Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
625465 | 6ceg RC | 30405 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 HT1 CYS 1 -9.508 -5.745 -1.577
2 H2 CYS 1 HT2 CYS 1 -9.801 -5.808 0.084
3 H3 CYS 1 HT3 CYS 1 -8.935 -7.048 -0.679
4 HA CYS 1 HA CYS 1 -8.093 -4.239 -0.463
5 HB2 CYS 1 HB2 CYS 1 -6.293 -5.180 0.967
6 HB3 CYS 1 HB1 CYS 1 -7.883 -5.231 1.698
7 H LYS 2 H LYS 2 -5.943 -3.938 -1.091
8 HA LYS 2 HA LYS 2 -5.346 -5.385 -3.511
9 HB2 LYS 2 HB2 LYS 2 -4.099 -2.972 -2.240
10 HB3 LYS 2 HB1 LYS 2 -3.505 -3.705 -3.718
11 HG2 LYS 2 HG2 LYS 2 -5.600 -3.268 -4.821
12 HG3 LYS 2 HG1 LYS 2 -6.269 -2.601 -3.326
13 HD2 LYS 2 HD2 LYS 2 -4.703 -0.818 -3.338
14 HD3 LYS 2 HD1 LYS 2 -3.797 -1.549 -4.656
15 HE2 LYS 2 HE2 LYS 2 -5.134 0.308 -5.452
16 HE3 LYS 2 HE1 LYS 2 -5.688 -1.209 -6.146
17 HZ1 LYS 2 HZ1 LYS 2 -6.892 0.080 -3.794
18 HZ2 LYS 2 HZ2 LYS 2 -7.546 -1.229 -4.661
19 HZ3 LYS 2 HZ3 LYS 2 -7.454 0.317 -5.364
20 HA PRO 3 HA PRO 3 -2.335 -8.135 -1.639
21 HB2 PRO 3 HB2 PRO 3 -1.221 -8.284 -4.375
22 HB3 PRO 3 HB1 PRO 3 -1.859 -9.576 -3.360
23 HG2 PRO 3 HG2 PRO 3 -3.209 -8.692 -5.493
24 HG3 PRO 3 HG1 PRO 3 -4.031 -9.193 -4.005
25 HD2 PRO 3 HD2 PRO 3 -3.467 -6.437 -5.018
26 HD3 PRO 3 HD1 PRO 3 -4.911 -7.105 -4.221
27 HA HYP 4 HA HYP 4 1.378 -5.759 -0.948
28 HB2 HYP 4 HB1 HYP 4 3.014 -7.206 -0.130
29 HB3 HYP 4 HB2 HYP 4 2.758 -8.381 -1.433
30 HG HYP 4 HG HYP 4 1.627 -9.297 0.490
31 HD22 HYP 4 HD11 HYP 4 -0.843 -8.535 -0.258
32 HD23 HYP 4 HD12 HYP 4 0.159 -9.441 -1.417
33 HD1 HYP 4 HD2 HYP 4 1.589 -6.972 1.341
34 H GLY 5 H GLY 5 2.643 -4.551 -2.192
35 HA2 GLY 5 HA2 GLY 5 4.131 -4.098 -3.912
36 HA3 GLY 5 HA1 GLY 5 3.648 -5.594 -4.692
37 H SER 6 H SER 6 0.764 -4.609 -4.149
38 HA SER 6 HA SER 6 0.366 -3.469 -6.706
39 HB2 SER 6 HB2 SER 6 -1.411 -4.624 -5.895
40 HB3 SER 6 HB1 SER 6 -1.493 -3.720 -4.333
41 HG SER 6 HG SER 6 -2.351 -1.996 -5.619
42 H LYS 7 H LYS 7 -0.848 -1.643 -6.858
43 HA LYS 7 HA LYS 7 0.645 0.616 -5.642
44 HB2 LYS 7 HB2 LYS 7 0.511 0.596 -8.140
45 HB3 LYS 7 HB1 LYS 7 -1.240 0.672 -8.035
46 HG2 LYS 7 HG2 LYS 7 -1.081 2.864 -6.973
47 HG3 LYS 7 HG1 LYS 7 0.676 2.783 -7.075
48 HD2 LYS 7 HD2 LYS 7 0.530 2.667 -9.514
49 HD3 LYS 7 HD1 LYS 7 -1.229 2.750 -9.418
50 HE2 LYS 7 HE2 LYS 7 -1.123 4.948 -8.429
51 HE3 LYS 7 HE1 LYS 7 0.634 4.866 -8.359
52 HZ1 LYS 7 HZ1 LYS 7 -0.998 4.881 -10.832
53 HZ2 LYS 7 HZ2 LYS 7 0.696 4.838 -10.764
54 HZ3 LYS 7 HZ3 LYS 7 -0.125 6.183 -10.215
55 H CYS 8 H CYS 8 -0.469 2.129 -4.379
56 HA CYS 8 HA CYS 8 -3.342 1.618 -4.001
57 HB2 CYS 8 HB2 CYS 8 -2.936 1.714 -1.563
58 HB3 CYS 8 HB1 CYS 8 -2.422 0.234 -2.364
59 H SER 9 H SER 9 -4.227 3.134 -2.266
60 HA SER 9 HA SER 9 -3.216 5.744 -2.763
61 HB2 SER 9 HB2 SER 9 -5.471 6.188 -1.661
62 HB3 SER 9 HB1 SER 9 -5.365 5.717 -3.381
63 HG SER 9 HG SER 9 -5.699 3.638 -1.452
64 HA HYP 10 HA HYP 10 -1.063 5.569 1.050
65 HB2 HYP 10 HB1 HYP 10 0.125 7.468 0.845
66 HB3 HYP 10 HB2 HYP 10 -1.262 8.447 1.329
67 HG HYP 10 HG HYP 10 -1.005 9.055 -0.982
68 HD22 HYP 10 HD11 HYP 10 -2.721 7.458 -2.099
69 HD23 HYP 10 HD12 HYP 10 -3.244 8.194 -0.560
70 HD1 HYP 10 HD2 HYP 10 -0.967 6.630 -1.998
71 H SER 11 H SER 11 -4.009 7.649 1.210
72 HA SER 11 HA SER 11 -3.928 7.266 4.094
73 HB2 SER 11 HB2 SER 11 -5.623 9.156 2.451
74 HB3 SER 11 HB1 SER 11 -5.528 9.107 4.209
75 HG SER 11 HG SER 11 -3.617 10.016 4.169
76 H MET 12 H MET 12 -5.260 5.710 1.504
77 HA MET 12 HA MET 12 -7.730 5.105 2.850
78 HB2 MET 12 HB2 MET 12 -6.573 4.213 0.232
79 HB3 MET 12 HB1 MET 12 -8.076 3.572 0.885
80 HG2 MET 12 HG2 MET 12 -7.551 6.470 0.383
81 HG3 MET 12 HG1 MET 12 -8.333 5.396 -0.768
82 HE1 MET 12 HE1 MET 12 -9.648 8.119 0.303
83 HE2 MET 12 HE2 MET 12 -11.309 7.597 0.585
84 HE3 MET 12 3HE MET 12 -10.442 7.040 -0.844
85 H ARG 13 H ARG 13 -4.676 3.763 2.324
86 HA ARG 13 HA ARG 13 -3.606 1.817 2.956
87 HB2 ARG 13 HB2 ARG 13 -3.975 2.942 5.066
88 HB3 ARG 13 HB1 ARG 13 -5.569 2.230 5.185
89 HG2 ARG 13 HG2 ARG 13 -4.513 0.011 5.482
90 HG3 ARG 13 HG1 ARG 13 -2.923 0.747 5.294
91 HD2 ARG 13 HD2 ARG 13 -4.903 1.342 7.490
92 HD3 ARG 13 HD1 ARG 13 -3.446 0.357 7.646
93 HE ARG 13 HE ARG 13 -3.042 3.046 6.694
94 HH11 ARG 13 HH11 ARG 13 -3.225 0.993 9.577
95 HH12 ARG 13 HH12 ARG 13 -2.251 2.020 10.520
96 HH21 ARG 13 HH21 ARG 13 -1.726 4.457 8.009
97 HH22 ARG 13 HH22 ARG 13 -1.389 4.018 9.626
98 H ASP 14 H ASP 14 -5.443 1.440 1.058
99 HA ASP 14 HA ASP 14 -7.387 -0.553 1.689
100 HB2 ASP 14 HB2 ASP 14 -7.917 -0.351 -0.736
101 HB3 ASP 14 HB1 ASP 14 -8.011 1.154 0.157
102 H CYS 15 H CYS 15 -4.368 -1.006 1.661
103 HA CYS 15 HA CYS 15 -4.197 -3.306 -0.123
104 HB2 CYS 15 HB2 CYS 15 -2.182 -2.259 1.862
105 HB3 CYS 15 HB1 CYS 15 -1.913 -3.525 0.697
106 H CYS 16 H CYS 16 -3.614 -5.391 0.753
107 HA CYS 16 HA CYS 16 -5.243 -6.130 2.916
108 HB2 CYS 16 HB2 CYS 16 -3.003 -7.590 1.558
109 HB3 CYS 16 HB1 CYS 16 -4.145 -8.319 2.675
110 H THR 17 H THR 17 -1.939 -5.197 2.712
111 HA THR 17 HA THR 17 -1.612 -5.767 5.552
112 HB THR 17 HB THR 17 0.796 -5.081 5.067
113 HG1 THR 17 HG1 THR 17 1.416 -5.113 2.869
114 HG21 THR 17 HG21 THR 17 -0.335 -7.497 3.620
115 HG22 THR 17 HG22 THR 17 0.124 -7.443 5.321
116 HG23 THR 17 HG23 THR 17 1.358 -7.281 4.070
117 H THR 18 H THR 18 -0.183 -3.306 3.596
118 HA THR 18 HA THR 18 -1.351 -1.068 5.053
119 HB THR 18 HB THR 18 1.613 -1.754 5.072
120 HG1 THR 18 HG1 THR 18 -0.400 -2.062 6.992
121 HG21 THR 18 HG21 THR 18 1.925 0.120 6.535
122 HG22 THR 18 HG22 THR 18 0.198 0.483 6.517
123 HG23 THR 18 HG23 THR 18 1.168 0.675 5.043
124 H CYS 19 H CYS 19 -0.741 0.948 3.828
125 HA CYS 19 HA CYS 19 0.310 0.394 1.134
126 HB2 CYS 19 HB2 CYS 19 -1.950 1.219 1.108
127 HB3 CYS 19 HB1 CYS 19 -1.534 2.579 2.158
128 H ILE 20 H ILE 20 2.293 1.061 0.900
129 HA ILE 20 HA ILE 20 3.653 2.643 2.835
130 HB ILE 20 HB ILE 20 4.552 1.965 0.009
131 HG12 ILE 20 HG12 ILE 20 4.861 0.395 2.582
132 HG13 ILE 20 HG11 ILE 20 3.926 -0.061 1.183
133 HG21 ILE 20 HG21 ILE 20 6.126 2.661 2.495
134 HG22 ILE 20 HG22 ILE 20 5.874 3.719 1.108
135 HG23 ILE 20 HG23 ILE 20 6.816 2.235 0.927
136 HD11 ILE 20 HD11 ILE 20 6.924 0.220 1.209
137 HD12 ILE 20 HD12 ILE 20 5.938 -0.293 -0.162
138 HD13 ILE 20 HD13 ILE 20 6.032 -1.299 1.283
139 H SER 21 H SER 21 3.338 4.760 3.023
140 HA SER 21 HA SER 21 1.876 6.255 1.145
141 HB2 SER 21 HB2 SER 21 3.497 7.217 3.496
142 HB3 SER 21 HB1 SER 21 2.211 8.108 2.679
143 HG SER 21 HG SER 21 1.352 5.649 3.366
144 H TYR 22 H TYR 22 5.209 5.650 1.382
145 HA TYR 22 HA TYR 22 6.092 7.975 -0.110
146 HB2 TYR 22 HB2 TYR 22 7.436 6.828 1.643
147 HB3 TYR 22 HB1 TYR 22 7.509 5.434 0.613
148 HD1 TYR 22 HD1 TYR 22 8.230 9.098 0.161
149 HD2 TYR 22 HD2 TYR 22 9.502 5.080 -0.438
150 HE1 TYR 22 HE1 TYR 22 10.286 9.905 -0.903
151 HE2 TYR 22 HE2 TYR 22 11.542 5.873 -1.501
152 HH TYR 22 HH TYR 22 12.377 7.871 -2.663
153 H THR 23 H THR 23 5.992 4.533 -0.623
154 HA THR 23 HA THR 23 6.814 4.770 -3.384
155 HB THR 23 HB THR 23 6.056 2.217 -1.973
156 HG1 THR 23 HG1 THR 23 8.562 3.592 -1.925
157 HG21 THR 23 HG21 THR 23 7.782 1.256 -3.425
158 HG22 THR 23 HG22 THR 23 8.162 2.851 -4.067
159 HG23 THR 23 HG23 THR 23 6.599 2.113 -4.411
160 H LYS 24 H LYS 24 3.844 4.672 -1.735
161 HA LYS 24 HA LYS 24 1.725 4.374 -2.209
162 HB2 LYS 24 HB2 LYS 24 2.401 4.644 -5.149
163 HB3 LYS 24 HB1 LYS 24 0.853 4.716 -4.413
164 HG2 LYS 24 HG2 LYS 24 1.441 6.975 -4.984
165 HG3 LYS 24 HG1 LYS 24 1.397 6.811 -3.238
166 HD2 LYS 24 HD2 LYS 24 3.275 8.192 -3.923
167 HD3 LYS 24 HD1 LYS 24 3.861 6.689 -3.211
168 HE2 LYS 24 HE2 LYS 24 4.205 5.789 -5.493
169 HE3 LYS 24 HE1 LYS 24 3.677 7.338 -6.156
170 HZ1 LYS 24 HZ1 LYS 24 5.577 8.404 -5.255
171 HZ2 LYS 24 HZ2 LYS 24 6.154 6.975 -5.965
172 HZ3 LYS 24 HZ3 LYS 24 5.958 7.077 -4.298
173 H ARG 25 H ARG 25 3.266 2.091 -1.910
174 HA ARG 25 HA ARG 25 1.820 0.261 -3.658
175 HB2 ARG 25 HB2 ARG 25 4.676 -0.087 -2.794
176 HB3 ARG 25 HB1 ARG 25 3.736 -1.298 -3.629
177 HG2 ARG 25 HG2 ARG 25 4.622 1.368 -4.731
178 HG3 ARG 25 HG1 ARG 25 5.220 -0.230 -5.201
179 HD2 ARG 25 HD2 ARG 25 2.766 -0.722 -5.849
180 HD3 ARG 25 HD1 ARG 25 2.551 0.999 -5.644
181 HE ARG 25 HE ARG 25 4.224 1.366 -7.349
182 HH11 ARG 25 HH11 ARG 25 2.701 -1.837 -7.257
183 HH12 ARG 25 HH12 ARG 25 2.763 -2.086 -8.928
184 HH21 ARG 25 HH21 ARG 25 4.365 0.985 -9.681
185 HH22 ARG 25 HH22 ARG 25 3.773 -0.457 -10.343
186 H CYS 26 H CYS 26 1.672 -1.880 -2.755
187 HA CYS 26 HA CYS 26 0.828 -1.629 -0.034
188 HB2 CYS 26 HB2 CYS 26 0.673 -3.955 -1.939
189 HB3 CYS 26 HB1 CYS 26 -0.055 -3.918 -0.334
190 H ARG 27 H ARG 27 1.755 -2.287 1.627
191 HA ARG 27 HA ARG 27 4.481 -2.754 1.811
192 HB2 ARG 27 HB2 ARG 27 2.962 -1.768 3.533
193 HB3 ARG 27 HB1 ARG 27 2.343 -3.367 3.824
194 HG2 ARG 27 HG2 ARG 27 4.529 -4.159 4.493
195 HG3 ARG 27 HG1 ARG 27 5.202 -2.548 4.255
196 HD2 ARG 27 HD2 ARG 27 3.940 -1.700 6.076
197 HD3 ARG 27 HD1 ARG 27 2.975 -3.182 6.173
198 HE ARG 27 HE ARG 27 5.449 -4.096 6.457
199 HH11 ARG 27 HH11 ARG 27 3.831 -1.432 8.189
200 HH12 ARG 27 HH12 ARG 27 4.633 -1.752 9.642
201 HH21 ARG 27 HH21 ARG 27 6.450 -4.556 8.445
202 HH22 ARG 27 HH22 ARG 27 6.171 -3.580 9.817
203 H LYS 28 H LYS 28 5.595 -4.553 2.661
204 HA LYS 28 HA LYS 28 5.005 -7.192 1.754
205 HB2 LYS 28 HB2 LYS 28 6.855 -6.298 3.959
206 HB3 LYS 28 HB1 LYS 28 6.962 -7.744 2.993
207 HG2 LYS 28 HG2 LYS 28 7.267 -5.001 1.795
208 HG3 LYS 28 HG1 LYS 28 8.627 -5.921 2.420
209 HD2 LYS 28 HD2 LYS 28 6.754 -6.873 0.252
210 HD3 LYS 28 HD1 LYS 28 8.324 -6.125 -0.035
211 HE2 LYS 28 HE2 LYS 28 7.813 -8.733 1.421
212 HE3 LYS 28 HE1 LYS 28 8.522 -8.526 -0.173
213 HZ1 LYS 28 HZ1 LYS 28 10.388 -7.377 0.827
214 HZ2 LYS 28 HZ2 LYS 28 10.221 -8.909 1.475
215 HZ3 LYS 28 HZ3 LYS 28 9.739 -7.578 2.370
216 H TYR 29 H TYR 29 5.238 -8.861 3.566
217 HA TYR 29 HA TYR 29 2.845 -8.641 5.150
218 HB2 TYR 29 HB2 TYR 29 4.894 -10.793 4.805
219 HB3 TYR 29 HB1 TYR 29 3.570 -10.942 5.937
220 HD1 TYR 29 HD1 TYR 29 1.210 -10.970 5.010
221 HD2 TYR 29 HD2 TYR 29 4.612 -11.112 2.463
222 HE1 TYR 29 HE1 TYR 29 -0.207 -11.762 3.183
223 HE2 TYR 29 HE2 TYR 29 3.208 -11.902 0.620
224 HH TYR 29 HH TYR 29 1.071 -13.041 0.306
225 H TYR 30 H TYR 30 6.208 -9.167 5.798
226 HA TYR 30 HA TYR 30 5.787 -8.158 8.466
227 HB2 TYR 30 HB2 TYR 30 7.983 -9.944 7.428
228 HB3 TYR 30 HB1 TYR 30 7.947 -9.273 9.056
229 HD1 TYR 30 HD1 TYR 30 6.007 -9.855 10.553
230 HD2 TYR 30 HD2 TYR 30 6.769 -11.906 6.914
231 HE1 TYR 30 HE1 TYR 30 4.608 -11.699 11.316
232 HE2 TYR 30 HE2 TYR 30 5.374 -13.771 7.664
233 HH TYR 30 HH TYR 30 4.639 -14.708 9.844
Start of MODEL 2
1 H1 CYS 1 HT1 CYS 1 -9.537 -6.080 0.504
2 H2 CYS 1 HT2 CYS 1 -8.652 -7.302 -0.254
3 H3 CYS 1 HT3 CYS 1 -9.301 -6.040 -1.168
4 HA CYS 1 HA CYS 1 -7.879 -4.476 -0.090
5 HB2 CYS 1 HB2 CYS 1 -6.033 -5.369 1.296
6 HB3 CYS 1 HB1 CYS 1 -7.607 -5.489 2.050
7 H LYS 2 H LYS 2 -5.712 -4.150 -0.749
8 HA LYS 2 HA LYS 2 -5.070 -5.649 -3.153
9 HB2 LYS 2 HB2 LYS 2 -3.905 -3.089 -2.036
10 HB3 LYS 2 HB1 LYS 2 -3.355 -3.866 -3.504
11 HG2 LYS 2 HG2 LYS 2 -6.162 -2.905 -3.058
12 HG3 LYS 2 HG1 LYS 2 -4.898 -1.997 -3.896
13 HD2 LYS 2 HD2 LYS 2 -4.670 -3.871 -5.492
14 HD3 LYS 2 HD1 LYS 2 -6.006 -4.690 -4.692
15 HE2 LYS 2 HE2 LYS 2 -7.516 -2.902 -5.288
16 HE3 LYS 2 HE1 LYS 2 -6.194 -1.981 -5.999
17 HZ1 LYS 2 HZ1 LYS 2 -7.177 -4.607 -6.957
18 HZ2 LYS 2 HZ2 LYS 2 -5.894 -3.739 -7.616
19 HZ3 LYS 2 HZ3 LYS 2 -7.452 -3.109 -7.687
20 HA PRO 3 HA PRO 3 -1.864 -8.031 -1.263
21 HB2 PRO 3 HB2 PRO 3 -0.653 -8.951 -3.481
22 HB3 PRO 3 HB1 PRO 3 -2.293 -9.459 -3.063
23 HG2 PRO 3 HG2 PRO 3 -1.406 -7.355 -5.001
24 HG3 PRO 3 HG1 PRO 3 -2.620 -8.630 -5.223
25 HD2 PRO 3 HD2 PRO 3 -3.282 -6.074 -4.588
26 HD3 PRO 3 HD1 PRO 3 -4.232 -7.474 -4.055
27 HA HYP 4 HA HYP 4 1.894 -5.642 -0.851
28 HB2 HYP 4 HB1 HYP 4 3.543 -7.030 -0.097
29 HB3 HYP 4 HB2 HYP 4 3.486 -8.034 -1.550
30 HG HYP 4 HG HYP 4 2.486 -9.432 0.093
31 HD22 HYP 4 HD11 HYP 4 -0.085 -8.873 -0.403
32 HD23 HYP 4 HD12 HYP 4 0.964 -9.332 -1.766
33 HD1 HYP 4 HD2 HYP 4 1.804 -7.051 1.169
34 H GLY 5 H GLY 5 3.063 -4.380 -2.159
35 HA2 GLY 5 HA2 GLY 5 4.348 -3.785 -3.990
36 HA3 GLY 5 HA1 GLY 5 4.039 -5.367 -4.667
37 H SER 6 H SER 6 1.049 -4.569 -4.054
38 HA SER 6 HA SER 6 0.537 -3.528 -6.647
39 HB2 SER 6 HB2 SER 6 -1.176 -4.803 -5.839
40 HB3 SER 6 HB1 SER 6 -1.287 -3.943 -4.258
41 HG SER 6 HG SER 6 -2.282 -2.281 -5.438
42 H LYS 7 H LYS 7 -0.800 -1.772 -6.750
43 HA LYS 7 HA LYS 7 0.638 0.546 -5.591
44 HB2 LYS 7 HB2 LYS 7 0.248 0.534 -8.079
45 HB3 LYS 7 HB1 LYS 7 -1.481 0.523 -7.781
46 HG2 LYS 7 HG2 LYS 7 -1.228 2.734 -6.653
47 HG3 LYS 7 HG1 LYS 7 0.458 2.744 -7.166
48 HD2 LYS 7 HD2 LYS 7 -0.268 2.569 -9.513
49 HD3 LYS 7 HD1 LYS 7 -1.949 2.585 -8.983
50 HE2 LYS 7 HE2 LYS 7 -1.376 4.796 -9.717
51 HE3 LYS 7 HE1 LYS 7 -1.539 4.818 -7.964
52 HZ1 LYS 7 HZ1 LYS 7 0.393 6.052 -8.666
53 HZ2 LYS 7 HZ2 LYS 7 0.988 4.716 -9.490
54 HZ3 LYS 7 HZ3 LYS 7 0.911 4.682 -7.818
55 H CYS 8 H CYS 8 -0.514 2.053 -4.327
56 HA CYS 8 HA CYS 8 -3.297 1.305 -3.746
57 HB2 CYS 8 HB2 CYS 8 -2.784 1.826 -1.351
58 HB3 CYS 8 HB1 CYS 8 -2.199 0.291 -1.978
59 H SER 9 H SER 9 -4.360 2.905 -2.283
60 HA SER 9 HA SER 9 -3.696 5.539 -3.148
61 HB2 SER 9 HB2 SER 9 -6.025 5.881 -2.239
62 HB3 SER 9 HB1 SER 9 -5.870 5.021 -3.792
63 HG SER 9 HG SER 9 -5.866 3.225 -1.759
64 HA HYP 10 HA HYP 10 -1.473 6.323 0.535
65 HB2 HYP 10 HB1 HYP 10 -1.010 8.420 -0.168
66 HB3 HYP 10 HB2 HYP 10 -2.315 8.936 0.905
67 HG HYP 10 HG HYP 10 -3.432 9.614 -0.985
68 HD22 HYP 10 HD11 HYP 10 -4.010 7.386 -2.463
69 HD23 HYP 10 HD12 HYP 10 -4.747 7.645 -0.871
70 HD1 HYP 10 HD2 HYP 10 -2.650 8.474 -3.024
71 H SER 11 H SER 11 -4.412 8.297 1.104
72 HA SER 11 HA SER 11 -4.359 7.757 3.849
73 HB2 SER 11 HB2 SER 11 -6.512 9.075 2.223
74 HB3 SER 11 HB1 SER 11 -6.095 9.370 3.916
75 HG SER 11 HG SER 11 -5.203 10.963 2.613
76 H MET 12 H MET 12 -5.683 5.955 1.282
77 HA MET 12 HA MET 12 -8.006 5.036 2.722
78 HB2 MET 12 HB2 MET 12 -6.799 4.170 0.111
79 HB3 MET 12 HB1 MET 12 -8.263 3.481 0.783
80 HG2 MET 12 HG2 MET 12 -7.887 6.374 0.073
81 HG3 MET 12 HG1 MET 12 -8.654 5.180 -0.963
82 HE1 MET 12 HE1 MET 12 -11.832 4.230 1.192
83 HE2 MET 12 HE2 MET 12 -10.265 3.439 1.258
84 HE3 MET 12 3HE MET 12 -10.942 3.922 -0.299
85 H ARG 13 H ARG 13 -4.841 4.024 2.079
86 HA ARG 13 HA ARG 13 -3.577 2.154 2.536
87 HB2 ARG 13 HB2 ARG 13 -3.944 3.166 4.733
88 HB3 ARG 13 HB1 ARG 13 -5.411 2.221 4.909
89 HG2 ARG 13 HG2 ARG 13 -3.963 0.152 4.866
90 HG3 ARG 13 HG1 ARG 13 -2.550 1.205 4.796
91 HD2 ARG 13 HD2 ARG 13 -2.797 0.489 7.059
92 HD3 ARG 13 HD1 ARG 13 -3.277 2.179 6.985
93 HE ARG 13 HE ARG 13 -5.606 0.783 6.677
94 HH11 ARG 13 HH11 ARG 13 -3.042 0.713 9.145
95 HH12 ARG 13 HH12 ARG 13 -4.100 0.389 10.431
96 HH21 ARG 13 HH21 ARG 13 -7.050 0.291 8.477
97 HH22 ARG 13 HH22 ARG 13 -6.433 0.099 10.036
98 H ASP 14 H ASP 14 -5.278 1.534 0.679
99 HA ASP 14 HA ASP 14 -7.273 -0.394 1.362
100 HB2 ASP 14 HB2 ASP 14 -7.696 -0.456 -1.062
101 HB3 ASP 14 HB1 ASP 14 -7.730 1.169 -0.395
102 H CYS 15 H CYS 15 -4.282 -0.896 1.548
103 HA CYS 15 HA CYS 15 -3.989 -3.351 0.015
104 HB2 CYS 15 HB2 CYS 15 -2.175 -2.146 2.088
105 HB3 CYS 15 HB1 CYS 15 -1.776 -3.427 0.970
106 H CYS 16 H CYS 16 -3.372 -5.328 1.184
107 HA CYS 16 HA CYS 16 -5.166 -5.907 3.274
108 HB2 CYS 16 HB2 CYS 16 -2.737 -7.441 2.351
109 HB3 CYS 16 HB1 CYS 16 -4.007 -8.073 3.386
110 H THR 17 H THR 17 -1.827 -4.990 3.167
111 HA THR 17 HA THR 17 -1.498 -5.305 6.032
112 HB THR 17 HB THR 17 0.876 -4.572 5.394
113 HG1 THR 17 HG1 THR 17 1.239 -4.942 3.035
114 HG21 THR 17 HG21 THR 17 0.261 -6.939 5.796
115 HG22 THR 17 HG22 THR 17 1.433 -6.801 4.484
116 HG23 THR 17 HG23 THR 17 -0.272 -7.078 4.120
117 H THR 18 H THR 18 -0.189 -2.889 3.900
118 HA THR 18 HA THR 18 -1.833 -0.771 4.694
119 HB THR 18 HB THR 18 -0.360 -0.967 6.746
120 HG1 THR 18 HG1 THR 18 0.195 1.298 6.726
121 HG21 THR 18 HG21 THR 18 1.831 -0.118 4.835
122 HG22 THR 18 HG22 THR 18 1.710 -1.693 5.613
123 HG23 THR 18 HG23 THR 18 1.990 -0.248 6.590
124 H CYS 19 H CYS 19 -0.711 1.288 3.835
125 HA CYS 19 HA CYS 19 0.326 0.649 1.143
126 HB2 CYS 19 HB2 CYS 19 -1.877 1.624 1.142
127 HB3 CYS 19 HB1 CYS 19 -1.364 2.955 2.181
128 H ILE 20 H ILE 20 2.346 1.110 1.000
129 HA ILE 20 HA ILE 20 3.906 2.603 2.825
130 HB ILE 20 HB ILE 20 4.510 1.902 -0.080
131 HG12 ILE 20 HG12 ILE 20 5.017 0.284 2.435
132 HG13 ILE 20 HG11 ILE 20 3.877 -0.087 1.172
133 HG21 ILE 20 HG21 ILE 20 6.863 2.016 0.568
134 HG22 ILE 20 HG22 ILE 20 6.400 2.472 2.202
135 HG23 ILE 20 HG23 ILE 20 6.053 3.560 0.851
136 HD11 ILE 20 HD11 ILE 20 6.860 -0.014 0.798
137 HD12 ILE 20 HD12 ILE 20 5.668 -0.424 -0.433
138 HD13 ILE 20 HD13 ILE 20 5.877 -1.466 0.975
139 H SER 21 H SER 21 3.451 4.725 3.060
140 HA SER 21 HA SER 21 2.059 6.270 1.161
141 HB2 SER 21 HB2 SER 21 3.605 7.187 3.572
142 HB3 SER 21 HB1 SER 21 2.330 8.085 2.742
143 HG SER 21 HG SER 21 1.448 5.618 3.353
144 H TYR 22 H TYR 22 5.393 5.637 1.510
145 HA TYR 22 HA TYR 22 6.374 8.008 0.247
146 HB2 TYR 22 HB2 TYR 22 7.705 6.487 1.746
147 HB3 TYR 22 HB1 TYR 22 7.671 5.301 0.474
148 HD1 TYR 22 HD1 TYR 22 9.095 5.439 -1.452
149 HD2 TYR 22 HD2 TYR 22 9.032 8.609 1.387
150 HE1 TYR 22 HE1 TYR 22 11.100 6.397 -2.483
151 HE2 TYR 22 HE2 TYR 22 11.036 9.575 0.356
152 HH TYR 22 HH TYR 22 12.957 8.750 -1.008
153 H THR 23 H THR 23 6.073 4.671 -0.778
154 HA THR 23 HA THR 23 6.654 5.366 -3.552
155 HB THR 23 HB THR 23 6.191 2.604 -2.458
156 HG1 THR 23 HG1 THR 23 8.793 3.488 -2.475
157 HG21 THR 23 HG21 THR 23 6.524 2.860 -4.893
158 HG22 THR 23 HG22 THR 23 7.883 2.018 -4.151
159 HG23 THR 23 HG23 THR 23 8.035 3.718 -4.591
160 H LYS 24 H LYS 24 3.872 4.619 -1.633
161 HA LYS 24 HA LYS 24 1.738 4.265 -1.952
162 HB2 LYS 24 HB2 LYS 24 2.058 4.873 -4.885
163 HB3 LYS 24 HB1 LYS 24 0.606 4.882 -3.930
164 HG2 LYS 24 HG2 LYS 24 2.870 6.818 -3.527
165 HG3 LYS 24 HG1 LYS 24 1.358 7.175 -4.357
166 HD2 LYS 24 HD2 LYS 24 0.121 6.673 -2.283
167 HD3 LYS 24 HD1 LYS 24 1.649 6.342 -1.467
168 HE2 LYS 24 HE2 LYS 24 0.952 8.568 -0.917
169 HE3 LYS 24 HE1 LYS 24 2.364 8.646 -1.963
170 HZ1 LYS 24 HZ1 LYS 24 0.720 10.253 -2.630
171 HZ2 LYS 24 HZ2 LYS 24 -0.450 9.049 -2.797
172 HZ3 LYS 24 HZ3 LYS 24 0.853 9.090 -3.849
173 H ARG 25 H ARG 25 3.282 2.142 -1.844
174 HA ARG 25 HA ARG 25 1.850 0.296 -3.593
175 HB2 ARG 25 HB2 ARG 25 4.680 0.022 -2.648
176 HB3 ARG 25 HB1 ARG 25 3.804 -1.226 -3.511
177 HG2 ARG 25 HG2 ARG 25 4.668 1.465 -4.548
178 HG3 ARG 25 HG1 ARG 25 5.290 -0.114 -5.025
179 HD2 ARG 25 HD2 ARG 25 2.888 -0.642 -5.778
180 HD3 ARG 25 HD1 ARG 25 2.593 1.051 -5.492
181 HE ARG 25 HE ARG 25 4.326 1.576 -7.078
182 HH11 ARG 25 HH11 ARG 25 2.965 -1.703 -7.294
183 HH12 ARG 25 HH12 ARG 25 3.112 -1.748 -8.997
184 HH21 ARG 25 HH21 ARG 25 4.553 1.416 -9.371
185 HH22 ARG 25 HH22 ARG 25 4.037 0.010 -10.190
186 H CYS 26 H CYS 26 1.769 -1.876 -2.608
187 HA CYS 26 HA CYS 26 0.937 -1.538 0.125
188 HB2 CYS 26 HB2 CYS 26 0.724 -3.879 -1.749
189 HB3 CYS 26 HB1 CYS 26 0.029 -3.818 -0.132
190 H ARG 27 H ARG 27 1.861 -2.328 1.828
191 HA ARG 27 HA ARG 27 4.595 -3.122 1.782
192 HB2 ARG 27 HB2 ARG 27 3.239 -1.878 3.612
193 HB3 ARG 27 HB1 ARG 27 2.667 -3.458 4.057
194 HG2 ARG 27 HG2 ARG 27 4.914 -4.227 4.514
195 HG3 ARG 27 HG1 ARG 27 5.557 -2.648 4.048
196 HD2 ARG 27 HD2 ARG 27 4.271 -1.618 5.865
197 HD3 ARG 27 HD1 ARG 27 3.674 -3.213 6.323
198 HE ARG 27 HE ARG 27 6.533 -2.923 6.226
199 HH11 ARG 27 HH11 ARG 27 3.638 -2.870 8.274
200 HH12 ARG 27 HH12 ARG 27 4.488 -3.026 9.736
201 HH21 ARG 27 HH21 ARG 27 7.711 -3.124 8.246
202 HH22 ARG 27 HH22 ARG 27 6.864 -3.169 9.713
203 H LYS 28 H LYS 28 5.359 -5.206 2.714
204 HA LYS 28 HA LYS 28 3.766 -7.455 1.794
205 HB2 LYS 28 HB2 LYS 28 6.397 -7.490 3.235
206 HB3 LYS 28 HB1 LYS 28 5.659 -8.787 2.366
207 HG2 LYS 28 HG2 LYS 28 5.907 -7.607 0.248
208 HG3 LYS 28 HG1 LYS 28 6.678 -6.266 1.088
209 HD2 LYS 28 HD2 LYS 28 7.769 -9.061 1.288
210 HD3 LYS 28 HD1 LYS 28 8.157 -8.021 -0.074
211 HE2 LYS 28 HE2 LYS 28 9.907 -7.952 1.637
212 HE3 LYS 28 HE1 LYS 28 9.153 -6.378 1.437
213 HZ1 LYS 28 HZ1 LYS 28 7.963 -6.716 3.484
214 HZ2 LYS 28 HZ2 LYS 28 9.583 -7.014 3.765
215 HZ3 LYS 28 HZ3 LYS 28 8.522 -8.293 3.642
216 H TYR 29 H TYR 29 3.903 -9.331 3.299
217 HA TYR 29 HA TYR 29 2.522 -8.657 5.728
218 HB2 TYR 29 HB2 TYR 29 3.408 -11.228 4.459
219 HB3 TYR 29 HB1 TYR 29 2.802 -11.214 6.104
220 HD1 TYR 29 HD1 TYR 29 0.493 -11.148 6.514
221 HD2 TYR 29 HD2 TYR 29 1.885 -10.395 2.569
222 HE1 TYR 29 HE1 TYR 29 -1.800 -11.245 5.706
223 HE2 TYR 29 HE2 TYR 29 -0.419 -10.486 1.736
224 HH TYR 29 HH TYR 29 -3.140 -10.556 3.900
225 H TYR 30 H TYR 30 5.530 -10.254 4.930
226 HA TYR 30 HA TYR 30 6.632 -9.176 7.351
227 HB2 TYR 30 HB2 TYR 30 7.287 -11.833 6.040
228 HB3 TYR 30 HB1 TYR 30 8.150 -11.144 7.411
229 HD1 TYR 30 HD1 TYR 30 6.738 -10.582 9.494
230 HD2 TYR 30 HD2 TYR 30 5.439 -13.228 6.433
