 -1.539
60 HB2 ARG 9 HB2 ARG 9 3.590 -1.386 -3.716
61 HB3 ARG 9 HB1 ARG 9 2.554 -2.773 -4.017
62 HG2 ARG 9 HG2 ARG 9 0.608 -1.477 -3.305
63 HG3 ARG 9 HG1 ARG 9 1.650 -0.085 -3.000
64 HD2 ARG 9 HD2 ARG 9 2.286 -0.047 -5.363
65 HD3 ARG 9 HD1 ARG 9 1.247 -1.438 -5.666
66 HE ARG 9 HE ARG 9 -0.300 0.576 -4.493
67 HH11 ARG 9 HH11 ARG 9 1.381 -0.008 -7.521
68 HH12 ARG 9 HH12 ARG 9 0.311 0.995 -8.441
69 HH21 ARG 9 HH21 ARG 9 -1.689 1.883 -5.718
70 HH22 ARG 9 HH22 ARG 9 -1.425 2.065 -7.420
71 HA PRO 10 HA PRO 10 5.666 -5.361 -0.960
72 HB2 PRO 10 HB2 PRO 10 4.466 -6.486 1.409
73 HB3 PRO 10 HB1 PRO 10 5.917 -5.478 1.303
74 HG2 PRO 10 HG2 PRO 10 3.596 -4.693 2.514
75 HG3 PRO 10 HG1 PRO 10 4.803 -3.580 1.842
76 HD2 PRO 10 HD2 PRO 10 2.225 -4.513 0.643
77 HD3 PRO 10 HD1 PRO 10 2.953 -2.890 0.635
78 HA PRO 11 HA PRO 11 3.793 -9.092 -2.621
79 HB2 PRO 11 HB2 PRO 11 5.190 -10.791 -0.617
80 HB3 PRO 11 HB1 PRO 11 5.264 -10.848 -2.388
81 HG2 PRO 11 HG2 PRO 11 7.305 -9.920 -0.988
82 HG3 PRO 11 HG1 PRO 11 6.824 -9.160 -2.520
83 HD2 PRO 11 HD2 PRO 11 6.311 -8.242 0.280
84 HD3 PRO 11 HD1 PRO 11 6.764 -7.298 -1.153
85 H GLY 12 HN GLY 12 1.688 -9.367 -2.267
86 HA2 GLY 12 HA2 GLY 12 -0.027 -10.705 -1.235
87 HA3 GLY 12 HA1 GLY 12 0.817 -10.529 0.297
88 H PHE 13 HN PHE 13 -1.687 -9.399 -1.624
89 HA PHE 13 HA PHE 13 -1.838 -6.679 -0.846
90 HB2 PHE 13 HB2 PHE 13 -3.042 -7.963 -2.776
91 HB3 PHE 13 HB1 PHE 13 -4.271 -8.289 -1.560
92 HD1 PHE 13 HD1 PHE 13 -5.656 -6.507 -0.683
93 HD2 PHE 13 HD2 PHE 13 -2.683 -5.729 -3.627
94 HE1 PHE 13 HE1 PHE 13 -6.672 -4.310 -1.123
95 HE2 PHE 13 HE2 PHE 13 -3.692 -3.530 -4.071
96 HZ PHE 13 HZ PHE 13 -5.690 -2.817 -2.819
97 H SER 14 HN SER 14 -1.972 -6.040 1.178
98 HA SER 14 HA SER 14 -4.161 -6.940 2.854
99 HB2 SER 14 HB2 SER 14 -1.280 -7.185 3.748
100 HB3 SER 14 HB1 SER 14 -2.658 -7.261 4.843
101 HG SER 14 HG SER 14 -2.916 -9.256 4.272
102 HA PRO 15 HA PRO 15 -2.245 -2.821 4.741
103 HB2 PRO 15 HB2 PRO 15 -0.552 -1.427 3.078
104 HB3 PRO 15 HB1 PRO 15 0.005 -2.532 4.349
105 HG2 PRO 15 HG2 PRO 15 -0.304 -3.027 1.424
106 HG3 PRO 15 HG1 PRO 15 1.031 -3.474 2.509
107 HD2 PRO 15 HD2 PRO 15 -0.801 -5.290 1.801
108 HD3 PRO 15 HD1 PRO 15 -0.145 -5.255 3.449
109 H LEU 16 HN LEU 16 -2.372 -0.387 3.930
110 HA LEU 16 HA LEU 16 -4.543 -0.266 1.947
111 HB2 LEU 16 HB2 LEU 16 -5.530 1.551 3.156
112 HB3 LEU 16 HB1 LEU 16 -5.228 0.247 4.278
113 HG LEU 16 HG LEU 16 -3.355 2.606 4.060
114 HD11 LEU 16 HD11 LEU 16 -5.580 3.482 4.492
115 HD12 LEU 16 HD12 LEU 16 -4.566 3.611 5.929
116 HD13 LEU 16 HD13 LEU 16 -5.785 2.342 5.822
117 HD21 LEU 16 HD21 LEU 16 -3.914 0.560 6.213
118 HD22 LEU 16 HD22 LEU 16 -2.887 1.977 6.427
119 HD23 LEU 16 HD23 LEU 16 -2.437 0.732 5.264
Start of MODEL 17
1 H CYS 1 HN CYS 1 -3.337 1.922 -0.605
2 HA CYS 1 HA CYS 1 -1.002 3.648 -0.411
3 HB2 CYS 1 HB2 CYS 1 -2.369 3.090 -2.949
4 HB3 CYS 1 HB1 CYS 1 -2.248 4.806 -2.573
5 H PHE 2 HN PHE 2 -1.459 5.494 0.605