231 HE1 TYR 30 HE1 TYR 30 5.110 -11.544 11.034
232 HE2 TYR 30 HE2 TYR 30 3.799 -14.209 7.978
233 HH TYR 30 HH TYR 30 3.481 -14.415 10.467
Start of MODEL 3
1 H1 CYS 1 HT1 CYS 1 -8.792 -6.970 -1.125
2 H2 CYS 1 HT2 CYS 1 -9.332 -5.675 -2.079
3 H3 CYS 1 HT3 CYS 1 -9.756 -5.742 -0.458
4 HA CYS 1 HA CYS 1 -8.056 -4.147 -0.902
5 HB2 CYS 1 HB2 CYS 1 -6.376 -5.028 0.739
6 HB3 CYS 1 HB1 CYS 1 -8.037 -5.010 1.300
7 H LYS 2 H LYS 2 -5.857 -3.771 -1.289
8 HA LYS 2 HA LYS 2 -4.940 -5.099 -3.671
9 HB2 LYS 2 HB2 LYS 2 -3.570 -2.957 -2.029
10 HB3 LYS 2 HB1 LYS 2 -3.172 -3.452 -3.654
11 HG2 LYS 2 HG2 LYS 2 -5.757 -2.148 -2.871
12 HG3 LYS 2 HG1 LYS 2 -4.349 -1.313 -3.516
13 HD2 LYS 2 HD2 LYS 2 -4.492 -2.684 -5.555
14 HD3 LYS 2 HD1 LYS 2 -5.956 -3.444 -4.910
15 HE2 LYS 2 HE2 LYS 2 -6.438 -1.626 -6.505
16 HE3 LYS 2 HE1 LYS 2 -7.097 -1.323 -4.896
17 HZ1 LYS 2 HZ1 LYS 2 -4.518 -0.193 -5.850
18 HZ2 LYS 2 HZ2 LYS 2 -5.408 0.236 -4.447
19 HZ3 LYS 2 HZ3 LYS 2 -6.001 0.612 -5.964
20 HA PRO 3 HA PRO 3 -2.266 -7.857 -1.343
21 HB2 PRO 3 HB2 PRO 3 -0.888 -8.898 -3.440
22 HB3 PRO 3 HB1 PRO 3 -2.566 -9.352 -3.113
23 HG2 PRO 3 HG2 PRO 3 -1.491 -7.386 -5.102
24 HG3 PRO 3 HG1 PRO 3 -2.773 -8.592 -5.301
25 HD2 PRO 3 HD2 PRO 3 -3.257 -5.955 -4.832
26 HD3 PRO 3 HD1 PRO 3 -4.352 -7.255 -4.314
27 HA HYP 4 HA HYP 4 1.558 -5.694 -0.635
28 HB2 HYP 4 HB1 HYP 4 3.144 -7.169 0.191
29 HB3 HYP 4 HB2 HYP 4 2.916 -8.314 -1.137
30 HG HYP 4 HG HYP 4 1.727 -9.280 0.726
31 HD22 HYP 4 HD11 HYP 4 -0.725 -8.428 -0.004
32 HD23 HYP 4 HD12 HYP 4 0.255 -9.338 -1.170
33 HD1 HYP 4 HD2 HYP 4 1.676 -6.903 1.580
34 H GLY 5 H GLY 5 2.769 -4.446 -1.891
35 HA2 GLY 5 HA2 GLY 5 4.280 -3.949 -3.586
36 HA3 GLY 5 HA1 GLY 5 3.918 -5.493 -4.334
37 H SER 6 H SER 6 0.954 -4.648 -3.945
38 HA SER 6 HA SER 6 0.620 -3.543 -6.534
39 HB2 SER 6 HB2 SER 6 -1.159 -4.784 -5.863
40 HB3 SER 6 HB1 SER 6 -1.316 -3.973 -4.263
41 HG SER 6 HG SER 6 -2.197 -2.209 -5.479
42 H LYS 7 H LYS 7 -0.698 -1.790 -6.749
43 HA LYS 7 HA LYS 7 0.662 0.541 -5.551
44 HB2 LYS 7 HB2 LYS 7 -1.409 0.553 -7.775
45 HB3 LYS 7 HB1 LYS 7 -0.484 1.944 -7.236
46 HG2 LYS 7 HG2 LYS 7 1.591 0.764 -7.976
47 HG3 LYS 7 HG1 LYS 7 0.563 -0.502 -8.652
48 HD2 LYS 7 HD2 LYS 7 0.488 2.420 -9.430
49 HD3 LYS 7 HD1 LYS 7 1.295 1.157 -10.345
50 HE2 LYS 7 HE2 LYS 7 -0.816 0.056 -10.774
51 HE3 LYS 7 HE1 LYS 7 -1.659 1.187 -9.723
52 HZ1 LYS 7 HZ1 LYS 7 -1.945 1.773 -12.033
53 HZ2 LYS 7 HZ2 LYS 7 -0.268 1.925 -12.247
54 HZ3 LYS 7 HZ3 LYS 7 -1.084 2.965 -11.210
55 H CYS 8 H CYS 8 -0.411 2.012 -4.265
56 HA CYS 8 HA CYS 8 -3.195 1.321 -3.642
57 HB2 CYS 8 HB2 CYS 8 -2.698 1.643 -1.275
58 HB3 CYS 8 HB1 CYS 8 -1.988 0.198 -1.970
59 H SER 9 H SER 9 -4.077 2.880 -1.929
60 HA SER 9 HA SER 9 -3.752 5.525 -2.947
61 HB2 SER 9 HB2 SER 9 -5.677 4.328 -1.046
62 HB3 SER 9 HB1 SER 9 -5.869 5.794 -1.979
63 HG SER 9 HG SER 9 -5.749 3.145 -2.996
64 HA HYP 10 HA HYP 10 -0.863 6.230 0.439
65 HB2 HYP 10 HB1 HYP 10 -0.129 7.775 -1.070
66 HB3 HYP 10 HB2 HYP 10 -0.871 8.915 0.060
67 HG HYP 10 HG HYP 10 -2.342 9.473 -1.712
68 HD22 HYP 10 HD11 HYP 10 -3.843 7.336 -2.250
69 HD23 HYP 10 HD12 HYP 10 -3.900 8.026 -0.603
70 HD1 HYP 10 HD2 HYP 10 -2.017 7.107 -2.953
71 H SER 11 H SER 11 -3.689 6.062 1.418
72 HA SER 11 HA SER 11 -3.538 7.552 3.828
73 HB2 SER 11 HB2 SER 11 -4.072 9.479 2.448
74 HB3 SER 11 HB1 SER 11 -5.397 8.601 1.695
75 HG SER 11 HG SER 11 -5.417 10.102 3.871
76 H MET 12 H MET 12 -5.760 6.164 1.461
77 HA MET 12 HA MET 12 -7.764 5.526 3.367
78 HB2 MET 12 HB2 MET 12 -7.445 4.497 0.551
79 HB3 MET 12 HB1 MET 12 -8.887 4.338 1.532
80 HG2 MET 12 HG2 MET 12 -7.674 6.904 0.523
81 HG3 MET 12 HG1 MET 12 -9.137 6.125 -0.075
82 HE1 MET 12 HE1 MET 12 -11.591 6.595 2.941
83 HE2 MET 12 HE2 MET 12 -10.549 5.195 2.666
84 HE3 MET 12 3HE MET 12 -11.392 5.957 1.306
85 H ARG 13 H ARG 13 -4.968 3.974 2.454
86 HA ARG 13 HA ARG 13 -4.075 1.908 2.641
87 HB2 ARG 13 HB2 ARG 13 -4.093 2.493 4.951
88 HB3 ARG 13 HB1 ARG 13 -5.788 2.043 5.089
89 HG2 ARG 13 HG2 ARG 13 -5.115 -0.332 4.713
90 HG3 ARG 13 HG1 ARG 13 -3.428 0.179 4.627
91 HD2 ARG 13 HD2 ARG 13 -5.240 0.533 7.009
92 HD3 ARG 13 HD1 ARG 13 -4.045 -0.748 6.828
93 HE ARG 13 HE ARG 13 -2.681 1.617 6.474
94 HH11 ARG 13 HH11 ARG 13 -4.656 0.264 9.104
95 HH12 ARG 13 HH12 ARG 13 -3.738 0.977 10.334
96 HH21 ARG 13 HH21 ARG 13 -1.423 2.600 8.199
97 HH22 ARG 13 HH22 ARG 13 -1.855 2.312 9.812
98 H ASP 14 H ASP 14 -5.225 1.361 0.703
99 HA ASP 14 HA ASP 14 -7.519 -0.340 1.029
100 HB2 ASP 14 HB2 ASP 14 -7.546 -0.268 -1.493
101 HB3 ASP 14 HB1 ASP 14 -7.749 1.285 -0.706
102 H CYS 15 H CYS 15 -4.398 -0.781 1.333
103 HA CYS 15 HA CYS 15 -4.116 -3.288 -0.101
104 HB2 CYS 15 HB2 CYS 15 -2.339 -2.242 2.098
105 HB3 CYS 15 HB1 CYS 15 -1.981 -3.460 0.912
106 H CYS 16 H CYS 16 -3.851 -5.288 0.912
107 HA CYS 16 HA CYS 16 -5.628 -5.870 2.992
108 HB2 CYS 16 HB2 CYS 16 -3.269 -7.463 1.990
109 HB3 CYS 16 HB1 CYS 16 -4.598 -8.096 2.947
110 H THR 17 H THR 17 -2.185 -5.194 2.955
111 HA THR 17 HA THR 17 -1.958 -5.696 5.804
112 HB THR 17 HB THR 17 0.477 -5.150 5.323
113 HG1 THR 17 HG1 THR 17 1.089 -5.147 3.099
114 HG21 THR 17 HG21 THR 17 0.913 -7.349 4.283
115 HG22 THR 17 HG22 THR 17 -0.780 -7.456 3.808
116 HG23 THR 17 HG23 THR 17 -0.340 -7.475 5.514
117 H THR 18 H THR 18 -0.382 -3.318 3.869
118 HA THR 18 HA THR 18 -1.496 -1.012 5.237
119 HB THR 18 HB THR 18 1.440 -1.784 5.407
120 HG1 THR 18 HG1 THR 18 -0.652 -2.337 7.023
121 HG21 THR 18 HG21 THR 18 1.113 0.646 5.285
122 HG22 THR 18 HG22 THR 18 1.733 0.136 6.850
123 HG23 THR 18 HG23 THR 18 0.027 0.577 6.683
124 H CYS 19 H CYS 19 -0.982 0.883 3.972
125 HA CYS 19 HA CYS 19 0.193 0.383 1.318
126 HB2 CYS 19 HB2 CYS 19 -2.067 1.319 1.248
127 HB3 CYS 19 HB1 CYS 19 -1.620 2.570 2.401
128 H ILE 20 H ILE 20 2.093 1.284 0.908
129 HA ILE 20 HA ILE 20 3.287 2.976 2.953
130 HB ILE 20 HB ILE 20 4.509 1.695 0.485
131 HG12 ILE 20 HG12 ILE 20 3.813 -0.035 2.064
132 HG13 ILE 20 HG11 ILE 20 5.568 0.088 2.055
133 HG21 ILE 20 HG21 ILE 20 5.740 3.675 1.174
134 HG22 ILE 20 HG22 ILE 20 6.683 2.219 1.495
135 HG23 ILE 20 HG23 ILE 20 5.865 3.044 2.817
136 HD11 ILE 20 HD11 ILE 20 5.436 1.396 4.132
137 HD12 ILE 20 HD12 ILE 20 4.750 -0.221 4.295
138 HD13 ILE 20 HD13 ILE 20 3.686 1.178 4.140
139 H SER 21 H SER 21 2.509 4.976 2.639
140 HA SER 21 HA SER 21 1.637 6.072 0.238
141 HB2 SER 21 HB2 SER 21 2.458 7.496 2.759
142 HB3 SER 21 HB1 SER 21 1.365 8.087 1.503
143 HG SER 21 HG SER 21 0.563 6.866 3.553
144 H TYR 22 H TYR 22 4.828 5.739 1.310
145 HA TYR 22 HA TYR 22 6.020 8.014 0.110
146 HB2 TYR 22 HB2 TYR 22 7.113 6.455 1.729
147 HB3 TYR 22 HB1 TYR 22 7.172 5.253 0.469
148 HD1 TYR 22 HD1 TYR 22 8.288 8.763 1.079
149 HD2 TYR 22 HD2 TYR 22 9.092 5.047 -0.833
150 HE1 TYR 22 HE1 TYR 22 10.451 9.624 0.326
151 HE2 TYR 22 HE2 TYR 22 11.255 5.899 -1.593
152 HH TYR 22 HH TYR 22 12.382 7.979 -1.990
153 H THR 23 H THR 23 5.746 4.717 -0.990
154 HA THR 23 HA THR 23 6.314 5.618 -3.727
155 HB THR 23 HB THR 23 7.855 3.928 -2.903
156 HG1 THR 23 HG1 THR 23 7.843 2.635 -4.601
157 HG21 THR 23 HG21 THR 23 5.439 2.156 -2.523
158 HG22 THR 23 HG22 THR 23 6.455 2.827 -1.249
159 HG23 THR 23 HG23 THR 23 7.119 1.636 -2.367
160 H LYS 24 H LYS 24 3.686 4.715 -1.830
161 HA LYS 24 HA LYS 24 1.626 4.148 -2.094
162 HB2 LYS 24 HB2 LYS 24 1.973 5.025 -4.961
163 HB3 LYS 24 HB1 LYS 24 0.512 4.413 -4.285
164 HG2 LYS 24 HG2 LYS 24 0.420 6.859 -4.346
165 HG3 LYS 24 HG1 LYS 24 0.288 6.220 -2.721
166 HD2 LYS 24 HD2 LYS 24 1.666 8.187 -2.681
167 HD3 LYS 24 HD1 LYS 24 2.689 6.789 -2.378
168 HE2 LYS 24 HE2 LYS 24 3.513 6.844 -4.628
169 HE3 LYS 24 HE1 LYS 24 2.382 8.132 -5.062
170 HZ1 LYS 24 HZ1 LYS 24 4.572 9.010 -4.665
171 HZ2 LYS 24 HZ2 LYS 24 4.643 8.377 -3.106
172 HZ3 LYS 24 HZ3 LYS 24 3.513 9.580 -3.503
173 H ARG 25 H ARG 25 3.149 2.158 -1.872
174 HA ARG 25 HA ARG 25 1.869 0.173 -3.565
175 HB2 ARG 25 HB2 ARG 25 4.727 0.031 -2.671
176 HB3 ARG 25 HB1 ARG 25 3.880 -1.248 -3.491
177 HG2 ARG 25 HG2 ARG 25 4.653 1.424 -4.665
178 HG3 ARG 25 HG1 ARG 25 5.354 -0.149 -5.049
179 HD2 ARG 25 HD2 ARG 25 2.921 -0.790 -5.768
180 HD3 ARG 25 HD1 ARG 25 2.654 0.919 -5.649
181 HE ARG 25 HE ARG 25 4.296 1.341 -7.314
182 HH11 ARG 25 HH11 ARG 25 3.292 -2.088 -7.131
183 HH12 ARG 25 HH12 ARG 25 3.486 -2.365 -8.791
184 HH21 ARG 25 HH21 ARG 25 4.571 0.907 -9.597
185 HH22 ARG 25 HH22 ARG 25 4.240 -0.650 -10.224
186 H CYS 26 H CYS 26 1.769 -1.861 -2.514
187 HA CYS 26 HA CYS 26 1.014 -1.469 0.225
188 HB2 CYS 26 HB2 CYS 26 0.780 -3.885 -1.546
189 HB3 CYS 26 HB1 CYS 26 0.063 -3.720 0.062
190 H ARG 27 H ARG 27 1.830 -2.280 1.947
191 HA ARG 27 HA ARG 27 4.572 -2.906 2.184
192 HB2 ARG 27 HB2 ARG 27 2.803 -1.900 3.831
193 HB3 ARG 27 HB1 ARG 27 2.508 -3.562 4.221
194 HG2 ARG 27 HG2 ARG 27 4.739 -3.934 4.940
195 HG3 ARG 27 HG1 ARG 27 5.235 -2.311 4.448
196 HD2 ARG 27 HD2 ARG 27 3.617 -1.408 6.059
197 HD3 ARG 27 HD1 ARG 27 3.266 -3.044 6.611
198 HE ARG 27 HE ARG 27 5.945 -1.835 6.758
199 HH11 ARG 27 HH11 ARG 27 3.446 -3.866 8.226
200 HH12 ARG 27 HH12 ARG 27 4.233 -3.961 9.726
201 HH21 ARG 27 HH21 ARG 27 7.010 -1.999 8.767
202 HH22 ARG 27 HH22 ARG 27 6.331 -2.900 10.048
203 H LYS 28 H LYS 28 5.494 -4.877 3.035
204 HA LYS 28 HA LYS 28 4.193 -7.292 2.004
205 HB2 LYS 28 HB2 LYS 28 6.889 -7.082 3.275
206 HB3 LYS 28 HB1 LYS 28 6.314 -8.266 2.122
207 HG2 LYS 28 HG2 LYS 28 6.249 -6.563 0.370
208 HG3 LYS 28 HG1 LYS 28 6.870 -5.380 1.509
209 HD2 LYS 28 HD2 LYS 28 8.901 -6.759 1.796
210 HD3 LYS 28 HD1 LYS 28 8.278 -7.875 0.571
211 HE2 LYS 28 HE2 LYS 28 8.922 -4.951 0.156
212 HE3 LYS 28 HE1 LYS 28 9.886 -6.315 -0.401
213 HZ1 LYS 28 HZ1 LYS 28 8.044 -6.996 -1.787
214 HZ2 LYS 28 HZ2 LYS 28 8.515 -5.425 -2.161
215 HZ3 LYS 28 HZ3 LYS 28 7.112 -5.692 -1.262
216 H TYR 29 H TYR 29 4.736 -9.210 3.430
217 HA TYR 29 HA TYR 29 3.305 -8.740 5.858
218 HB2 TYR 29 HB2 TYR 29 4.367 -11.226 4.571
219 HB3 TYR 29 HB1 TYR 29 3.660 -11.252 6.172
220 HD1 TYR 29 HD1 TYR 29 1.263 -10.577 6.436
221 HD2 TYR 29 HD2 TYR 29 3.021 -11.092 2.600
222 HE1 TYR 29 HE1 TYR 29 -0.962 -10.696 5.445
223 HE2 TYR 29 HE2 TYR 29 0.800 -11.215 1.591
224 HH TYR 29 HH TYR 29 -2.069 -10.430 3.371
225 H TYR 30 H TYR 30 6.478 -10.251 5.253
226 HA TYR 30 HA TYR 30 7.225 -9.273 7.863
227 HB2 TYR 30 HB2 TYR 30 8.042 -11.903 6.631
228 HB3 TYR 30 HB1 TYR 30 8.506 -11.304 8.217
229 HD1 TYR 30 HD1 TYR 30 6.118 -13.203 6.379
230 HD2 TYR 30 HD2 TYR 30 6.610 -10.893 9.908
231 HE1 TYR 30 HE1 TYR 30 4.119 -14.240 7.324
232 HE2 TYR 30 HE2 TYR 30 4.620 -11.930 10.873
233 HH TYR 30 HH TYR 30 2.576 -13.043 10.076
Start of MODEL 4
1 H1 CYS 1 HT1 CYS 1 -8.625 -7.308 -0.721
2 H2 CYS 1 HT2 CYS 1 -9.383 -6.095 -1.589
3 H3 CYS 1 HT3 CYS 1 -9.566 -6.180 0.079
4 HA CYS 1 HA CYS 1 -8.023 -4.422 -0.577
5 HB2 CYS 1 HB2 CYS 1 -6.150 -5.177 0.896
6 HB3 CYS 1 HB1 CYS 1 -7.744 -5.312 1.616
7 H LYS 2 H LYS 2 -5.769 -4.014 -1.117
8 HA LYS 2 HA LYS 2 -5.031 -5.431 -3.540
9 HB2 LYS 2 HB2 LYS 2 -3.591 -3.155 -2.161
10 HB3 LYS 2 HB1 LYS 2 -3.264 -3.777 -3.760
11 HG2 LYS 2 HG2 LYS 2 -5.732 -2.323 -2.877
12 HG3 LYS 2 HG1 LYS 2 -4.429 -1.682 -3.871
13 HD2 LYS 2 HD2 LYS 2 -4.977 -3.469 -5.550
14 HD3 LYS 2 HD1 LYS 2 -6.412 -3.835 -4.585
15 HE2 LYS 2 HE2 LYS 2 -5.733 -1.243 -5.959
16 HE3 LYS 2 HE1 LYS 2 -7.073 -2.327 -6.324
17 HZ1 LYS 2 HZ1 LYS 2 -7.858 -0.447 -5.080
18 HZ2 LYS 2 HZ2 LYS 2 -6.698 -0.675 -3.896
19 HZ3 LYS 2 HZ3 LYS 2 -7.949 -1.802 -4.060
20 HA PRO 3 HA PRO 3 -2.102 -8.035 -1.405
21 HB2 PRO 3 HB2 PRO 3 -0.743 -8.946 -3.569
22 HB3 PRO 3 HB1 PRO 3 -2.386 -9.486 -3.202
23 HG2 PRO 3 HG2 PRO 3 -1.477 -7.385 -5.133
24 HG3 PRO 3 HG1 PRO 3 -2.666 -8.681 -5.378
25 HD2 PRO 3 HD2 PRO 3 -3.389 -6.142 -4.815
26 HD3 PRO 3 HD1 PRO 3 -4.321 -7.543 -4.246
27 HA HYP 4 HA HYP 4 1.561 -5.599 -0.795
28 HB2 HYP 4 HB1 HYP 4 3.141 -6.921 0.203
29 HB3 HYP 4 HB2 HYP 4 3.143 -8.087 -1.132
30 HG HYP 4 HG HYP 4 1.952 -9.204 0.639
31 HD22 HYP 4 HD11 HYP 4 -0.493 -8.740 -0.293
32 HD23 HYP 4 HD12 HYP 4 0.726 -9.343 -1.441
33 HD1 HYP 4 HD2 HYP 4 1.477 -6.796 1.429
34 H GLY 5 H GLY 5 2.716 -4.384 -2.103
35 HA2 GLY 5 HA2 GLY 5 4.265 -4.007 -3.827
36 HA3 GLY 5 HA1 GLY 5 3.770 -5.520 -4.566
37 H SER 6 H SER 6 0.903 -4.645 -4.109
38 HA SER 6 HA SER 6 0.580 -3.392 -6.627
39 HB2 SER 6 HB2 SER 6 -1.224 -4.668 -6.098
40 HB3 SER 6 HB1 SER 6 -1.387 -4.002 -4.430
41 HG SER 6 HG SER 6 -2.289 -2.164 -5.414
42 H LYS 7 H LYS 7 -0.752 -1.637 -6.736
43 HA LYS 7 HA LYS 7 0.604 0.628 -5.432
44 HB2 LYS 7 HB2 LYS 7 0.221 0.806 -7.883
45 HB3 LYS 7 HB1 LYS 7 -1.517 0.725 -7.606
46 HG2 LYS 7 HG2 LYS 7 -1.383 2.834 -6.320
47 HG3 LYS 7 HG1 LYS 7 0.338 2.920 -6.678
48 HD2 LYS 7 HD2 LYS 7 -0.907 4.364 -8.187
49 HD3 LYS 7 HD1 LYS 7 -0.189 3.025 -9.075
50 HE2 LYS 7 HE2 LYS 7 -2.479 3.481 -9.802
51 HE3 LYS 7 HE1 LYS 7 -2.329 1.870 -9.117
52 HZ1 LYS 7 HZ1 LYS 7 -3.316 2.696 -7.060
53 HZ2 LYS 7 HZ2 LYS 7 -4.316 2.970 -8.358
54 HZ3 LYS 7 HZ3 LYS 7 -3.450 4.249 -7.702
55 H CYS 8 H CYS 8 -0.447 2.080 -4.140
56 HA CYS 8 HA CYS 8 -3.232 1.441 -3.400
57 HB2 CYS 8 HB2 CYS 8 -2.540 1.812 -1.047
58 HB3 CYS 8 HB1 CYS 8 -2.045 0.295 -1.784
59 H SER 9 H SER 9 -4.063 3.037 -1.746
60 HA SER 9 HA SER 9 -3.243 5.680 -2.446
61 HB2 SER 9 HB2 SER 9 -5.364 6.206 -1.428
62 HB3 SER 9 HB1 SER 9 -5.515 5.251 -2.926
63 HG SER 9 HG SER 9 -5.746 3.389 -1.385
64 HA HYP 10 HA HYP 10 -1.669 5.783 1.743
65 HB2 HYP 10 HB1 HYP 10 -0.096 7.374 1.274
66 HB3 HYP 10 HB2 HYP 10 -1.298 8.624 1.598
67 HG HYP 10 HG HYP 10 -0.930 9.001 -0.736
68 HD22 HYP 10 HD11 HYP 10 -2.692 7.436 -1.859
69 HD23 HYP 10 HD12 HYP 10 -3.270 8.387 -0.460
70 HD1 HYP 10 HD2 HYP 10 -1.023 6.417 -1.421
71 H SER 11 H SER 11 -4.561 6.985 0.857
72 HA SER 11 HA SER 11 -5.199 8.407 3.295
73 HB2 SER 11 HB2 SER 11 -7.307 8.799 1.881
74 HB3 SER 11 HB1 SER 11 -5.803 9.568 1.352
75 HG SER 11 HG SER 11 -6.962 8.452 -0.337
76 H MET 12 H MET 12 -6.624 5.925 1.189
77 HA MET 12 HA MET 12 -8.467 5.099 3.242
78 HB2 MET 12 HB2 MET 12 -8.018 4.001 0.468
79 HB3 MET 12 HB1 MET 12 -9.357 3.584 1.526
80 HG2 MET 12 HG2 MET 12 -10.163 5.870 1.439
81 HG3 MET 12 HG1 MET 12 -8.791 6.334 0.440
82 HE1 MET 12 HE1 MET 12 -11.823 6.539 -2.053
83 HE2 MET 12 HE2 MET 12 -10.466 7.410 -1.339
84 HE3 MET 12 3HE MET 12 -11.835 6.939 -0.335
85 H ARG 13 H ARG 13 -5.474 4.125 2.082
86 HA ARG 13 HA ARG 13 -4.146 2.314 2.214
87 HB2 ARG 13 HB2 ARG 13 -4.090 3.009 4.530
88 HB3 ARG 13 HB1 ARG 13 -5.583 2.128 4.823
89 HG2 ARG 13 HG2 ARG 13 -4.301 0.017 4.273
90 HG3 ARG 13 HG1 ARG 13 -2.843 1.010 4.188
91 HD2 ARG 13 HD2 ARG 13 -2.958 -0.041 6.352
92 HD3 ARG 13 HD1 ARG 13 -3.215 1.690 6.524
93 HE ARG 13 HE ARG 13 -5.533 -0.061 6.341
94 HH11 ARG 13 HH11 ARG 13 -3.508 2.108 8.265
95 HH12 ARG 13 HH12 ARG 13 -4.509 2.110 9.627
96 HH21 ARG 13 HH21 ARG 13 -6.970 -0.051 8.245
97 HH22 ARG 13 HH22 ARG 13 -6.519 0.836 9.623
98 H ASP 14 H ASP 14 -5.299 1.418 0.472
99 HA ASP 14 HA ASP 14 -7.417 -0.437 1.027
100 HB2 ASP 14 HB2 ASP 14 -7.545 -0.551 -1.470
101 HB3 ASP 14 HB1 ASP 14 -7.779 1.049 -0.778
102 H CYS 15 H CYS 15 -4.381 -0.817 1.460
103 HA CYS 15 HA CYS 15 -3.931 -3.291 -0.009
104 HB2 CYS 15 HB2 CYS 15 -2.252 -2.123 2.194
105 HB3 CYS 15 HB1 CYS 15 -1.807 -3.350 1.038
106 H CYS 16 H CYS 16 -3.505 -5.267 1.053
107 HA CYS 16 HA CYS 16 -5.267 -5.941 3.132
108 HB2 CYS 16 HB2 CYS 16 -2.821 -7.388 2.144
109 HB3 CYS 16 HB1 CYS 16 -4.123 -8.098 3.085
110 H THR 17 H THR 17 -1.886 -5.038 3.084
111 HA THR 17 HA THR 17 -1.672 -5.372 5.958
112 HB THR 17 HB THR 17 0.742 -4.688 5.448
113 HG1 THR 17 HG1 THR 17 1.260 -4.924 3.143
114 HG21 THR 17 HG21 THR 17 -0.358 -7.141 4.039
115 HG22 THR 17 HG22 THR 17 0.081 -7.055 5.748
116 HG23 THR 17 HG23 THR 17 1.324 -6.899 4.512
117 H THR 18 H THR 18 -0.163 -2.944 3.952
118 HA THR 18 HA THR 18 -1.823 -0.811 4.684
119 HB THR 18 HB THR 18 -0.498 -1.103 6.827
120 HG1 THR 18 HG1 THR 18 -0.475 1.002 7.074
121 HG21 THR 18 HG21 THR 18 1.838 -0.326 5.068
122 HG22 THR 18 HG22 THR 18 1.617 -1.878 5.874
123 HG23 THR 18 HG23 THR 18 1.880 -0.417 6.828
124 H CYS 19 H CYS 19 -0.453 1.254 3.994
125 HA CYS 19 HA CYS 19 0.553 0.581 1.296
126 HB2 CYS 19 HB2 CYS 19 -1.618 1.688 1.289
127 HB3 CYS 19 HB1 CYS 19 -1.001 2.987 2.302
128 H ILE 20 H ILE 20 2.572 1.235 0.912
129 HA ILE 20 HA ILE 20 3.984 2.847 2.834
130 HB ILE 20 HB ILE 20 4.936 1.921 0.100
131 HG12 ILE 20 HG12 ILE 20 5.014 0.399 2.728
132 HG13 ILE 20 HG11 ILE 20 4.119 -0.019 1.298
133 HG21 ILE 20 HG21 ILE 20 7.167 2.069 1.134
134 HG22 ILE 20 HG22 ILE 20 6.432 2.622 2.636
135 HG23 ILE 20 HG23 ILE 20 6.325 3.617 1.183
136 HD11 ILE 20 HD11 ILE 20 7.121 0.053 1.430
137 HD12 ILE 20 HD12 ILE 20 6.147 -0.419 0.038
138 HD13 ILE 20 HD13 ILE 20 6.123 -1.399 1.505
139 H SER 21 H SER 21 3.146 4.866 2.736
140 HA SER 21 HA SER 21 1.897 6.147 0.713
141 HB2 SER 21 HB2 SER 21 3.519 7.410 2.900
142 HB3 SER 21 HB1 SER 21 2.134 8.121 2.062
143 HG SER 21 HG SER 21 1.283 7.254 3.885
144 H TYR 22 H TYR 22 5.374 5.984 1.170
145 HA TYR 22 HA TYR 22 6.036 8.137 -0.594
146 HB2 TYR 22 HB2 TYR 22 7.547 7.225 1.190
147 HB3 TYR 22 HB1 TYR 22 7.721 5.783 0.230
148 HD1 TYR 22 HD1 TYR 22 8.453 9.423 0.187
149 HD2 TYR 22 HD2 TYR 22 9.229 5.638 -1.595
150 HE1 TYR 22 HE1 TYR 22 10.267 10.418 -1.114
151 HE2 TYR 22 HE2 TYR 22 11.052 6.623 -2.901
152 HH TYR 22 HH TYR 22 11.591 8.937 -3.774
153 H THR 23 H THR 23 6.191 4.679 -0.840
154 HA THR 23 HA THR 23 7.020 4.703 -3.603
155 HB THR 23 HB THR 23 6.185 2.306 -1.978
156 HG1 THR 23 HG1 THR 23 8.855 2.940 -1.911
157 HG21 THR 23 HG21 THR 23 8.311 2.715 -4.106
158 HG22 THR 23 HG22 THR 23 6.748 1.949 -4.369
159 HG23 THR 23 HG23 THR 23 7.934 1.190 -3.304
160 H LYS 24 H LYS 24 4.055 4.633 -1.945
161 HA LYS 24 HA LYS 24 1.915 4.441 -2.432
162 HB2 LYS 24 HB2 LYS 24 2.519 4.291 -5.375
163 HB3 LYS 24 HB1 LYS 24 1.064 4.767 -4.582
164 HG2 LYS 24 HG2 LYS 24 3.572 6.393 -4.352
165 HG3 LYS 24 HG1 LYS 24 2.286 6.717 -5.517
166 HD2 LYS 24 HD2 LYS 24 0.697 6.970 -3.671
167 HD3 LYS 24 HD1 LYS 24 1.991 6.652 -2.520
168 HE2 LYS 24 HE2 LYS 24 3.169 8.627 -3.249
169 HE3 LYS 24 HE1 LYS 24 1.933 8.943 -4.473
170 HZ1 LYS 24 HZ1 LYS 24 1.574 10.292 -2.524
171 HZ2 LYS 24 HZ2 LYS 24 1.523 8.926 -1.532
172 HZ3 LYS 24 HZ3 LYS 24 0.330 9.179 -2.696
173 H ARG 25 H ARG 25 3.516 2.143 -2.049
174 HA ARG 25 HA ARG 25 1.923 0.234 -3.579
175 HB2 ARG 25 HB2 ARG 25 4.812 -0.161 -2.863
176 HB3 ARG 25 HB1 ARG 25 3.801 -1.362 -3.628
177 HG2 ARG 25 HG2 ARG 25 4.735 1.249 -4.821
178 HG3 ARG 25 HG1 ARG 25 5.213 -0.380 -5.305
179 HD2 ARG 25 HD2 ARG 25 2.721 -0.756 -5.838
180 HD3 ARG 25 HD1 ARG 25 2.569 0.956 -5.567
181 HE ARG 25 HE ARG 25 4.359 1.168 -7.356
182 HH11 ARG 25 HH11 ARG 25 1.973 -1.414 -7.361
183 HH12 ARG 25 HH12 ARG 25 1.688 -1.389 -9.029
184 HH21 ARG 25 HH21 ARG 25 3.973 1.250 -9.693
185 HH22 ARG 25 HH22 ARG 25 2.875 0.174 -10.396
186 H CYS 26 H CYS 26 1.770 -1.858 -2.558
187 HA CYS 26 HA CYS 26 1.026 -1.448 0.183
188 HB2 CYS 26 HB2 CYS 26 0.692 -3.804 -1.658
189 HB3 CYS 26 HB1 CYS 26 0.036 -3.709 -0.026
190 H ARG 27 H ARG 27 1.945 -2.188 1.889
191 HA ARG 27 HA ARG 27 4.626 -3.050 1.964
192 HB2 ARG 27 HB2 ARG 27 3.261 -1.855 3.787
193 HB3 ARG 27 HB1 ARG 27 2.541 -3.401 4.093
194 HG2 ARG 27 HG2 ARG 27 4.707 -4.389 4.630
195 HG3 ARG 27 HG1 ARG 27 5.474 -2.828 4.362
196 HD2 ARG 27 HD2 ARG 27 4.292 -1.865 6.202
197 HD3 ARG 27 HD1 ARG 27 3.331 -3.331 6.408
198 HE ARG 27 HE ARG 27 5.952 -4.108 6.582
199 HH11 ARG 27 HH11 ARG 27 3.878 -1.867 8.410
200 HH12 ARG 27 HH12 ARG 27 4.641 -2.195 9.890
201 HH21 ARG 27 HH21 ARG 27 6.984 -4.513 8.672
202 HH22 ARG 27 HH22 ARG 27 6.399 -3.722 10.050
203 H LYS 28 H LYS 28 5.407 -5.099 2.697
204 HA LYS 28 HA LYS 28 3.816 -7.421 1.934
205 HB2 LYS 28 HB2 LYS 28 6.573 -7.286 3.146
206 HB3 LYS 28 HB1 LYS 28 5.788 -8.657 2.409
207 HG2 LYS 28 HG2 LYS 28 5.867 -7.674 0.233
208 HG3 LYS 28 HG1 LYS 28 6.520 -6.172 0.894
209 HD2 LYS 28 HD2 LYS 28 8.524 -7.293 1.594
210 HD3 LYS 28 HD1 LYS 28 7.874 -8.857 1.124
211 HE2 LYS 28 HE2 LYS 28 8.484 -6.559 -0.732
212 HE3 LYS 28 HE1 LYS 28 9.467 -8.002 -0.517
213 HZ1 LYS 28 HZ1 LYS 28 6.720 -7.890 -1.670
214 HZ2 LYS 28 HZ2 LYS 28 7.512 -9.307 -1.287
215 HZ3 LYS 28 HZ3 LYS 28 8.148 -8.298 -2.464
216 H TYR 29 H TYR 29 4.227 -9.247 3.506
217 HA TYR 29 HA TYR 29 2.928 -8.500 5.974
218 HB2 TYR 29 HB2 TYR 29 3.793 -11.159 4.835
219 HB3 TYR 29 HB1 TYR 29 3.035 -10.995 6.406
220 HD1 TYR 29 HD1 TYR 29 0.629 -10.377 6.541
221 HD2 TYR 29 HD2 TYR 29 2.530 -10.979 2.782
222 HE1 TYR 29 HE1 TYR 29 -1.572 -10.566 5.462
223 HE2 TYR 29 HE2 TYR 29 0.346 -11.159 1.696
224 HH TYR 29 HH TYR 29 -1.974 -11.811 2.389
225 H TYR 30 H TYR 30 5.785 -10.358 5.087
226 HA TYR 30 HA TYR 30 7.002 -9.632 7.582
227 HB2 TYR 30 HB2 TYR 30 7.798 -11.729 5.539
228 HB3 TYR 30 HB1 TYR 30 8.629 -11.425 7.060
229 HD1 TYR 30 HD1 TYR 30 7.705 -12.182 9.158
230 HD2 TYR 30 HD2 TYR 30 5.596 -12.766 5.520
231 HE1 TYR 30 HE1 TYR 30 6.186 -13.729 10.297
232 HE2 TYR 30 HE2 TYR 30 4.067 -14.307 6.632
233 HH TYR 30 HH TYR 30 4.006 -15.717 8.567
Start of MODEL 5
1 H1 CYS 1 HT1 CYS 1 -9.257 -6.002 -2.063
2 H2 CYS 1 HT2 CYS 1 -9.806 -5.880 -0.466
3 H3 CYS 1 HT3 CYS 1 -8.714 -7.100 -0.913
4 HA CYS 1 HA CYS 1 -8.175 -4.231 -0.989
5 HB2 CYS 1 HB2 CYS 1 -6.566 -4.843 0.872
6 HB3 CYS 1 HB1 CYS 1 -8.265 -4.794 1.292
7 H LYS 2 H LYS 2 -5.928 -3.777 -1.248
8 HA LYS 2 HA LYS 2 -4.926 -5.107 -3.563
9 HB2 LYS 2 HB2 LYS 2 -3.570 -3.014 -1.851
10 HB3 LYS 2 HB1 LYS 2 -3.096 -3.521 -3.452
11 HG2 LYS 2 HG2 LYS 2 -5.698 -2.170 -2.809
12 HG3 LYS 2 HG1 LYS 2 -4.226 -1.378 -3.385
13 HD2 LYS 2 HD2 LYS 2 -4.296 -2.714 -5.419
14 HD3 LYS 2 HD1 LYS 2 -5.777 -3.495 -4.856
15 HE2 LYS 2 HE2 LYS 2 -6.212 -1.661 -6.455
16 HE3 LYS 2 HE1 LYS 2 -6.952 -1.403 -4.878
17 HZ1 LYS 2 HZ1 LYS 2 -5.351 0.174 -4.308
18 HZ2 LYS 2 HZ2 LYS 2 -5.802 0.589 -5.868
19 HZ3 LYS 2 HZ3 LYS 2 -4.334 -0.219 -5.589
20 HA PRO 3 HA PRO 3 -2.291 -8.074 -1.492
21 HB2 PRO 3 HB2 PRO 3 -0.804 -8.772 -3.673
22 HB3 PRO 3 HB1 PRO 3 -2.469 -9.319 -3.460
23 HG2 PRO 3 HG2 PRO 3 -1.413 -7.050 -5.099
24 HG3 PRO 3 HG1 PRO 3 -2.619 -8.272 -5.536
25 HD2 PRO 3 HD2 PRO 3 -3.310 -5.792 -4.756
26 HD3 PRO 3 HD1 PRO 3 -4.303 -7.214 -4.366
27 HA HYP 4 HA HYP 4 1.370 -5.823 -0.383
28 HB2 HYP 4 HB1 HYP 4 2.279 -7.383 0.989
29 HB3 HYP 4 HB2 HYP 4 3.208 -8.000 -0.383
30 HG HYP 4 HG HYP 4 1.928 -9.903 -0.067
31 HD22 HYP 4 HD11 HYP 4 -0.510 -9.327 -1.070
32 HD23 HYP 4 HD12 HYP 4 0.917 -9.206 -2.124
33 HD1 HYP 4 HD2 HYP 4 -0.142 -9.727 0.856
34 H GLY 5 H GLY 5 2.573 -4.549 -1.574
35 HA2 GLY 5 HA2 GLY 5 4.273 -4.055 -3.089
36 HA3 GLY 5 HA1 GLY 5 4.008 -5.602 -3.874
37 H SER 6 H SER 6 0.988 -4.772 -3.650
38 HA SER 6 HA SER 6 0.807 -3.710 -6.273
39 HB2 SER 6 HB2 SER 6 -1.041 -4.938 -5.670
40 HB3 SER 6 HB1 SER 6 -1.283 -4.069 -4.114
41 HG SER 6 HG SER 6 -2.155 -2.414 -5.348
42 H LYS 7 H LYS 7 -0.482 -1.957 -6.573
43 HA LYS 7 HA LYS 7 0.763 0.360 -5.256
44 HB2 LYS 7 HB2 LYS 7 -0.189 1.786 -6.993
45 HB3 LYS 7 HB1 LYS 7 0.664 0.443 -7.730
46 HG2 LYS 7 HG2 LYS 7 -1.438 -0.678 -8.180
47 HG3 LYS 7 HG1 LYS 7 -2.317 0.620 -7.366
48 HD2 LYS 7 HD2 LYS 7 -1.440 2.212 -9.000
49 HD3 LYS 7 HD1 LYS 7 -0.612 0.892 -9.826
50 HE2 LYS 7 HE2 LYS 7 -2.765 -0.185 -10.240
51 HE3 LYS 7 HE1 LYS 7 -3.585 1.143 -9.426
52 HZ1 LYS 7 HZ1 LYS 7 -1.978 1.342 -11.912
53 HZ2 LYS 7 HZ2 LYS 7 -2.641 2.645 -11.091
54 HZ3 LYS 7 HZ3 LYS 7 -3.658 1.484 -11.775
55 H CYS 8 H CYS 8 -0.383 1.833 -4.131
56 HA CYS 8 HA CYS 8 -3.140 1.043 -3.531
57 HB2 CYS 8 HB2 CYS 8 -2.698 1.734 -1.203
58 HB3 CYS 8 HB1 CYS 8 -1.888 0.265 -1.714
59 H SER 9 H SER 9 -4.175 2.744 -2.111
60 HA SER 9 HA SER 9 -3.942 5.219 -3.488
61 HB2 SER 9 HB2 SER 9 -5.882 4.193 -1.499
62 HB3 SER 9 HB1 SER 9 -6.094 5.535 -2.623
63 HG SER 9 HG SER 9 -6.011 2.748 -3.199
64 HA HYP 10 HA HYP 10 -0.769 6.438 -0.587
65 HB2 HYP 10 HB1 HYP 10 -0.583 8.547 -1.346
66 HB3 HYP 10 HB2 HYP 10 -1.963 9.043 -0.351
67 HG HYP 10 HG HYP 10 -2.855 9.305 -2.599
68 HD22 HYP 10 HD11 HYP 10 -4.056 7.044 -2.906
69 HD23 HYP 10 HD12 HYP 10 -4.196 7.716 -1.255
70 HD1 HYP 10 HD2 HYP 10 -2.134 6.877 -3.347
71 H SER 11 H SER 11 -3.853 7.992 0.570
72 HA SER 11 HA SER 11 -2.974 7.362 3.276
73 HB2 SER 11 HB2 SER 11 -4.531 9.346 3.718
74 HB3 SER 11 HB1 SER 11 -2.972 9.663 2.935
75 HG SER 11 HG SER 11 -5.075 10.531 1.988
76 H MET 12 H MET 12 -4.850 5.779 1.288
77 HA MET 12 HA MET 12 -7.320 5.947 2.876
78 HB2 MET 12 HB2 MET 12 -6.843 4.713 0.182
79 HB3 MET 12 HB1 MET 12 -8.346 4.562 1.060
80 HG2 MET 12 HG2 MET 12 -8.635 6.986 0.977
81 HG3 MET 12 HG1 MET 12 -7.121 7.129 0.081
82 HE1 MET 12 HE1 MET 12 -9.868 7.870 -2.631
83 HE2 MET 12 HE2 MET 12 -8.442 8.490 -1.803
84 HE3 MET 12 3HE MET 12 -9.956 8.287 -0.923
85 H ARG 13 H ARG 13 -4.655 3.976 2.539
86 HA ARG 13 HA ARG 13 -4.168 1.796 2.821
87 HB2 ARG 13 HB2 ARG 13 -4.317 2.462 5.120
88 HB3 ARG 13 HB1 ARG 13 -6.067 2.292 5.082
89 HG2 ARG 13 HG2 ARG 13 -5.755 -0.169 4.753
90 HG3 ARG 13 HG1 ARG 13 -4.015 0.073 4.874
91 HD2 ARG 13 HD2 ARG 13 -6.017 0.692 7.041
92 HD3 ARG 13 HD1 ARG 13 -5.042 -0.768 6.954
93 HE ARG 13 HE ARG 13 -3.834 1.903 7.160
94 HH11 ARG 13 HH11 ARG 13 -4.060 -1.460 8.299
95 HH12 ARG 13 HH12 ARG 13 -2.843 -1.296 9.460
96 HH21 ARG 13 HH21 ARG 13 -2.177 2.122 8.813
97 HH22 ARG 13 HH22 ARG 13 -1.785 0.797 9.790
98 H ASP 14 H ASP 14 -5.105 1.210 0.830
99 HA ASP 14 HA ASP 14 -7.593 -0.296 1.017
100 HB2 ASP 14 HB2 ASP 14 -7.523 -0.207 -1.495
101 HB3 ASP 14 HB1 ASP 14 -7.639 1.367 -0.722
102 H CYS 15 H CYS 15 -4.561 -0.860 1.537
103 HA CYS 15 HA CYS 15 -4.275 -3.314 -0.013
104 HB2 CYS 15 HB2 CYS 15 -2.431 -2.214 2.095
105 HB3 CYS 15 HB1 CYS 15 -2.092 -3.475 0.926
106 H CYS 16 H CYS 16 -3.884 -5.315 1.004
107 HA CYS 16 HA CYS 16 -5.606 -5.890 3.173
108 HB2 CYS 16 HB2 CYS 16 -3.413 -7.505 1.913
109 HB3 CYS 16 HB1 CYS 16 -4.632 -8.135 3.012
110 H THR 17 H THR 17 -2.259 -5.139 2.928
111 HA THR 17 HA THR 17 -1.809 -5.613 5.754
112 HB THR 17 HB THR 17 0.525 -4.803 5.155
113 HG1 THR 17 HG1 THR 17 0.958 -4.769 2.877
114 HG21 THR 17 HG21 THR 17 -0.004 -7.212 5.216
115 HG22 THR 17 HG22 THR 17 1.148 -6.844 3.933
116 HG23 THR 17 HG23 THR 17 -0.548 -7.126 3.542
117 H THR 18 H THR 18 -0.532 -2.994 3.865
118 HA THR 18 HA THR 18 -2.310 -1.013 4.609
119 HB THR 18 HB THR 18 -1.145 -1.249 6.793
120 HG1 THR 18 HG1 THR 18 -0.730 0.967 7.006
121 HG21 THR 18 HG21 THR 18 1.058 -1.985 6.013
122 HG22 THR 18 HG22 THR 18 1.215 -0.539 7.008
123 HG23 THR 18 HG23 THR 18 1.323 -0.418 5.250
124 H CYS 19 H CYS 19 -1.157 1.138 3.977
125 HA CYS 19 HA CYS 19 0.080 0.604 1.349
126 HB2 CYS 19 HB2 CYS 19 -2.118 1.552 1.161
127 HB3 CYS 19 HB1 CYS 19 -1.748 2.796 2.346
128 H ILE 20 H ILE 20 2.085 1.232 1.172
129 HA ILE 20 HA ILE 20 3.423 2.877 3.074
130 HB ILE 20 HB ILE 20 4.285 1.960 0.313
131 HG12 ILE 20 HG12 ILE 20 4.583 0.570 2.993
132 HG13 ILE 20 HG11 ILE 20 3.682 0.036 1.610
133 HG21 ILE 20 HG21 ILE 20 5.875 2.910 2.675
134 HG22 ILE 20 HG22 ILE 20 5.644 3.762 1.147
135 HG23 ILE 20 HG23 ILE 20 6.564 2.255 1.188
136 HD11 ILE 20 HD11 ILE 20 6.676 0.301 1.651
137 HD12 ILE 20 HD12 ILE 20 5.695 -0.291 0.312
138 HD13 ILE 20 HD13 ILE 20 5.771 -1.202 1.822
139 H SER 21 H SER 21 2.733 4.943 3.056
140 HA SER 21 HA SER 21 1.474 6.240 0.919
141 HB2 SER 21 HB2 SER 21 1.142 6.768 3.316
142 HB3 SER 21 HB1 SER 21 2.764 7.450 3.374
143 HG SER 21 HG SER 21 1.651 8.676 1.398
144 H TYR 22 H TYR 22 4.795 5.868 1.629
145 HA TYR 22 HA TYR 22 5.936 8.169 0.462
146 HB2 TYR 22 HB2 TYR 22 6.962 6.478 2.037
147 HB3 TYR 22 HB1 TYR 22 7.102 5.410 0.668
148 HD1 TYR 22 HD1 TYR 22 8.927 5.589 -0.847
149 HD2 TYR 22 HD2 TYR 22 8.268 8.621 2.056
150 HE1 TYR 22 HE1 TYR 22 11.142 6.513 -1.322
151 HE2 TYR 22 HE2 TYR 22 10.478 9.561 1.585
152 HH TYR 22 HH TYR 22 12.630 8.763 0.688
153 H THR 23 H THR 23 5.657 4.864 -0.765
154 HA THR 23 HA THR 23 6.096 5.940 -3.476
155 HB THR 23 HB THR 23 7.906 4.450 -2.701
156 HG1 THR 23 HG1 THR 23 7.015 4.504 -4.963
157 HG21 THR 23 HG21 THR 23 7.498 2.025 -2.454
158 HG22 THR 23 HG22 THR 23 5.765 2.310 -2.624
159 HG23 THR 23 HG23 THR 23 6.634 2.967 -1.241
160 H LYS 24 H LYS 24 3.610 5.027 -1.692
161 HA LYS 24 HA LYS 24 1.556 4.299 -1.949
162 HB2 LYS 24 HB2 LYS 24 1.879 4.797 -4.903
163 HB3 LYS 24 HB1 LYS 24 0.391 4.610 -4.020
164 HG2 LYS 24 HG2 LYS 24 0.474 6.908 -4.319
165 HG3 LYS 24 HG1 LYS 24 1.120 6.704 -2.697
166 HD2 LYS 24 HD2 LYS 24 2.461 8.318 -3.929
167 HD3 LYS 24 HD1 LYS 24 3.416 6.861 -3.631
168 HE2 LYS 24 HE2 LYS 24 2.973 6.103 -5.916
169 HE3 LYS 24 HE1 LYS 24 1.964 7.518 -6.200
170 HZ1 LYS 24 HZ1 LYS 24 4.137 7.785 -7.131
171 HZ2 LYS 24 HZ2 LYS 24 4.890 7.523 -5.652
172 HZ3 LYS 24 HZ3 LYS 24 3.949 8.901 -5.884
173 H ARG 25 H ARG 25 3.134 2.261 -1.607
174 HA ARG 25 HA ARG 25 1.899 0.245 -3.333
175 HB2 ARG 25 HB2 ARG 25 4.726 0.083 -2.301
176 HB3 ARG 25 HB1 ARG 25 3.889 -1.191 -3.145
177 HG2 ARG 25 HG2 ARG 25 4.684 1.472 -4.307
178 HG3 ARG 25 HG1 ARG 25 5.415 -0.096 -4.663
179 HD2 ARG 25 HD2 ARG 25 3.091 -0.813 -5.493
180 HD3 ARG 25 HD1 ARG 25 2.659 0.866 -5.281
181 HE ARG 25 HE ARG 25 4.576 1.358 -6.803
182 HH11 ARG 25 HH11 ARG 25 2.584 -1.557 -7.148
183 HH12 ARG 25 HH12 ARG 25 2.781 -1.630 -8.845
184 HH21 ARG 25 HH21 ARG 25 4.825 1.220 -9.136
185 HH22 ARG 25 HH22 ARG 25 4.065 -0.074 -9.964
186 H CYS 26 H CYS 26 1.829 -1.880 -2.254
187 HA CYS 26 HA CYS 26 0.895 -1.412 0.432
188 HB2 CYS 26 HB2 CYS 26 0.779 -3.877 -1.289
189 HB3 CYS 26 HB1 CYS 26 -0.043 -3.653 0.253
190 H ARG 27 H ARG 27 1.702 -2.267 2.183
191 HA ARG 27 HA ARG 27 4.464 -2.891 2.301
192 HB2 ARG 27 HB2 ARG 27 2.881 -1.837 4.073
193 HB3 ARG 27 HB1 ARG 27 2.438 -3.478 4.412
194 HG2 ARG 27 HG2 ARG 27 4.720 -4.085 4.973
195 HG3 ARG 27 HG1 ARG 27 5.246 -2.435 4.638
196 HD2 ARG 27 HD2 ARG 27 3.787 -1.614 6.402
197 HD3 ARG 27 HD1 ARG 27 3.241 -3.246 6.747
198 HE ARG 27 HE ARG 27 6.047 -2.433 6.989
199 HH11 ARG 27 HH11 ARG 27 3.234 -4.141 8.328
200 HH12 ARG 27 HH12 ARG 27 3.949 -4.496 9.821
201 HH21 ARG 27 HH21 ARG 27 7.066 -2.956 9.056
202 HH22 ARG 27 HH22 ARG 27 6.188 -3.803 10.238
203 H LYS 28 H LYS 28 5.389 -4.887 2.926
204 HA LYS 28 HA LYS 28 3.841 -7.295 2.251
205 HB2 LYS 28 HB2 LYS 28 6.747 -7.030 2.967
206 HB3 LYS 28 HB1 LYS 28 5.921 -8.415 2.318
207 HG2 LYS 28 HG2 LYS 28 5.619 -7.344 0.180
208 HG3 LYS 28 HG1 LYS 28 6.299 -5.834 0.803
209 HD2 LYS 28 HD2 LYS 28 8.011 -6.991 -0.433
210 HD3 LYS 28 HD1 LYS 28 8.414 -7.054 1.283
211 HE2 LYS 28 HE2 LYS 28 7.262 -9.349 1.289
212 HE3 LYS 28 HE1 LYS 28 7.328 -9.245 -0.469
213 HZ1 LYS 28 HZ1 LYS 28 9.786 -8.944 -0.191
214 HZ2 LYS 28 HZ2 LYS 28 9.175 -10.433 0.276
215 HZ3 LYS 28 HZ3 LYS 28 9.553 -9.300 1.455
216 H TYR 29 H TYR 29 4.633 -9.152 3.633
217 HA TYR 29 HA TYR 29 4.189 -8.519 6.451
218 HB2 TYR 29 HB2 TYR 29 4.231 -11.121 4.892
219 HB3 TYR 29 HB1 TYR 29 4.075 -11.048 6.633
220 HD1 TYR 29 HD1 TYR 29 1.962 -10.503 7.648
221 HD2 TYR 29 HD2 TYR 29 2.394 -10.282 3.419
222 HE1 TYR 29 HE1 TYR 29 -0.464 -10.316 7.419
223 HE2 TYR 29 HE2 TYR 29 -0.031 -10.088 3.171
224 HH TYR 29 HH TYR 29 -2.075 -10.613 4.412
225 H TYR 30 H TYR 30 6.221 -10.571 4.439
226 HA TYR 30 HA TYR 30 8.582 -9.685 5.790
227 HB2 TYR 30 HB2 TYR 30 7.844 -12.565 5.198
228 HB3 TYR 30 HB1 TYR 30 9.454 -12.036 5.662
229 HD1 TYR 30 HD1 TYR 30 9.634 -10.841 7.953
230 HD2 TYR 30 HD2 TYR 30 6.310 -13.230 6.807
231 HE1 TYR 30 HE1 TYR 30 9.025 -11.110 10.309
232 HE2 TYR 30 HE2 TYR 30 5.692 -13.509 9.161
233 HH TYR 30 HH TYR 30 6.812 -13.393 11.395
Start of MODEL 6
1 H1 CYS 1 HT1 CYS 1 -8.518 -7.339 -0.566
2 H2 CYS 1 HT2 CYS 1 -9.307 -6.360 -1.658
3 H3 CYS 1 HT3 CYS 1 -9.734 -6.307 -0.025
4 HA CYS 1 HA CYS 1 -8.379 -4.415 -0.610
5 HB2 CYS 1 HB2 CYS 1 -6.430 -4.948 0.989
6 HB3 CYS 1 HB1 CYS 1 -8.061 -5.021 1.636
7 H LYS 2 H LYS 2 -5.991 -3.775 -0.981
8 HA LYS 2 HA LYS 2 -5.261 -5.077 -3.432
9 HB2 LYS 2 HB2 LYS 2 -3.820 -2.806 -2.033
10 HB3 LYS 2 HB1 LYS 2 -3.644 -3.284 -3.711
11 HG2 LYS 2 HG2 LYS 2 -6.095 -2.060 -2.435
12 HG3 LYS 2 HG1 LYS 2 -4.967 -1.297 -3.560
13 HD2 LYS 2 HD2 LYS 2 -5.718 -2.583 -5.374
14 HD3 LYS 2 HD1 LYS 2 -6.486 -3.772 -4.328
15 HE2 LYS 2 HE2 LYS 2 -8.179 -2.386 -5.389
16 HE3 LYS 2 HE1 LYS 2 -8.151 -2.111 -3.660
17 HZ1 LYS 2 HZ1 LYS 2 -6.953 -0.058 -4.012
18 HZ2 LYS 2 HZ2 LYS 2 -8.391 -0.076 -4.869
19 HZ3 LYS 2 HZ3 LYS 2 -6.927 -0.299 -5.686
20 HA PRO 3 HA PRO 3 -2.520 -7.956 -1.525
21 HB2 PRO 3 HB2 PRO 3 -1.229 -8.737 -3.810
22 HB3 PRO 3 HB1 PRO 3 -2.860 -9.274 -3.402
23 HG2 PRO 3 HG2 PRO 3 -1.993 -7.072 -5.231
24 HG3 PRO 3 HG1 PRO 3 -3.236 -8.311 -5.487
25 HD2 PRO 3 HD2 PRO 3 -3.859 -5.816 -4.759
26 HD3 PRO 3 HD1 PRO 3 -4.779 -7.212 -4.155
27 HA HYP 4 HA HYP 4 1.345 -5.907 -0.686
28 HB2 HYP 4 HB1 HYP 4 2.581 -7.503 0.366
29 HB3 HYP 4 HB2 HYP 4 2.965 -8.280 -1.174
30 HG HYP 4 HG HYP 4 1.632 -9.949 -0.251
31 HD22 HYP 4 HD11 HYP 4 -0.866 -9.155 -0.843
32 HD23 HYP 4 HD12 HYP 4 0.309 -9.377 -2.157
33 HD1 HYP 4 HD2 HYP 4 0.045 -9.573 1.169
34 H GLY 5 H GLY 5 2.561 -4.653 -1.944
35 HA2 GLY 5 HA2 GLY 5 4.040 -4.166 -3.674
36 HA3 GLY 5 HA1 GLY 5 3.600 -5.671 -4.457
37 H SER 6 H SER 6 0.668 -4.687 -3.880
38 HA SER 6 HA SER 6 0.295 -3.562 -6.428
39 HB2 SER 6 HB2 SER 6 -1.531 -4.702 -5.645
40 HB3 SER 6 HB1 SER 6 -1.583 -3.832 -4.070
41 HG SER 6 HG SER 6 -2.476 -2.129 -5.207
42 H LYS 7 H LYS 7 -0.894 -1.732 -6.568
43 HA LYS 7 HA LYS 7 0.597 0.506 -5.346
44 HB2 LYS 7 HB2 LYS 7 -0.487 2.019 -6.963
45 HB3 LYS 7 HB1 LYS 7 0.252 0.670 -7.806
46 HG2 LYS 7 HG2 LYS 7 -1.937 -0.376 -8.090
47 HG3 LYS 7 HG1 LYS 7 -2.679 0.921 -7.157
48 HD2 LYS 7 HD2 LYS 7 -2.019 2.546 -8.836
49 HD3 LYS 7 HD1 LYS 7 -1.198 1.291 -9.755
50 HE2 LYS 7 HE2 LYS 7 -3.379 1.784 -10.729
51 HE3 LYS 7 HE1 LYS 7 -3.345 0.142 -10.094
52 HZ1 LYS 7 HZ1 LYS 7 -4.552 0.960 -8.116
53 HZ2 LYS 7 HZ2 LYS 7 -5.399 1.247 -9.528
54 HZ3 LYS 7 HZ3 LYS 7 -4.610 2.506 -8.784
55 H CYS 8 H CYS 8 -0.407 2.040 -4.078
56 HA CYS 8 HA CYS 8 -3.148 1.289 -3.354
57 HB2 CYS 8 HB2 CYS 8 -2.575 2.096 -1.033
58 HB3 CYS 8 HB1 CYS 8 -1.992 0.517 -1.523
59 H SER 9 H SER 9 -4.332 2.921 -2.126
60 HA SER 9 HA SER 9 -3.980 5.435 -3.416
61 HB2 SER 9 HB2 SER 9 -6.109 4.449 -1.625
62 HB3 SER 9 HB1 SER 9 -6.176 5.722 -2.836
63 HG SER 9 HG SER 9 -6.079 2.932 -3.245
64 HA HYP 10 HA HYP 10 -1.710 6.884 0.059
65 HB2 HYP 10 HB1 HYP 10 -1.364 9.038 -0.566
66 HB3 HYP 10 HB2 HYP 10 -3.036 9.478 -0.190
67 HG HYP 10 HG HYP 10 -2.921 9.598 -2.633
68 HD22 HYP 10 HD11 HYP 10 -4.085 7.362 -3.151
69 HD23 HYP 10 HD12 HYP 10 -4.739 8.216 -1.725
70 HD1 HYP 10 HD2 HYP 10 -2.148 7.108 -2.962
71 H SER 11 H SER 11 -5.031 8.341 0.270
72 HA SER 11 HA SER 11 -4.726 8.334 3.121
73 HB2 SER 11 HB2 SER 11 -7.111 9.220 1.499
74 HB3 SER 11 HB1 SER 11 -6.657 9.698 3.133
75 HG SER 11 HG SER 11 -4.933 10.792 2.373
76 H MET 12 H MET 12 -5.923 6.155 0.833
77 HA MET 12 HA MET 12 -8.090 5.186 2.493
78 HB2 MET 12 HB2 MET 12 -6.997 3.913 -0.008
79 HB3 MET 12 HB1 MET 12 -8.446 3.434 0.837
80 HG2 MET 12 HG2 MET 12 -9.475 5.594 0.320
81 HG3 MET 12 HG1 MET 12 -8.022 6.059 -0.560
82 HE1 MET 12 HE1 MET 12 -10.837 6.220 -1.946
83 HE2 MET 12 HE2 MET 12 -10.482 5.489 -3.512
84 HE3 MET 12 3HE MET 12 -9.318 6.581 -2.766
85 H ARG 13 H ARG 13 -4.950 4.211 1.593
86 HA ARG 13 HA ARG 13 -3.514 2.546 2.277
87 HB2 ARG 13 HB2 ARG 13 -3.654 3.803 4.333
88 HB3 ARG 13 HB1 ARG 13 -5.184 3.056 4.720
89 HG2 ARG 13 HG2 ARG 13 -4.042 0.961 5.228
90 HG3 ARG 13 HG1 ARG 13 -2.509 1.643 4.672
91 HD2 ARG 13 HD2 ARG 13 -2.769 1.647 7.150
92 HD3 ARG 13 HD1 ARG 13 -2.494 3.238 6.450
93 HE ARG 13 HE ARG 13 -5.242 2.406 6.942
94 HH11 ARG 13 HH11 ARG 13 -2.477 4.379 7.939
95 HH12 ARG 13 HH12 ARG 13 -3.394 5.474 8.849
96 HH21 ARG 13 HH21 ARG 13 -6.526 3.972 8.249
97 HH22 ARG 13 HH22 ARG 13 -5.686 5.221 9.037
98 H ASP 14 H ASP 14 -5.410 1.760 0.693
99 HA ASP 14 HA ASP 14 -7.274 -0.171 1.589
100 HB2 ASP 14 HB2 ASP 14 -7.785 -0.313 -0.854
101 HB3 ASP 14 HB1 ASP 14 -7.944 1.287 -0.143
102 H CYS 15 H CYS 15 -4.310 -0.807 1.694
103 HA CYS 15 HA CYS 15 -4.183 -3.186 0.007
104 HB2 CYS 15 HB2 CYS 15 -2.180 -2.257 2.060
105 HB3 CYS 15 HB1 CYS 15 -1.963 -3.484 0.839
106 H CYS 16 H CYS 16 -3.621 -5.253 0.960
107 HA CYS 16 HA CYS 16 -5.312 -5.962 3.110
108 HB2 CYS 16 HB2 CYS 16 -3.080 -7.476 1.771
109 HB3 CYS 16 HB1 CYS 16 -4.254 -8.178 2.882
110 H THR 17 H THR 17 -1.912 -5.212 2.873
111 HA THR 17 HA THR 17 -1.502 -5.791 5.679
112 HB THR 17 HB THR 17 0.846 -4.940 5.068
113 HG1 THR 17 HG1 THR 17 1.198 -5.089 2.709
114 HG21 THR 17 HG21 THR 17 -0.230 -7.345 3.559
115 HG22 THR 17 HG22 THR 17 0.356 -7.358 5.223
116 HG23 THR 17 HG23 THR 17 1.470 -7.030 3.897
117 H THR 18 H THR 18 -0.310 -3.168 3.761
118 HA THR 18 HA THR 18 -2.012 -1.157 4.617
119 HB THR 18 HB THR 18 -0.739 -1.466 6.752
120 HG1 THR 18 HG1 THR 18 0.128 0.927 6.601
121 HG21 THR 18 HG21 THR 18 1.640 -0.550 5.125
122 HG22 THR 18 HG22 THR 18 1.414 -2.156 5.810
123 HG23 THR 18 HG23 THR 18 1.619 -0.767 6.877
124 H CYS 19 H CYS 19 -0.871 0.960 3.986
125 HA CYS 19 HA CYS 19 0.352 0.524 1.333
126 HB2 CYS 19 HB2 CYS 19 -1.799 1.598 1.260
127 HB3 CYS 19 HB1 CYS 19 -1.328 2.764 2.498
128 H ILE 20 H ILE 20 2.415 1.118 1.233
129 HA ILE 20 HA ILE 20 3.613 2.670 3.351
130 HB ILE 20 HB ILE 20 4.880 1.795 0.732
131 HG12 ILE 20 HG12 ILE 20 4.619 0.270 3.333
132 HG13 ILE 20 HG11 ILE 20 3.969 -0.172 1.783
133 HG21 ILE 20 HG21 ILE 20 6.105 3.491 2.001
134 HG22 ILE 20 HG22 ILE 20 6.979 1.957 2.000
135 HG23 ILE 20 HG23 ILE 20 6.075 2.459 3.429
136 HD11 ILE 20 HD11 ILE 20 6.916 -0.036 2.385
137 HD12 ILE 20 HD12 ILE 20 6.184 -0.532 0.860
138 HD13 ILE 20 HD13 ILE 20 5.950 -1.509 2.311
139 H SER 21 H SER 21 2.918 4.767 3.230
140 HA SER 21 HA SER 21 1.952 6.159 1.104
141 HB2 SER 21 HB2 SER 21 3.451 7.316 3.444
142 HB3 SER 21 HB1 SER 21 2.105 8.029 2.549
143 HG SER 21 HG SER 21 0.776 6.960 3.768
144 H TYR 22 H TYR 22 5.235 5.673 2.031
145 HA TYR 22 HA TYR 22 6.588 7.682 0.612
146 HB2 TYR 22 HB2 TYR 22 7.478 6.134 2.387
147 HB3 TYR 22 HB1 TYR 22 7.475 4.873 1.191
148 HD1 TYR 22 HD1 TYR 22 9.486 4.347 0.225
149 HD2 TYR 22 HD2 TYR 22 8.807 8.354 1.490
150 HE1 TYR 22 HE1 TYR 22 11.771 4.936 -0.433
151 HE2 TYR 22 HE2 TYR 22 11.085 8.951 0.825
152 HH TYR 22 HH TYR 22 13.244 7.761 0.558
153 H THR 23 H THR 23 5.985 4.336 -0.222
154 HA THR 23 HA THR 23 6.959 4.736 -2.948
155 HB THR 23 HB THR 23 6.015 2.164 -1.681
156 HG1 THR 23 HG1 THR 23 8.494 3.534 -1.575
157 HG21 THR 23 HG21 THR 23 6.420 2.129 -4.132
158 HG22 THR 23 HG22 THR 23 7.598 1.146 -3.263
159 HG23 THR 23 HG23 THR 23 8.050 2.740 -3.864
160 H LYS 24 H LYS 24 3.904 4.342 -1.305
161 HA LYS 24 HA LYS 24 1.786 4.093 -1.842
162 HB2 LYS 24 HB2 LYS 24 2.382 4.695 -4.730
163 HB3 LYS 24 HB1 LYS 24 0.879 4.759 -3.890
164 HG2 LYS 24 HG2 LYS 24 3.136 6.619 -3.250
165 HG3 LYS 24 HG1 LYS 24 1.727 7.035 -4.239
166 HD2 LYS 24 HD2 LYS 24 0.273 6.491 -2.308
167 HD3 LYS 24 HD1 LYS 24 1.716 6.178 -1.345
168 HE2 LYS 24 HE2 LYS 24 0.881 8.391 -0.891
169 HE3 LYS 24 HE1 LYS 24 2.443 8.487 -1.704
170 HZ1 LYS 24 HZ1 LYS 24 0.813 10.067 -2.568
171 HZ2 LYS 24 HZ2 LYS 24 -0.189 8.790 -3.041
172 HZ3 LYS 24 HZ3 LYS 24 1.322 8.996 -3.762
173 H ARG 25 H ARG 25 3.400 1.964 -1.745
174 HA ARG 25 HA ARG 25 1.873 0.170 -3.438
175 HB2 ARG 25 HB2 ARG 25 4.751 -0.200 -2.666
176 HB3 ARG 25 HB1 ARG 25 3.775 -1.408 -3.466
177 HG2 ARG 25 HG2 ARG 25 4.639 1.245 -4.610
178 HG3 ARG 25 HG1 ARG 25 5.238 -0.349 -5.081
179 HD2 ARG 25 HD2 ARG 25 2.760 -0.851 -5.690
180 HD3 ARG 25 HD1 ARG 25 2.550 0.862 -5.471
181 HE ARG 25 HE ARG 25 4.412 1.095 -7.171
182 HH11 ARG 25 HH11 ARG 25 2.086 -1.575 -7.257
183 HH12 ARG 25 HH12 ARG 25 1.941 -1.579 -8.950
184 HH21 ARG 25 HH21 ARG 25 4.300 1.010 -9.483
185 HH22 ARG 25 HH22 ARG 25 3.276 -0.111 -10.271
186 H CYS 26 H CYS 26 1.716 -1.940 -2.478
187 HA CYS 26 HA CYS 26 0.965 -1.615 0.258
188 HB2 CYS 26 HB2 CYS 26 0.719 -3.971 -1.597
189 HB3 CYS 26 HB1 CYS 26 -0.032 -3.831 -0.007
190 H ARG 27 H ARG 27 1.850 -2.466 1.928
191 HA ARG 27 HA ARG 27 4.592 -3.065 1.999
192 HB2 ARG 27 HB2 ARG 27 3.093 -2.079 3.789
193 HB3 ARG 27 HB1 ARG 27 2.511 -3.692 4.055
194 HG2 ARG 27 HG2 ARG 27 4.719 -4.470 4.676
195 HG3 ARG 27 HG1 ARG 27 5.371 -2.851 4.396
196 HD2 ARG 27 HD2 ARG 27 3.970 -1.959 6.149
197 HD3 ARG 27 HD1 ARG 27 3.228 -3.541 6.388
198 HE ARG 27 HE ARG 27 5.939 -3.868 6.652
199 HH11 ARG 27 HH11 ARG 27 3.370 -2.108 8.358
200 HH12 ARG 27 HH12 ARG 27 4.117 -2.229 9.876
201 HH21 ARG 27 HH21 ARG 27 6.944 -4.032 8.762
202 HH22 ARG 27 HH22 ARG 27 6.168 -3.353 10.112
203 H LYS 28 H LYS 28 5.634 -5.033 2.493
204 HA LYS 28 HA LYS 28 4.310 -7.477 1.615
205 HB2 LYS 28 HB2 LYS 28 7.061 -7.191 2.813
206 HB3 LYS 28 HB1 LYS 28 6.452 -8.458 1.786
207 HG2 LYS 28 HG2 LYS 28 6.414 -7.055 -0.135
208 HG3 LYS 28 HG1 LYS 28 6.822 -5.635 0.822
209 HD2 LYS 28 HD2 LYS 28 8.796 -6.384 -0.347
210 HD3 LYS 28 HD1 LYS 28 9.002 -6.698 1.367
211 HE2 LYS 28 HE2 LYS 28 9.794 -8.581 0.073
212 HE3 LYS 28 HE1 LYS 28 8.377 -9.041 1.003
213 HZ1 LYS 28 HZ1 LYS 28 8.302 -9.882 -1.276
214 HZ2 LYS 28 HZ2 LYS 28 8.370 -8.317 -1.876
215 HZ3 LYS 28 HZ3 LYS 28 7.029 -8.821 -0.996
216 H TYR 29 H TYR 29 4.878 -9.350 3.080
217 HA TYR 29 HA TYR 29 3.569 -8.902 5.556
218 HB2 TYR 29 HB2 TYR 29 4.924 -11.295 4.380
219 HB3 TYR 29 HB1 TYR 29 4.237 -11.333 5.994
220 HD1 TYR 29 HD1 TYR 29 1.706 -10.386 6.059
221 HD2 TYR 29 HD2 TYR 29 3.600 -12.026 2.619
222 HE1 TYR 29 HE1 TYR 29 -0.488 -10.845 5.075
223 HE2 TYR 29 HE2 TYR 29 1.403 -12.486 1.630
224 HH TYR 29 HH TYR 29 -0.923 -12.886 2.487
225 H TYR 30 H TYR 30 6.846 -10.002 4.842
226 HA TYR 30 HA TYR 30 7.654 -8.646 7.261
227 HB2 TYR 30 HB2 TYR 30 8.976 -11.018 5.934