6 HA PHE 2 HA PHE 2 -4.188 5.976 1.456
7 HB2 PHE 2 HB2 PHE 2 -1.560 7.287 2.163
8 HB3 PHE 2 HB1 PHE 2 -3.106 7.837 2.801
9 HD1 PHE 2 HD1 PHE 2 -0.579 5.200 2.885
10 HD2 PHE 2 HD2 PHE 2 -4.321 6.518 4.426
11 HE1 PHE 2 HE1 PHE 2 -0.411 3.545 4.697
12 HE2 PHE 2 HE2 PHE 2 -4.159 4.865 6.242
13 HZ PHE 2 HZ PHE 2 -2.202 3.376 6.379
14 HA PRO 3 HA PRO 3 -5.166 9.238 -1.436
15 HB2 PRO 3 HB2 PRO 3 -6.368 10.899 0.670
16 HB3 PRO 3 HB1 PRO 3 -7.148 10.106 -0.709
17 HG2 PRO 3 HG2 PRO 3 -7.545 9.265 1.791
18 HG3 PRO 3 HG1 PRO 3 -7.476 8.141 0.419
19 HD2 PRO 3 HD2 PRO 3 -5.362 8.769 2.445
20 HD3 PRO 3 HD1 PRO 3 -5.857 7.200 1.777
21 H ASP 4 HN ASP 4 -3.738 10.269 1.583
22 HA ASP 4 HA ASP 4 -2.160 12.286 0.159
23 HB2 ASP 4 HB2 ASP 4 -3.744 12.773 2.690
24 HB3 ASP 4 HB1 ASP 4 -2.435 13.824 2.160
25 H GLY 5 HN GLY 5 -0.110 11.754 0.419
26 HA2 GLY 5 HA2 GLY 5 1.638 11.791 2.265
27 HA3 GLY 5 HA1 GLY 5 0.719 10.454 2.936
28 H ARG 6 HN ARG 6 1.677 8.583 2.618
29 HA ARG 6 HA ARG 6 2.886 7.997 0.004
30 HB2 ARG 6 HB2 ARG 6 4.156 7.627 2.719
31 HB3 ARG 6 HB1 ARG 6 4.701 6.734 1.306
32 HG2 ARG 6 HG2 ARG 6 5.248 8.820 0.179
33 HG3 ARG 6 HG1 ARG 6 4.663 9.736 1.570
34 HD2 ARG 6 HD2 ARG 6 6.377 8.682 2.971
35 HD3 ARG 6 HD1 ARG 6 6.965 7.785 1.572
36 HE ARG 6 HE ARG 6 7.023 10.469 0.883
37 HH11 ARG 6 HH11 ARG 6 8.600 8.416 3.257
38 HH12 ARG 6 HH12 ARG 6 10.030 9.390 3.318
39 HH21 ARG 6 HH21 ARG 6 8.905 11.728 0.979
40 HH22 ARG 6 HH22 ARG 6 10.201 11.264 2.029
41 H CYS 7 HN CYS 7 3.710 5.433 0.385
42 HA CYS 7 HA CYS 7 1.466 3.905 1.476
43 HB2 CYS 7 HB2 CYS 7 2.627 3.217 -1.224
44 HB3 CYS 7 HB1 CYS 7 1.106 2.684 -0.520
45 H LYS 8 HN LYS 8 2.176 1.368 0.941
46 HA LYS 8 HA LYS 8 5.007 1.036 1.637
47 HB2 LYS 8 HB2 LYS 8 2.671 0.025 3.254
48 HB3 LYS 8 HB1 LYS 8 4.267 -0.701 3.368
49 HG2 LYS 8 HG2 LYS 8 5.195 1.445 4.080
50 HG3 LYS 8 HG1 LYS 8 3.593 2.176 3.961
51 HD2 LYS 8 HD2 LYS 8 2.766 0.631 5.672
52 HD3 LYS 8 HD1 LYS 8 4.368 -0.097 5.790
53 HE2 LYS 8 HE2 LYS 8 5.289 2.052 6.512
54 HE3 LYS 8 HE1 LYS 8 3.687 2.779 6.393
55 HZ1 LYS 8 HZ1 LYS 8 4.448 0.563 8.219
56 HZ2 LYS 8 HZ2 LYS 8 2.911 1.260 8.106
57 HZ3 LYS 8 HZ3 LYS 8 4.217 2.178 8.669
58 H ARG 9 HN ARG 9 2.615 0.224 -0.417
59 HA ARG 9 HA ARG 9 3.894 -2.318 -1.113
60 HB2 ARG 9 HB2 ARG 9 0.939 -1.905 -0.701
61 HB3 ARG 9 HB1 ARG 9 1.562 -3.201 -1.712
62 HG2 ARG 9 HG2 ARG 9 2.903 -3.953 0.290
63 HG3 ARG 9 HG1 ARG 9 1.956 -2.806 1.240
64 HD2 ARG 9 HD2 ARG 9 -0.106 -3.941 0.480
65 HD3 ARG 9 HD1 ARG 9 0.889 -5.125 -0.366
66 HE ARG 9 HE ARG 9 1.659 -4.996 2.344
67 HH11 ARG 9 HH11 ARG 9 -0.977 -6.194 0.356
68 HH12 ARG 9 HH12 ARG 9 -1.405 -7.444 1.476
69 HH21 ARG 9 HH21 ARG 9 1.081 -6.640 3.795
70 HH22 ARG 9 HH22 ARG 9 -0.241 -7.695 3.420
71 HA PRO 10 HA PRO 10 3.856 -0.054 -5.060
72 HB2 PRO 10 HB2 PRO 10 4.965 -2.580 -6.136
73 HB3 PRO 10 HB1 PRO 10 5.651 -0.945 -6.180
74 HG2 PRO 10 HG2 PRO 10 6.691 -2.824 -4.622
75 HG3 PRO 10 HG1 PRO 10 6.600 -1.129 -4.100