228 HB3 TYR 30 HB1 TYR 30 9.572 -10.196 7.364
229 HD1 TYR 30 HD1 TYR 30 7.917 -10.159 9.411
230 HD2 TYR 30 HD2 TYR 30 7.630 -12.864 6.150
231 HE1 TYR 30 HE1 TYR 30 6.617 -11.703 10.810
232 HE2 TYR 30 HE2 TYR 30 6.333 -14.392 7.511
233 HH TYR 30 HH TYR 30 4.931 -13.582 10.428
Start of MODEL 7
1 H1 CYS 1 HT1 CYS 1 -9.397 -5.845 -1.147
2 H2 CYS 1 HT2 CYS 1 -9.635 -5.899 0.526
3 H3 CYS 1 HT3 CYS 1 -8.659 -7.051 -0.244
4 HA CYS 1 HA CYS 1 -8.083 -4.191 -0.100
5 HB2 CYS 1 HB2 CYS 1 -6.158 -5.038 1.288
6 HB3 CYS 1 HB1 CYS 1 -7.728 -5.062 2.063
7 H LYS 2 H LYS 2 -5.886 -3.763 -0.749
8 HA LYS 2 HA LYS 2 -5.252 -5.081 -3.213
9 HB2 LYS 2 HB2 LYS 2 -3.955 -2.764 -1.782
10 HB3 LYS 2 HB1 LYS 2 -3.361 -3.417 -3.293
11 HG2 LYS 2 HG2 LYS 2 -6.084 -2.217 -2.863
12 HG3 LYS 2 HG1 LYS 2 -4.700 -1.407 -3.597
13 HD2 LYS 2 HD2 LYS 2 -4.669 -3.154 -5.363
14 HD3 LYS 2 HD1 LYS 2 -6.128 -3.849 -4.655
15 HE2 LYS 2 HE2 LYS 2 -7.316 -1.747 -5.035
16 HE3 LYS 2 HE1 LYS 2 -5.860 -1.055 -5.742
17 HZ1 LYS 2 HZ1 LYS 2 -7.356 -3.383 -6.818
18 HZ2 LYS 2 HZ2 LYS 2 -5.945 -2.743 -7.467
19 HZ3 LYS 2 HZ3 LYS 2 -7.353 -1.818 -7.453
20 HA PRO 3 HA PRO 3 -2.297 -7.964 -1.505
21 HB2 PRO 3 HB2 PRO 3 -1.171 -7.908 -4.238
22 HB3 PRO 3 HB1 PRO 3 -1.809 -9.268 -3.315
23 HG2 PRO 3 HG2 PRO 3 -3.145 -8.261 -5.382
24 HG3 PRO 3 HG1 PRO 3 -3.988 -8.838 -3.932
25 HD2 PRO 3 HD2 PRO 3 -3.371 -6.034 -4.767
26 HD3 PRO 3 HD1 PRO 3 -4.834 -6.733 -4.032
27 HA HYP 4 HA HYP 4 1.557 -5.805 -0.760
28 HB2 HYP 4 HB1 HYP 4 3.171 -7.329 -0.268
29 HB3 HYP 4 HB2 HYP 4 2.937 -8.224 -1.775
30 HG HYP 4 HG HYP 4 1.920 -9.626 -0.129
31 HD22 HYP 4 HD11 HYP 4 -0.614 -8.816 -0.527
32 HD23 HYP 4 HD12 HYP 4 0.352 -9.346 -1.922
33 HD1 HYP 4 HD2 HYP 4 1.573 -7.306 1.126
34 H GLY 5 H GLY 5 2.817 -4.479 -1.917
35 HA2 GLY 5 HA2 GLY 5 4.148 -3.769 -3.629
36 HA3 GLY 5 HA1 GLY 5 3.795 -5.260 -4.485
37 H SER 6 H SER 6 0.820 -4.459 -3.875
38 HA SER 6 HA SER 6 0.392 -3.220 -6.366
39 HB2 SER 6 HB2 SER 6 -1.384 -4.453 -5.673
40 HB3 SER 6 HB1 SER 6 -1.457 -3.710 -4.031
41 HG SER 6 HG SER 6 -2.384 -1.895 -5.088
42 H LYS 7 H LYS 7 -0.878 -1.428 -6.407
43 HA LYS 7 HA LYS 7 0.666 0.804 -5.276
44 HB2 LYS 7 HB2 LYS 7 -0.048 0.795 -7.701
45 HB3 LYS 7 HB1 LYS 7 -1.717 0.906 -7.170
46 HG2 LYS 7 HG2 LYS 7 -1.027 3.057 -7.874
47 HG3 LYS 7 HG1 LYS 7 -1.138 3.101 -6.111
48 HD2 LYS 7 HD2 LYS 7 1.287 2.809 -5.966
49 HD3 LYS 7 HD1 LYS 7 1.386 2.744 -7.727
50 HE2 LYS 7 HE2 LYS 7 0.437 5.076 -6.074
51 HE3 LYS 7 HE1 LYS 7 1.991 4.951 -6.888
52 HZ1 LYS 7 HZ1 LYS 7 0.499 6.275 -8.165
53 HZ2 LYS 7 HZ2 LYS 7 -0.678 5.080 -8.219
54 HZ3 LYS 7 HZ3 LYS 7 0.780 4.858 -9.020
55 H CYS 8 H CYS 8 -0.206 2.151 -3.694
56 HA CYS 8 HA CYS 8 -2.870 1.339 -2.780
57 HB2 CYS 8 HB2 CYS 8 -2.191 2.300 -0.552
58 HB3 CYS 8 HB1 CYS 8 -1.524 0.751 -1.010
59 H SER 9 H SER 9 -4.148 2.883 -1.638
60 HA SER 9 HA SER 9 -4.071 5.376 -3.012
61 HB2 SER 9 HB2 SER 9 -6.281 5.500 -2.013
62 HB3 SER 9 HB1 SER 9 -6.091 4.176 -3.191
63 HG SER 9 HG SER 9 -6.273 2.734 -1.530
64 HA HYP 10 HA HYP 10 -2.917 7.134 0.915
65 HB2 HYP 10 HB1 HYP 10 -2.158 9.151 0.152
66 HB3 HYP 10 HB2 HYP 10 -3.809 9.774 0.050
67 HG HYP 10 HG HYP 10 -3.167 9.679 -2.270
68 HD22 HYP 10 HD11 HYP 10 -4.132 7.348 -2.941
69 HD23 HYP 10 HD12 HYP 10 -5.186 8.347 -1.906
70 HD1 HYP 10 HD2 HYP 10 -2.341 7.219 -2.399
71 H SER 11 H SER 11 -6.059 7.587 -0.376
72 HA SER 11 HA SER 11 -7.175 8.787 1.979
73 HB2 SER 11 HB2 SER 11 -8.548 7.738 -0.478
74 HB3 SER 11 HB1 SER 11 -9.166 8.930 0.667
75 HG SER 11 HG SER 11 -8.293 9.844 -1.264
76 H MET 12 H MET 12 -7.365 5.646 0.271
77 HA MET 12 HA MET 12 -9.099 4.673 2.386
78 HB2 MET 12 HB2 MET 12 -8.316 3.382 -0.215
79 HB3 MET 12 HB1 MET 12 -9.358 2.632 0.982
80 HG2 MET 12 HG2 MET 12 -10.978 4.447 0.692
81 HG3 MET 12 HG1 MET 12 -9.926 5.177 -0.520
82 HE1 MET 12 HE1 MET 12 -8.845 2.550 -2.079
83 HE2 MET 12 HE2 MET 12 -9.369 4.022 -2.890
84 HE3 MET 12 3HE MET 12 -10.023 2.466 -3.386
85 H ARG 13 H ARG 13 -5.965 4.206 1.152
86 HA ARG 13 HA ARG 13 -4.169 2.852 1.727
87 HB2 ARG 13 HB2 ARG 13 -4.355 4.271 3.699
88 HB3 ARG 13 HB1 ARG 13 -5.607 3.228 4.340
89 HG2 ARG 13 HG2 ARG 13 -3.847 1.431 4.560
90 HG3 ARG 13 HG1 ARG 13 -2.648 2.623 4.054
91 HD2 ARG 13 HD2 ARG 13 -2.747 2.386 6.495
92 HD3 ARG 13 HD1 ARG 13 -3.180 4.007 5.971
93 HE ARG 13 HE ARG 13 -5.519 2.556 6.128
94 HH11 ARG 13 HH11 ARG 13 -3.021 3.617 8.383
95 HH12 ARG 13 HH12 ARG 13 -4.068 3.788 9.712
96 HH21 ARG 13 HH21 ARG 13 -7.004 2.843 7.932
97 HH22 ARG 13 HH22 ARG 13 -6.399 3.348 9.430
98 H ASP 14 H ASP 14 -6.008 1.530 0.471
99 HA ASP 14 HA ASP 14 -7.454 -0.445 1.920
100 HB2 ASP 14 HB2 ASP 14 -8.352 -1.020 -0.246
101 HB3 ASP 14 HB1 ASP 14 -8.491 0.706 0.082
102 H CYS 15 H CYS 15 -4.576 -0.782 1.942
103 HA CYS 15 HA CYS 15 -4.068 -3.150 0.305
104 HB2 CYS 15 HB2 CYS 15 -2.298 -2.048 2.485
105 HB3 CYS 15 HB1 CYS 15 -1.885 -3.194 1.252
106 H CYS 16 H CYS 16 -3.511 -5.196 1.214
107 HA CYS 16 HA CYS 16 -5.168 -5.985 3.362
108 HB2 CYS 16 HB2 CYS 16 -2.882 -7.413 2.024
109 HB3 CYS 16 HB1 CYS 16 -4.034 -8.157 3.123
110 H THR 17 H THR 17 -1.858 -5.029 3.158
111 HA THR 17 HA THR 17 -1.467 -5.612 5.993
112 HB THR 17 HB THR 17 0.949 -4.996 5.409
113 HG1 THR 17 HG1 THR 17 1.302 -5.278 3.024
114 HG21 THR 17 HG21 THR 17 0.219 -7.350 5.635
115 HG22 THR 17 HG22 THR 17 1.410 -7.184 4.346
116 HG23 THR 17 HG23 THR 17 -0.300 -7.344 3.949
117 H THR 18 H THR 18 0.018 -3.163 4.022
118 HA THR 18 HA THR 18 -1.478 -0.989 4.989
119 HB THR 18 HB THR 18 -0.104 -1.427 6.997
120 HG1 THR 18 HG1 THR 18 0.157 0.642 7.289
121 HG21 THR 18 HG21 THR 18 2.272 -0.921 5.190
122 HG22 THR 18 HG22 THR 18 1.845 -2.461 5.931
123 HG23 THR 18 HG23 THR 18 2.334 -1.099 6.944
124 H CYS 19 H CYS 19 -0.098 1.034 4.373
125 HA CYS 19 HA CYS 19 0.762 0.611 1.580
126 HB2 CYS 19 HB2 CYS 19 -1.303 1.754 1.640
127 HB3 CYS 19 HB1 CYS 19 -0.790 2.829 2.936
128 H ILE 20 H ILE 20 2.849 0.893 1.373
129 HA ILE 20 HA ILE 20 4.506 2.299 3.229
130 HB ILE 20 HB ILE 20 5.129 1.358 0.403
131 HG12 ILE 20 HG12 ILE 20 5.323 -0.147 3.020
132 HG13 ILE 20 HG11 ILE 20 4.264 -0.502 1.683
133 HG21 ILE 20 HG21 ILE 20 6.945 1.906 2.757
134 HG22 ILE 20 HG22 ILE 20 6.780 2.906 1.308
135 HG23 ILE 20 HG23 ILE 20 7.459 1.285 1.186
136 HD11 ILE 20 HD11 ILE 20 7.266 -0.680 1.547
137 HD12 ILE 20 HD12 ILE 20 6.130 -1.096 0.263
138 HD13 ILE 20 HD13 ILE 20 6.166 -2.042 1.752
139 H SER 21 H SER 21 4.431 4.484 3.240
140 HA SER 21 HA SER 21 3.056 5.840 1.178
141 HB2 SER 21 HB2 SER 21 4.509 6.959 3.559
142 HB3 SER 21 HB1 SER 21 3.310 7.800 2.568
143 HG SER 21 HG SER 21 2.400 5.413 3.327
144 H TYR 22 H TYR 22 6.347 5.049 1.454
145 HA TYR 22 HA TYR 22 7.319 7.335 -0.000
146 HB2 TYR 22 HB2 TYR 22 8.717 5.844 1.525
147 HB3 TYR 22 HB1 TYR 22 8.659 4.652 0.252
148 HD1 TYR 22 HD1 TYR 22 9.824 8.086 0.979
149 HD2 TYR 22 HD2 TYR 22 10.092 4.756 -1.649
150 HE1 TYR 22 HE1 TYR 22 11.715 9.147 -0.163
151 HE2 TYR 22 HE2 TYR 22 11.980 5.806 -2.799
152 HH TYR 22 HH TYR 22 12.888 8.025 -3.146
153 H THR 23 H THR 23 6.893 3.925 -0.785
154 HA THR 23 HA THR 23 7.322 4.418 -3.606
155 HB THR 23 HB THR 23 6.952 1.928 -3.777
156 HG1 THR 23 HG1 THR 23 6.813 0.801 -1.818
157 HG21 THR 23 HG21 THR 23 9.203 2.917 -3.480
158 HG22 THR 23 HG22 THR 23 9.049 1.352 -2.682
159 HG23 THR 23 HG23 THR 23 8.980 2.836 -1.731
160 H LYS 24 H LYS 24 4.696 4.312 -1.489
161 HA LYS 24 HA LYS 24 2.477 4.359 -1.618
162 HB2 LYS 24 HB2 LYS 24 2.588 4.725 -4.594
163 HB3 LYS 24 HB1 LYS 24 1.361 5.202 -3.482
164 HG2 LYS 24 HG2 LYS 24 4.075 6.522 -3.575
165 HG3 LYS 24 HG1 LYS 24 2.582 7.191 -4.228
166 HD2 LYS 24 HD2 LYS 24 3.027 6.496 -1.318
167 HD3 LYS 24 HD1 LYS 24 3.204 8.109 -1.995
168 HE2 LYS 24 HE2 LYS 24 0.657 6.487 -2.077
169 HE3 LYS 24 HE1 LYS 24 1.021 7.698 -0.864
170 HZ1 LYS 24 HZ1 LYS 24 1.074 9.387 -2.523
171 HZ2 LYS 24 HZ2 LYS 24 -0.372 8.520 -2.691
172 HZ3 LYS 24 HZ3 LYS 24 0.879 8.276 -3.782
173 H ARG 25 H ARG 25 3.854 1.982 -1.763
174 HA ARG 25 HA ARG 25 1.970 0.384 -3.332
175 HB2 ARG 25 HB2 ARG 25 4.779 -0.331 -2.588
176 HB3 ARG 25 HB1 ARG 25 3.683 -1.362 -3.487
177 HG2 ARG 25 HG2 ARG 25 4.913 1.237 -4.385
178 HG3 ARG 25 HG1 ARG 25 5.281 -0.380 -4.990
179 HD2 ARG 25 HD2 ARG 25 2.874 -0.520 -5.750
180 HD3 ARG 25 HD1 ARG 25 2.727 1.148 -5.249
181 HE ARG 25 HE ARG 25 4.769 1.420 -6.808
182 HH11 ARG 25 HH11 ARG 25 1.909 -0.601 -7.433
183 HH12 ARG 25 HH12 ARG 25 1.871 -0.262 -9.098
184 HH21 ARG 25 HH21 ARG 25 4.687 1.880 -9.091
185 HH22 ARG 25 HH22 ARG 25 3.460 1.197 -10.054
186 H CYS 26 H CYS 26 1.637 -1.754 -2.369
187 HA CYS 26 HA CYS 26 1.078 -1.390 0.430
188 HB2 CYS 26 HB2 CYS 26 0.440 -3.673 -1.440
189 HB3 CYS 26 HB1 CYS 26 -0.157 -3.510 0.206
190 H ARG 27 H ARG 27 1.888 -2.605 2.031
191 HA ARG 27 HA ARG 27 4.585 -3.477 1.710
192 HB2 ARG 27 HB2 ARG 27 3.539 -2.427 3.795
193 HB3 ARG 27 HB1 ARG 27 2.792 -3.971 4.068
194 HG2 ARG 27 HG2 ARG 27 4.931 -5.091 4.231
195 HG3 ARG 27 HG1 ARG 27 5.757 -3.573 3.891
196 HD2 ARG 27 HD2 ARG 27 4.954 -2.633 5.947
197 HD3 ARG 27 HD1 ARG 27 3.997 -4.079 6.277
198 HE ARG 27 HE ARG 27 6.332 -5.202 6.095
199 HH11 ARG 27 HH11 ARG 27 5.733 -2.039 7.578
200 HH12 ARG 27 HH12 ARG 27 6.917 -2.217 8.774
201 HH21 ARG 27 HH21 ARG 27 7.908 -5.450 7.704
202 HH22 ARG 27 HH22 ARG 27 8.243 -4.212 8.841
203 H LYS 28 H LYS 28 5.415 -5.572 2.115
204 HA LYS 28 HA LYS 28 3.710 -7.855 1.390
205 HB2 LYS 28 HB2 LYS 28 6.636 -7.653 2.084
206 HB3 LYS 28 HB1 LYS 28 5.828 -9.069 1.475
207 HG2 LYS 28 HG2 LYS 28 5.339 -7.853 -0.625
208 HG3 LYS 28 HG1 LYS 28 6.289 -6.497 -0.014
209 HD2 LYS 28 HD2 LYS 28 8.244 -7.948 0.163
210 HD3 LYS 28 HD1 LYS 28 7.296 -9.306 -0.447
211 HE2 LYS 28 HE2 LYS 28 6.895 -8.050 -2.531
212 HE3 LYS 28 HE1 LYS 28 7.904 -6.748 -1.911
213 HZ1 LYS 28 HZ1 LYS 28 8.807 -9.526 -2.439
214 HZ2 LYS 28 HZ2 LYS 28 9.775 -8.289 -1.843
215 HZ3 LYS 28 HZ3 LYS 28 9.135 -8.187 -3.397
216 H TYR 29 H TYR 29 4.536 -9.778 2.707
217 HA TYR 29 HA TYR 29 3.424 -9.498 5.295
218 HB2 TYR 29 HB2 TYR 29 5.026 -11.627 3.958
219 HB3 TYR 29 HB1 TYR 29 4.597 -11.770 5.653
220 HD1 TYR 29 HD1 TYR 29 3.594 -12.458 2.316
221 HD2 TYR 29 HD2 TYR 29 1.983 -11.445 6.123
222 HE1 TYR 29 HE1 TYR 29 1.406 -13.275 1.596
223 HE2 TYR 29 HE2 TYR 29 -0.212 -12.269 5.425
224 HH TYR 29 HH TYR 29 -1.456 -12.634 3.284
225 H TYR 30 H TYR 30 6.609 -9.793 4.114
226 HA TYR 30 HA TYR 30 8.207 -9.346 6.343
227 HB2 TYR 30 HB2 TYR 30 8.608 -8.288 3.535
228 HB3 TYR 30 HB1 TYR 30 9.835 -8.255 4.791
229 HD1 TYR 30 HD1 TYR 30 8.098 -10.316 2.333
230 HD2 TYR 30 HD2 TYR 30 10.868 -10.341 5.557
231 HE1 TYR 30 HE1 TYR 30 8.880 -12.545 1.644
232 HE2 TYR 30 HE2 TYR 30 11.653 -12.545 4.883
233 HH TYR 30 HH TYR 30 10.805 -14.488 3.621
Start of MODEL 8
1 H1 CYS 1 HT1 CYS 1 -8.268 -7.881 -0.475
2 H2 CYS 1 HT2 CYS 1 -9.191 -6.915 -1.487
3 H3 CYS 1 HT3 CYS 1 -9.520 -6.947 0.177
4 HA CYS 1 HA CYS 1 -8.358 -4.947 -0.444
5 HB2 CYS 1 HB2 CYS 1 -6.329 -5.312 1.061
6 HB3 CYS 1 HB1 CYS 1 -7.905 -5.618 1.770
7 H LYS 2 H LYS 2 -6.136 -4.082 -0.954
8 HA LYS 2 HA LYS 2 -5.211 -5.329 -3.379
9 HB2 LYS 2 HB2 LYS 2 -4.126 -2.894 -1.917
10 HB3 LYS 2 HB1 LYS 2 -3.477 -3.525 -3.399
11 HG2 LYS 2 HG2 LYS 2 -5.502 -3.035 -4.593
12 HG3 LYS 2 HG1 LYS 2 -6.287 -2.505 -3.100
13 HD2 LYS 2 HD2 LYS 2 -4.778 -0.672 -2.864
14 HD3 LYS 2 HD1 LYS 2 -3.771 -1.259 -4.187
15 HE2 LYS 2 HE2 LYS 2 -5.182 0.661 -4.833
16 HE3 LYS 2 HE1 LYS 2 -5.534 -0.785 -5.774
17 HZ1 LYS 2 HZ1 LYS 2 -7.124 -0.046 -3.389
18 HZ2 LYS 2 HZ2 LYS 2 -7.539 -1.097 -4.637
19 HZ3 LYS 2 HZ3 LYS 2 -7.471 0.555 -4.922
20 HA PRO 3 HA PRO 3 -2.267 -7.900 -1.392
21 HB2 PRO 3 HB2 PRO 3 -0.818 -8.621 -3.573
22 HB3 PRO 3 HB1 PRO 3 -2.442 -9.249 -3.267
23 HG2 PRO 3 HG2 PRO 3 -1.586 -7.014 -5.068
24 HG3 PRO 3 HG1 PRO 3 -2.741 -8.323 -5.381
25 HD2 PRO 3 HD2 PRO 3 -3.523 -5.836 -4.688
26 HD3 PRO 3 HD1 PRO 3 -4.429 -7.286 -4.211
27 HA HYP 4 HA HYP 4 1.347 -5.462 -0.530
28 HB2 HYP 4 HB1 HYP 4 2.864 -6.846 0.495
29 HB3 HYP 4 HB2 HYP 4 2.813 -8.054 -0.804
30 HG HYP 4 HG HYP 4 1.505 -8.998 0.990
31 HD22 HYP 4 HD11 HYP 4 -0.883 -8.346 -0.002
32 HD23 HYP 4 HD12 HYP 4 0.280 -9.171 -1.073
33 HD1 HYP 4 HD2 HYP 4 1.290 -6.628 1.764
34 H GLY 5 H GLY 5 2.538 -4.254 -1.826
35 HA2 GLY 5 HA2 GLY 5 4.159 -3.895 -3.465
36 HA3 GLY 5 HA1 GLY 5 3.747 -5.443 -4.182
37 H SER 6 H SER 6 0.810 -4.504 -3.854
38 HA SER 6 HA SER 6 0.560 -3.494 -6.479
39 HB2 SER 6 HB2 SER 6 -1.312 -4.616 -5.704
40 HB3 SER 6 HB1 SER 6 -1.481 -3.594 -4.233
41 HG SER 6 HG SER 6 -2.265 -1.987 -5.627
42 H LYS 7 H LYS 7 -0.563 -1.707 -6.819
43 HA LYS 7 HA LYS 7 0.770 0.561 -5.482
44 HB2 LYS 7 HB2 LYS 7 0.359 2.024 -7.360
45 HB3 LYS 7 HB1 LYS 7 0.954 0.519 -8.008
46 HG2 LYS 7 HG2 LYS 7 -1.946 1.343 -7.973
47 HG3 LYS 7 HG1 LYS 7 -0.856 1.592 -9.332
48 HD2 LYS 7 HD2 LYS 7 -0.521 -0.875 -9.404
49 HD3 LYS 7 HD1 LYS 7 -1.772 -1.032 -8.164
50 HE2 LYS 7 HE2 LYS 7 -2.113 0.204 -10.892
51 HE3 LYS 7 HE1 LYS 7 -2.666 -1.397 -10.416
52 HZ1 LYS 7 HZ1 LYS 7 -3.646 1.195 -9.311
53 HZ2 LYS 7 HZ2 LYS 7 -4.180 -0.324 -8.815
54 HZ3 LYS 7 HZ3 LYS 7 -4.436 0.184 -10.398
55 H CYS 8 H CYS 8 -0.351 2.157 -4.445
56 HA CYS 8 HA CYS 8 -3.256 1.813 -4.339
57 HB2 CYS 8 HB2 CYS 8 -3.031 1.986 -1.840
58 HB3 CYS 8 HB1 CYS 8 -2.674 0.441 -2.593
59 H SER 9 H SER 9 -4.279 3.455 -2.970
60 HA SER 9 HA SER 9 -3.051 5.978 -3.323
61 HB2 SER 9 HB2 SER 9 -5.731 5.132 -2.305
62 HB3 SER 9 HB1 SER 9 -5.176 6.744 -2.769
63 HG SER 9 HG SER 9 -6.324 4.995 -4.314
64 HA HYP 10 HA HYP 10 -1.475 5.346 0.755
65 HB2 HYP 10 HB1 HYP 10 0.281 6.730 0.494
66 HB3 HYP 10 HB2 HYP 10 -0.728 8.139 0.862
67 HG HYP 10 HG HYP 10 -0.183 8.468 -1.502
68 HD22 HYP 10 HD11 HYP 10 -2.347 7.562 -2.555
69 HD23 HYP 10 HD12 HYP 10 -2.609 8.419 -1.009
70 HD1 HYP 10 HD2 HYP 10 -0.946 5.867 -1.949
71 H SER 11 H SER 11 -4.267 7.116 0.375
72 HA SER 11 HA SER 11 -4.445 7.509 3.266
73 HB2 SER 11 HB2 SER 11 -6.177 9.279 2.582
74 HB3 SER 11 HB1 SER 11 -4.473 9.669 2.326
75 HG SER 11 HG SER 11 -6.462 9.433 0.514
76 H MET 12 H MET 12 -5.279 5.372 1.038
77 HA MET 12 HA MET 12 -8.075 5.252 1.852
78 HB2 MET 12 HB2 MET 12 -6.726 3.964 -0.510
79 HB3 MET 12 HB1 MET 12 -8.385 3.611 -0.041
80 HG2 MET 12 HG2 MET 12 -8.994 5.944 -0.352
81 HG3 MET 12 HG1 MET 12 -7.330 6.338 -0.768
82 HE1 MET 12 HE1 MET 12 -8.185 7.544 -2.965
83 HE2 MET 12 HE2 MET 12 -9.853 7.135 -2.558
84 HE3 MET 12 3HE MET 12 -9.225 6.777 -4.165
85 H ARG 13 H ARG 13 -5.152 3.682 2.245
86 HA ARG 13 HA ARG 13 -4.409 1.870 3.414
87 HB2 ARG 13 HB2 ARG 13 -5.353 3.477 5.016
88 HB3 ARG 13 HB1 ARG 13 -6.864 2.606 4.945
89 HG2 ARG 13 HG2 ARG 13 -5.605 0.621 5.897
90 HG3 ARG 13 HG1 ARG 13 -4.215 1.691 6.090
91 HD2 ARG 13 HD2 ARG 13 -5.398 1.574 8.197
92 HD3 ARG 13 HD1 ARG 13 -5.621 3.176 7.502
93 HE ARG 13 HE ARG 13 -7.785 2.112 6.597
94 HH11 ARG 13 HH11 ARG 13 -6.434 1.620 9.835
95 HH12 ARG 13 HH12 ARG 13 -7.903 1.140 10.536
96 HH21 ARG 13 HH21 ARG 13 -9.787 1.529 7.530
97 HH22 ARG 13 HH22 ARG 13 -9.917 1.101 9.166
98 H ASP 14 H ASP 14 -6.149 1.124 1.209
99 HA ASP 14 HA ASP 14 -7.843 -0.977 2.295
100 HB2 ASP 14 HB2 ASP 14 -8.823 -1.129 0.140
101 HB3 ASP 14 HB1 ASP 14 -8.732 0.576 0.577
102 H CYS 15 H CYS 15 -4.806 -0.876 1.799
103 HA CYS 15 HA CYS 15 -4.387 -3.301 0.282
104 HB2 CYS 15 HB2 CYS 15 -2.469 -1.943 2.177
105 HB3 CYS 15 HB1 CYS 15 -2.095 -3.199 1.045
106 H CYS 16 H CYS 16 -3.734 -5.253 1.165
107 HA CYS 16 HA CYS 16 -5.151 -6.188 3.348
108 HB2 CYS 16 HB2 CYS 16 -2.654 -7.278 2.099
109 HB3 CYS 16 HB1 CYS 16 -3.773 -8.169 3.120
110 H THR 17 H THR 17 -1.979 -4.812 3.216
111 HA THR 17 HA THR 17 -1.600 -5.291 6.075
112 HB THR 17 HB THR 17 0.733 -4.390 5.488
113 HG1 THR 17 HG1 THR 17 1.168 -4.785 3.161
114 HG21 THR 17 HG21 THR 17 1.470 -6.579 4.600
115 HG22 THR 17 HG22 THR 17 -0.203 -6.977 4.206
116 HG23 THR 17 HG23 THR 17 0.287 -6.790 5.890
117 H THR 18 H THR 18 -0.451 -2.786 3.960
118 HA THR 18 HA THR 18 -2.250 -0.768 4.641
119 HB THR 18 HB THR 18 -0.958 -0.875 6.795
120 HG1 THR 18 HG1 THR 18 -1.290 1.189 6.895
121 HG21 THR 18 HG21 THR 18 1.373 -0.034 6.848
122 HG22 THR 18 HG22 THR 18 1.381 0.012 5.086
123 HG23 THR 18 HG23 THR 18 1.242 -1.532 5.925
124 H CYS 19 H CYS 19 -1.199 1.370 3.769
125 HA CYS 19 HA CYS 19 0.158 0.618 1.275
126 HB2 CYS 19 HB2 CYS 19 -2.074 1.507 0.950
127 HB3 CYS 19 HB1 CYS 19 -1.681 2.959 1.871
128 H ILE 20 H ILE 20 2.159 1.202 1.173
129 HA ILE 20 HA ILE 20 3.424 2.857 3.116
130 HB ILE 20 HB ILE 20 4.515 1.892 0.455
131 HG12 ILE 20 HG12 ILE 20 4.509 0.524 3.151
132 HG13 ILE 20 HG11 ILE 20 3.705 -0.012 1.699
133 HG21 ILE 20 HG21 ILE 20 6.701 2.123 1.539
134 HG22 ILE 20 HG22 ILE 20 5.905 2.703 3.002
135 HG23 ILE 20 HG23 ILE 20 5.823 3.656 1.521
136 HD11 ILE 20 HD11 ILE 20 6.697 0.200 1.983
137 HD12 ILE 20 HD12 ILE 20 5.819 -0.423 0.584
138 HD13 ILE 20 HD13 ILE 20 5.770 -1.290 2.119
139 H SER 21 H SER 21 3.153 4.990 3.036
140 HA SER 21 HA SER 21 2.190 6.354 0.776
141 HB2 SER 21 HB2 SER 21 1.739 7.038 3.113
142 HB3 SER 21 HB1 SER 21 3.430 7.498 3.290
143 HG SER 21 HG SER 21 3.046 9.265 2.307
144 H TYR 22 H TYR 22 5.359 5.535 1.721
145 HA TYR 22 HA TYR 22 6.779 7.569 0.295
146 HB2 TYR 22 HB2 TYR 22 7.681 6.211 2.177
147 HB3 TYR 22 HB1 TYR 22 7.625 4.813 1.147
148 HD1 TYR 22 HD1 TYR 22 9.107 8.231 1.147
149 HD2 TYR 22 HD2 TYR 22 9.536 4.154 0.030
150 HE1 TYR 22 HE1 TYR 22 11.365 8.696 0.360
151 HE2 TYR 22 HE2 TYR 22 11.810 4.605 -0.772
152 HH TYR 22 HH TYR 22 13.404 7.588 -0.095
153 H THR 23 H THR 23 6.237 4.153 -0.266
154 HA THR 23 HA THR 23 7.328 4.257 -2.940
155 HB THR 23 HB THR 23 6.062 1.865 -1.633
156 HG1 THR 23 HG1 THR 23 8.652 1.950 -1.072
157 HG21 THR 23 HG21 THR 23 7.877 0.693 -2.829
158 HG22 THR 23 HG22 THR 23 8.483 2.238 -3.422
159 HG23 THR 23 HG23 THR 23 6.910 1.651 -3.950
160 H LYS 24 H LYS 24 4.240 4.481 -1.511
161 HA LYS 24 HA LYS 24 2.129 4.633 -2.187
162 HB2 LYS 24 HB2 LYS 24 2.743 4.420 -5.104
163 HB3 LYS 24 HB1 LYS 24 1.550 5.364 -4.286
164 HG2 LYS 24 HG2 LYS 24 4.479 6.066 -4.280
165 HG3 LYS 24 HG1 LYS 24 3.253 6.817 -5.295
166 HD2 LYS 24 HD2 LYS 24 2.119 7.677 -3.333
167 HD3 LYS 24 HD1 LYS 24 3.256 6.829 -2.281
168 HE2 LYS 24 HE2 LYS 24 5.088 8.116 -3.150
169 HE3 LYS 24 HE1 LYS 24 4.028 8.950 -4.278
170 HZ1 LYS 24 HZ1 LYS 24 3.921 9.058 -1.326
171 HZ2 LYS 24 HZ2 LYS 24 2.840 9.850 -2.327
172 HZ3 LYS 24 HZ3 LYS 24 4.484 10.289 -2.334
173 H ARG 25 H ARG 25 3.444 2.165 -1.808
174 HA ARG 25 HA ARG 25 1.859 0.365 -3.500
175 HB2 ARG 25 HB2 ARG 25 4.654 -0.152 -2.496
176 HB3 ARG 25 HB1 ARG 25 3.662 -1.295 -3.369
177 HG2 ARG 25 HG2 ARG 25 4.787 1.284 -4.453
178 HG3 ARG 25 HG1 ARG 25 5.308 -0.353 -4.866
179 HD2 ARG 25 HD2 ARG 25 2.922 -0.747 -5.663
180 HD3 ARG 25 HD1 ARG 25 2.700 0.974 -5.417
181 HE ARG 25 HE ARG 25 4.364 1.397 -7.093
182 HH11 ARG 25 HH11 ARG 25 3.174 -1.953 -6.987
183 HH12 ARG 25 HH12 ARG 25 3.301 -2.166 -8.661
184 HH21 ARG 25 HH21 ARG 25 4.559 1.048 -9.378
185 HH22 ARG 25 HH22 ARG 25 4.120 -0.443 -10.063
186 H CYS 26 H CYS 26 1.557 -1.758 -2.442
187 HA CYS 26 HA CYS 26 0.723 -1.224 0.269
188 HB2 CYS 26 HB2 CYS 26 0.405 -3.690 -1.444
189 HB3 CYS 26 HB1 CYS 26 -0.328 -3.467 0.136
190 H ARG 27 H ARG 27 1.565 -2.100 2.043
191 HA ARG 27 HA ARG 27 4.327 -2.679 1.969
192 HB2 ARG 27 HB2 ARG 27 2.964 -1.646 3.896
193 HB3 ARG 27 HB1 ARG 27 2.545 -3.293 4.295
194 HG2 ARG 27 HG2 ARG 27 4.875 -3.907 4.556
195 HG3 ARG 27 HG1 ARG 27 5.360 -2.270 4.129
196 HD2 ARG 27 HD2 ARG 27 4.217 -1.427 6.110
197 HD3 ARG 27 HD1 ARG 27 3.743 -3.080 6.516
198 HE ARG 27 HE ARG 27 6.540 -2.856 6.135
199 HH11 ARG 27 HH11 ARG 27 3.995 -2.383 8.539
200 HH12 ARG 27 HH12 ARG 27 5.050 -2.440 9.872
201 HH21 ARG 27 HH21 ARG 27 7.973 -2.957 7.927
202 HH22 ARG 27 HH22 ARG 27 7.392 -2.785 9.520
203 H LYS 28 H LYS 28 5.442 -4.543 2.587
204 HA LYS 28 HA LYS 28 4.455 -7.051 1.577
205 HB2 LYS 28 HB2 LYS 28 6.835 -6.540 3.323
206 HB3 LYS 28 HB1 LYS 28 6.560 -7.870 2.241
207 HG2 LYS 28 HG2 LYS 28 6.835 -6.495 0.308
208 HG3 LYS 28 HG1 LYS 28 6.957 -5.041 1.304
209 HD2 LYS 28 HD2 LYS 28 8.942 -6.002 2.402
210 HD3 LYS 28 HD1 LYS 28 8.829 -7.395 1.334
211 HE2 LYS 28 HE2 LYS 28 9.171 -5.922 -0.596
212 HE3 LYS 28 HE1 LYS 28 9.292 -4.536 0.488
213 HZ1 LYS 28 HZ1 LYS 28 11.244 -5.572 1.520
214 HZ2 LYS 28 HZ2 LYS 28 11.494 -5.379 -0.128
215 HZ3 LYS 28 HZ3 LYS 28 11.102 -6.885 0.486
216 H TYR 29 H TYR 29 4.938 -8.947 3.051
217 HA TYR 29 HA TYR 29 3.470 -8.619 5.553
218 HB2 TYR 29 HB2 TYR 29 4.428 -11.047 4.025
219 HB3 TYR 29 HB1 TYR 29 3.754 -11.152 5.636
220 HD1 TYR 29 HD1 TYR 29 3.068 -11.082 2.130
221 HD2 TYR 29 HD2 TYR 29 1.323 -10.352 5.939
222 HE1 TYR 29 HE1 TYR 29 0.830 -11.285 1.145
223 HE2 TYR 29 HE2 TYR 29 -0.912 -10.552 4.968
224 HH TYR 29 HH TYR 29 -2.031 -10.428 2.853
225 H TYR 30 H TYR 30 6.382 -10.163 4.309
226 HA TYR 30 HA TYR 30 7.797 -9.328 6.657
227 HB2 TYR 30 HB2 TYR 30 8.044 -11.991 5.235
228 HB3 TYR 30 HB1 TYR 30 9.015 -11.469 6.605
229 HD1 TYR 30 HD1 TYR 30 7.794 -11.017 8.805
230 HD2 TYR 30 HD2 TYR 30 6.009 -13.099 5.571
231 HE1 TYR 30 HE1 TYR 30 6.125 -11.950 10.343
232 HE2 TYR 30 HE2 TYR 30 4.331 -14.038 7.078
233 HH TYR 30 HH TYR 30 3.894 -12.899 10.284
Start of MODEL 9
1 H1 CYS 1 HT1 CYS 1 -8.335 -7.826 -0.253
2 H2 CYS 1 HT2 CYS 1 -9.160 -6.679 -1.155
3 H3 CYS 1 HT3 CYS 1 -9.475 -6.813 0.490
4 HA CYS 1 HA CYS 1 -8.084 -4.925 0.064
5 HB2 CYS 1 HB2 CYS 1 -6.071 -5.619 1.386
6 HB3 CYS 1 HB1 CYS 1 -7.614 -5.917 2.154
7 H LYS 2 H LYS 2 -6.050 -4.151 -0.605
8 HA LYS 2 HA LYS 2 -5.259 -5.273 -3.133
9 HB2 LYS 2 HB2 LYS 2 -4.123 -2.921 -1.600
10 HB3 LYS 2 HB1 LYS 2 -3.465 -3.495 -3.107
11 HG2 LYS 2 HG2 LYS 2 -5.586 -3.002 -4.224
12 HG3 LYS 2 HG1 LYS 2 -6.229 -2.389 -2.694
13 HD2 LYS 2 HD2 LYS 2 -4.548 -0.673 -2.602
14 HD3 LYS 2 HD1 LYS 2 -3.724 -1.344 -4.005
15 HE2 LYS 2 HE2 LYS 2 -4.990 0.630 -4.612
16 HE3 LYS 2 HE1 LYS 2 -5.665 -0.799 -5.390
17 HZ1 LYS 2 HZ1 LYS 2 -7.359 0.686 -4.464
18 HZ2 LYS 2 HZ2 LYS 2 -6.765 0.383 -2.893
19 HZ3 LYS 2 HZ3 LYS 2 -7.410 -0.846 -3.792
20 HA PRO 3 HA PRO 3 -2.219 -8.009 -1.509
21 HB2 PRO 3 HB2 PRO 3 -0.935 -8.568 -3.858
22 HB3 PRO 3 HB1 PRO 3 -2.500 -9.262 -3.428
23 HG2 PRO 3 HG2 PRO 3 -1.884 -6.955 -5.225
24 HG3 PRO 3 HG1 PRO 3 -3.074 -8.250 -5.435
25 HD2 PRO 3 HD2 PRO 3 -3.728 -5.764 -4.581
26 HD3 PRO 3 HD1 PRO 3 -4.617 -7.215 -4.084
27 HA HYP 4 HA HYP 4 1.419 -5.595 -0.658
28 HB2 HYP 4 HB1 HYP 4 2.266 -7.271 0.654
29 HB3 HYP 4 HB2 HYP 4 3.325 -7.582 -0.727
30 HG HYP 4 HG HYP 4 2.054 -9.347 -1.462
31 HD22 HYP 4 HD11 HYP 4 -0.350 -8.462 0.117
32 HD23 HYP 4 HD12 HYP 4 -0.300 -9.202 -1.496
33 HD1 HYP 4 HD2 HYP 4 2.537 -10.102 0.390
34 H GLY 5 H GLY 5 2.379 -4.323 -2.033
35 HA2 GLY 5 HA2 GLY 5 4.039 -3.951 -3.706
36 HA3 GLY 5 HA1 GLY 5 3.556 -5.465 -4.445
37 H SER 6 H SER 6 0.668 -4.449 -3.901
38 HA SER 6 HA SER 6 0.266 -3.364 -6.462
39 HB2 SER 6 HB2 SER 6 -1.567 -4.408 -5.609
40 HB3 SER 6 HB1 SER 6 -1.559 -3.470 -4.066
41 HG SER 6 HG SER 6 -2.331 -1.713 -5.344
42 H LYS 7 H LYS 7 -0.809 -1.546 -6.719
43 HA LYS 7 HA LYS 7 0.733 0.730 -5.629
44 HB2 LYS 7 HB2 LYS 7 0.681 0.551 -8.112
45 HB3 LYS 7 HB1 LYS 7 -1.069 0.637 -8.077
46 HG2 LYS 7 HG2 LYS 7 -1.004 2.933 -7.352
47 HG3 LYS 7 HG1 LYS 7 0.740 2.852 -7.136
48 HD2 LYS 7 HD2 LYS 7 0.181 4.018 -9.207
49 HD3 LYS 7 HD1 LYS 7 1.042 2.519 -9.543
50 HE2 LYS 7 HE2 LYS 7 -0.763 2.801 -11.128
51 HE3 LYS 7 HE1 LYS 7 -1.130 1.440 -10.077
52 HZ1 LYS 7 HZ1 LYS 7 -3.061 2.811 -10.416
53 HZ2 LYS 7 HZ2 LYS 7 -2.277 4.187 -9.866
54 HZ3 LYS 7 HZ3 LYS 7 -2.601 2.911 -8.807
55 H CYS 8 H CYS 8 -0.273 2.366 -4.430
56 HA CYS 8 HA CYS 8 -3.162 2.270 -4.232
57 HB2 CYS 8 HB2 CYS 8 -2.937 2.166 -1.761
58 HB3 CYS 8 HB1 CYS 8 -2.697 0.664 -2.649
59 H SER 9 H SER 9 -3.958 3.876 -2.646
60 HA SER 9 HA SER 9 -2.377 6.253 -2.753
61 HB2 SER 9 HB2 SER 9 -4.580 7.190 -2.158
62 HB3 SER 9 HB1 SER 9 -4.492 6.488 -3.792
63 HG SER 9 HG SER 9 -5.858 4.966 -3.168
64 HA HYP 10 HA HYP 10 -1.842 5.673 1.607
65 HB2 HYP 10 HB1 HYP 10 -0.173 7.191 1.790
66 HB3 HYP 10 HB2 HYP 10 -1.367 8.461 2.075
67 HG HYP 10 HG HYP 10 -0.474 9.209 -0.006
68 HD22 HYP 10 HD11 HYP 10 -1.969 7.956 -1.771
69 HD23 HYP 10 HD12 HYP 10 -2.828 8.706 -0.397
70 HD1 HYP 10 HD2 HYP 10 -0.437 6.739 -1.107
71 H SER 11 H SER 11 -4.440 7.304 0.353
72 HA SER 11 HA SER 11 -5.556 8.277 2.810
73 HB2 SER 11 HB2 SER 11 -7.400 8.867 1.176
74 HB3 SER 11 HB1 SER 11 -5.844 9.660 0.909
75 HG SER 11 HG SER 11 -7.060 8.534 -0.925
76 H MET 12 H MET 12 -6.242 5.904 0.281
77 HA MET 12 HA MET 12 -8.458 4.792 1.678
78 HB2 MET 12 HB2 MET 12 -6.967 3.769 -0.729
79 HB3 MET 12 HB1 MET 12 -8.429 3.036 -0.086
80 HG2 MET 12 HG2 MET 12 -8.192 5.849 -1.121
81 HG3 MET 12 HG1 MET 12 -8.886 4.493 -2.002
82 HE1 MET 12 HE1 MET 12 -11.993 6.720 -1.107
83 HE2 MET 12 HE2 MET 12 -11.074 5.960 -2.408
84 HE3 MET 12 3HE MET 12 -10.367 7.286 -1.483
85 H ARG 13 H ARG 13 -5.286 3.713 1.007
86 HA ARG 13 HA ARG 13 -3.854 2.196 2.043
87 HB2 ARG 13 HB2 ARG 13 -4.082 3.934 3.679
88 HB3 ARG 13 HB1 ARG 13 -5.566 3.246 4.274
89 HG2 ARG 13 HG2 ARG 13 -4.281 1.377 5.239
90 HG3 ARG 13 HG1 ARG 13 -2.791 2.077 4.590
91 HD2 ARG 13 HD2 ARG 13 -3.131 2.645 6.976
92 HD3 ARG 13 HD1 ARG 13 -3.092 4.063 5.929
93 HE ARG 13 HE ARG 13 -5.735 3.024 6.470
94 HH11 ARG 13 HH11 ARG 13 -3.276 5.362 7.497
95 HH12 ARG 13 HH12 ARG 13 -4.376 6.350 8.331
96 HH21 ARG 13 HH21 ARG 13 -7.217 4.372 7.616
97 HH22 ARG 13 HH22 ARG 13 -6.649 5.768 8.434
98 H ASP 14 H ASP 14 -6.189 1.084 0.810
99 HA ASP 14 HA ASP 14 -7.419 -0.881 2.530
100 HB2 ASP 14 HB2 ASP 14 -8.738 -1.453 0.604
101 HB3 ASP 14 HB1 ASP 14 -8.744 0.298 0.836
102 H CYS 15 H CYS 15 -4.598 -1.070 1.914
103 HA CYS 15 HA CYS 15 -4.239 -3.439 0.307
104 HB2 CYS 15 HB2 CYS 15 -2.344 -2.185 2.296
105 HB3 CYS 15 HB1 CYS 15 -1.939 -3.387 1.098
106 H CYS 16 H CYS 16 -3.458 -5.445 1.193
107 HA CYS 16 HA CYS 16 -4.970 -6.373 3.349
108 HB2 CYS 16 HB2 CYS 16 -2.494 -7.517 2.089
109 HB3 CYS 16 HB1 CYS 16 -3.587 -8.394 3.147
110 H THR 17 H THR 17 -1.772 -5.056 3.195
111 HA THR 17 HA THR 17 -1.406 -5.433 6.072
112 HB THR 17 HB THR 17 0.910 -4.488 5.492
113 HG1 THR 17 HG1 THR 17 1.316 -4.944 3.124
114 HG21 THR 17 HG21 THR 17 0.528 -6.896 5.890
115 HG22 THR 17 HG22 THR 17 1.711 -6.645 4.608
116 HG23 THR 17 HG23 THR 17 0.053 -7.093 4.203
117 H THR 18 H THR 18 -0.228 -2.908 3.977
118 HA THR 18 HA THR 18 -1.950 -0.840 4.818
119 HB THR 18 HB THR 18 -0.507 -1.070 6.868
120 HG1 THR 18 HG1 THR 18 0.487 1.283 6.382
121 HG21 THR 18 HG21 THR 18 1.750 -0.332 4.993
122 HG22 THR 18 HG22 THR 18 1.541 -1.887 5.800
123 HG23 THR 18 HG23 THR 18 1.874 -0.441 6.748
124 H CYS 19 H CYS 19 -1.010 1.223 3.853
125 HA CYS 19 HA CYS 19 0.332 0.534 1.336
126 HB2 CYS 19 HB2 CYS 19 -1.932 1.373 1.028
127 HB3 CYS 19 HB1 CYS 19 -1.567 2.809 1.983
128 H ILE 20 H ILE 20 2.302 1.281 1.153
129 HA ILE 20 HA ILE 20 3.396 3.054 3.162
130 HB ILE 20 HB ILE 20 4.779 2.106 0.642
131 HG12 ILE 20 HG12 ILE 20 4.497 0.515 3.239
132 HG13 ILE 20 HG11 ILE 20 3.830 0.114 1.680
133 HG21 ILE 20 HG21 ILE 20 6.799 2.301 2.017
134 HG22 ILE 20 HG22 ILE 20 5.812 2.781 3.398
135 HG23 ILE 20 HG23 ILE 20 5.896 3.819 1.973
136 HD11 ILE 20 HD11 ILE 20 6.026 -0.209 0.746
137 HD12 ILE 20 HD12 ILE 20 5.825 -1.193 2.198
138 HD13 ILE 20 HD13 ILE 20 6.769 0.291 2.263
139 H SER 21 H SER 21 3.117 5.219 2.860
140 HA SER 21 HA SER 21 2.085 6.326 0.479
141 HB2 SER 21 HB2 SER 21 1.657 7.340 2.672
142 HB3 SER 21 HB1 SER 21 3.372 7.691 2.849
143 HG SER 21 HG SER 21 2.604 8.675 0.535
144 H TYR 22 H TYR 22 5.282 5.866 1.651
145 HA TYR 22 HA TYR 22 6.758 7.687 0.095
146 HB2 TYR 22 HB2 TYR 22 7.620 6.411 2.020
147 HB3 TYR 22 HB1 TYR 22 7.449 4.944 1.115
148 HD1 TYR 22 HD1 TYR 22 9.314 4.019 0.193
149 HD2 TYR 22 HD2 TYR 22 9.201 8.237 0.704
150 HE1 TYR 22 HE1 TYR 22 11.611 4.163 -0.612
151 HE2 TYR 22 HE2 TYR 22 11.512 8.397 -0.105
152 HH TYR 22 HH TYR 22 13.124 5.731 -1.562
153 H THR 23 H THR 23 6.157 4.286 -0.374
154 HA THR 23 HA THR 23 7.218 4.261 -3.058
155 HB THR 23 HB THR 23 5.812 1.967 -1.728
156 HG1 THR 23 HG1 THR 23 8.028 1.633 -0.781
157 HG21 THR 23 HG21 THR 23 8.340 2.169 -3.393
158 HG22 THR 23 HG22 THR 23 6.755 1.732 -4.017
159 HG23 THR 23 HG23 THR 23 7.557 0.678 -2.859
160 H LYS 24 H LYS 24 4.111 4.591 -1.571
161 HA LYS 24 HA LYS 24 1.991 4.475 -2.123
162 HB2 LYS 24 HB2 LYS 24 2.748 4.758 -5.038
163 HB3 LYS 24 HB1 LYS 24 1.217 5.015 -4.303
164 HG2 LYS 24 HG2 LYS 24 2.045 7.203 -4.755
165 HG3 LYS 24 HG1 LYS 24 2.090 6.955 -3.012
166 HD2 LYS 24 HD2 LYS 24 4.507 6.456 -3.195
167 HD3 LYS 24 HD1 LYS 24 4.426 6.804 -4.923
168 HE2 LYS 24 HE2 LYS 24 3.710 9.100 -4.416
169 HE3 LYS 24 HE1 LYS 24 3.793 8.727 -2.693
170 HZ1 LYS 24 HZ1 LYS 24 6.188 8.298 -2.977
171 HZ2 LYS 24 HZ2 LYS 24 5.762 9.876 -3.395
172 HZ3 LYS 24 HZ3 LYS 24 6.054 8.765 -4.596
173 H ARG 25 H ARG 25 3.308 2.150 -1.765
174 HA ARG 25 HA ARG 25 1.783 0.358 -3.481
175 HB2 ARG 25 HB2 ARG 25 4.633 -0.158 -2.642
176 HB3 ARG 25 HB1 ARG 25 3.612 -1.295 -3.493
177 HG2 ARG 25 HG2 ARG 25 4.744 1.294 -4.546
178 HG3 ARG 25 HG1 ARG 25 5.185 -0.338 -5.043
179 HD2 ARG 25 HD2 ARG 25 2.819 -0.622 -5.854
180 HD3 ARG 25 HD1 ARG 25 2.582 1.071 -5.419
181 HE ARG 25 HE ARG 25 4.221 0.062 -7.595
182 HH11 ARG 25 HH11 ARG 25 2.778 2.827 -5.898
183 HH12 ARG 25 HH12 ARG 25 3.176 3.948 -7.115
184 HH21 ARG 25 HH21 ARG 25 4.672 1.571 -9.271
185 HH22 ARG 25 HH22 ARG 25 4.272 3.217 -9.109
186 H CYS 26 H CYS 26 1.569 -1.785 -2.466
187 HA CYS 26 HA CYS 26 0.865 -1.339 0.299
188 HB2 CYS 26 HB2 CYS 26 0.473 -3.745 -1.478
189 HB3 CYS 26 HB1 CYS 26 -0.194 -3.563 0.142
190 H ARG 27 H ARG 27 1.824 -2.188 1.997
191 HA ARG 27 HA ARG 27 4.567 -2.882 1.868
192 HB2 ARG 27 HB2 ARG 27 3.225 -1.852 3.826
193 HB3 ARG 27 HB1 ARG 27 2.723 -3.478 4.145
194 HG2 ARG 27 HG2 ARG 27 5.067 -4.205 4.394
195 HG3 ARG 27 HG1 ARG 27 5.577 -2.523 4.218
196 HD2 ARG 27 HD2 ARG 27 4.270 -1.934 6.201
197 HD3 ARG 27 HD1 ARG 27 3.753 -3.611 6.355
198 HE ARG 27 HE ARG 27 6.603 -3.276 6.323
199 HH11 ARG 27 HH11 ARG 27 3.742 -3.394 8.396
200 HH12 ARG 27 HH12 ARG 27 4.609 -3.700 9.828
201 HH21 ARG 27 HH21 ARG 27 7.789 -3.724 8.258
202 HH22 ARG 27 HH22 ARG 27 6.987 -3.899 9.744
203 H LYS 28 H LYS 28 5.556 -4.855 2.323
204 HA LYS 28 HA LYS 28 3.960 -7.200 1.841
205 HB2 LYS 28 HB2 LYS 28 6.170 -8.372 2.465
206 HB3 LYS 28 HB1 LYS 28 5.973 -7.722 0.877
207 HG2 LYS 28 HG2 LYS 28 7.134 -5.602 2.149
208 HG3 LYS 28 HG1 LYS 28 7.715 -6.911 3.170
209 HD2 LYS 28 HD2 LYS 28 8.067 -6.808 0.172
210 HD3 LYS 28 HD1 LYS 28 9.280 -6.271 1.328
211 HE2 LYS 28 HE2 LYS 28 8.166 -9.073 1.201
212 HE3 LYS 28 HE1 LYS 28 9.640 -8.562 0.386
213 HZ1 LYS 28 HZ1 LYS 28 9.178 -8.628 3.340
214 HZ2 LYS 28 HZ2 LYS 28 10.507 -7.927 2.621
215 HZ3 LYS 28 HZ3 LYS 28 10.236 -9.571 2.449
216 H TYR 29 H TYR 29 4.252 -9.043 3.201
217 HA TYR 29 HA TYR 29 3.260 -8.298 5.822
218 HB2 TYR 29 HB2 TYR 29 3.652 -10.914 4.432
219 HB3 TYR 29 HB1 TYR 29 3.254 -10.852 6.135
220 HD1 TYR 29 HD1 TYR 29 1.047 -9.930 6.826
221 HD2 TYR 29 HD2 TYR 29 2.022 -10.528 2.736
222 HE1 TYR 29 HE1 TYR 29 -1.323 -9.838 6.266
223 HE2 TYR 29 HE2 TYR 29 -0.335 -10.434 2.151
224 HH TYR 29 HH TYR 29 -2.468 -10.763 3.165
225 H TYR 30 H TYR 30 5.865 -10.188 4.563
226 HA TYR 30 HA TYR 30 7.417 -9.614 6.908
227 HB2 TYR 30 HB2 TYR 30 7.213 -12.273 5.467
228 HB3 TYR 30 HB1 TYR 30 8.382 -11.903 6.723
229 HD1 TYR 30 HD1 TYR 30 7.530 -11.447 9.065
230 HD2 TYR 30 HD2 TYR 30 5.021 -13.017 6.011
231 HE1 TYR 30 HE1 TYR 30 5.952 -12.224 10.771
232 HE2 TYR 30 HE2 TYR 30 3.431 -13.795 7.706
233 HH TYR 30 HH TYR 30 3.471 -14.410 10.115
Start of MODEL 10
1 H1 CYS 1 HT1 CYS 1 -9.705 -5.804 0.158
2 H2 CYS 1 HT2 CYS 1 -8.737 -7.001 -0.550
3 H3 CYS 1 HT3 CYS 1 -9.379 -5.774 -1.512
4 HA CYS 1 HA CYS 1 -8.067 -4.162 -0.371
5 HB2 CYS 1 HB2 CYS 1 -6.208 -5.067 1.027
6 HB3 CYS 1 HB1 CYS 1 -7.792 -5.116 1.772
7 H LYS 2 H LYS 2 -5.950 -3.733 -1.034
8 HA LYS 2 HA LYS 2 -5.366 -5.074 -3.514
9 HB2 LYS 2 HB2 LYS 2 -3.846 -2.821 -2.175
10 HB3 LYS 2 HB1 LYS 2 -3.691 -3.330 -3.850
11 HG2 LYS 2 HG2 LYS 2 -6.138 -2.095 -2.582
12 HG3 LYS 2 HG1 LYS 2 -4.983 -1.308 -3.661
13 HD2 LYS 2 HD2 LYS 2 -5.661 -2.603 -5.508
14 HD3 LYS 2 HD1 LYS 2 -6.538 -3.751 -4.496
15 HE2 LYS 2 HE2 LYS 2 -8.065 -2.225 -5.712
16 HE3 LYS 2 HE1 LYS 2 -8.201 -2.074 -3.970
17 HZ1 LYS 2 HZ1 LYS 2 -6.658 -0.220 -5.708
18 HZ2 LYS 2 HZ2 LYS 2 -6.942 -0.077 -4.030
19 HZ3 LYS 2 HZ3 LYS 2 -8.223 0.033 -5.105
20 HA PRO 3 HA PRO 3 -2.612 -7.992 -1.778
21 HB2 PRO 3 HB2 PRO 3 -1.195 -8.611 -4.049
22 HB3 PRO 3 HB1 PRO 3 -2.821 -9.218 -3.728
23 HG2 PRO 3 HG2 PRO 3 -1.961 -6.915 -5.429
24 HG3 PRO 3 HG1 PRO 3 -3.186 -8.152 -5.756
25 HD2 PRO 3 HD2 PRO 3 -3.834 -5.685 -4.924
26 HD3 PRO 3 HD1 PRO 3 -4.769 -7.115 -4.438
27 HA HYP 4 HA HYP 4 1.123 -5.844 -0.681
28 HB2 HYP 4 HB1 HYP 4 2.304 -7.407 0.522
29 HB3 HYP 4 HB2 HYP 4 2.668 -8.336 -0.936
30 HG HYP 4 HG HYP 4 1.177 -9.782 0.194
31 HD22 HYP 4 HD11 HYP 4 -1.118 -9.079 -0.903
32 HD23 HYP 4 HD12 HYP 4 0.249 -9.389 -1.995
33 HD1 HYP 4 HD2 HYP 4 -0.287 -9.169 1.494
34 H GLY 5 H GLY 5 2.398 -4.644 -1.904
35 HA2 GLY 5 HA2 GLY 5 4.007 -4.263 -3.533
36 HA3 GLY 5 HA1 GLY 5 3.543 -5.758 -4.317
37 H SER 6 H SER 6 0.631 -4.667 -3.872
38 HA SER 6 HA SER 6 0.378 -3.516 -6.448
39 HB2 SER 6 HB2 SER 6 -1.512 -4.641 -5.798
40 HB3 SER 6 HB1 SER 6 -1.581 -3.866 -4.174
41 HG SER 6 HG SER 6 -2.405 -2.086 -5.229
42 H LYS 7 H LYS 7 -0.814 -1.666 -6.602
43 HA LYS 7 HA LYS 7 0.612 0.499 -5.197
44 HB2 LYS 7 HB2 LYS 7 -0.204 2.101 -6.844
45 HB3 LYS 7 HB1 LYS 7 0.563 0.762 -7.659
46 HG2 LYS 7 HG2 LYS 7 -1.715 -0.159 -8.146
47 HG3 LYS 7 HG1 LYS 7 -2.390 1.304 -7.423
48 HD2 LYS 7 HD2 LYS 7 -0.524 1.241 -9.804
49 HD3 LYS 7 HD1 LYS 7 -2.269 1.445 -9.894
50 HE2 LYS 7 HE2 LYS 7 -0.370 3.327 -8.465
51 HE3 LYS 7 HE1 LYS 7 -0.998 3.572 -10.084
52 HZ1 LYS 7 HZ1 LYS 7 -3.204 3.760 -9.223
53 HZ2 LYS 7 HZ2 LYS 7 -2.229 4.792 -8.330
54 HZ3 LYS 7 HZ3 LYS 7 -2.733 3.349 -7.669
55 H CYS 8 H CYS 8 -0.473 2.066 -4.003
56 HA CYS 8 HA CYS 8 -3.239 1.275 -3.389
57 HB2 CYS 8 HB2 CYS 8 -2.700 1.973 -1.030
58 HB3 CYS 8 HB1 CYS 8 -2.110 0.420 -1.584
59 H SER 9 H SER 9 -4.430 2.865 -2.109
60 HA SER 9 HA SER 9 -4.122 5.398 -3.356
61 HB2 SER 9 HB2 SER 9 -6.160 4.622 -1.376
62 HB3 SER 9 HB1 SER 9 -6.247 5.652 -2.806
63 HG SER 9 HG SER 9 -6.181 2.845 -2.704
64 HA HYP 10 HA HYP 10 -1.640 6.839 -0.032
65 HB2 HYP 10 HB1 HYP 10 -1.221 8.967 -0.711
66 HB3 HYP 10 HB2 HYP 10 -2.861 9.493 -0.301
67 HG HYP 10 HG HYP 10 -2.802 9.538 -2.742
68 HD22 HYP 10 HD11 HYP 10 -4.090 7.347 -3.168
69 HD23 HYP 10 HD12 HYP 10 -4.676 8.292 -1.768
70 HD1 HYP 10 HD2 HYP 10 -2.138 6.978 -2.927
71 H SER 11 H SER 11 -5.036 7.939 0.221
72 HA SER 11 HA SER 11 -4.633 8.202 3.075
73 HB2 SER 11 HB2 SER 11 -6.932 9.100 1.345
74 HB3 SER 11 HB1 SER 11 -6.726 9.460 3.063
75 HG SER 11 HG SER 11 -4.780 10.486 2.530
76 H MET 12 H MET 12 -6.177 6.118 0.791
77 HA MET 12 HA MET 12 -8.053 5.047 2.692
78 HB2 MET 12 HB2 MET 12 -7.220 3.881 0.039
79 HB3 MET 12 HB1 MET 12 -8.440 3.206 1.078
80 HG2 MET 12 HG2 MET 12 -9.791 5.225 0.833
81 HG3 MET 12 HG1 MET 12 -8.571 5.899 -0.244
82 HE1 MET 12 HE1 MET 12 -11.315 3.138 0.253
83 HE2 MET 12 HE2 MET 12 -9.883 2.135 -0.007
84 HE3 MET 12 3HE MET 12 -11.156 2.184 -1.220
85 H ARG 13 H ARG 13 -4.949 4.187 1.609
86 HA ARG 13 HA ARG 13 -3.427 2.557 2.190
87 HB2 ARG 13 HB2 ARG 13 -3.558 3.828 4.250
88 HB3 ARG 13 HB1 ARG 13 -5.003 2.964 4.720
89 HG2 ARG 13 HG2 ARG 13 -3.653 0.964 5.149
90 HG3 ARG 13 HG1 ARG 13 -2.217 1.789 4.527
91 HD2 ARG 13 HD2 ARG 13 -2.305 1.770 7.005
92 HD3 ARG 13 HD1 ARG 13 -2.283 3.390 6.320
93 HE ARG 13 HE ARG 13 -4.738 2.065 7.235
94 HH11 ARG 13 HH11 ARG 13 -2.605 4.944 7.176
95 HH12 ARG 13 HH12 ARG 13 -3.694 5.942 7.988
96 HH21 ARG 13 HH21 ARG 13 -6.257 3.521 8.356
97 HH22 ARG 13 HH22 ARG 13 -5.818 5.134 8.659
98 H ASP 14 H ASP 14 -5.480 1.705 0.726
99 HA ASP 14 HA ASP 14 -7.170 -0.308 1.780
100 HB2 ASP 14 HB2 ASP 14 -7.929 -0.461 -0.570
101 HB3 ASP 14 HB1 ASP 14 -8.026 1.152 0.128
102 H CYS 15 H CYS 15 -4.423 -1.009 1.948
103 HA CYS 15 HA CYS 15 -4.153 -3.232 0.041
104 HB2 CYS 15 HB2 CYS 15 -2.151 -2.299 2.090
105 HB3 CYS 15 HB1 CYS 15 -1.917 -3.491 0.843
106 H CYS 16 H CYS 16 -3.589 -5.318 0.839
107 HA CYS 16 HA CYS 16 -5.163 -6.174 3.005
108 HB2 CYS 16 HB2 CYS 16 -2.930 -7.549 1.547
109 HB3 CYS 16 HB1 CYS 16 -4.059 -8.337 2.639
110 H THR 17 H THR 17 -1.796 -5.287 2.762
111 HA THR 17 HA THR 17 -1.346 -5.974 5.558
112 HB THR 17 HB THR 17 0.991 -5.091 4.975
113 HG1 THR 17 HG1 THR 17 1.359 -5.139 2.626
114 HG21 THR 17 HG21 THR 17 -0.058 -7.434 3.370
115 HG22 THR 17 HG22 THR 17 0.487 -7.510 5.048
116 HG23 THR 17 HG23 THR 17 1.633 -7.135 3.763
117 H THR 18 H THR 18 -0.159 -3.283 3.713
118 HA THR 18 HA THR 18 -1.844 -1.305 4.717
119 HB THR 18 HB THR 18 -0.452 -1.722 6.770
120 HG1 THR 18 HG1 THR 18 -0.286 0.389 7.188
121 HG21 THR 18 HG21 THR 18 1.819 -0.748 5.032
122 HG22 THR 18 HG22 THR 18 1.648 -2.366 5.709
123 HG23 THR 18 HG23 THR 18 1.911 -0.985 6.774
124 H CYS 19 H CYS 19 -0.708 0.850 4.087
125 HA CYS 19 HA CYS 19 0.404 0.446 1.379
126 HB2 CYS 19 HB2 CYS 19 -1.789 1.390 1.317
127 HB3 CYS 19 HB1 CYS 19 -1.381 2.593 2.544
128 H ILE 20 H ILE 20 2.437 1.048 1.249
129 HA ILE 20 HA ILE 20 3.644 2.702 3.286
130 HB ILE 20 HB ILE 20 4.921 1.775 0.694
131 HG12 ILE 20 HG12 ILE 20 4.681 0.245 3.301
132 HG13 ILE 20 HG11 ILE 20 3.975 -0.184 1.766
133 HG21 ILE 20 HG21 ILE 20 6.080 2.425 3.413
134 HG22 ILE 20 HG22 ILE 20 6.123 3.471 2.000
135 HG23 ILE 20 HG23 ILE 20 7.006 1.942 1.989
136 HD11 ILE 20 HD11 ILE 20 6.939 -0.053 2.263
137 HD12 ILE 20 HD12 ILE 20 6.147 -0.583 0.780
138 HD13 ILE 20 HD13 ILE 20 5.976 -1.526 2.260
139 H SER 21 H SER 21 2.924 4.771 3.073
140 HA SER 21 HA SER 21 2.029 6.002 0.756
141 HB2 SER 21 HB2 SER 21 3.168 7.338 3.207
142 HB3 SER 21 HB1 SER 21 2.027 8.038 2.056
143 HG SER 21 HG SER 21 0.796 5.968 2.678
144 H TYR 22 H TYR 22 5.223 5.656 1.978
145 HA TYR 22 HA TYR 22 6.736 7.611 0.754
146 HB2 TYR 22 HB2 TYR 22 7.483 5.775 2.305
147 HB3 TYR 22 HB1 TYR 22 7.428 4.700 0.939
148 HD1 TYR 22 HD1 TYR 22 9.292 4.352 -0.389
149 HD2 TYR 22 HD2 TYR 22 9.079 7.861 2.003
150 HE1 TYR 22 HE1 TYR 22 11.589 4.901 -1.008
151 HE2 TYR 22 HE2 TYR 22 11.382 8.427 1.385
152 HH TYR 22 HH TYR 22 13.038 6.882 -1.136
153 H THR 23 H THR 23 5.894 4.473 -0.542
154 HA THR 23 HA THR 23 6.623 5.430 -3.241
155 HB THR 23 HB THR 23 8.085 3.638 -2.445
156 HG1 THR 23 HG1 THR 23 7.769 3.600 -4.618
157 HG21 THR 23 HG21 THR 23 6.597 2.503 -0.909
158 HG22 THR 23 HG22 THR 23 7.220 1.344 -2.087
159 HG23 THR 23 HG23 THR 23 5.577 1.971 -2.243
160 H LYS 24 H LYS 24 3.960 4.748 -1.420
161 HA LYS 24 HA LYS 24 1.789 4.345 -1.723
162 HB2 LYS 24 HB2 LYS 24 2.130 4.865 -4.667
163 HB3 LYS 24 HB1 LYS 24 0.698 4.971 -3.707
164 HG2 LYS 24 HG2 LYS 24 3.019 6.857 -3.388
165 HG3 LYS 24 HG1 LYS 24 1.532 7.221 -4.263
166 HD2 LYS 24 HD2 LYS 24 0.285 6.799 -2.129
167 HD3 LYS 24 HD1 LYS 24 1.843 6.631 -1.322
168 HE2 LYS 24 HE2 LYS 24 0.825 9.092 -2.750
169 HE3 LYS 24 HE1 LYS 24 0.935 8.876 -1.009
170 HZ1 LYS 24 HZ1 LYS 24 2.787 10.162 -1.772
171 HZ2 LYS 24 HZ2 LYS 24 3.197 9.023 -2.922
172 HZ3 LYS 24 HZ3 LYS 24 3.370 8.660 -1.274
173 H ARG 25 H ARG 25 3.357 2.133 -1.658
174 HA ARG 25 HA ARG 25 1.854 0.331 -3.406
175 HB2 ARG 25 HB2 ARG 25 4.733 -0.137 -2.589
176 HB3 ARG 25 HB1 ARG 25 3.749 -1.193 -3.577
177 HG2 ARG 25 HG2 ARG 25 4.813 1.527 -4.332
178 HG3 ARG 25 HG1 ARG 25 5.272 -0.032 -5.011
179 HD2 ARG 25 HD2 ARG 25 2.946 -0.281 -5.875
180 HD3 ARG 25 HD1 ARG 25 2.591 1.295 -5.201
181 HE ARG 25 HE ARG 25 4.591 0.878 -7.295
182 HH11 ARG 25 HH11 ARG 25 2.047 2.870 -5.813
183 HH12 ARG 25 HH12 ARG 25 2.022 4.000 -7.102
184 HH21 ARG 25 HH21 ARG 25 4.542 2.486 -9.016
185 HH22 ARG 25 HH22 ARG 25 3.428 3.775 -8.921
186 H CYS 26 H CYS 26 1.731 -1.887 -2.483
187 HA CYS 26 HA CYS 26 0.974 -1.573 0.261
188 HB2 CYS 26 HB2 CYS 26 0.694 -3.891 -1.647
189 HB3 CYS 26 HB1 CYS 26 -0.037 -3.795 -0.047
190 H ARG 27 H ARG 27 1.920 -2.472 1.902
191 HA ARG 27 HA ARG 27 4.683 -3.063 1.840
192 HB2 ARG 27 HB2 ARG 27 3.258 -2.139 3.761
193 HB3 ARG 27 HB1 ARG 27 2.718 -3.767 3.983
194 HG2 ARG 27 HG2 ARG 27 5.016 -4.545 4.317
195 HG3 ARG 27 HG1 ARG 27 5.571 -2.874 4.255
196 HD2 ARG 27 HD2 ARG 27 4.375 -2.337 6.240
197 HD3 ARG 27 HD1 ARG 27 3.512 -3.876 6.214
198 HE ARG 27 HE ARG 27 6.179 -4.483 6.257
199 HH11 ARG 27 HH11 ARG 27 3.949 -2.773 8.429
200 HH12 ARG 27 HH12 ARG 27 4.753 -3.257 9.847
201 HH21 ARG 27 HH21 ARG 27 7.235 -5.172 8.219
202 HH22 ARG 27 HH22 ARG 27 6.659 -4.646 9.718
203 H LYS 28 H LYS 28 5.726 -5.058 2.431
204 HA LYS 28 HA LYS 28 4.433 -7.526 1.607
205 HB2 LYS 28 HB2 LYS 28 7.072 -7.154 3.031
206 HB3 LYS 28 HB1 LYS 28 6.533 -8.525 2.099
207 HG2 LYS 28 HG2 LYS 28 6.652 -7.267 0.028
208 HG3 LYS 28 HG1 LYS 28 7.110 -5.816 0.910
209 HD2 LYS 28 HD2 LYS 28 9.068 -6.855 -0.114
210 HD3 LYS 28 HD1 LYS 28 9.185 -6.918 1.644
211 HE2 LYS 28 HE2 LYS 28 8.454 -9.250 1.610
212 HE3 LYS 28 HE1 LYS 28 8.288 -9.191 -0.140
213 HZ1 LYS 28 HZ1 LYS 28 10.340 -10.232 0.547
214 HZ2 LYS 28 HZ2 LYS 28 10.814 -8.848 1.376
215 HZ3 LYS 28 HZ3 LYS 28 10.700 -8.807 -0.296
216 H TYR 29 H TYR 29 4.872 -9.295 3.278
217 HA TYR 29 HA TYR 29 3.335 -8.548 5.570
218 HB2 TYR 29 HB2 TYR 29 4.593 -11.146 4.742
219 HB3 TYR 29 HB1 TYR 29 3.652 -10.964 6.219
220 HD1 TYR 29 HD1 TYR 29 1.241 -10.230 6.012
221 HD2 TYR 29 HD2 TYR 29 3.525 -11.426 2.644
222 HE1 TYR 29 HE1 TYR 29 -0.818 -10.518 4.740
223 HE2 TYR 29 HE2 TYR 29 1.476 -11.729 1.354
224 HH TYR 29 HH TYR 29 -0.963 -12.115 1.739
225 H TYR 30 H TYR 30 6.502 -10.086 5.313