76 HD2 PRO 10 HD2 PRO 10 4.861 -3.436 -3.324
77 HD3 PRO 10 HD1 PRO 10 5.520 -2.124 -2.324
78 HA PRO 11 HA PRO 11 0.288 -1.676 -7.237
79 HB2 PRO 11 HB2 PRO 11 1.491 -1.201 -9.882
80 HB3 PRO 11 HB1 PRO 11 0.096 -0.409 -9.127
81 HG2 PRO 11 HG2 PRO 11 2.399 0.882 -9.498
82 HG3 PRO 11 HG1 PRO 11 1.377 1.172 -8.075
83 HD2 PRO 11 HD2 PRO 11 3.865 -0.481 -8.300
84 HD3 PRO 11 HD1 PRO 11 3.377 0.657 -7.028
85 H GLY 12 HN GLY 12 -0.419 -3.642 -7.744
86 HA2 GLY 12 HA2 GLY 12 0.612 -5.370 -9.684
87 HA3 GLY 12 HA1 GLY 12 1.326 -5.828 -8.144
88 H PHE 13 HN PHE 13 0.076 -6.797 -6.577
89 HA PHE 13 HA PHE 13 -2.689 -7.468 -7.342
90 HB2 PHE 13 HB2 PHE 13 -0.857 -9.324 -7.488
91 HB3 PHE 13 HB1 PHE 13 -0.977 -9.347 -5.733
92 HD1 PHE 13 HD1 PHE 13 -2.971 -10.170 -4.632
93 HD2 PHE 13 HD2 PHE 13 -2.670 -10.114 -8.878
94 HE1 PHE 13 HE1 PHE 13 -4.909 -11.679 -4.786
95 HE2 PHE 13 HE2 PHE 13 -4.608 -11.623 -9.038
96 HZ PHE 13 HZ PHE 13 -5.730 -12.406 -6.991
97 H SER 14 HN SER 14 -3.974 -6.366 -6.043
98 HA SER 14 HA SER 14 -4.907 -5.341 -4.252
99 HB2 SER 14 HB2 SER 14 -3.836 -7.790 -2.824
100 HB3 SER 14 HB1 SER 14 -5.062 -6.699 -2.179
101 HG SER 14 HG SER 14 -6.505 -7.592 -3.427
102 HA PRO 15 HA PRO 15 -0.955 -3.554 -2.520
103 HB2 PRO 15 HB2 PRO 15 -0.841 -1.224 -3.857
104 HB3 PRO 15 HB1 PRO 15 -0.271 -2.737 -4.586
105 HG2 PRO 15 HG2 PRO 15 -2.781 -1.233 -5.077
106 HG3 PRO 15 HG1 PRO 15 -1.762 -2.141 -6.212
107 HD2 PRO 15 HD2 PRO 15 -4.123 -3.099 -5.038
108 HD3 PRO 15 HD1 PRO 15 -2.881 -4.098 -5.814
109 H LEU 16 HN LEU 16 -0.653 -1.247 -1.535
110 HA LEU 16 HA LEU 16 -3.189 -0.196 -0.494
111 HB2 LEU 16 HB2 LEU 16 -0.784 -1.013 1.131
112 HB3 LEU 16 HB1 LEU 16 -2.018 0.069 1.746
113 HG LEU 16 HG LEU 16 -2.746 -2.668 0.738
114 HD11 LEU 16 HD11 LEU 16 -2.524 -3.514 3.009
115 HD12 LEU 16 HD12 LEU 16 -1.860 -1.966 3.533
116 HD13 LEU 16 HD13 LEU 16 -0.966 -2.966 2.389
117 HD21 LEU 16 HD21 LEU 16 -4.581 -1.122 1.120
118 HD22 LEU 16 HD22 LEU 16 -3.987 -0.784 2.745
119 HD23 LEU 16 HD23 LEU 16 -4.596 -2.390 2.346
Start of MODEL 18
1 H CYS 1 HN CYS 1 -3.705 2.590 3.065
2 HA CYS 1 HA CYS 1 -1.546 3.427 1.313
3 HB2 CYS 1 HB2 CYS 1 -3.096 1.476 0.302
4 HB3 CYS 1 HB1 CYS 1 -4.078 2.873 -0.133
5 H PHE 2 HN PHE 2 -1.503 5.536 1.396
6 HA PHE 2 HA PHE 2 -4.046 6.995 1.695
7 HB2 PHE 2 HB2 PHE 2 -1.903 7.031 3.413
8 HB3 PHE 2 HB1 PHE 2 -1.616 8.460 2.426
9 HD1 PHE 2 HD1 PHE 2 -3.783 6.897 4.904
10 HD2 PHE 2 HD2 PHE 2 -3.176 10.332 2.465
11 HE1 PHE 2 HE1 PHE 2 -5.419 8.142 6.255
12 HE2 PHE 2 HE2 PHE 2 -4.810 11.583 3.812
13 HZ PHE 2 HZ PHE 2 -5.934 10.488 5.709
14 HA PRO 3 HA PRO 3 -2.879 8.766 -2.300
15 HB2 PRO 3 HB2 PRO 3 -5.025 10.712 -2.054
16 HB3 PRO 3 HB1 PRO 3 -4.924 9.311 -3.133
17 HG2 PRO 3 HG2 PRO 3 -6.689 9.466 -1.095
18 HG3 PRO 3 HG1 PRO 3 -6.013 7.934 -1.684
19 HD2 PRO 3 HD2 PRO 3 -5.227 9.542 0.716
20 HD3 PRO 3 HD1 PRO 3 -5.430 7.787 0.546
21 H ASP 4 HN ASP 4 -3.458 10.762 0.501