226 HA TYR 30 HA TYR 30 7.279 -8.515 7.605
227 HB2 TYR 30 HB2 TYR 30 8.216 -11.272 6.781
228 HB3 TYR 30 HB1 TYR 30 9.027 -10.308 8.004
229 HD1 TYR 30 HD1 TYR 30 5.912 -12.100 7.181
230 HD2 TYR 30 HD2 TYR 30 8.187 -10.193 10.216
231 HE1 TYR 30 HE1 TYR 30 4.431 -13.047 8.863
232 HE2 TYR 30 HE2 TYR 30 6.715 -11.130 11.926
233 HH TYR 30 HH TYR 30 4.448 -12.002 12.111
Start of MODEL 11
1 H1 CYS 1 HT1 CYS 1 -8.506 -7.378 -0.374
2 H2 CYS 1 HT2 CYS 1 -9.335 -6.189 -1.236
3 H3 CYS 1 HT3 CYS 1 -9.530 -6.305 0.441
4 HA CYS 1 HA CYS 1 -8.118 -4.476 -0.101
5 HB2 CYS 1 HB2 CYS 1 -6.128 -5.243 1.223
6 HB3 CYS 1 HB1 CYS 1 -7.687 -5.467 1.993
7 H LYS 2 H LYS 2 -5.945 -3.852 -0.712
8 HA LYS 2 HA LYS 2 -5.225 -5.034 -3.232
9 HB2 LYS 2 HB2 LYS 2 -3.990 -2.701 -1.737
10 HB3 LYS 2 HB1 LYS 2 -3.440 -3.286 -3.284
11 HG2 LYS 2 HG2 LYS 2 -5.508 -2.742 -4.341
12 HG3 LYS 2 HG1 LYS 2 -6.229 -2.300 -2.792
13 HD2 LYS 2 HD2 LYS 2 -4.743 -0.436 -2.565
14 HD3 LYS 2 HD1 LYS 2 -3.822 -0.942 -3.982
15 HE2 LYS 2 HE2 LYS 2 -5.366 0.948 -4.438
16 HE3 LYS 2 HE1 LYS 2 -5.693 -0.471 -5.427
17 HZ1 LYS 2 HZ1 LYS 2 -7.689 0.654 -4.438
18 HZ2 LYS 2 HZ2 LYS 2 -7.207 0.061 -2.919
19 HZ3 LYS 2 HZ3 LYS 2 -7.568 -0.984 -4.160
20 HA PRO 3 HA PRO 3 -2.373 -7.927 -1.578
21 HB2 PRO 3 HB2 PRO 3 -1.088 -8.543 -3.905
22 HB3 PRO 3 HB1 PRO 3 -2.720 -9.100 -3.541
23 HG2 PRO 3 HG2 PRO 3 -1.850 -6.761 -5.195
24 HG3 PRO 3 HG1 PRO 3 -3.081 -7.985 -5.559
25 HD2 PRO 3 HD2 PRO 3 -3.716 -5.554 -4.633
26 HD3 PRO 3 HD1 PRO 3 -4.639 -7.003 -4.173
27 HA HYP 4 HA HYP 4 1.403 -5.826 -0.624
28 HB2 HYP 4 HB1 HYP 4 2.490 -7.436 0.528
29 HB3 HYP 4 HB2 HYP 4 3.125 -8.106 -0.976
30 HG HYP 4 HG HYP 4 1.787 -9.896 -0.376
31 HD22 HYP 4 HD11 HYP 4 -0.693 -9.185 -1.125
32 HD23 HYP 4 HD12 HYP 4 0.609 -9.209 -2.338
33 HD1 HYP 4 HD2 HYP 4 0.100 -9.757 0.909
34 H GLY 5 H GLY 5 2.531 -4.510 -1.825
35 HA2 GLY 5 HA2 GLY 5 4.161 -3.987 -3.429
36 HA3 GLY 5 HA1 GLY 5 3.800 -5.503 -4.240
37 H SER 6 H SER 6 0.823 -4.564 -3.807
38 HA SER 6 HA SER 6 0.517 -3.484 -6.387
39 HB2 SER 6 HB2 SER 6 -1.339 -4.578 -5.566
40 HB3 SER 6 HB1 SER 6 -1.428 -3.598 -4.058
41 HG SER 6 HG SER 6 -2.179 -1.908 -5.436
42 H LYS 7 H LYS 7 -0.604 -1.649 -6.623
43 HA LYS 7 HA LYS 7 0.810 0.550 -5.273
44 HB2 LYS 7 HB2 LYS 7 0.325 2.018 -7.129
45 HB3 LYS 7 HB1 LYS 7 0.998 0.534 -7.752
46 HG2 LYS 7 HG2 LYS 7 -1.424 -0.157 -8.203
47 HG3 LYS 7 HG1 LYS 7 -1.812 1.541 -7.932
48 HD2 LYS 7 HD2 LYS 7 0.092 2.031 -9.604
49 HD3 LYS 7 HD1 LYS 7 -0.054 0.341 -10.041
50 HE2 LYS 7 HE2 LYS 7 -1.370 1.681 -11.555
51 HE3 LYS 7 HE1 LYS 7 -2.432 0.678 -10.569
52 HZ1 LYS 7 HZ1 LYS 7 -3.183 3.017 -10.795
53 HZ2 LYS 7 HZ2 LYS 7 -1.811 3.517 -9.965
54 HZ3 LYS 7 HZ3 LYS 7 -2.950 2.555 -9.198
55 H CYS 8 H CYS 8 -0.252 2.122 -4.238
56 HA CYS 8 HA CYS 8 -3.130 1.697 -4.011
57 HB2 CYS 8 HB2 CYS 8 -2.798 2.058 -1.518
58 HB3 CYS 8 HB1 CYS 8 -2.485 0.479 -2.216
59 H SER 9 H SER 9 -4.280 3.304 -2.984
60 HA SER 9 HA SER 9 -3.355 5.901 -3.574
61 HB2 SER 9 HB2 SER 9 -5.839 4.985 -2.234
62 HB3 SER 9 HB1 SER 9 -5.540 6.429 -3.208
63 HG SER 9 HG SER 9 -5.110 4.985 -4.997
64 HA HYP 10 HA HYP 10 -1.576 6.222 0.418
65 HB2 HYP 10 HB1 HYP 10 -0.539 8.226 0.199
66 HB3 HYP 10 HB2 HYP 10 -2.068 9.086 0.449
67 HG HYP 10 HG HYP 10 -1.563 9.521 -1.890
68 HD22 HYP 10 HD11 HYP 10 -3.122 7.756 -2.965
69 HD23 HYP 10 HD12 HYP 10 -3.796 8.572 -1.529
70 HD1 HYP 10 HD2 HYP 10 -1.352 7.009 -2.624
71 H SER 11 H SER 11 -4.558 8.297 0.265
72 HA SER 11 HA SER 11 -4.725 8.108 3.098
73 HB2 SER 11 HB2 SER 11 -6.839 9.527 2.677
74 HB3 SER 11 HB1 SER 11 -5.263 10.240 2.350
75 HG SER 11 HG SER 11 -5.856 10.489 0.408
76 H MET 12 H MET 12 -5.956 6.285 0.527
77 HA MET 12 HA MET 12 -8.094 5.249 2.177
78 HB2 MET 12 HB2 MET 12 -7.183 4.372 -0.560
79 HB3 MET 12 HB1 MET 12 -8.400 3.495 0.354
80 HG2 MET 12 HG2 MET 12 -9.760 5.560 0.432
81 HG3 MET 12 HG1 MET 12 -8.573 6.335 -0.616
82 HE1 MET 12 HE1 MET 12 -10.511 6.963 -2.310
83 HE2 MET 12 HE2 MET 12 -11.695 6.177 -1.265
84 HE3 MET 12 3HE MET 12 -11.641 5.791 -2.985
85 H ARG 13 H ARG 13 -5.095 4.148 1.006
86 HA ARG 13 HA ARG 13 -3.596 2.571 1.758
87 HB2 ARG 13 HB2 ARG 13 -3.579 4.280 3.449
88 HB3 ARG 13 HB1 ARG 13 -4.931 3.538 4.266
89 HG2 ARG 13 HG2 ARG 13 -3.515 1.768 5.073
90 HG3 ARG 13 HG1 ARG 13 -2.192 2.270 4.018
91 HD2 ARG 13 HD2 ARG 13 -3.356 3.921 6.259
92 HD3 ARG 13 HD1 ARG 13 -1.843 3.008 6.336
93 HE ARG 13 HE ARG 13 -1.274 4.493 4.289
94 HH11 ARG 13 HH11 ARG 13 -3.029 5.626 7.171
95 HH12 ARG 13 HH12 ARG 13 -2.443 7.220 7.027
96 HH21 ARG 13 HH21 ARG 13 -0.529 6.689 4.106
97 HH22 ARG 13 HH22 ARG 13 -0.991 7.840 5.253
98 H ASP 14 H ASP 14 -5.990 1.452 0.803
99 HA ASP 14 HA ASP 14 -7.081 -0.496 2.626
100 HB2 ASP 14 HB2 ASP 14 -8.571 -1.053 0.821
101 HB3 ASP 14 HB1 ASP 14 -8.533 0.691 1.063
102 H CYS 15 H CYS 15 -4.407 -0.932 2.133
103 HA CYS 15 HA CYS 15 -4.198 -3.221 0.341
104 HB2 CYS 15 HB2 CYS 15 -2.158 -2.165 2.298
105 HB3 CYS 15 HB1 CYS 15 -1.882 -3.374 1.077
106 H CYS 16 H CYS 16 -3.481 -5.296 1.127
107 HA CYS 16 HA CYS 16 -5.046 -6.270 3.223
108 HB2 CYS 16 HB2 CYS 16 -2.652 -7.453 1.850
109 HB3 CYS 16 HB1 CYS 16 -3.758 -8.347 2.883
110 H THR 17 H THR 17 -1.790 -5.102 3.137
111 HA THR 17 HA THR 17 -1.467 -5.663 5.981
112 HB THR 17 HB THR 17 0.880 -4.742 5.486
113 HG1 THR 17 HG1 THR 17 1.238 -5.131 3.046
114 HG21 THR 17 HG21 THR 17 -0.012 -7.225 3.995
115 HG22 THR 17 HG22 THR 17 0.447 -7.164 5.697
116 HG23 THR 17 HG23 THR 17 1.650 -6.846 4.447
117 H THR 18 H THR 18 -0.237 -3.086 4.020
118 HA THR 18 HA THR 18 -1.993 -1.054 4.792
119 HB THR 18 HB THR 18 -0.698 -1.263 6.917
120 HG1 THR 18 HG1 THR 18 -0.395 0.915 7.115
121 HG21 THR 18 HG21 THR 18 1.453 -2.038 6.014
122 HG22 THR 18 HG22 THR 18 1.688 -0.575 6.970
123 HG23 THR 18 HG23 THR 18 1.682 -0.488 5.208
124 H CYS 19 H CYS 19 -0.889 1.051 4.026
125 HA CYS 19 HA CYS 19 0.400 0.421 1.450
126 HB2 CYS 19 HB2 CYS 19 -1.819 1.285 1.141
127 HB3 CYS 19 HB1 CYS 19 -1.487 2.667 2.190
128 H ILE 20 H ILE 20 2.404 1.014 1.395
129 HA ILE 20 HA ILE 20 3.546 2.858 3.290
130 HB ILE 20 HB ILE 20 4.865 1.847 0.749
131 HG12 ILE 20 HG12 ILE 20 4.682 0.249 3.380
132 HG13 ILE 20 HG11 ILE 20 3.962 -0.149 1.846
133 HG21 ILE 20 HG21 ILE 20 6.934 2.044 2.056
134 HG22 ILE 20 HG22 ILE 20 5.997 2.603 3.441
135 HG23 ILE 20 HG23 ILE 20 6.054 3.570 1.965
136 HD11 ILE 20 HD11 ILE 20 5.960 -1.457 2.289
137 HD12 ILE 20 HD12 ILE 20 6.914 0.028 2.338
138 HD13 ILE 20 HD13 ILE 20 6.127 -0.461 0.841
139 H SER 21 H SER 21 2.509 4.807 2.856
140 HA SER 21 HA SER 21 1.609 5.668 0.365
141 HB2 SER 21 HB2 SER 21 2.112 7.290 2.854
142 HB3 SER 21 HB1 SER 21 1.032 7.728 1.525
143 HG SER 21 HG SER 21 0.445 5.272 2.243
144 H TYR 22 H TYR 22 4.732 5.921 1.668
145 HA TYR 22 HA TYR 22 5.718 8.172 0.270
146 HB2 TYR 22 HB2 TYR 22 6.815 6.950 2.177
147 HB3 TYR 22 HB1 TYR 22 7.219 5.688 1.046
148 HD1 TYR 22 HD1 TYR 22 7.548 9.390 1.235
149 HD2 TYR 22 HD2 TYR 22 9.351 5.707 0.124
150 HE1 TYR 22 HE1 TYR 22 9.561 10.588 0.564
151 HE2 TYR 22 HE2 TYR 22 11.369 6.896 -0.561
152 HH TYR 22 HH TYR 22 12.003 9.151 -1.284
153 H THR 23 H THR 23 5.830 4.757 -0.381
154 HA THR 23 HA THR 23 6.768 5.146 -3.141
155 HB THR 23 HB THR 23 6.213 2.514 -1.752
156 HG1 THR 23 HG1 THR 23 8.437 4.257 -1.592
157 HG21 THR 23 HG21 THR 23 8.019 1.704 -3.219
158 HG22 THR 23 HG22 THR 23 8.221 3.327 -3.880
159 HG23 THR 23 HG23 THR 23 6.730 2.437 -4.171
160 H LYS 24 H LYS 24 3.904 4.880 -1.480
161 HA LYS 24 HA LYS 24 1.769 4.305 -1.803
162 HB2 LYS 24 HB2 LYS 24 2.423 4.915 -4.658
163 HB3 LYS 24 HB1 LYS 24 0.836 4.870 -3.939
164 HG2 LYS 24 HG2 LYS 24 1.119 6.728 -2.634
165 HG3 LYS 24 HG1 LYS 24 2.875 6.637 -2.710
166 HD2 LYS 24 HD2 LYS 24 2.889 7.305 -4.918
167 HD3 LYS 24 HD1 LYS 24 1.112 7.294 -5.043
168 HE2 LYS 24 HE2 LYS 24 1.984 9.593 -4.718
169 HE3 LYS 24 HE1 LYS 24 0.995 9.070 -3.357
170 HZ1 LYS 24 HZ1 LYS 24 3.960 9.041 -3.440
171 HZ2 LYS 24 HZ2 LYS 24 3.024 8.583 -2.107
172 HZ3 LYS 24 HZ3 LYS 24 3.024 10.181 -2.645
173 H ARG 25 H ARG 25 3.399 2.167 -1.637
174 HA ARG 25 HA ARG 25 1.975 0.282 -3.352
175 HB2 ARG 25 HB2 ARG 25 4.824 -0.053 -2.433
176 HB3 ARG 25 HB1 ARG 25 3.910 -1.204 -3.375
177 HG2 ARG 25 HG2 ARG 25 4.798 1.524 -4.303
178 HG3 ARG 25 HG1 ARG 25 5.448 -0.028 -4.834
179 HD2 ARG 25 HD2 ARG 25 3.124 -0.583 -5.692
180 HD3 ARG 25 HD1 ARG 25 2.690 1.037 -5.211
181 HE ARG 25 HE ARG 25 4.526 1.774 -6.771
182 HH11 ARG 25 HH11 ARG 25 2.599 -1.138 -7.377
183 HH12 ARG 25 HH12 ARG 25 2.506 -0.913 -9.048
184 HH21 ARG 25 HH21 ARG 25 4.361 2.115 -9.091
185 HH22 ARG 25 HH22 ARG 25 3.501 1.012 -10.050
186 H CYS 26 H CYS 26 1.793 -1.823 -2.364
187 HA CYS 26 HA CYS 26 1.028 -1.413 0.391
188 HB2 CYS 26 HB2 CYS 26 0.629 -3.787 -1.429
189 HB3 CYS 26 HB1 CYS 26 -0.070 -3.607 0.178
190 H ARG 27 H ARG 27 1.842 -2.468 2.084
191 HA ARG 27 HA ARG 27 4.600 -3.203 1.977
192 HB2 ARG 27 HB2 ARG 27 3.221 -2.131 3.908
193 HB3 ARG 27 HB1 ARG 27 2.734 -3.765 4.248
194 HG2 ARG 27 HG2 ARG 27 5.135 -4.421 4.438
195 HG3 ARG 27 HG1 ARG 27 5.548 -2.710 4.335
196 HD2 ARG 27 HD2 ARG 27 4.132 -2.299 6.309
197 HD3 ARG 27 HD1 ARG 27 3.828 -4.031 6.420
198 HE ARG 27 HE ARG 27 6.307 -2.625 6.978
199 HH11 ARG 27 HH11 ARG 27 4.713 -5.802 6.696
200 HH12 ARG 27 HH12 ARG 27 5.744 -6.567 7.798
201 HH21 ARG 27 HH21 ARG 27 7.722 -3.716 8.507
202 HH22 ARG 27 HH22 ARG 27 7.491 -5.366 8.852
203 H LYS 28 H LYS 28 5.408 -5.251 2.731
204 HA LYS 28 HA LYS 28 3.762 -7.585 1.984
205 HB2 LYS 28 HB2 LYS 28 6.663 -7.543 2.768
206 HB3 LYS 28 HB1 LYS 28 5.778 -8.789 1.936
207 HG2 LYS 28 HG2 LYS 28 5.607 -7.457 -0.069
208 HG3 LYS 28 HG1 LYS 28 6.398 -6.098 0.731
209 HD2 LYS 28 HD2 LYS 28 8.410 -7.511 1.053
210 HD3 LYS 28 HD1 LYS 28 7.616 -8.802 0.156
211 HE2 LYS 28 HE2 LYS 28 9.125 -7.607 -1.306
212 HE3 LYS 28 HE1 LYS 28 7.456 -7.314 -1.789
213 HZ1 LYS 28 HZ1 LYS 28 8.785 -5.302 -1.828
214 HZ2 LYS 28 HZ2 LYS 28 9.105 -5.431 -0.178
215 HZ3 LYS 28 HZ3 LYS 28 7.534 -5.171 -0.719
216 H TYR 29 H TYR 29 4.360 -9.470 3.419
217 HA TYR 29 HA TYR 29 3.814 -8.697 6.170
218 HB2 TYR 29 HB2 TYR 29 3.751 -11.322 4.701
219 HB3 TYR 29 HB1 TYR 29 3.678 -11.251 6.447
220 HD1 TYR 29 HD1 TYR 29 1.869 -10.662 3.310
221 HD2 TYR 29 HD2 TYR 29 1.698 -10.297 7.545
222 HE1 TYR 29 HE1 TYR 29 -0.552 -10.326 3.180
223 HE2 TYR 29 HE2 TYR 29 -0.712 -9.960 7.435
224 HH TYR 29 HH TYR 29 -2.514 -10.577 4.629
225 H TYR 30 H TYR 30 5.984 -10.764 4.384
226 HA TYR 30 HA TYR 30 7.827 -10.739 6.564
227 HB2 TYR 30 HB2 TYR 30 7.988 -12.125 3.880
228 HB3 TYR 30 HB1 TYR 30 9.174 -12.293 5.168
229 HD1 TYR 30 HD1 TYR 30 6.099 -13.514 3.825
230 HD2 TYR 30 HD2 TYR 30 8.352 -13.192 7.416
231 HE1 TYR 30 HE1 TYR 30 4.762 -15.308 4.818
232 HE2 TYR 30 HE2 TYR 30 7.035 -14.993 8.415
233 HH TYR 30 HH TYR 30 5.025 -17.003 6.632
Start of MODEL 12
1 H1 CYS 1 HT1 CYS 1 -9.246 -5.918 -1.802
2 H2 CYS 1 HT2 CYS 1 -9.653 -6.046 -0.165
3 H3 CYS 1 HT3 CYS 1 -8.641 -7.206 -0.903
4 HA CYS 1 HA CYS 1 -8.023 -4.351 -0.559
5 HB2 CYS 1 HB2 CYS 1 -6.244 -5.234 0.950
6 HB3 CYS 1 HB1 CYS 1 -7.865 -5.354 1.592
7 H LYS 2 H LYS 2 -5.862 -3.858 -1.043
8 HA LYS 2 HA LYS 2 -5.059 -5.103 -3.521
9 HB2 LYS 2 HB2 LYS 2 -3.614 -2.942 -1.970
10 HB3 LYS 2 HB1 LYS 2 -3.368 -3.390 -3.641
11 HG2 LYS 2 HG2 LYS 2 -5.879 -2.166 -2.536
12 HG3 LYS 2 HG1 LYS 2 -4.583 -1.328 -3.403
13 HD2 LYS 2 HD2 LYS 2 -5.006 -2.617 -5.382
14 HD3 LYS 2 HD1 LYS 2 -6.226 -3.578 -4.541
15 HE2 LYS 2 HE2 LYS 2 -7.203 -1.813 -5.954
16 HE3 LYS 2 HE1 LYS 2 -7.616 -1.638 -4.250
17 HZ1 LYS 2 HZ1 LYS 2 -7.005 0.427 -5.369
18 HZ2 LYS 2 HZ2 LYS 2 -5.415 -0.125 -5.565
19 HZ3 LYS 2 HZ3 LYS 2 -6.080 0.110 -4.014
20 HA PRO 3 HA PRO 3 -2.201 -7.906 -1.542
21 HB2 PRO 3 HB2 PRO 3 -0.970 -8.805 -3.793
22 HB3 PRO 3 HB1 PRO 3 -2.599 -9.318 -3.336
23 HG2 PRO 3 HG2 PRO 3 -1.753 -7.229 -5.304
24 HG3 PRO 3 HG1 PRO 3 -3.015 -8.466 -5.462
25 HD2 PRO 3 HD2 PRO 3 -3.557 -5.891 -4.841
26 HD3 PRO 3 HD1 PRO 3 -4.534 -7.248 -4.237
27 HA HYP 4 HA HYP 4 1.579 -5.661 -0.907
28 HB2 HYP 4 HB1 HYP 4 3.061 -7.086 0.107
29 HB3 HYP 4 HB2 HYP 4 3.064 -8.209 -1.261
30 HG HYP 4 HG HYP 4 1.787 -9.338 0.423
31 HD22 HYP 4 HD11 HYP 4 -0.639 -8.713 -0.483
32 HD23 HYP 4 HD12 HYP 4 0.546 -9.340 -1.655
33 HD1 HYP 4 HD2 HYP 4 1.511 -7.056 1.421
34 H GLY 5 H GLY 5 2.461 -4.394 -2.331
35 HA2 GLY 5 HA2 GLY 5 4.147 -4.065 -3.988
36 HA3 GLY 5 HA1 GLY 5 3.636 -5.571 -4.732
37 H SER 6 H SER 6 0.779 -4.619 -4.196
38 HA SER 6 HA SER 6 0.402 -3.315 -6.700
39 HB2 SER 6 HB2 SER 6 -1.422 -4.579 -6.082
40 HB3 SER 6 HB1 SER 6 -1.540 -3.868 -4.431
41 HG SER 6 HG SER 6 -2.429 -2.060 -5.470
42 H LYS 7 H LYS 7 -0.880 -1.503 -6.686
43 HA LYS 7 HA LYS 7 0.571 0.618 -5.232
44 HB2 LYS 7 HB2 LYS 7 -0.475 2.293 -6.658
45 HB3 LYS 7 HB1 LYS 7 0.233 1.042 -7.662
46 HG2 LYS 7 HG2 LYS 7 -1.924 0.084 -8.088
47 HG3 LYS 7 HG1 LYS 7 -2.685 1.174 -6.935
48 HD2 LYS 7 HD2 LYS 7 -1.279 2.043 -9.460
49 HD3 LYS 7 HD1 LYS 7 -3.024 1.856 -9.302
50 HE2 LYS 7 HE2 LYS 7 -2.976 3.573 -7.486
51 HE3 LYS 7 HE1 LYS 7 -1.259 3.793 -7.788
52 HZ1 LYS 7 HZ1 LYS 7 -1.787 4.493 -10.050
53 HZ2 LYS 7 HZ2 LYS 7 -2.564 5.461 -8.920
54 HZ3 LYS 7 HZ3 LYS 7 -3.427 4.284 -9.746
55 H CYS 8 H CYS 8 -0.488 2.132 -3.946
56 HA CYS 8 HA CYS 8 -3.170 1.262 -3.139
57 HB2 CYS 8 HB2 CYS 8 -2.503 2.153 -0.845
58 HB3 CYS 8 HB1 CYS 8 -1.919 0.574 -1.339
59 H SER 9 H SER 9 -4.360 2.884 -1.870
60 HA SER 9 HA SER 9 -4.222 5.366 -3.247
61 HB2 SER 9 HB2 SER 9 -6.159 4.275 -1.297
62 HB3 SER 9 HB1 SER 9 -6.392 5.562 -2.479
63 HG SER 9 HG SER 9 -6.121 2.782 -2.948
64 HA HYP 10 HA HYP 10 -1.644 7.060 -0.141
65 HB2 HYP 10 HB1 HYP 10 -1.459 9.169 -0.934
66 HB3 HYP 10 HB2 HYP 10 -3.062 9.603 -0.316
67 HG HYP 10 HG HYP 10 -3.354 9.598 -2.748
68 HD22 HYP 10 HD11 HYP 10 -4.497 7.298 -2.989
69 HD23 HYP 10 HD12 HYP 10 -4.973 8.177 -1.507
70 HD1 HYP 10 HD2 HYP 10 -2.449 7.090 -2.953
71 H SER 11 H SER 11 -5.113 7.675 0.477
72 HA SER 11 HA SER 11 -4.402 7.866 3.330
73 HB2 SER 11 HB2 SER 11 -6.651 9.266 1.888
74 HB3 SER 11 HB1 SER 11 -6.219 9.454 3.592
75 HG SER 11 HG SER 11 -5.385 10.975 1.800
76 H MET 12 H MET 12 -5.412 5.544 1.520
77 HA MET 12 HA MET 12 -7.885 5.060 3.037
78 HB2 MET 12 HB2 MET 12 -7.126 3.911 0.365
79 HB3 MET 12 HB1 MET 12 -8.558 3.472 1.279
80 HG2 MET 12 HG2 MET 12 -9.409 5.722 1.116
81 HG3 MET 12 HG1 MET 12 -7.945 6.244 0.286
82 HE1 MET 12 HE1 MET 12 -11.082 3.356 -1.491
83 HE2 MET 12 HE2 MET 12 -11.213 4.111 0.096
84 HE3 MET 12 3HE MET 12 -9.987 2.878 -0.197
85 H ARG 13 H ARG 13 -4.755 3.962 2.631
86 HA ARG 13 HA ARG 13 -3.569 2.049 3.097
87 HB2 ARG 13 HB2 ARG 13 -4.295 3.028 5.260
88 HB3 ARG 13 HB1 ARG 13 -5.678 1.953 5.219
89 HG2 ARG 13 HG2 ARG 13 -3.905 0.059 5.167
90 HG3 ARG 13 HG1 ARG 13 -2.752 1.308 5.636
91 HD2 ARG 13 HD2 ARG 13 -3.451 0.257 7.642
92 HD3 ARG 13 HD1 ARG 13 -4.297 1.804 7.587
93 HE ARG 13 HE ARG 13 -5.800 -0.272 6.374
94 HH11 ARG 13 HH11 ARG 13 -5.081 1.132 9.545
95 HH12 ARG 13 HH12 ARG 13 -6.452 0.452 10.292
96 HH21 ARG 13 HH21 ARG 13 -7.595 -1.191 7.374
97 HH22 ARG 13 HH22 ARG 13 -7.922 -0.923 9.037
98 H ASP 14 H ASP 14 -5.329 1.589 1.060
99 HA ASP 14 HA ASP 14 -7.321 -0.375 1.606
100 HB2 ASP 14 HB2 ASP 14 -7.762 -0.253 -0.837
101 HB3 ASP 14 HB1 ASP 14 -7.824 1.300 -0.020
102 H CYS 15 H CYS 15 -4.332 -0.947 1.717
103 HA CYS 15 HA CYS 15 -4.189 -3.276 -0.027
104 HB2 CYS 15 HB2 CYS 15 -2.211 -2.313 2.029
105 HB3 CYS 15 HB1 CYS 15 -1.956 -3.548 0.825
106 H CYS 16 H CYS 16 -3.633 -5.347 0.922
107 HA CYS 16 HA CYS 16 -5.367 -6.084 2.996
108 HB2 CYS 16 HB2 CYS 16 -2.958 -7.522 1.900
109 HB3 CYS 16 HB1 CYS 16 -4.225 -8.257 2.874
110 H THR 17 H THR 17 -1.973 -5.235 2.943
111 HA THR 17 HA THR 17 -1.753 -5.690 5.794
112 HB THR 17 HB THR 17 0.645 -4.922 5.285
113 HG1 THR 17 HG1 THR 17 1.164 -5.097 3.006
114 HG21 THR 17 HG21 THR 17 -0.403 -7.372 3.835
115 HG22 THR 17 HG22 THR 17 0.044 -7.314 5.543
116 HG23 THR 17 HG23 THR 17 1.277 -7.095 4.303
117 H THR 18 H THR 18 -0.406 -3.209 3.790
118 HA THR 18 HA THR 18 -2.105 -1.126 4.414
119 HB THR 18 HB THR 18 -1.134 -1.318 6.617
120 HG1 THR 18 HG1 THR 18 -0.625 0.851 6.849
121 HG21 THR 18 HG21 THR 18 1.024 -2.276 6.124
122 HG22 THR 18 HG22 THR 18 1.263 -0.782 7.032
123 HG23 THR 18 HG23 THR 18 1.524 -0.810 5.287
124 H CYS 19 H CYS 19 -0.650 0.963 3.994
125 HA CYS 19 HA CYS 19 0.397 0.519 1.260
126 HB2 CYS 19 HB2 CYS 19 -1.670 1.754 1.375
127 HB3 CYS 19 HB1 CYS 19 -1.023 2.843 2.595
128 H ILE 20 H ILE 20 2.470 0.982 0.974
129 HA ILE 20 HA ILE 20 4.108 2.291 2.942
130 HB ILE 20 HB ILE 20 4.759 1.652 0.041
131 HG12 ILE 20 HG12 ILE 20 5.020 -0.172 2.443
132 HG13 ILE 20 HG11 ILE 20 3.912 -0.360 1.115
133 HG21 ILE 20 HG21 ILE 20 6.361 3.108 1.155
134 HG22 ILE 20 HG22 ILE 20 7.078 1.527 0.840
135 HG23 ILE 20 HG23 ILE 20 6.533 1.939 2.467
136 HD11 ILE 20 HD11 ILE 20 6.904 -0.462 0.805
137 HD12 ILE 20 HD12 ILE 20 5.706 -0.736 -0.457
138 HD13 ILE 20 HD13 ILE 20 5.840 -1.868 0.883
139 H SER 21 H SER 21 3.578 4.448 3.094
140 HA SER 21 HA SER 21 2.275 5.950 1.143
141 HB2 SER 21 HB2 SER 21 3.927 6.988 3.426
142 HB3 SER 21 HB1 SER 21 2.526 7.753 2.673
143 HG SER 21 HG SER 21 1.428 5.673 3.329
144 H TYR 22 H TYR 22 5.630 5.337 1.591
145 HA TYR 22 HA TYR 22 6.746 7.622 0.336
146 HB2 TYR 22 HB2 TYR 22 7.906 5.897 1.800
147 HB3 TYR 22 HB1 TYR 22 7.869 4.831 0.421
148 HD1 TYR 22 HD1 TYR 22 9.234 5.347 -1.605
149 HD2 TYR 22 HD2 TYR 22 9.567 7.648 1.953
150 HE1 TYR 22 HE1 TYR 22 11.388 6.226 -2.380
151 HE2 TYR 22 HE2 TYR 22 11.735 8.535 1.175
152 HH TYR 22 HH TYR 22 12.849 8.217 -1.998
153 H THR 23 H THR 23 6.231 4.337 -0.831
154 HA THR 23 HA THR 23 6.706 5.205 -3.599
155 HB THR 23 HB THR 23 6.424 2.369 -2.596
156 HG1 THR 23 HG1 THR 23 8.931 3.591 -2.919
157 HG21 THR 23 HG21 THR 23 7.945 3.593 -4.921
158 HG22 THR 23 HG22 THR 23 6.441 2.689 -5.047
159 HG23 THR 23 HG23 THR 23 7.912 1.882 -4.503
160 H LYS 24 H LYS 24 4.077 4.604 -1.577
161 HA LYS 24 HA LYS 24 1.965 4.094 -1.718
162 HB2 LYS 24 HB2 LYS 24 2.059 4.986 -4.603
163 HB3 LYS 24 HB1 LYS 24 0.653 4.661 -3.654
164 HG2 LYS 24 HG2 LYS 24 0.910 7.058 -3.784
165 HG3 LYS 24 HG1 LYS 24 1.136 6.510 -2.132
166 HD2 LYS 24 HD2 LYS 24 3.549 6.663 -2.403
167 HD3 LYS 24 HD1 LYS 24 3.331 7.172 -4.078
168 HE2 LYS 24 HE2 LYS 24 2.209 9.181 -3.361
169 HE3 LYS 24 HE1 LYS 24 2.254 8.631 -1.684
170 HZ1 LYS 24 HZ1 LYS 24 4.655 8.752 -1.741
171 HZ2 LYS 24 HZ2 LYS 24 3.980 10.232 -2.118
172 HZ3 LYS 24 HZ3 LYS 24 4.624 9.278 -3.354
173 H ARG 25 H ARG 25 3.342 1.994 -1.720
174 HA ARG 25 HA ARG 25 1.848 0.252 -3.513
175 HB2 ARG 25 HB2 ARG 25 4.728 -0.204 -2.701
176 HB3 ARG 25 HB1 ARG 25 3.739 -1.334 -3.599
177 HG2 ARG 25 HG2 ARG 25 4.734 1.349 -4.539
178 HG3 ARG 25 HG1 ARG 25 5.205 -0.235 -5.153
179 HD2 ARG 25 HD2 ARG 25 2.737 -0.532 -5.807
180 HD3 ARG 25 HD1 ARG 25 2.560 1.138 -5.357
181 HE ARG 25 HE ARG 25 4.209 0.204 -7.577
182 HH11 ARG 25 HH11 ARG 25 2.483 2.821 -5.914
183 HH12 ARG 25 HH12 ARG 25 2.501 3.890 -7.228
184 HH21 ARG 25 HH21 ARG 25 4.198 1.653 -9.429
185 HH22 ARG 25 HH22 ARG 25 3.467 3.189 -9.307
186 H CYS 26 H CYS 26 1.712 -1.942 -2.592
187 HA CYS 26 HA CYS 26 0.912 -1.622 0.135
188 HB2 CYS 26 HB2 CYS 26 0.679 -3.968 -1.724
189 HB3 CYS 26 HB1 CYS 26 -0.052 -3.869 -0.119
190 H ARG 27 H ARG 27 1.722 -2.452 1.849
191 HA ARG 27 HA ARG 27 4.481 -3.058 1.933
192 HB2 ARG 27 HB2 ARG 27 2.918 -1.892 3.636
193 HB3 ARG 27 HB1 ARG 27 2.495 -3.506 4.117
194 HG2 ARG 27 HG2 ARG 27 4.713 -4.011 4.844
195 HG3 ARG 27 HG1 ARG 27 5.322 -2.498 4.159
196 HD2 ARG 27 HD2 ARG 27 3.984 -1.215 5.695
197 HD3 ARG 27 HD1 ARG 27 3.277 -2.683 6.352
198 HE ARG 27 HE ARG 27 5.799 -3.139 6.841
199 HH11 ARG 27 HH11 ARG 27 4.173 0.009 7.131
200 HH12 ARG 27 HH12 ARG 27 4.934 0.417 8.597
201 HH21 ARG 27 HH21 ARG 27 6.825 -2.572 8.861
202 HH22 ARG 27 HH22 ARG 27 6.482 -1.071 9.601
203 H LYS 28 H LYS 28 5.422 -4.957 2.760
204 HA LYS 28 HA LYS 28 4.293 -7.406 1.691
205 HB2 LYS 28 HB2 LYS 28 6.819 -6.942 3.240
206 HB3 LYS 28 HB1 LYS 28 6.434 -8.304 2.204
207 HG2 LYS 28 HG2 LYS 28 6.470 -6.938 0.250
208 HG3 LYS 28 HG1 LYS 28 6.670 -5.479 1.208
209 HD2 LYS 28 HD2 LYS 28 8.839 -6.359 2.011
210 HD3 LYS 28 HD1 LYS 28 8.634 -7.748 0.946
211 HE2 LYS 28 HE2 LYS 28 8.810 -4.862 0.118
212 HE3 LYS 28 HE1 LYS 28 10.049 -6.095 -0.117
213 HZ1 LYS 28 HZ1 LYS 28 7.364 -6.000 -1.359
214 HZ2 LYS 28 HZ2 LYS 28 8.428 -7.297 -1.516
215 HZ3 LYS 28 HZ3 LYS 28 8.843 -5.781 -2.136
216 H TYR 29 H TYR 29 4.899 -9.311 3.120
217 HA TYR 29 HA TYR 29 3.144 -9.399 5.338
218 HB2 TYR 29 HB2 TYR 29 5.238 -11.253 4.279
219 HB3 TYR 29 HB1 TYR 29 4.518 -11.578 5.849
220 HD1 TYR 29 HD1 TYR 29 3.691 -11.069 2.244
221 HD2 TYR 29 HD2 TYR 29 2.420 -12.611 5.993
222 HE1 TYR 29 HE1 TYR 29 1.780 -12.126 1.153
223 HE2 TYR 29 HE2 TYR 29 0.504 -13.678 4.914
224 HH TYR 29 HH TYR 29 0.225 -14.088 1.607
225 H TYR 30 H TYR 30 6.651 -9.412 5.166
226 HA TYR 30 HA TYR 30 6.747 -8.386 7.853
227 HB2 TYR 30 HB2 TYR 30 8.988 -9.289 6.002
228 HB3 TYR 30 HB1 TYR 30 9.223 -8.667 7.624
229 HD1 TYR 30 HD1 TYR 30 8.032 -11.527 5.639
230 HD2 TYR 30 HD2 TYR 30 8.827 -10.040 9.539
231 HE1 TYR 30 HE1 TYR 30 7.877 -13.798 6.528
232 HE2 TYR 30 HE2 TYR 30 8.673 -12.309 10.443
233 HH TYR 30 HH TYR 30 7.799 -14.447 9.943
Start of MODEL 13
1 H1 CYS 1 HT1 CYS 1 -8.628 -7.243 -1.156
2 H2 CYS 1 HT2 CYS 1 -9.370 -6.113 -2.166
3 H3 CYS 1 HT3 CYS 1 -9.780 -6.179 -0.523
4 HA CYS 1 HA CYS 1 -8.356 -4.329 -1.023
5 HB2 CYS 1 HB2 CYS 1 -6.560 -4.930 0.677
6 HB3 CYS 1 HB1 CYS 1 -8.225 -5.084 1.213
7 H LYS 2 H LYS 2 -5.997 -3.748 -1.243
8 HA LYS 2 HA LYS 2 -4.926 -4.969 -3.624
9 HB2 LYS 2 HB2 LYS 2 -3.746 -2.783 -1.872
10 HB3 LYS 2 HB1 LYS 2 -3.157 -3.290 -3.424
11 HG2 LYS 2 HG2 LYS 2 -5.869 -2.091 -3.003
12 HG3 LYS 2 HG1 LYS 2 -4.417 -1.187 -3.433
13 HD2 LYS 2 HD2 LYS 2 -4.193 -2.610 -5.448
14 HD3 LYS 2 HD1 LYS 2 -5.742 -3.358 -5.040
15 HE2 LYS 2 HE2 LYS 2 -5.963 -1.550 -6.711
16 HE3 LYS 2 HE1 LYS 2 -6.860 -1.235 -5.227
17 HZ1 LYS 2 HZ1 LYS 2 -5.226 0.303 -4.507
18 HZ2 LYS 2 HZ2 LYS 2 -5.561 0.708 -6.097
19 HZ3 LYS 2 HZ3 LYS 2 -4.145 -0.103 -5.726
20 HA PRO 3 HA PRO 3 -2.365 -7.795 -1.260
21 HB2 PRO 3 HB2 PRO 3 -0.977 -8.811 -3.355
22 HB3 PRO 3 HB1 PRO 3 -2.658 -9.255 -3.040
23 HG2 PRO 3 HG2 PRO 3 -1.560 -7.261 -4.982
24 HG3 PRO 3 HG1 PRO 3 -2.836 -8.472 -5.224
25 HD2 PRO 3 HD2 PRO 3 -3.373 -5.874 -4.747
26 HD3 PRO 3 HD1 PRO 3 -4.430 -7.186 -4.183
27 HA HYP 4 HA HYP 4 1.467 -5.703 -0.417
28 HB2 HYP 4 HB1 HYP 4 2.237 -7.352 0.946
29 HB3 HYP 4 HB2 HYP 4 3.276 -7.793 -0.418
30 HG HYP 4 HG HYP 4 1.894 -9.509 -1.076
31 HD22 HYP 4 HD11 HYP 4 -0.451 -8.362 0.453
32 HD23 HYP 4 HD12 HYP 4 -0.468 -9.224 -1.098
33 HD1 HYP 4 HD2 HYP 4 0.605 -9.990 1.038
34 H GLY 5 H GLY 5 2.526 -4.484 -1.772
35 HA2 GLY 5 HA2 GLY 5 4.224 -4.148 -3.353
36 HA3 GLY 5 HA1 GLY 5 3.819 -5.693 -4.084
37 H SER 6 H SER 6 0.888 -4.710 -3.764
38 HA SER 6 HA SER 6 0.652 -3.620 -6.369
39 HB2 SER 6 HB2 SER 6 -1.209 -4.765 -5.674
40 HB3 SER 6 HB1 SER 6 -1.371 -3.859 -4.124
41 HG SER 6 HG SER 6 -2.183 -2.183 -5.372
42 H LYS 7 H LYS 7 -0.565 -1.791 -6.602
43 HA LYS 7 HA LYS 7 0.864 0.438 -5.310
44 HB2 LYS 7 HB2 LYS 7 0.701 0.562 -7.789
45 HB3 LYS 7 HB1 LYS 7 -1.055 0.620 -7.675
46 HG2 LYS 7 HG2 LYS 7 -0.930 2.761 -6.518
47 HG3 LYS 7 HG1 LYS 7 0.827 2.690 -6.537
48 HD2 LYS 7 HD2 LYS 7 -0.929 2.796 -8.983
49 HD3 LYS 7 HD1 LYS 7 -0.120 4.189 -8.273
50 HE2 LYS 7 HE2 LYS 7 2.057 3.019 -8.641
51 HE3 LYS 7 HE1 LYS 7 1.182 1.746 -9.483
52 HZ1 LYS 7 HZ1 LYS 7 1.296 4.594 -10.263
53 HZ2 LYS 7 HZ2 LYS 7 0.421 3.417 -11.094
54 HZ3 LYS 7 HZ3 LYS 7 2.110 3.344 -11.025
55 H CYS 8 H CYS 8 -0.171 1.967 -4.118
56 HA CYS 8 HA CYS 8 -2.930 1.265 -3.378
57 HB2 CYS 8 HB2 CYS 8 -2.317 1.827 -1.063
58 HB3 CYS 8 HB1 CYS 8 -1.613 0.350 -1.695
59 H SER 9 H SER 9 -3.882 2.862 -1.867
60 HA SER 9 HA SER 9 -3.470 5.542 -2.798
61 HB2 SER 9 HB2 SER 9 -5.765 4.280 -1.412
62 HB3 SER 9 HB1 SER 9 -5.675 5.766 -2.367
63 HG SER 9 HG SER 9 -5.642 3.093 -3.255
64 HA HYP 10 HA HYP 10 -1.680 6.158 1.206
65 HB2 HYP 10 HB1 HYP 10 -0.935 8.287 0.989
66 HB3 HYP 10 HB2 HYP 10 -2.571 8.948 1.154
67 HG HYP 10 HG HYP 10 -1.999 9.345 -1.187
68 HD22 HYP 10 HD11 HYP 10 -3.347 7.399 -2.221
69 HD23 HYP 10 HD12 HYP 10 -4.157 8.160 -0.822
70 HD1 HYP 10 HD2 HYP 10 -1.519 6.750 -1.572
71 H SER 11 H SER 11 -4.711 8.159 1.212
72 HA SER 11 HA SER 11 -4.827 7.760 4.040
73 HB2 SER 11 HB2 SER 11 -6.822 9.305 3.837
74 HB3 SER 11 HB1 SER 11 -5.270 9.953 3.310
75 HG SER 11 HG SER 11 -7.541 9.515 1.902
76 H MET 12 H MET 12 -6.509 6.495 1.259
77 HA MET 12 HA MET 12 -8.718 5.538 2.790
78 HB2 MET 12 HB2 MET 12 -7.849 4.853 -0.002
79 HB3 MET 12 HB1 MET 12 -9.231 4.103 0.778
80 HG2 MET 12 HG2 MET 12 -10.287 6.284 1.020
81 HG3 MET 12 HG1 MET 12 -8.906 7.050 0.242
82 HE1 MET 12 HE1 MET 12 -11.765 4.102 -1.872
83 HE2 MET 12 HE2 MET 12 -11.908 4.571 -0.178
84 HE3 MET 12 3HE MET 12 -10.554 3.577 -0.711
85 H ARG 13 H ARG 13 -5.651 4.333 2.178
86 HA ARG 13 HA ARG 13 -4.574 2.379 2.498
87 HB2 ARG 13 HB2 ARG 13 -4.890 3.036 4.786
88 HB3 ARG 13 HB1 ARG 13 -6.518 2.377 4.767
89 HG2 ARG 13 HG2 ARG 13 -5.537 0.098 4.558
90 HG3 ARG 13 HG1 ARG 13 -3.926 0.814 4.595
91 HD2 ARG 13 HD2 ARG 13 -4.391 1.721 6.817
92 HD3 ARG 13 HD1 ARG 13 -5.987 0.972 6.781
93 HE ARG 13 HE ARG 13 -4.369 -1.114 6.366
94 HH11 ARG 13 HH11 ARG 13 -4.517 1.366 8.854
95 HH12 ARG 13 HH12 ARG 13 -3.727 0.442 10.042
96 HH21 ARG 13 HH21 ARG 13 -3.203 -2.358 7.936
97 HH22 ARG 13 HH22 ARG 13 -2.904 -1.714 9.503
98 H ASP 14 H ASP 14 -5.279 1.479 0.573
99 HA ASP 14 HA ASP 14 -7.603 -0.221 0.697
100 HB2 ASP 14 HB2 ASP 14 -7.337 -0.302 -1.802
101 HB3 ASP 14 HB1 ASP 14 -7.672 1.284 -1.134
102 H CYS 15 H CYS 15 -4.491 -0.619 1.306
103 HA CYS 15 HA CYS 15 -4.158 -3.185 -0.037
104 HB2 CYS 15 HB2 CYS 15 -2.419 -2.098 2.155
105 HB3 CYS 15 HB1 CYS 15 -2.054 -3.328 0.980
106 H CYS 16 H CYS 16 -3.868 -5.123 1.013
107 HA CYS 16 HA CYS 16 -5.682 -5.706 3.070
108 HB2 CYS 16 HB2 CYS 16 -3.272 -7.272 2.168
109 HB3 CYS 16 HB1 CYS 16 -4.679 -7.910 3.016
110 H THR 17 H THR 17 -2.221 -5.041 3.052
111 HA THR 17 HA THR 17 -1.997 -5.441 5.909
112 HB THR 17 HB THR 17 0.405 -4.674 5.375
113 HG1 THR 17 HG1 THR 17 0.920 -4.873 3.118
114 HG21 THR 17 HG21 THR 17 1.037 -6.863 4.415
115 HG22 THR 17 HG22 THR 17 -0.642 -7.158 3.975
116 HG23 THR 17 HG23 THR 17 -0.179 -7.066 5.674
117 H THR 18 H THR 18 -0.593 -2.939 3.915
118 HA THR 18 HA THR 18 -2.302 -0.862 4.520
119 HB THR 18 HB THR 18 -1.234 -1.092 6.773
120 HG1 THR 18 HG1 THR 18 -0.644 1.174 6.899
121 HG21 THR 18 HG21 THR 18 1.295 -0.297 5.317
122 HG22 THR 18 HG22 THR 18 0.981 -1.856 6.079
123 HG23 THR 18 HG23 THR 18 1.111 -0.399 7.068
124 H CYS 19 H CYS 19 -0.962 1.239 3.919
125 HA CYS 19 HA CYS 19 0.288 0.604 1.321
126 HB2 CYS 19 HB2 CYS 19 -1.798 1.822 1.170
127 HB3 CYS 19 HB1 CYS 19 -1.247 3.017 2.335
128 H ILE 20 H ILE 20 2.371 1.133 1.088
129 HA ILE 20 HA ILE 20 3.651 2.876 3.018
130 HB ILE 20 HB ILE 20 4.899 1.590 0.572
131 HG12 ILE 20 HG12 ILE 20 4.504 0.386 3.318
132 HG13 ILE 20 HG11 ILE 20 3.892 -0.199 1.806
133 HG21 ILE 20 HG21 ILE 20 6.985 1.828 1.848
134 HG22 ILE 20 HG22 ILE 20 6.080 2.482 3.207
135 HG23 ILE 20 HG23 ILE 20 6.157 3.383 1.692
136 HD11 ILE 20 HD11 ILE 20 5.819 -1.533 2.559
137 HD12 ILE 20 HD12 ILE 20 6.831 -0.097 2.453
138 HD13 ILE 20 HD13 ILE 20 6.091 -0.763 0.997
139 H SER 21 H SER 21 2.682 4.814 2.458
140 HA SER 21 HA SER 21 2.120 5.674 -0.108
141 HB2 SER 21 HB2 SER 21 2.581 7.352 2.351
142 HB3 SER 21 HB1 SER 21 1.685 7.816 0.901
143 HG SER 21 HG SER 21 0.420 6.956 2.749
144 H TYR 22 H TYR 22 5.139 5.498 1.358
145 HA TYR 22 HA TYR 22 6.636 7.548 0.184
146 HB2 TYR 22 HB2 TYR 22 7.437 5.905 1.909
147 HB3 TYR 22 HB1 TYR 22 7.416 4.679 0.675
148 HD1 TYR 22 HD1 TYR 22 9.165 4.439 -0.925
149 HD2 TYR 22 HD2 TYR 22 9.181 7.727 1.771
150 HE1 TYR 22 HE1 TYR 22 11.465 4.919 -1.550
151 HE2 TYR 22 HE2 TYR 22 11.494 8.229 1.140
152 HH TYR 22 HH TYR 22 13.001 6.869 -1.563
153 H THR 23 H THR 23 6.143 4.231 -0.885
154 HA THR 23 HA THR 23 7.067 4.920 -3.600
155 HB THR 23 HB THR 23 6.505 2.110 -2.669
156 HG1 THR 23 HG1 THR 23 8.620 2.058 -1.838
157 HG21 THR 23 HG21 THR 23 7.130 2.520 -5.023
158 HG22 THR 23 HG22 THR 23 8.377 1.602 -4.181
159 HG23 THR 23 HG23 THR 23 8.605 3.320 -4.486
160 H LYS 24 H LYS 24 4.252 4.580 -1.882
161 HA LYS 24 HA LYS 24 2.076 4.296 -2.264
162 HB2 LYS 24 HB2 LYS 24 2.645 4.358 -5.220
163 HB3 LYS 24 HB1 LYS 24 1.140 4.631 -4.399
164 HG2 LYS 24 HG2 LYS 24 3.504 6.477 -4.188
165 HG3 LYS 24 HG1 LYS 24 2.086 6.737 -5.202
166 HD2 LYS 24 HD2 LYS 24 0.675 6.686 -3.168
167 HD3 LYS 24 HD1 LYS 24 2.148 6.544 -2.202
168 HE2 LYS 24 HE2 LYS 24 2.943 8.658 -3.101
169 HE3 LYS 24 HE1 LYS 24 1.470 8.816 -4.059
170 HZ1 LYS 24 HZ1 LYS 24 1.713 8.876 -1.103
171 HZ2 LYS 24 HZ2 LYS 24 0.256 8.688 -1.904
172 HZ3 LYS 24 HZ3 LYS 24 1.156 10.100 -2.127
173 H ARG 25 H ARG 25 3.657 2.051 -1.864
174 HA ARG 25 HA ARG 25 2.111 0.114 -3.416
175 HB2 ARG 25 HB2 ARG 25 4.946 -0.287 -2.523
176 HB3 ARG 25 HB1 ARG 25 3.968 -1.492 -3.311
177 HG2 ARG 25 HG2 ARG 25 5.011 1.064 -4.532
178 HG3 ARG 25 HG1 ARG 25 5.483 -0.584 -4.939
179 HD2 ARG 25 HD2 ARG 25 3.027 -0.957 -5.612
180 HD3 ARG 25 HD1 ARG 25 2.860 0.756 -5.364
181 HE ARG 25 HE ARG 25 4.788 0.902 -7.045
182 HH11 ARG 25 HH11 ARG 25 2.154 -1.430 -7.217
183 HH12 ARG 25 HH12 ARG 25 1.991 -1.361 -8.906
184 HH21 ARG 25 HH21 ARG 25 4.618 0.979 -9.360
185 HH22 ARG 25 HH22 ARG 25 3.470 0.016 -10.166
186 H CYS 26 H CYS 26 1.839 -1.904 -2.349
187 HA CYS 26 HA CYS 26 0.993 -1.405 0.348
188 HB2 CYS 26 HB2 CYS 26 0.693 -3.840 -1.390
189 HB3 CYS 26 HB1 CYS 26 -0.063 -3.617 0.187
190 H ARG 27 H ARG 27 1.693 -2.279 2.126
191 HA ARG 27 HA ARG 27 4.407 -2.996 2.353
192 HB2 ARG 27 HB2 ARG 27 2.859 -1.862 4.071
193 HB3 ARG 27 HB1 ARG 27 2.251 -3.452 4.366
194 HG2 ARG 27 HG2 ARG 27 4.348 -4.285 5.133
195 HG3 ARG 27 HG1 ARG 27 5.152 -2.769 4.718
196 HD2 ARG 27 HD2 ARG 27 3.886 -1.584 6.374
197 HD3 ARG 27 HD1 ARG 27 2.910 -3.011 6.707
198 HE ARG 27 HE ARG 27 5.521 -3.742 7.154
199 HH11 ARG 27 HH11 ARG 27 3.430 -1.226 8.463
200 HH12 ARG 27 HH12 ARG 27 3.977 -1.410 10.059
201 HH21 ARG 27 HH21 ARG 27 6.298 -3.962 9.363
202 HH22 ARG 27 HH22 ARG 27 5.621 -2.985 10.578
203 H LYS 28 H LYS 28 5.346 -4.928 2.839
204 HA LYS 28 HA LYS 28 3.849 -7.408 2.268
205 HB2 LYS 28 HB2 LYS 28 6.798 -7.008 2.739
206 HB3 LYS 28 HB1 LYS 28 5.984 -8.380 2.039
207 HG2 LYS 28 HG2 LYS 28 5.485 -7.246 0.023
208 HG3 LYS 28 HG1 LYS 28 5.958 -5.695 0.704
209 HD2 LYS 28 HD2 LYS 28 7.715 -6.373 -0.754
210 HD3 LYS 28 HD1 LYS 28 8.300 -6.589 0.881
211 HE2 LYS 28 HE2 LYS 28 7.214 -8.811 -0.865
212 HE3 LYS 28 HE1 LYS 28 8.921 -8.434 -0.690
213 HZ1 LYS 28 HZ1 LYS 28 8.428 -10.238 0.736
214 HZ2 LYS 28 HZ2 LYS 28 7.077 -9.510 1.366
215 HZ3 LYS 28 HZ3 LYS 28 8.590 -8.928 1.779
216 H TYR 29 H TYR 29 4.838 -9.204 3.645
217 HA TYR 29 HA TYR 29 4.350 -8.562 6.441
218 HB2 TYR 29 HB2 TYR 29 5.129 -11.174 5.118
219 HB3 TYR 29 HB1 TYR 29 4.603 -10.988 6.773
220 HD1 TYR 29 HD1 TYR 29 3.606 -11.999 3.605
221 HD2 TYR 29 HD2 TYR 29 2.182 -9.756 6.931
222 HE1 TYR 29 HE1 TYR 29 1.313 -12.399 2.879
223 HE2 TYR 29 HE2 TYR 29 -0.125 -10.152 6.215
224 HH TYR 29 HH TYR 29 -0.958 -12.478 3.966
225 H TYR 30 H TYR 30 6.735 -10.303 4.603
226 HA TYR 30 HA TYR 30 8.906 -8.969 5.928
227 HB2 TYR 30 HB2 TYR 30 8.664 -11.944 5.381
228 HB3 TYR 30 HB1 TYR 30 10.163 -11.146 5.813
229 HD1 TYR 30 HD1 TYR 30 10.389 -10.163 8.082
230 HD2 TYR 30 HD2 TYR 30 7.079 -12.611 7.037
231 HE1 TYR 30 HE1 TYR 30 9.934 -10.535 10.450
232 HE2 TYR 30 HE2 TYR 30 6.607 -12.994 9.406
233 HH TYR 30 HH TYR 30 7.821 -12.938 11.554
Start of MODEL 14
1 H1 CYS 1 HT1 CYS 1 -9.649 -6.178 -0.284
2 H2 CYS 1 HT2 CYS 1 -8.456 -7.295 -0.712
3 H3 CYS 1 HT3 CYS 1 -9.119 -6.307 -1.888
4 HA CYS 1 HA CYS 1 -8.174 -4.394 -0.920
5 HB2 CYS 1 HB2 CYS 1 -6.457 -4.781 0.920
6 HB3 CYS 1 HB1 CYS 1 -8.141 -4.856 1.405
7 H LYS 2 H LYS 2 -5.879 -3.805 -1.159
8 HA LYS 2 HA LYS 2 -4.881 -5.079 -3.492
9 HB2 LYS 2 HB2 LYS 2 -3.558 -2.960 -1.782
10 HB3 LYS 2 HB1 LYS 2 -3.147 -3.416 -3.411
11 HG2 LYS 2 HG2 LYS 2 -5.759 -2.181 -2.625
12 HG3 LYS 2 HG1 LYS 2 -4.356 -1.293 -3.213
13 HD2 LYS 2 HD2 LYS 2 -4.452 -2.682 -5.283
14 HD3 LYS 2 HD1 LYS 2 -5.979 -3.350 -4.697
15 HE2 LYS 2 HE2 LYS 2 -6.959 -1.124 -4.627
16 HE3 LYS 2 HE1 LYS 2 -5.419 -0.422 -5.118
17 HZ1 LYS 2 HZ1 LYS 2 -5.604 -1.636 -7.202
18 HZ2 LYS 2 HZ2 LYS 2 -6.882 -0.573 -6.978
19 HZ3 LYS 2 HZ3 LYS 2 -7.123 -2.225 -6.746
20 HA PRO 3 HA PRO 3 -2.220 -7.921 -1.218
21 HB2 PRO 3 HB2 PRO 3 -1.044 -8.464 -3.857
22 HB3 PRO 3 HB1 PRO 3 -1.911 -9.568 -2.788
23 HG2 PRO 3 HG2 PRO 3 -2.987 -8.705 -5.094
24 HG3 PRO 3 HG1 PRO 3 -3.968 -9.001 -3.653
25 HD2 PRO 3 HD2 PRO 3 -2.984 -6.396 -4.748
26 HD3 PRO 3 HD1 PRO 3 -4.571 -6.852 -4.076
27 HA HYP 4 HA HYP 4 1.603 -5.719 -0.647
28 HB2 HYP 4 HB1 HYP 4 3.151 -7.158 0.213
29 HB3 HYP 4 HB2 HYP 4 3.048 -8.274 -1.161
30 HG HYP 4 HG HYP 4 1.869 -9.396 0.615
31 HD22 HYP 4 HD11 HYP 4 -0.601 -8.720 -0.136
32 HD23 HYP 4 HD12 HYP 4 0.492 -9.390 -1.374
33 HD1 HYP 4 HD2 HYP 4 1.674 -7.100 1.629
34 H GLY 5 H GLY 5 2.738 -4.473 -1.955
35 HA2 GLY 5 HA2 GLY 5 4.239 -4.041 -3.700
36 HA3 GLY 5 HA1 GLY 5 3.731 -5.532 -4.472
37 H SER 6 H SER 6 0.867 -4.624 -3.925
38 HA SER 6 HA SER 6 0.496 -3.394 -6.442
39 HB2 SER 6 HB2 SER 6 -1.289 -4.667 -5.841
40 HB3 SER 6 HB1 SER 6 -1.419 -3.970 -4.187
41 HG SER 6 HG SER 6 -2.336 -2.139 -5.211
42 H LYS 7 H LYS 7 -0.825 -1.632 -6.530
43 HA LYS 7 HA LYS 7 0.525 0.584 -5.125
44 HB2 LYS 7 HB2 LYS 7 -0.501 2.167 -6.740
45 HB3 LYS 7 HB1 LYS 7 0.465 0.929 -7.528
46 HG2 LYS 7 HG2 LYS 7 -1.489 -0.231 -8.268
47 HG3 LYS 7 HG1 LYS 7 -2.535 0.800 -7.294
48 HD2 LYS 7 HD2 LYS 7 -2.566 1.424 -9.685
49 HD3 LYS 7 HD1 LYS 7 -1.964 2.725 -8.660
50 HE2 LYS 7 HE2 LYS 7 0.322 2.174 -9.264
51 HE3 LYS 7 HE1 LYS 7 -0.235 0.805 -10.220
52 HZ1 LYS 7 HZ1 LYS 7 0.269 2.767 -11.572
53 HZ2 LYS 7 HZ2 LYS 7 -0.916 3.654 -10.778
54 HZ3 LYS 7 HZ3 LYS 7 -1.336 2.325 -11.710
55 H CYS 8 H CYS 8 -0.535 2.091 -3.968
56 HA CYS 8 HA CYS 8 -3.352 1.495 -3.372
57 HB2 CYS 8 HB2 CYS 8 -2.689 2.182 -0.985
58 HB3 CYS 8 HB1 CYS 8 -2.363 0.548 -1.544
59 H SER 9 H SER 9 -4.343 3.271 -1.931
60 HA SER 9 HA SER 9 -3.948 5.746 -3.266
61 HB2 SER 9 HB2 SER 9 -5.937 6.313 -2.047
62 HB3 SER 9 HB1 SER 9 -6.144 4.793 -2.923
63 HG SER 9 HG SER 9 -5.850 3.702 -0.965
64 HA HYP 10 HA HYP 10 -2.169 7.250 0.587
65 HB2 HYP 10 HB1 HYP 10 -1.380 9.221 -0.260
66 HB3 HYP 10 HB2 HYP 10 -2.935 9.998 0.044
67 HG HYP 10 HG HYP 10 -2.887 10.013 -2.324
68 HD22 HYP 10 HD11 HYP 10 -4.100 7.748 -2.904
69 HD23 HYP 10 HD12 HYP 10 -4.857 8.767 -1.652
70 HD1 HYP 10 HD2 HYP 10 -2.222 7.748 -3.155
71 H SER 11 H SER 11 -5.288 6.893 0.523
72 HA SER 11 HA SER 11 -5.650 8.168 3.114
73 HB2 SER 11 HB2 SER 11 -6.467 9.799 1.454
74 HB3 SER 11 HB1 SER 11 -7.602 8.601 0.848
75 HG SER 11 HG SER 11 -8.888 9.072 2.396
76 H MET 12 H MET 12 -6.666 5.589 0.859
77 HA MET 12 HA MET 12 -8.814 4.907 2.663
78 HB2 MET 12 HB2 MET 12 -7.954 3.636 0.084
79 HB3 MET 12 HB1 MET 12 -9.262 3.024 1.076
80 HG2 MET 12 HG2 MET 12 -10.398 5.227 0.796
81 HG3 MET 12 HG1 MET 12 -9.129 5.670 -0.345
82 HE1 MET 12 HE1 MET 12 -8.621 2.841 -1.848
83 HE2 MET 12 HE2 MET 12 -8.720 4.396 -2.668
84 HE3 MET 12 3HE MET 12 -9.700 3.043 -3.228
85 H ARG 13 H ARG 13 -5.600 4.034 2.313
86 HA ARG 13 HA ARG 13 -4.352 2.210 2.707
87 HB2 ARG 13 HB2 ARG 13 -4.752 2.993 4.993
88 HB3 ARG 13 HB1 ARG 13 -6.261 2.095 5.009
89 HG2 ARG 13 HG2 ARG 13 -4.991 -0.021 4.903
90 HG3 ARG 13 HG1 ARG 13 -3.483 0.885 4.834
91 HD2 ARG 13 HD2 ARG 13 -3.937 1.789 7.056
92 HD3 ARG 13 HD1 ARG 13 -5.446 0.871 7.122
93 HE ARG 13 HE ARG 13 -3.912 -1.128 6.817
94 HH11 ARG 13 HH11 ARG 13 -3.022 1.768 8.686
95 HH12 ARG 13 HH12 ARG 13 -1.841 0.936 9.599
96 HH21 ARG 13 HH21 ARG 13 -2.287 -2.193 8.080
97 HH22 ARG 13 HH22 ARG 13 -1.445 -1.347 9.286
98 H ASP 14 H ASP 14 -5.487 1.554 0.749
99 HA ASP 14 HA ASP 14 -7.504 -0.419 1.024
100 HB2 ASP 14 HB2 ASP 14 -7.385 -0.434 -1.519
101 HB3 ASP 14 HB1 ASP 14 -7.887 1.063 -0.749
102 H CYS 15 H CYS 15 -4.352 -0.645 1.390
103 HA CYS 15 HA CYS 15 -3.991 -3.211 0.077
104 HB2 CYS 15 HB2 CYS 15 -2.226 -2.053 2.231
105 HB3 CYS 15 HB1 CYS 15 -1.864 -3.303 1.092
106 H CYS 16 H CYS 16 -3.707 -5.126 1.152
107 HA CYS 16 HA CYS 16 -5.403 -5.592 3.343
108 HB2 CYS 16 HB2 CYS 16 -3.132 -7.265 2.306
109 HB3 CYS 16 HB1 CYS 16 -4.459 -7.824 3.321
110 H THR 17 H THR 17 -1.927 -5.027 3.083
111 HA THR 17 HA THR 17 -1.557 -5.423 5.920
112 HB THR 17 HB THR 17 0.838 -4.791 5.310
113 HG1 THR 17 HG1 THR 17 1.279 -4.949 3.021
114 HG21 THR 17 HG21 THR 17 0.132 -7.143 5.555
115 HG22 THR 17 HG22 THR 17 1.309 -6.977 4.252
116 HG23 THR 17 HG23 THR 17 -0.404 -7.155 3.875
117 H THR 18 H THR 18 -0.103 -2.949 3.944
118 HA THR 18 HA THR 18 -1.665 -0.810 4.857
119 HB THR 18 HB THR 18 -0.316 -1.193 6.909
120 HG1 THR 18 HG1 THR 18 0.013 0.864 7.206
121 HG21 THR 18 HG21 THR 18 1.670 -2.187 5.923
122 HG22 THR 18 HG22 THR 18 2.117 -0.776 6.883
123 HG23 THR 18 HG23 THR 18 2.057 -0.665 5.125
124 H CYS 19 H CYS 19 -0.429 1.244 4.092
125 HA CYS 19 HA CYS 19 0.570 0.606 1.389
126 HB2 CYS 19 HB2 CYS 19 -1.570 1.640 1.383
127 HB3 CYS 19 HB1 CYS 19 -1.031 2.954 2.440
128 H ILE 20 H ILE 20 2.641 0.955 1.272
129 HA ILE 20 HA ILE 20 4.099 2.588 3.108
130 HB ILE 20 HB ILE 20 5.025 1.471 0.439
131 HG12 ILE 20 HG12 ILE 20 5.028 0.200 3.185
132 HG13 ILE 20 HG11 ILE 20 4.183 -0.347 1.766
133 HG21 ILE 20 HG21 ILE 20 6.579 2.329 2.882
134 HG22 ILE 20 HG22 ILE 20 6.482 3.197 1.349
135 HG23 ILE 20 HG23 ILE 20 7.270 1.623 1.422
136 HD11 ILE 20 HD11 ILE 20 7.183 -0.278 2.000
137 HD12 ILE 20 HD12 ILE 20 6.247 -0.910 0.643
138 HD13 ILE 20 HD13 ILE 20 6.175 -1.706 2.216
139 H SER 21 H SER 21 3.553 4.668 2.992
140 HA SER 21 HA SER 21 2.475 6.127 0.977
141 HB2 SER 21 HB2 SER 21 4.316 7.142 3.124
142 HB3 SER 21 HB1 SER 21 3.047 8.045 2.289
143 HG SER 21 HG SER 21 1.890 7.375 3.904
144 H TYR 22 H TYR 22 5.874 5.565 1.542
145 HA TYR 22 HA TYR 22 7.088 7.517 -0.018
146 HB2 TYR 22 HB2 TYR 22 8.187 5.914 1.548
147 HB3 TYR 22 HB1 TYR 22 7.973 4.671 0.349
148 HD1 TYR 22 HD1 TYR 22 9.676 7.931 0.889
149 HD2 TYR 22 HD2 TYR 22 9.534 4.334 -1.374
150 HE1 TYR 22 HE1 TYR 22 11.816 8.504 -0.142
151 HE2 TYR 22 HE2 TYR 22 11.686 4.898 -2.414
152 HH TYR 22 HH TYR 22 13.705 7.324 -1.246
153 H THR 23 H THR 23 6.327 4.213 -0.909
154 HA THR 23 HA THR 23 6.796 4.859 -3.740
155 HB THR 23 HB THR 23 6.277 2.096 -2.681
156 HG1 THR 23 HG1 THR 23 8.797 2.333 -2.596
157 HG21 THR 23 HG21 THR 23 8.123 3.205 -4.819
158 HG22 THR 23 HG22 THR 23 6.558 2.458 -5.119
159 HG23 THR 23 HG23 THR 23 7.878 1.497 -4.449
160 H LYS 24 H LYS 24 4.191 4.595 -1.622
161 HA LYS 24 HA LYS 24 2.001 4.214 -1.692
162 HB2 LYS 24 HB2 LYS 24 2.157 4.786 -4.649
163 HB3 LYS 24 HB1 LYS 24 0.749 4.785 -3.639
164 HG2 LYS 24 HG2 LYS 24 3.012 6.711 -3.220
165 HG3 LYS 24 HG1 LYS 24 1.531 7.088 -4.108
166 HD2 LYS 24 HD2 LYS 24 0.212 6.594 -2.090
167 HD3 LYS 24 HD1 LYS 24 1.698 6.228 -1.213
168 HE2 LYS 24 HE2 LYS 24 0.898 8.468 -0.711
169 HE3 LYS 24 HE1 LYS 24 2.457 8.520 -1.525
170 HZ1 LYS 24 HZ1 LYS 24 0.926 10.169 -2.424
171 HZ2 LYS 24 HZ2 LYS 24 -0.186 8.964 -2.789
172 HZ3 LYS 24 HZ3 LYS 24 1.292 9.015 -3.593
173 H ARG 25 H ARG 25 3.475 2.027 -1.692
174 HA ARG 25 HA ARG 25 1.853 0.261 -3.332
175 HB2 ARG 25 HB2 ARG 25 4.767 -0.188 -2.689
176 HB3 ARG 25 HB1 ARG 25 3.733 -1.331 -3.504
177 HG2 ARG 25 HG2 ARG 25 4.610 1.352 -4.563
178 HG3 ARG 25 HG1 ARG 25 5.130 -0.234 -5.132
179 HD2 ARG 25 HD2 ARG 25 2.666 -0.681 -5.679
180 HD3 ARG 25 HD1 ARG 25 2.426 1.002 -5.281
181 HE ARG 25 HE ARG 25 3.958 1.587 -7.068
182 HH11 ARG 25 HH11 ARG 25 2.538 -1.652 -7.219
183 HH12 ARG 25 HH12 ARG 25 2.445 -1.680 -8.913
184 HH21 ARG 25 HH21 ARG 25 3.851 1.541 -9.390
185 HH22 ARG 25 HH22 ARG 25 3.197 0.182 -10.187
186 H CYS 26 H CYS 26 1.728 -1.895 -2.416
187 HA CYS 26 HA CYS 26 1.040 -1.584 0.343
188 HB2 CYS 26 HB2 CYS 26 0.718 -3.920 -1.518
189 HB3 CYS 26 HB1 CYS 26 0.006 -3.791 0.095
190 H ARG 27 H ARG 27 1.975 -2.372 2.014
191 HA ARG 27 HA ARG 27 4.680 -3.130 1.974
192 HB2 ARG 27 HB2 ARG 27 3.392 -2.018 3.862
193 HB3 ARG 27 HB1 ARG 27 2.710 -3.580 4.174
194 HG2 ARG 27 HG2 ARG 27 4.872 -4.566 4.598
195 HG3 ARG 27 HG1 ARG 27 5.651 -3.022 4.265
196 HD2 ARG 27 HD2 ARG 27 4.730 -2.042 6.188
197 HD3 ARG 27 HD1 ARG 27 3.610 -3.381 6.433
198 HE ARG 27 HE ARG 27 6.300 -4.244 6.410
199 HH11 ARG 27 HH11 ARG 27 4.168 -2.421 8.491
200 HH12 ARG 27 HH12 ARG 27 4.593 -3.175 9.949
201 HH21 ARG 27 HH21 ARG 27 6.970 -5.334 8.392
202 HH22 ARG 27 HH22 ARG 27 6.223 -4.954 9.876
203 H LYS 28 H LYS 28 5.649 -5.091 2.536
204 HA LYS 28 HA LYS 28 4.351 -7.515 1.664
205 HB2 LYS 28 HB2 LYS 28 6.932 -7.242 3.164
206 HB3 LYS 28 HB1 LYS 28 6.431 -8.547 2.131
207 HG2 LYS 28 HG2 LYS 28 6.565 -7.141 0.159
208 HG3 LYS 28 HG1 LYS 28 7.023 -5.764 1.157
209 HD2 LYS 28 HD2 LYS 28 8.602 -8.321 0.870
210 HD3 LYS 28 HD1 LYS 28 8.956 -6.811 0.035
211 HE2 LYS 28 HE2 LYS 28 9.278 -5.713 2.235
212 HE3 LYS 28 HE1 LYS 28 8.994 -7.266 3.017
213 HZ1 LYS 28 HZ1 LYS 28 11.234 -6.638 1.170
214 HZ2 LYS 28 HZ2 LYS 28 10.894 -8.149 1.794
215 HZ3 LYS 28 HZ3 LYS 28 11.331 -6.902 2.838
216 H TYR 29 H TYR 29 4.708 -9.393 3.158
217 HA TYR 29 HA TYR 29 3.299 -8.887 5.622
218 HB2 TYR 29 HB2 TYR 29 4.480 -11.407 4.450
219 HB3 TYR 29 HB1 TYR 29 3.532 -11.355 5.921
220 HD1 TYR 29 HD1 TYR 29 1.127 -10.113 5.524
221 HD2 TYR 29 HD2 TYR 29 3.423 -12.076 2.536
222 HE1 TYR 29 HE1 TYR 29 -0.903 -10.439 4.188