22 HA ASP 4 HA ASP 4 -1.874 12.958 -0.628
23 HB2 ASP 4 HB2 ASP 4 -3.722 12.822 1.754
24 HB3 ASP 4 HB1 ASP 4 -2.688 14.209 1.426
25 H GLY 5 HN GLY 5 -1.665 10.359 1.577
26 HA2 GLY 5 HA2 GLY 5 0.608 11.548 3.012
27 HA3 GLY 5 HA1 GLY 5 -0.262 10.098 3.489
28 H ARG 6 HN ARG 6 0.941 8.345 3.327
29 HA ARG 6 HA ARG 6 2.649 7.995 0.960
30 HB2 ARG 6 HB2 ARG 6 3.445 7.600 3.843
31 HB3 ARG 6 HB1 ARG 6 4.308 6.830 2.519
32 HG2 ARG 6 HG2 ARG 6 4.813 9.035 1.574
33 HG3 ARG 6 HG1 ARG 6 3.962 9.798 2.916
34 HD2 ARG 6 HD2 ARG 6 6.289 7.930 3.310
35 HD3 ARG 6 HD1 ARG 6 6.490 9.668 3.097
36 HE ARG 6 HE ARG 6 4.631 9.227 5.149
37 HH11 ARG 6 HH11 ARG 6 8.070 8.806 4.577
38 HH12 ARG 6 HH12 ARG 6 8.485 8.973 6.250
39 HH21 ARG 6 HH21 ARG 6 5.196 9.441 7.333
40 HH22 ARG 6 HH22 ARG 6 6.859 9.332 7.809
41 H CYS 7 HN CYS 7 2.742 5.963 0.136
42 HA CYS 7 HA CYS 7 1.477 3.760 1.567
43 HB2 CYS 7 HB2 CYS 7 -0.244 4.748 0.083
44 HB3 CYS 7 HB1 CYS 7 0.833 4.547 -1.291
45 H LYS 8 HN LYS 8 1.974 1.633 0.624
46 HA LYS 8 HA LYS 8 4.347 1.562 -1.100
47 HB2 LYS 8 HB2 LYS 8 4.127 0.312 1.637
48 HB3 LYS 8 HB1 LYS 8 5.289 -0.244 0.442
49 HG2 LYS 8 HG2 LYS 8 6.305 1.976 0.390
50 HG3 LYS 8 HG1 LYS 8 5.134 2.539 1.583
51 HD2 LYS 8 HD2 LYS 8 5.986 0.897 3.189
52 HD3 LYS 8 HD1 LYS 8 7.158 0.339 1.994
53 HE2 LYS 8 HE2 LYS 8 8.177 2.562 1.957
54 HE3 LYS 8 HE1 LYS 8 7.003 3.121 3.148
55 HZ1 LYS 8 HZ1 LYS 8 7.886 1.513 4.720
56 HZ2 LYS 8 HZ2 LYS 8 9.107 2.552 4.183
57 HZ3 LYS 8 HZ3 LYS 8 9.012 0.976 3.577
58 H ARG 9 HN ARG 9 4.452 -0.143 -2.454
59 HA ARG 9 HA ARG 9 2.590 -2.372 -2.133
60 HB2 ARG 9 HB2 ARG 9 2.613 -0.433 -4.408
61 HB3 ARG 9 HB1 ARG 9 2.237 -2.117 -4.738
62 HG2 ARG 9 HG2 ARG 9 0.788 -0.760 -2.526
63 HG3 ARG 9 HG1 ARG 9 0.357 -0.352 -4.186
64 HD2 ARG 9 HD2 ARG 9 -0.049 -2.714 -4.666
65 HD3 ARG 9 HD1 ARG 9 0.402 -3.133 -3.013
66 HE ARG 9 HE ARG 9 -1.646 -1.270 -2.843
67 HH11 ARG 9 HH11 ARG 9 -1.262 -4.534 -4.079
68 HH12 ARG 9 HH12 ARG 9 -2.919 -4.958 -3.801
69 HH21 ARG 9 HH21 ARG 9 -3.810 -1.845 -2.487
70 HH22 ARG 9 HH22 ARG 9 -4.358 -3.435 -2.900
71 HA PRO 10 HA PRO 10 6.214 -3.477 -5.385
72 HB2 PRO 10 HB2 PRO 10 8.273 -1.648 -4.242
73 HB3 PRO 10 HB1 PRO 10 8.031 -2.178 -5.915
74 HG2 PRO 10 HG2 PRO 10 7.340 0.257 -5.184
75 HG3 PRO 10 HG1 PRO 10 6.325 -0.682 -6.300
76 HD2 PRO 10 HD2 PRO 10 5.905 -0.103 -3.403
77 HD3 PRO 10 HD1 PRO 10 4.725 -0.198 -4.722
78 HA PRO 11 HA PRO 11 9.099 -4.531 -1.452
79 HB2 PRO 11 HB2 PRO 11 7.114 -3.852 0.664
80 HB3 PRO 11 HB1 PRO 11 8.884 -3.723 0.694
81 HG2 PRO 11 HG2 PRO 11 7.416 -1.558 0.451
82 HG3 PRO 11 HG1 PRO 11 8.901 -1.752 -0.505
83 HD2 PRO 11 HD2 PRO 11 6.054 -2.063 -1.362
84 HD3 PRO 11 HD1 PRO 11 7.420 -1.331 -2.223
85 H GLY 12 HN GLY 12 5.635 -4.928 -1.626
86 HA2 GLY 12 HA2 GLY 12 5.261 -7.452 -2.176
87 HA3 GLY 12 HA1 GLY 12 5.818 -7.642 -0.522
88 H PHE 13 HN PHE 13 4.558 -6.535 1.170
89 HA PHE 13 HA PHE 13 1.707 -6.841 0.627
90 HB2 PHE 13 HB2 PHE 13 3.279 -6.619 3.195
91 HB3 PHE 13 HB1 PHE 13 1.521 -6.669 3.146
92 HD1 PHE 13 HD1 PHE 13 0.349 -8.708 2.578
93 HD2 PHE 13 HD2 PHE 13 4.602 -8.580 2.687
94 HE1 PHE 13 HE1 PHE 13 0.419 -11.167 2.573
95 HE2 PHE 13 HE2 PHE 13 4.680 -11.039 2.682
96 HZ PHE 13 HZ PHE 13 2.587 -12.335 2.623
97 H SER 14 HN SER 14 0.146 -5.322 1.182
98 HA SER 14 HA SER 14 1.049 -2.586 1.745
99 HB2 SER 14 HB2 SER 14 0.693 -2.848 -0.715
100 HB3 SER 14 HB1 SER 14 -0.984 -3.283 -0.393
101 HG SER 14 HG SER 14 -1.190 -1.177 -0.644
102 HA PRO 15 HA PRO 15 -2.494 -3.737 4.519
103 HB2 PRO 15 HB2 PRO 15 -1.098 -2.262 6.605
104 HB3 PRO 15 HB1 PRO 15 -1.523 -3.982 6.558
105 HG2 PRO 15 HG2 PRO 15 1.022 -3.119 6.427
106 HG3 PRO 15 HG1 PRO 15 0.461 -4.597 5.620
107 HD2 PRO 15 HD2 PRO 15 0.922 -1.869 4.436
108 HD3 PRO 15 HD1 PRO 15 1.367 -3.466 3.790
109 H LEU 16 HN LEU 16 -0.894 -0.669 4.046
110 HA LEU 16 HA LEU 16 -3.475 0.706 4.307
111 HB2 LEU 16 HB2 LEU 16 -0.886 1.585 5.590
112 HB3 LEU 16 HB1 LEU 16 -2.284 2.626 5.412
113 HG LEU 16 HG LEU 16 -2.620 0.021 6.837
114 HD11 LEU 16 HD11 LEU 16 -0.602 0.942 7.826
115 HD12 LEU 16 HD12 LEU 16 -1.957 1.080 8.946
116 HD13 LEU 16 HD13 LEU 16 -1.402 2.497 8.053
117 HD21 LEU 16 HD21 LEU 16 -4.571 1.421 6.381
118 HD22 LEU 16 HD22 LEU 16 -3.803 2.774 7.211
119 HD23 LEU 16 HD23 LEU 16 -4.251 1.327 8.113
Start of MODEL 19
1 H CYS 1 HN CYS 1 -4.210 2.081 -0.433
2 HA CYS 1 HA CYS 1 -1.747 3.627 -0.531
3 HB2 CYS 1 HB2 CYS 1 -3.500 3.204 -2.877
4 HB3 CYS 1 HB1 CYS 1 -3.018 4.870 -2.573
5 H PHE 2 HN PHE 2 -1.951 5.448 0.566
6 HA PHE 2 HA PHE 2 -4.572 6.220 1.569
7 HB2 PHE 2 HB2 PHE 2 -1.760 7.045 2.304
8 HB3 PHE 2 HB1 PHE 2 -3.187 7.796 3.009
9 HD1 PHE 2 HD1 PHE 2 -4.586 6.586 4.571
10 HD2 PHE 2 HD2 PHE 2 -1.131 4.780 2.865
11 HE1 PHE 2 HE1 PHE 2 -4.679 4.810 6.271
12 HE2 PHE 2 HE2 PHE 2 -1.219 2.999 4.561
13 HZ PHE 2 HZ PHE 2 -2.996 3.013 6.267
14 HA PRO 3 HA PRO 3 -5.004 9.847 -1.020
15 HB2 PRO 3 HB2 PRO 3 -5.919 11.545 1.186
16 HB3 PRO 3 HB1 PRO 3 -6.844 10.893 -0.178
17 HG2 PRO 3 HG2 PRO 3 -7.238 10.056 2.336
18 HG3 PRO 3 HG1 PRO 3 -7.415 8.979 0.935
19 HD2 PRO 3 HD2 PRO 3 -5.112 9.230 2.835
20 HD3 PRO 3 HD1 PRO 3 -5.885 7.770 2.186
21 H ASP 4 HN ASP 4 -2.640 9.757 1.261
22 HA ASP 4 HA ASP 4 -1.802 12.535 1.117
23 HB2 ASP 4 HB2 ASP 4 -1.582 10.883 3.144
24 HB3 ASP 4 HB1 ASP 4 -0.122 10.360 2.312
25 H GLY 5 HN GLY 5 -1.149 9.543 -0.473
26 HA2 GLY 5 HA2 GLY 5 -0.141 9.739 -2.709
27 HA3 GLY 5 HA1 GLY 5 1.030 10.835 -1.996
28 H ARG 6 HN ARG 6 1.186 9.010 0.424
29 HA ARG 6 HA ARG 6 3.175 7.192 -0.714
30 HB2 ARG 6 HB2 ARG 6 2.676 8.199 2.081
31 HB3 ARG 6 HB1 ARG 6 3.787 6.878 1.750
32 HG2 ARG 6 HG2 ARG 6 5.086 8.368 0.279
33 HG3 ARG 6 HG1 ARG 6 3.994 9.691 0.691
34 HD2 ARG 6 HD2 ARG 6 5.529 8.144 2.766
35 HD3 ARG 6 HD1 ARG 6 6.182 9.576 1.973
36 HE ARG 6 HE ARG 6 3.656 10.209 3.002
37 HH11 ARG 6 HH11 ARG 6 6.860 9.425 4.207
38 HH12 ARG 6 HH12 ARG 6 6.656 10.329 5.671
39 HH21 ARG 6 HH21 ARG 6 3.411 11.387 4.925
40 HH22 ARG 6 HH22 ARG 6 4.705 11.437 6.075
41 H CYS 7 HN CYS 7 3.153 5.013 -0.467
42 HA CYS 7 HA CYS 7 0.970 3.730 0.999
43 HB2 CYS 7 HB2 CYS 7 1.721 2.721 -1.734
44 HB3 CYS 7 HB1 CYS 7 0.243 2.440 -0.822
45 H LYS 8 HN LYS 8 1.528 1.833 1.977
46 HA LYS 8 HA LYS 8 4.018 0.495 1.271
47 HB2 LYS 8 HB2 LYS 8 3.549 1.823 3.936
48 HB3 LYS 8 HB1 LYS 8 4.655 0.467 3.768
49 HG2 LYS 8 HG2 LYS 8 5.975 1.736 2.154
50 HG3 LYS 8 HG1 LYS 8 4.861 3.097 2.313
51 HD2 LYS 8 HD2 LYS 8 5.424 3.269 4.693
52 HD3 LYS 8 HD1 LYS 8 6.548 1.919 4.522
53 HE2 LYS 8 HE2 LYS 8 7.858 3.219 2.916
54 HE3 LYS 8 HE1 LYS 8 6.734 4.566 3.086
55 HZ1 LYS 8 HZ1 LYS 8 8.419 3.438 5.256
56 HZ2 LYS 8 HZ2 LYS 8 7.341 4.732 5.418
57 HZ3 LYS 8 HZ3 LYS 8 8.708 4.889 4.434
58 H ARG 9 HN ARG 9 3.469 -1.543 1.045
59 HA ARG 9 HA ARG 9 2.086 -2.949 3.174
60 HB2 ARG 9 HB2 ARG 9 0.756 -2.218 0.719
61 HB3 ARG 9 HB1 ARG 9 0.883 -3.969 0.833
62 HG2 ARG 9 HG2 ARG 9 -0.096 -3.791 3.137
63 HG3 ARG 9 HG1 ARG 9 -0.409 -2.089 2.792
64 HD2 ARG 9 HD2 ARG 9 -2.417 -3.262 2.326
65 HD3 ARG 9 HD1 ARG 9 -1.701 -2.847 0.770
66 HE ARG 9 HE ARG 9 -0.772 -5.358 1.287
67 HH11 ARG 9 HH11 ARG 9 -3.994 -3.972 1.096
68 HH12 ARG 9 HH12 ARG 9 -4.722 -5.452 0.569
69 HH21 ARG 9 HH21 ARG 9 -1.748 -7.282 0.596
70 HH22 ARG 9 HH22 ARG 9 -3.452 -7.324 0.286
71 HA PRO 10 HA PRO 10 4.919 -6.183 1.959
72 HB2 PRO 10 HB2 PRO 10 2.981 -8.314 2.510
73 HB3 PRO 10 HB1 PRO 10 4.452 -7.890 3.402
74 HG2 PRO 10 HG2 PRO 10 2.007 -7.498 4.426
75 HG3 PRO 10 HG1 PRO 10 3.372 -6.418 4.774
76 HD2 PRO 10 HD2 PRO 10 1.113 -6.033 2.847
77 HD3 PRO 10 HD1 PRO 10 1.842 -4.875 3.979
78 HA PRO 11 HA PRO 11 3.900 -7.617 -2.158
79 HB2 PRO 11 HB2 PRO 11 5.606 -9.970 -1.988
80 HB3 PRO 11 HB1 PRO 11 5.898 -8.453 -2.855
81 HG2 PRO 11 HG2 PRO 11 7.340 -9.212 -0.700
82 HG3 PRO 11 HG1 PRO 11 7.039 -7.515 -1.124
83 HD2 PRO 11 HD2 PRO 11 5.674 -9.215 0.930
84 HD3 PRO 11 HD1 PRO 11 6.216 -7.527 1.038
85 H GLY 12 HN GLY 12 1.990 -8.466 -2.643
86 HA2 GLY 12 HA2 GLY 12 1.523 -11.295 -2.425
87 HA3 GLY 12 HA1 GLY 12 0.511 -10.346 -1.345
88 H PHE 13 HN PHE 13 -1.277 -9.407 -2.115
89 HA PHE 13 HA PHE 13 -1.649 -9.010 -4.979
90 HB2 PHE 13 HB2 PHE 13 -3.403 -10.831 -3.321
91 HB3 PHE 13 HB1 PHE 13 -3.915 -10.149 -4.860
92 HD1 PHE 13 HD1 PHE 13 -2.828 -10.845 -6.949
93 HD2 PHE 13 HD2 PHE 13 -1.837 -12.630 -3.214
94 HE1 PHE 13 HE1 PHE 13 -1.761 -12.719 -8.131
95 HE2 PHE 13 HE2 PHE 13 -0.766 -14.506 -4.390
96 HZ PHE 13 HZ PHE 13 -0.727 -14.553 -6.853
97 H SER 14 HN SER 14 -2.669 -7.163 -5.372
98 HA SER 14 HA SER 14 -3.815 -5.228 -5.146
99 HB2 SER 14 HB2 SER 14 -5.506 -6.810 -3.198
100 HB3 SER 14 HB1 SER 14 -5.938 -5.240 -3.875
101 HG SER 14 HG SER 14 -6.041 -6.163 -5.901
102 HA PRO 15 HA PRO 15 -1.594 -3.857 -1.335
103 HB2 PRO 15 HB2 PRO 15 -0.301 -1.735 -2.386
104 HB3 PRO 15 HB1 PRO 15 0.281 -3.394 -2.620
105 HG2 PRO 15 HG2 PRO 15 -1.226 -1.640 -4.493
106 HG3 PRO 15 HG1 PRO 15 0.132 -2.738 -4.815
107 HD2 PRO 15 HD2 PRO 15 -2.501 -3.382 -5.307
108 HD3 PRO 15 HD1 PRO 15 -1.228 -4.579 -5.001
109 H LEU 16 HN LEU 16 -1.444 -1.485 -0.381
110 HA LEU 16 HA LEU 16 -4.088 -0.228 -0.744
111 HB2 LEU 16 HB2 LEU 16 -3.485 -1.402 1.476
112 HB3 LEU 16 HB1 LEU 16 -2.427 -0.034 1.759
113 HG LEU 16 HG LEU 16 -4.635 1.352 1.314
114 HD11 LEU 16 HD11 LEU 16 -5.705 -1.292 2.290
115 HD12 LEU 16 HD12 LEU 16 -6.019 -0.563 0.716
116 HD13 LEU 16 HD13 LEU 16 -6.615 0.215 2.182
117 HD21 LEU 16 HD21 LEU 16 -4.061 -0.117 3.883
118 HD22 LEU 16 HD22 LEU 16 -5.063 1.325 3.727
119 HD23 LEU 16 HD23 LEU 16 -3.339 1.407 3.367
Start of MODEL 20
1 H CYS 1 HN CYS 1 -3.980 2.007 -0.800
2 HA CYS 1 HA CYS 1 -1.446 3.440 -0.769
3 HB2 CYS 1 HB2 CYS 1 -2.403 2.425 -3.193
4 HB3 CYS 1 HB1 CYS 1 -2.871 4.121 -3.207
5 H PHE 2 HN PHE 2 -1.760 5.259 0.263
6 HA PHE 2 HA PHE 2 -4.436 6.476 0.250
7 HB2 PHE 2 HB2 PHE 2 -2.211 6.596 2.283
8 HB3 PHE 2 HB1 PHE 2 -3.619 7.649 2.347
9 HD1 PHE 2 HD1 PHE 2 -5.803 6.776 2.927
10 HD2 PHE 2 HD2 PHE 2 -2.389 4.238 2.781
11 HE1 PHE 2 HE1 PHE 2 -7.044 5.043 4.155
12 HE2 PHE 2 HE2 PHE 2 -3.625 2.500 4.008
13 HZ PHE 2 HZ PHE 2 -5.955 2.902 4.697
14 HA PRO 3 HA PRO 3 -2.478 9.864 -2.008
15 HB2 PRO 3 HB2 PRO 3 -4.835 11.511 -1.574
16 HB3 PRO 3 HB1 PRO 3 -4.276 10.756 -3.076
17 HG2 PRO 3 HG2 PRO 3 -6.527 9.985 -1.802
18 HG3 PRO 3 HG1 PRO 3 -5.531 8.881 -2.770
19 HD2 PRO 3 HD2 PRO 3 -5.624 9.214 0.204
20 HD3 PRO 3 HD1 PRO 3 -5.553 7.730 -0.769
21 H ASP 4 HN ASP 4 -3.996 10.359 1.090
22 HA ASP 4 HA ASP 4 -2.498 12.836 1.537
23 HB2 ASP 4 HB2 ASP 4 -4.804 11.579 3.020
24 HB3 ASP 4 HB1 ASP 4 -3.923 12.976 3.632
25 H GLY 5 HN GLY 5 -2.667 9.528 2.530
26 HA2 GLY 5 HA2 GLY 5 -0.782 9.977 4.739
27 HA3 GLY 5 HA1 GLY 5 -1.698 8.505 4.454
28 H ARG 6 HN ARG 6 0.005 7.101 4.474
29 HA ARG 6 HA ARG 6 2.090 7.476 2.427
30 HB2 ARG 6 HB2 ARG 6 2.098 5.982 5.046
31 HB3 ARG 6 HB1 ARG 6 3.315 5.696 3.810
32 HG2 ARG 6 HG2 ARG 6 3.968 8.057 3.919
33 HG3 ARG 6 HG1 ARG 6 2.765 8.320 5.183
34 HD2 ARG 6 HD2 ARG 6 3.914 6.709 6.616
35 HD3 ARG 6 HD1 ARG 6 5.107 6.426 5.350
36 HE ARG 6 HE ARG 6 4.992 9.177 5.992
37 HH11 ARG 6 HH11 ARG 6 6.200 6.143 7.284
38 HH12 ARG 6 HH12 ARG 6 7.464 6.902 8.194
39 HH21 ARG 6 HH21 ARG 6 6.654 10.148 7.190
40 HH22 ARG 6 HH22 ARG 6 7.720 9.167 8.139
41 H CYS 7 HN CYS 7 2.783 5.624 1.217
42 HA CYS 7 HA CYS 7 0.963 3.347 1.138
43 HB2 CYS 7 HB2 CYS 7 0.181 4.926 -0.573
44 HB3 CYS 7 HB1 CYS 7 1.800 5.011 -1.253
45 H LYS 8 HN LYS 8 1.813 1.458 0.303
46 HA LYS 8 HA LYS 8 4.655 1.369 -0.407
47 HB2 LYS 8 HB2 LYS 8 3.346 -0.174 1.842
48 HB3 LYS 8 HB1 LYS 8 4.851 -0.695 1.100
49 HG2 LYS 8 HG2 LYS 8 5.912 1.402 1.763
50 HG3 LYS 8 HG1 LYS 8 4.398 1.935 2.498
51 HD2 LYS 8 HD2 LYS 8 4.485 0.038 4.047
52 HD3 LYS 8 HD1 LYS 8 5.997 -0.494 3.311
53 HE2 LYS 8 HE2 LYS 8 5.655 2.227 4.552
54 HE3 LYS 8 HE1 LYS 8 6.186 0.821 5.473
55 HZ1 LYS 8 HZ1 LYS 8 8.062 2.125 4.697
56 HZ2 LYS 8 HZ2 LYS 8 7.559 1.949 3.092
57 HZ3 LYS 8 HZ3 LYS 8 8.070 0.597 3.970
58 H ARG 9 HN ARG 9 5.148 -1.145 -0.949
59 HA ARG 9 HA ARG 9 2.859 -2.323 -2.344
60 HB2 ARG 9 HB2 ARG 9 5.466 -1.528 -3.642
61 HB3 ARG 9 HB1 ARG 9 4.411 -2.748 -4.341
62 HG2 ARG 9 HG2 ARG 9 2.608 -1.102 -4.491
63 HG3 ARG 9 HG1 ARG 9 3.672 0.122 -3.794
64 HD2 ARG 9 HD2 ARG 9 5.198 -0.129 -5.691
65 HD3 ARG 9 HD1 ARG 9 4.136 -1.355 -6.384
66 HE ARG 9 HE ARG 9 2.610 0.937 -5.977
67 HH11 ARG 9 HH11 ARG 9 5.331 -0.028 -7.979
68 HH12 ARG 9 HH12 ARG 9 4.939 1.086 -9.247
69 HH21 ARG 9 HH21 ARG 9 2.117 2.385 -7.651
70 HH22 ARG 9 HH22 ARG 9 3.122 2.449 -9.060
71 HA PRO 10 HA PRO 10 5.539 -5.562 -0.310
72 HB2 PRO 10 HB2 PRO 10 3.480 -6.201 1.579
73 HB3 PRO 10 HB1 PRO 10 5.024 -5.397 1.905
74 HG2 PRO 10 HG2 PRO 10 2.556 -4.209 2.168
75 HG3 PRO 10 HG1 PRO 10 4.088 -3.341 1.956
76 HD2 PRO 10 HD2 PRO 10 1.993 -3.993 -0.075
77 HD3 PRO 10 HD1 PRO 10 2.961 -2.515 0.117
78 HA PRO 11 HA PRO 11 3.379 -8.964 -2.288
79 HB2 PRO 11 HB2 PRO 11 4.195 -10.943 -0.292
80 HB3 PRO 11 HB1 PRO 11 4.762 -10.749 -1.960
81 HG2 PRO 11 HG2 PRO 11 6.336 -10.246 0.159
82 HG3 PRO 11 HG1 PRO 11 6.472 -9.356 -1.371
83 HD2 PRO 11 HD2 PRO 11 5.133 -8.525 1.177
84 HD3 PRO 11 HD1 PRO 11 6.177 -7.584 0.091
85 H GLY 12 HN GLY 12 1.229 -9.046 -2.237
86 HA2 GLY 12 HA2 GLY 12 -0.186 -10.596 -0.325
87 HA3 GLY 12 HA1 GLY 12 -0.427 -8.887 -0.007
88 H PHE 13 HN PHE 13 0.082 -9.663 -3.295
89 HA PHE 13 HA PHE 13 -1.183 -9.782 -5.164
90 HB2 PHE 13 HB2 PHE 13 -3.398 -10.617 -3.285
91 HB3 PHE 13 HB1 PHE 13 -3.560 -10.580 -5.036
92 HD1 PHE 13 HD1 PHE 13 -2.023 -12.283 -2.190
93 HD2 PHE 13 HD2 PHE 13 -2.451 -12.215 -6.423
94 HE1 PHE 13 HE1 PHE 13 -1.099 -14.560 -2.316
95 HE2 PHE 13 HE2 PHE 13 -1.528 -14.492 -6.557
96 HZ PHE 13 HZ PHE 13 -0.851 -15.667 -4.502
97 H SER 14 HN SER 14 -2.973 -8.121 -2.560
98 HA SER 14 HA SER 14 -3.483 -5.922 -4.439
99 HB2 SER 14 HB2 SER 14 -5.481 -7.055 -2.471
100 HB3 SER 14 HB1 SER 14 -5.729 -5.611 -3.451
101 HG SER 14 HG SER 14 -6.482 -6.977 -4.858
102 HA PRO 15 HA PRO 15 -1.621 -4.086 -0.634
103 HB2 PRO 15 HB2 PRO 15 -0.124 -2.174 -1.801
104 HB3 PRO 15 HB1 PRO 15 0.389 -3.872 -1.778
105 HG2 PRO 15 HG2 PRO 15 -0.834 -2.299 -3.988
106 HG3 PRO 15 HG1 PRO 15 0.477 -3.495 -4.041
107 HD2 PRO 15 HD2 PRO 15 -2.148 -4.053 -4.698
108 HD3 PRO 15 HD1 PRO 15 -0.972 -5.268 -4.164
109 H LEU 16 HN LEU 16 -1.443 -1.642 0.034
110 HA LEU 16 HA LEU 16 -3.954 -0.305 -0.744
111 HB2 LEU 16 HB2 LEU 16 -2.499 -0.378 1.896
112 HB3 LEU 16 HB1 LEU 16 -3.765 0.782 1.549
113 HG LEU 16 HG LEU 16 -4.375 -2.121 1.197
114 HD11 LEU 16 HD11 LEU 16 -4.987 -2.298 3.562
115 HD12 LEU 16 HD12 LEU 16 -4.277 -0.711 3.859
116 HD13 LEU 16 HD13 LEU 16 -3.252 -2.054 3.351
117 HD21 LEU 16 HD21 LEU 16 -6.588 -1.386 1.945
118 HD22 LEU 16 HD22 LEU 16 -6.031 -0.442 0.564
119 HD23 LEU 16 HD23 LEU 16 -5.965 0.247 2.187