223 HE2 TYR 29 HE2 TYR 29 1.401 -12.397 1.188
224 HH TYR 29 HH TYR 29 -1.520 -10.834 1.774
225 H TYR 30 H TYR 30 6.305 -10.502 4.760
226 HA TYR 30 HA TYR 30 7.557 -9.445 7.132
227 HB2 TYR 30 HB2 TYR 30 7.893 -12.171 5.871
228 HB3 TYR 30 HB1 TYR 30 9.016 -11.518 7.051
229 HD1 TYR 30 HD1 TYR 30 5.557 -12.704 6.537
230 HD2 TYR 30 HD2 TYR 30 8.507 -11.562 9.375
231 HE1 TYR 30 HE1 TYR 30 4.185 -13.631 8.338
232 HE2 TYR 30 HE2 TYR 30 7.137 -12.490 11.179
233 HH TYR 30 HH TYR 30 4.496 -14.505 10.562
Start of MODEL 15
1 H1 CYS 1 HT1 CYS 1 -9.431 -6.525 -0.076
2 H2 CYS 1 HT2 CYS 1 -8.271 -7.587 -0.667
3 H3 CYS 1 HT3 CYS 1 -9.101 -6.605 -1.740
4 HA CYS 1 HA CYS 1 -8.065 -4.640 -0.673
5 HB2 CYS 1 HB2 CYS 1 -6.267 -5.014 0.858
6 HB3 CYS 1 HB1 CYS 1 -7.690 -5.825 1.491
7 H LYS 2 H LYS 2 -5.695 -4.184 -1.053
8 HA LYS 2 HA LYS 2 -4.881 -5.477 -3.514
9 HB2 LYS 2 HB2 LYS 2 -3.665 -3.189 -1.997
10 HB3 LYS 2 HB1 LYS 2 -3.119 -3.757 -3.555
11 HG2 LYS 2 HG2 LYS 2 -5.779 -2.470 -2.945
12 HG3 LYS 2 HG1 LYS 2 -4.450 -1.774 -3.867
13 HD2 LYS 2 HD2 LYS 2 -4.713 -3.637 -5.518
14 HD3 LYS 2 HD1 LYS 2 -6.149 -4.146 -4.628
15 HE2 LYS 2 HE2 LYS 2 -5.733 -1.491 -5.988
16 HE3 LYS 2 HE1 LYS 2 -6.767 -2.791 -6.552
17 HZ1 LYS 2 HZ1 LYS 2 -7.146 -1.205 -4.054
18 HZ2 LYS 2 HZ2 LYS 2 -8.132 -2.496 -4.556
19 HZ3 LYS 2 HZ3 LYS 2 -8.030 -1.098 -5.489
20 HA PRO 3 HA PRO 3 -1.885 -8.006 -1.396
21 HB2 PRO 3 HB2 PRO 3 -0.557 -8.950 -3.531
22 HB3 PRO 3 HB1 PRO 3 -2.227 -9.435 -3.210
23 HG2 PRO 3 HG2 PRO 3 -1.188 -7.381 -5.122
24 HG3 PRO 3 HG1 PRO 3 -2.438 -8.610 -5.383
25 HD2 PRO 3 HD2 PRO 3 -2.999 -6.005 -4.798
26 HD3 PRO 3 HD1 PRO 3 -4.065 -7.357 -4.358
27 HA HYP 4 HA HYP 4 1.966 -5.833 -0.786
28 HB2 HYP 4 HB1 HYP 4 3.244 -7.461 0.111
29 HB3 HYP 4 HB2 HYP 4 3.755 -7.919 -1.513
30 HG HYP 4 HG HYP 4 2.296 -9.663 -1.605
31 HD22 HYP 4 HD11 HYP 4 0.307 -8.296 0.212
32 HD23 HYP 4 HD12 HYP 4 -0.011 -9.270 -1.242
33 HD1 HYP 4 HD2 HYP 4 1.589 -10.381 0.370
34 H GLY 5 H GLY 5 3.073 -4.482 -1.963
35 HA2 GLY 5 HA2 GLY 5 4.452 -3.745 -3.634
36 HA3 GLY 5 HA1 GLY 5 4.209 -5.259 -4.465
37 H SER 6 H SER 6 1.176 -4.561 -3.981
38 HA SER 6 HA SER 6 0.822 -3.381 -6.536
39 HB2 SER 6 HB2 SER 6 -0.941 -4.712 -5.909
40 HB3 SER 6 HB1 SER 6 -1.170 -3.918 -4.310
41 HG SER 6 HG SER 6 -2.169 -2.282 -5.409
42 H LYS 7 H LYS 7 -0.518 -1.654 -6.660
43 HA LYS 7 HA LYS 7 0.685 0.617 -5.215
44 HB2 LYS 7 HB2 LYS 7 -0.355 2.090 -6.938
45 HB3 LYS 7 HB1 LYS 7 0.716 0.893 -7.643
46 HG2 LYS 7 HG2 LYS 7 -1.275 -0.478 -8.195
47 HG3 LYS 7 HG1 LYS 7 -2.280 0.828 -7.583
48 HD2 LYS 7 HD2 LYS 7 -1.369 2.346 -9.235
49 HD3 LYS 7 HD1 LYS 7 -0.299 1.075 -9.829
50 HE2 LYS 7 HE2 LYS 7 -2.279 -0.275 -10.411
51 HE3 LYS 7 HE1 LYS 7 -3.305 1.056 -9.883
52 HZ1 LYS 7 HZ1 LYS 7 -2.977 1.081 -12.278
53 HZ2 LYS 7 HZ2 LYS 7 -1.319 1.174 -12.067
54 HZ3 LYS 7 HZ3 LYS 7 -2.291 2.449 -11.576
55 H CYS 8 H CYS 8 -0.621 2.050 -4.065
56 HA CYS 8 HA CYS 8 -3.327 0.980 -3.586
57 HB2 CYS 8 HB2 CYS 8 -2.915 1.633 -1.162
58 HB3 CYS 8 HB1 CYS 8 -2.208 0.143 -1.767
59 H SER 9 H SER 9 -4.632 2.460 -2.149
60 HA SER 9 HA SER 9 -4.741 4.924 -3.385
61 HB2 SER 9 HB2 SER 9 -6.472 5.267 -1.673
62 HB3 SER 9 HB1 SER 9 -6.764 3.912 -2.774
63 HG SER 9 HG SER 9 -6.072 2.513 -1.131
64 HA HYP 10 HA HYP 10 -1.498 6.813 -1.100
65 HB2 HYP 10 HB1 HYP 10 -1.374 8.683 -2.377
66 HB3 HYP 10 HB2 HYP 10 -2.735 9.389 -1.493
67 HG HYP 10 HG HYP 10 -3.681 9.109 -3.674
68 HD22 HYP 10 HD11 HYP 10 -4.845 6.796 -3.405
69 HD23 HYP 10 HD12 HYP 10 -4.972 7.877 -1.992
70 HD1 HYP 10 HD2 HYP 10 -3.215 6.714 -4.300
71 H SER 11 H SER 11 -1.665 6.284 0.982
72 HA SER 11 HA SER 11 -1.865 6.549 3.194
73 HB2 SER 11 HB2 SER 11 -3.150 9.223 2.576
74 HB3 SER 11 HB1 SER 11 -2.453 8.735 4.120
75 HG SER 11 HG SER 11 -0.737 9.617 3.332
76 H MET 12 H MET 12 -4.381 5.875 1.259
77 HA MET 12 HA MET 12 -6.474 6.156 3.267
78 HB2 MET 12 HB2 MET 12 -6.692 4.983 0.503
79 HB3 MET 12 HB1 MET 12 -8.015 5.458 1.549
80 HG2 MET 12 HG2 MET 12 -6.003 7.277 0.274
81 HG3 MET 12 HG1 MET 12 -7.674 7.075 -0.226
82 HE1 MET 12 HE1 MET 12 -9.041 6.905 2.767
83 HE2 MET 12 HE2 MET 12 -9.756 7.804 1.428
84 HE3 MET 12 3HE MET 12 -9.508 8.591 2.984
85 H ARG 13 H ARG 13 -4.490 3.869 1.825
86 HA ARG 13 HA ARG 13 -3.922 1.743 2.207
87 HB2 ARG 13 HB2 ARG 13 -3.567 2.504 4.426
88 HB3 ARG 13 HB1 ARG 13 -5.285 2.348 4.755
89 HG2 ARG 13 HG2 ARG 13 -5.000 -0.150 4.422
90 HG3 ARG 13 HG1 ARG 13 -3.263 0.140 4.309
91 HD2 ARG 13 HD2 ARG 13 -3.847 -0.559 6.568
92 HD3 ARG 13 HD1 ARG 13 -3.316 1.125 6.574
93 HE ARG 13 HE ARG 13 -6.127 0.878 6.250
94 HH11 ARG 13 HH11 ARG 13 -3.626 0.875 8.732
95 HH12 ARG 13 HH12 ARG 13 -4.668 1.352 9.985
96 HH21 ARG 13 HH21 ARG 13 -7.549 1.507 7.907
97 HH22 ARG 13 HH22 ARG 13 -6.994 1.724 9.501
98 H ASP 14 H ASP 14 -5.153 0.899 0.541
99 HA ASP 14 HA ASP 14 -7.476 -0.615 1.436
100 HB2 ASP 14 HB2 ASP 14 -8.053 -0.815 -0.953
101 HB3 ASP 14 HB1 ASP 14 -8.009 0.864 -0.429
102 H CYS 15 H CYS 15 -4.579 -1.044 1.650
103 HA CYS 15 HA CYS 15 -4.176 -3.641 0.312
104 HB2 CYS 15 HB2 CYS 15 -2.371 -2.296 2.304
105 HB3 CYS 15 HB1 CYS 15 -1.926 -3.518 1.147
106 H CYS 16 H CYS 16 -4.020 -5.526 1.604
107 HA CYS 16 HA CYS 16 -5.414 -5.506 4.083
108 HB2 CYS 16 HB2 CYS 16 -3.739 -7.593 2.756
109 HB3 CYS 16 HB1 CYS 16 -4.366 -7.859 4.373
110 H THR 17 H THR 17 -2.038 -5.133 3.347
111 HA THR 17 HA THR 17 -1.306 -5.461 6.122
112 HB THR 17 HB THR 17 0.979 -4.792 5.223
113 HG1 THR 17 HG1 THR 17 1.106 -4.892 2.878
114 HG21 THR 17 HG21 THR 17 0.336 -7.164 5.492
115 HG22 THR 17 HG22 THR 17 1.346 -6.943 4.062
116 HG23 THR 17 HG23 THR 17 -0.399 -7.139 3.886
117 H THR 18 H THR 18 -0.161 -2.982 3.979
118 HA THR 18 HA THR 18 -1.751 -0.923 4.911
119 HB THR 18 HB THR 18 -0.296 -1.203 6.930
120 HG1 THR 18 HG1 THR 18 -0.641 0.833 7.103
121 HG21 THR 18 HG21 THR 18 1.779 -1.915 5.848
122 HG22 THR 18 HG22 THR 18 2.065 -0.466 6.820
123 HG23 THR 18 HG23 THR 18 1.929 -0.343 5.067
124 H CYS 19 H CYS 19 -0.982 1.087 3.950
125 HA CYS 19 HA CYS 19 0.249 0.577 1.326
126 HB2 CYS 19 HB2 CYS 19 -2.009 1.451 1.306
127 HB3 CYS 19 HB1 CYS 19 -1.579 2.768 2.395
128 H ILE 20 H ILE 20 2.227 1.287 1.150
129 HA ILE 20 HA ILE 20 3.386 2.948 3.217
130 HB ILE 20 HB ILE 20 4.630 1.865 0.658
131 HG12 ILE 20 HG12 ILE 20 4.024 -0.006 2.197
132 HG13 ILE 20 HG11 ILE 20 5.764 0.207 2.140
133 HG21 ILE 20 HG21 ILE 20 5.978 3.132 3.040
134 HG22 ILE 20 HG22 ILE 20 5.799 3.847 1.440
135 HG23 ILE 20 HG23 ILE 20 6.802 2.411 1.656
136 HD11 ILE 20 HD11 ILE 20 3.911 1.138 4.319
137 HD12 ILE 20 HD12 ILE 20 5.645 1.417 4.272
138 HD13 ILE 20 HD13 ILE 20 5.023 -0.233 4.383
139 H SER 21 H SER 21 2.514 4.915 3.097
140 HA SER 21 HA SER 21 1.347 6.248 1.123
141 HB2 SER 21 HB2 SER 21 2.955 7.507 3.328
142 HB3 SER 21 HB1 SER 21 1.536 8.177 2.516
143 HG SER 21 HG SER 21 0.789 7.236 4.364
144 H TYR 22 H TYR 22 4.829 6.366 1.749
145 HA TYR 22 HA TYR 22 5.543 8.566 0.190
146 HB2 TYR 22 HB2 TYR 22 6.974 7.288 1.795
147 HB3 TYR 22 HB1 TYR 22 7.113 6.036 0.592
148 HD1 TYR 22 HD1 TYR 22 7.806 9.650 1.092
149 HD2 TYR 22 HD2 TYR 22 8.845 6.086 -0.981
150 HE1 TYR 22 HE1 TYR 22 9.769 10.775 0.158
151 HE2 TYR 22 HE2 TYR 22 10.801 7.200 -1.931
152 HH TYR 22 HH TYR 22 11.588 9.525 -2.403
153 H THR 23 H THR 23 5.692 5.163 -0.683
154 HA THR 23 HA THR 23 6.107 5.828 -3.497
155 HB THR 23 HB THR 23 6.048 3.070 -2.274
156 HG1 THR 23 HG1 THR 23 8.541 4.066 -2.453
157 HG21 THR 23 HG21 THR 23 7.702 2.615 -4.048
158 HG22 THR 23 HG22 THR 23 7.599 4.301 -4.562
159 HG23 THR 23 HG23 THR 23 6.203 3.244 -4.740
160 H LYS 24 H LYS 24 3.575 5.035 -1.437
161 HA LYS 24 HA LYS 24 1.509 4.265 -1.528
162 HB2 LYS 24 HB2 LYS 24 1.561 5.245 -4.370
163 HB3 LYS 24 HB1 LYS 24 0.153 4.968 -3.386
164 HG2 LYS 24 HG2 LYS 24 0.436 6.778 -2.042
165 HG3 LYS 24 HG1 LYS 24 2.186 6.778 -2.228
166 HD2 LYS 24 HD2 LYS 24 1.954 7.586 -4.449
167 HD3 LYS 24 HD1 LYS 24 0.185 7.666 -4.291
168 HE2 LYS 24 HE2 LYS 24 1.210 9.892 -3.916
169 HE3 LYS 24 HE1 LYS 24 0.474 9.297 -2.430
170 HZ1 LYS 24 HZ1 LYS 24 2.678 10.271 -2.057
171 HZ2 LYS 24 HZ2 LYS 24 3.374 9.142 -3.077
172 HZ3 LYS 24 HZ3 LYS 24 2.657 8.642 -1.638
173 H ARG 25 H ARG 25 3.018 2.307 -1.524
174 HA ARG 25 HA ARG 25 1.830 0.400 -3.390
175 HB2 ARG 25 HB2 ARG 25 4.652 0.225 -2.321
176 HB3 ARG 25 HB1 ARG 25 3.868 -0.942 -3.351
177 HG2 ARG 25 HG2 ARG 25 4.677 1.852 -4.100
178 HG3 ARG 25 HG1 ARG 25 5.388 0.348 -4.682
179 HD2 ARG 25 HD2 ARG 25 3.048 -0.184 -5.630
180 HD3 ARG 25 HD1 ARG 25 2.661 1.462 -5.207
181 HE ARG 25 HE ARG 25 4.795 0.784 -7.087
182 HH11 ARG 25 HH11 ARG 25 2.224 2.988 -6.005
183 HH12 ARG 25 HH12 ARG 25 2.219 3.912 -7.425
184 HH21 ARG 25 HH21 ARG 25 4.773 2.098 -9.084
185 HH22 ARG 25 HH22 ARG 25 3.692 3.412 -9.185
186 H CYS 26 H CYS 26 1.813 -1.802 -2.441
187 HA CYS 26 HA CYS 26 0.936 -1.495 0.304
188 HB2 CYS 26 HB2 CYS 26 0.590 -3.784 -1.629
189 HB3 CYS 26 HB1 CYS 26 -0.061 -3.736 0.006
190 H ARG 27 H ARG 27 1.887 -2.330 1.934
191 HA ARG 27 HA ARG 27 4.553 -3.244 1.814
192 HB2 ARG 27 HB2 ARG 27 3.322 -2.030 3.709
193 HB3 ARG 27 HB1 ARG 27 2.584 -3.549 4.033
194 HG2 ARG 27 HG2 ARG 27 4.633 -4.633 4.561
195 HG3 ARG 27 HG1 ARG 27 5.560 -3.202 4.115
196 HD2 ARG 27 HD2 ARG 27 4.679 -1.974 5.909
197 HD3 ARG 27 HD1 ARG 27 3.473 -3.205 6.276
198 HE ARG 27 HE ARG 27 5.901 -4.466 6.417
199 HH11 ARG 27 HH11 ARG 27 4.526 -1.714 8.177
200 HH12 ARG 27 HH12 ARG 27 5.093 -2.221 9.685
201 HH21 ARG 27 HH21 ARG 27 6.684 -5.145 8.482
202 HH22 ARG 27 HH22 ARG 27 6.384 -4.214 9.879
203 H LYS 28 H LYS 28 5.307 -5.375 2.471
204 HA LYS 28 HA LYS 28 3.374 -7.490 1.975
205 HB2 LYS 28 HB2 LYS 28 5.383 -8.995 2.393
206 HB3 LYS 28 HB1 LYS 28 5.277 -8.170 0.866
207 HG2 LYS 28 HG2 LYS 28 6.931 -6.522 1.761
208 HG3 LYS 28 HG1 LYS 28 6.978 -7.446 3.268
209 HD2 LYS 28 HD2 LYS 28 7.812 -9.385 2.079
210 HD3 LYS 28 HD1 LYS 28 7.676 -8.536 0.540
211 HE2 LYS 28 HE2 LYS 28 9.991 -8.604 1.381
212 HE3 LYS 28 HE1 LYS 28 9.374 -6.959 1.239
213 HZ1 LYS 28 HZ1 LYS 28 9.372 -8.486 3.781
214 HZ2 LYS 28 HZ2 LYS 28 9.114 -6.828 3.576
215 HZ3 LYS 28 HZ3 LYS 28 10.644 -7.473 3.332
216 H TYR 29 H TYR 29 3.675 -9.439 3.253
217 HA TYR 29 HA TYR 29 2.751 -8.822 5.911
218 HB2 TYR 29 HB2 TYR 29 3.201 -11.366 4.405
219 HB3 TYR 29 HB1 TYR 29 2.865 -11.403 6.117
220 HD1 TYR 29 HD1 TYR 29 1.496 -10.774 2.762
221 HD2 TYR 29 HD2 TYR 29 0.612 -10.790 6.931
222 HE1 TYR 29 HE1 TYR 29 -0.905 -10.722 2.251
223 HE2 TYR 29 HE2 TYR 29 -1.778 -10.728 6.437
224 HH TYR 29 HH TYR 29 -3.266 -10.136 4.694
225 H TYR 30 H TYR 30 5.468 -10.507 4.561
226 HA TYR 30 HA TYR 30 6.809 -10.302 7.107
227 HB2 TYR 30 HB2 TYR 30 7.494 -11.981 4.680
228 HB3 TYR 30 HB1 TYR 30 8.399 -11.980 6.191
229 HD1 TYR 30 HD1 TYR 30 5.363 -13.098 4.500
230 HD2 TYR 30 HD2 TYR 30 7.442 -12.971 8.196
231 HE1 TYR 30 HE1 TYR 30 3.850 -14.804 5.389
232 HE2 TYR 30 HE2 TYR 30 5.945 -14.680 9.108
233 HH TYR 30 HH TYR 30 3.679 -15.466 8.690
Start of MODEL 16
1 H1 CYS 1 HT1 CYS 1 -9.469 -6.178 -1.537
2 H2 CYS 1 HT2 CYS 1 -9.668 -6.465 0.122
3 H3 CYS 1 HT3 CYS 1 -8.669 -7.467 -0.809
4 HA CYS 1 HA CYS 1 -8.186 -4.609 -0.360
5 HB2 CYS 1 HB2 CYS 1 -6.262 -5.443 0.990
6 HB3 CYS 1 HB1 CYS 1 -7.826 -5.692 1.732
7 H LYS 2 H LYS 2 -5.927 -4.100 -0.901
8 HA LYS 2 HA LYS 2 -5.268 -5.280 -3.462
9 HB2 LYS 2 HB2 LYS 2 -3.881 -3.001 -2.026
10 HB3 LYS 2 HB1 LYS 2 -3.641 -3.489 -3.689
11 HG2 LYS 2 HG2 LYS 2 -6.169 -2.371 -2.530
12 HG3 LYS 2 HG1 LYS 2 -5.019 -1.517 -3.552
13 HD2 LYS 2 HD2 LYS 2 -5.487 -3.100 -5.370
14 HD3 LYS 2 HD1 LYS 2 -6.646 -3.935 -4.335
15 HE2 LYS 2 HE2 LYS 2 -7.969 -1.896 -4.165
16 HE3 LYS 2 HE1 LYS 2 -6.814 -1.060 -5.199
17 HZ1 LYS 2 HZ1 LYS 2 -8.453 -3.401 -5.984
18 HZ2 LYS 2 HZ2 LYS 2 -7.362 -2.594 -6.974
19 HZ3 LYS 2 HZ3 LYS 2 -8.743 -1.803 -6.432
20 HA PRO 3 HA PRO 3 -2.335 -8.114 -1.847
21 HB2 PRO 3 HB2 PRO 3 -0.910 -8.560 -4.130
22 HB3 PRO 3 HB1 PRO 3 -2.531 -9.218 -3.869
23 HG2 PRO 3 HG2 PRO 3 -1.703 -6.766 -5.373
24 HG3 PRO 3 HG1 PRO 3 -2.848 -8.033 -5.856
25 HD2 PRO 3 HD2 PRO 3 -3.692 -5.698 -4.868
26 HD3 PRO 3 HD1 PRO 3 -4.526 -7.215 -4.471
27 HA HYP 4 HA HYP 4 1.366 -5.890 -0.719
28 HB2 HYP 4 HB1 HYP 4 2.541 -7.496 0.397
29 HB3 HYP 4 HB2 HYP 4 3.104 -8.165 -1.143
30 HG HYP 4 HG HYP 4 1.811 -9.952 -0.474
31 HD22 HYP 4 HD11 HYP 4 -0.691 -9.251 -1.174
32 HD23 HYP 4 HD12 HYP 4 0.586 -9.328 -2.410
33 HD1 HYP 4 HD2 HYP 4 0.479 -9.887 1.040
34 H GLY 5 H GLY 5 2.417 -4.510 -1.944
35 HA2 GLY 5 HA2 GLY 5 4.048 -3.969 -3.529
36 HA3 GLY 5 HA1 GLY 5 3.673 -5.440 -4.403
37 H SER 6 H SER 6 0.712 -4.599 -3.885
38 HA SER 6 HA SER 6 0.342 -3.314 -6.374
39 HB2 SER 6 HB2 SER 6 -1.447 -4.572 -5.735
40 HB3 SER 6 HB1 SER 6 -1.553 -3.861 -4.081
41 HG SER 6 HG SER 6 -2.463 -2.061 -5.090
42 H LYS 7 H LYS 7 -0.950 -1.524 -6.401
43 HA LYS 7 HA LYS 7 0.512 0.664 -5.069
44 HB2 LYS 7 HB2 LYS 7 -1.598 0.896 -7.236
45 HB3 LYS 7 HB1 LYS 7 -0.613 2.216 -6.625
46 HG2 LYS 7 HG2 LYS 7 1.401 0.984 -7.457
47 HG3 LYS 7 HG1 LYS 7 0.307 -0.163 -8.227
48 HD2 LYS 7 HD2 LYS 7 0.406 2.808 -8.754
49 HD3 LYS 7 HD1 LYS 7 1.103 1.564 -9.784
50 HE2 LYS 7 HE2 LYS 7 -1.098 0.648 -10.215
51 HE3 LYS 7 HE1 LYS 7 -1.829 1.812 -9.109
52 HZ1 LYS 7 HZ1 LYS 7 -1.076 3.592 -10.546
53 HZ2 LYS 7 HZ2 LYS 7 -2.053 2.521 -11.397
54 HZ3 LYS 7 HZ3 LYS 7 -0.382 2.481 -11.611
55 H CYS 8 H CYS 8 -0.573 2.190 -3.787
56 HA CYS 8 HA CYS 8 -3.224 1.243 -2.959
57 HB2 CYS 8 HB2 CYS 8 -2.688 2.312 -0.729
58 HB3 CYS 8 HB1 CYS 8 -1.943 0.775 -1.121
59 H SER 9 H SER 9 -4.646 2.692 -1.998
60 HA SER 9 HA SER 9 -5.047 4.985 -3.558
61 HB2 SER 9 HB2 SER 9 -6.963 5.177 -1.984
62 HB3 SER 9 HB1 SER 9 -6.897 3.647 -2.876
63 HG SER 9 HG SER 9 -6.124 2.665 -1.048
64 HA HYP 10 HA HYP 10 -2.793 7.955 -1.250
65 HB2 HYP 10 HB1 HYP 10 -3.311 9.739 -2.561
66 HB3 HYP 10 HB2 HYP 10 -4.698 10.061 -1.517
67 HG HYP 10 HG HYP 10 -5.874 9.539 -3.481
68 HD22 HYP 10 HD11 HYP 10 -6.032 6.879 -3.455
69 HD23 HYP 10 HD12 HYP 10 -6.477 7.737 -1.965
70 HD1 HYP 10 HD2 HYP 10 -4.827 7.650 -4.683
71 H SER 11 H SER 11 -2.814 7.240 0.812
72 HA SER 11 HA SER 11 -3.068 7.317 3.029
73 HB2 SER 11 HB2 SER 11 -4.868 9.692 2.519
74 HB3 SER 11 HB1 SER 11 -4.089 9.283 4.053
75 HG SER 11 HG SER 11 -2.441 10.356 3.351
76 H MET 12 H MET 12 -5.318 6.132 1.139
77 HA MET 12 HA MET 12 -7.428 5.955 3.145
78 HB2 MET 12 HB2 MET 12 -7.367 4.923 0.310
79 HB3 MET 12 HB1 MET 12 -8.733 4.746 1.395
80 HG2 MET 12 HG2 MET 12 -9.013 7.137 1.489
81 HG3 MET 12 HG1 MET 12 -7.574 7.367 0.494
82 HE1 MET 12 HE1 MET 12 -9.007 8.924 -1.115
83 HE2 MET 12 HE2 MET 12 -10.429 8.653 -0.109
84 HE3 MET 12 3HE MET 12 -10.526 8.425 -1.856
85 H ARG 13 H ARG 13 -4.970 4.137 1.785
86 HA ARG 13 HA ARG 13 -4.023 2.129 2.195
87 HB2 ARG 13 HB2 ARG 13 -3.783 3.102 4.362
88 HB3 ARG 13 HB1 ARG 13 -5.425 2.638 4.763
89 HG2 ARG 13 HG2 ARG 13 -4.678 0.262 4.617
90 HG3 ARG 13 HG1 ARG 13 -3.020 0.841 4.393
91 HD2 ARG 13 HD2 ARG 13 -4.810 1.353 6.752
92 HD3 ARG 13 HD1 ARG 13 -3.433 0.251 6.726
93 HE ARG 13 HE ARG 13 -2.278 2.545 6.061
94 HH11 ARG 13 HH11 ARG 13 -4.648 1.896 8.598
95 HH12 ARG 13 HH12 ARG 13 -4.030 3.054 9.679
96 HH21 ARG 13 HH21 ARG 13 -1.408 4.150 7.532
97 HH22 ARG 13 HH22 ARG 13 -2.125 4.362 9.057
98 H ASP 14 H ASP 14 -5.240 1.094 0.571
99 HA ASP 14 HA ASP 14 -7.542 -0.498 1.402
100 HB2 ASP 14 HB2 ASP 14 -7.957 -0.659 -1.046
101 HB3 ASP 14 HB1 ASP 14 -8.040 0.982 -0.420
102 H CYS 15 H CYS 15 -4.599 -1.051 1.675
103 HA CYS 15 HA CYS 15 -4.143 -3.325 -0.065
104 HB2 CYS 15 HB2 CYS 15 -2.453 -2.351 2.240
105 HB3 CYS 15 HB1 CYS 15 -1.999 -3.495 1.013
106 H CYS 16 H CYS 16 -3.362 -5.369 0.935
107 HA CYS 16 HA CYS 16 -5.166 -6.272 2.957
108 HB2 CYS 16 HB2 CYS 16 -2.774 -7.608 1.698
109 HB3 CYS 16 HB1 CYS 16 -3.968 -8.413 2.706
110 H THR 17 H THR 17 -1.806 -5.310 2.793
111 HA THR 17 HA THR 17 -1.422 -5.902 5.606
112 HB THR 17 HB THR 17 0.939 -5.107 5.071
113 HG1 THR 17 HG1 THR 17 1.362 -5.153 2.720
114 HG21 THR 17 HG21 THR 17 -0.153 -7.425 3.443
115 HG22 THR 17 HG22 THR 17 0.359 -7.509 5.129
116 HG23 THR 17 HG23 THR 17 1.543 -7.180 3.862
117 H THR 18 H THR 18 -0.089 -3.244 3.794
118 HA THR 18 HA THR 18 -1.775 -1.230 4.760
119 HB THR 18 HB THR 18 -0.474 -1.662 6.843
120 HG1 THR 18 HG1 THR 18 -0.472 0.426 7.226
121 HG21 THR 18 HG21 THR 18 1.911 -1.054 6.938
122 HG22 THR 18 HG22 THR 18 1.912 -0.818 5.191
123 HG23 THR 18 HG23 THR 18 1.632 -2.425 5.866
124 H CYS 19 H CYS 19 -0.605 0.911 4.215
125 HA CYS 19 HA CYS 19 0.394 0.551 1.466
126 HB2 CYS 19 HB2 CYS 19 -1.719 1.560 1.415
127 HB3 CYS 19 HB1 CYS 19 -1.393 2.597 2.792
128 H ILE 20 H ILE 20 2.468 1.002 1.293
129 HA ILE 20 HA ILE 20 3.958 2.441 3.247
130 HB ILE 20 HB ILE 20 4.781 1.758 0.406
131 HG12 ILE 20 HG12 ILE 20 4.986 0.061 2.913
132 HG13 ILE 20 HG11 ILE 20 4.027 -0.271 1.496
133 HG21 ILE 20 HG21 ILE 20 6.241 3.362 1.527
134 HG22 ILE 20 HG22 ILE 20 7.066 1.818 1.332
135 HG23 ILE 20 HG23 ILE 20 6.414 2.274 2.905
136 HD11 ILE 20 HD11 ILE 20 6.065 -1.637 1.545
137 HD12 ILE 20 HD12 ILE 20 7.034 -0.168 1.492
138 HD13 ILE 20 HD13 ILE 20 5.988 -0.585 0.135
139 H SER 21 H SER 21 3.608 4.568 3.418
140 HA SER 21 HA SER 21 2.404 6.097 1.432
141 HB2 SER 21 HB2 SER 21 3.086 7.974 3.093
142 HB3 SER 21 HB1 SER 21 1.933 6.737 3.595
143 HG SER 21 HG SER 21 4.552 7.169 4.404
144 H TYR 22 H TYR 22 5.577 5.157 1.594
145 HA TYR 22 HA TYR 22 6.753 7.558 0.453
146 HB2 TYR 22 HB2 TYR 22 7.925 5.897 2.005
147 HB3 TYR 22 HB1 TYR 22 7.976 4.819 0.640
148 HD1 TYR 22 HD1 TYR 22 9.441 7.825 2.098
149 HD2 TYR 22 HD2 TYR 22 9.417 5.302 -1.333
150 HE1 TYR 22 HE1 TYR 22 11.546 8.826 1.343
151 HE2 TYR 22 HE2 TYR 22 11.505 6.294 -2.093
152 HH TYR 22 HH TYR 22 12.797 8.364 -1.790
153 H THR 23 H THR 23 6.332 4.162 -0.580
154 HA THR 23 HA THR 23 6.895 4.866 -3.339
155 HB THR 23 HB THR 23 6.746 2.331 -3.626
156 HG1 THR 23 HG1 THR 23 6.805 1.136 -1.732
157 HG21 THR 23 HG21 THR 23 8.766 3.408 -1.647
158 HG22 THR 23 HG22 THR 23 8.891 3.542 -3.402
159 HG23 THR 23 HG23 THR 23 8.952 1.957 -2.633
160 H LYS 24 H LYS 24 4.179 4.587 -1.416
161 HA LYS 24 HA LYS 24 1.959 4.486 -1.715
162 HB2 LYS 24 HB2 LYS 24 2.263 4.690 -4.696
163 HB3 LYS 24 HB1 LYS 24 0.974 5.238 -3.687
164 HG2 LYS 24 HG2 LYS 24 3.699 6.544 -3.676
165 HG3 LYS 24 HG1 LYS 24 2.306 7.141 -4.572
166 HD2 LYS 24 HD2 LYS 24 2.371 6.777 -1.570
167 HD3 LYS 24 HD1 LYS 24 2.720 8.302 -2.384
168 HE2 LYS 24 HE2 LYS 24 0.475 8.266 -3.373
169 HE3 LYS 24 HE1 LYS 24 0.121 6.766 -2.512
170 HZ1 LYS 24 HZ1 LYS 24 0.382 7.927 -0.425
171 HZ2 LYS 24 HZ2 LYS 24 -0.745 8.740 -1.355
172 HZ3 LYS 24 HZ3 LYS 24 0.808 9.347 -1.213
173 H ARG 25 H ARG 25 3.487 2.137 -1.665
174 HA ARG 25 HA ARG 25 1.827 0.384 -3.333
175 HB2 ARG 25 HB2 ARG 25 4.659 -0.122 -2.449
176 HB3 ARG 25 HB1 ARG 25 3.661 -1.266 -3.323
177 HG2 ARG 25 HG2 ARG 25 4.827 1.323 -4.319
178 HG3 ARG 25 HG1 ARG 25 5.181 -0.315 -4.865
179 HD2 ARG 25 HD2 ARG 25 2.708 -0.434 -5.530
180 HD3 ARG 25 HD1 ARG 25 2.688 1.292 -5.257
181 HE ARG 25 HE ARG 25 4.211 -0.099 -7.314
182 HH11 ARG 25 HH11 ARG 25 3.286 3.001 -5.915
183 HH12 ARG 25 HH12 ARG 25 3.369 3.865 -7.367
184 HH21 ARG 25 HH21 ARG 25 4.294 1.036 -9.309
185 HH22 ARG 25 HH22 ARG 25 3.943 2.708 -9.399
186 H CYS 26 H CYS 26 1.653 -1.820 -2.378
187 HA CYS 26 HA CYS 26 0.964 -1.521 0.393
188 HB2 CYS 26 HB2 CYS 26 0.595 -3.829 -1.515
189 HB3 CYS 26 HB1 CYS 26 -0.096 -3.714 0.102
190 H ARG 27 H ARG 27 1.939 -2.467 1.990
191 HA ARG 27 HA ARG 27 4.679 -3.116 1.835
192 HB2 ARG 27 HB2 ARG 27 3.364 -2.222 3.839
193 HB3 ARG 27 HB1 ARG 27 2.774 -3.839 4.033
194 HG2 ARG 27 HG2 ARG 27 5.045 -4.717 4.247
195 HG3 ARG 27 HG1 ARG 27 5.664 -3.073 4.164
196 HD2 ARG 27 HD2 ARG 27 4.641 -2.510 6.227
197 HD3 ARG 27 HD1 ARG 27 3.731 -4.030 6.273
198 HE ARG 27 HE ARG 27 6.477 -4.534 6.030
199 HH11 ARG 27 HH11 ARG 27 4.153 -3.538 8.557
200 HH12 ARG 27 HH12 ARG 27 5.058 -4.228 9.812
201 HH21 ARG 27 HH21 ARG 27 7.617 -5.548 7.743
202 HH22 ARG 27 HH22 ARG 27 7.077 -5.396 9.348
203 H LYS 28 H LYS 28 5.743 -5.133 2.108
204 HA LYS 28 HA LYS 28 4.345 -7.582 1.463
205 HB2 LYS 28 HB2 LYS 28 7.125 -7.063 2.520
206 HB3 LYS 28 HB1 LYS 28 6.490 -8.633 2.142
207 HG2 LYS 28 HG2 LYS 28 6.870 -6.422 0.134
208 HG3 LYS 28 HG1 LYS 28 7.910 -7.833 0.351
209 HD2 LYS 28 HD2 LYS 28 5.891 -9.272 -0.112
210 HD3 LYS 28 HD1 LYS 28 5.034 -7.794 -0.541
211 HE2 LYS 28 HE2 LYS 28 5.856 -8.864 -2.540
212 HE3 LYS 28 HE1 LYS 28 6.712 -7.343 -2.281
213 HZ1 LYS 28 HZ1 LYS 28 8.272 -9.121 -2.895
214 HZ2 LYS 28 HZ2 LYS 28 7.722 -10.049 -1.617
215 HZ3 LYS 28 HZ3 LYS 28 8.555 -8.641 -1.306
216 H TYR 29 H TYR 29 5.132 -9.360 3.039
217 HA TYR 29 HA TYR 29 3.312 -9.069 5.213
218 HB2 TYR 29 HB2 TYR 29 5.194 -11.284 4.485
219 HB3 TYR 29 HB1 TYR 29 4.025 -11.390 5.788
220 HD1 TYR 29 HD1 TYR 29 1.536 -10.926 5.102
221 HD2 TYR 29 HD2 TYR 29 4.594 -11.896 2.309
222 HE1 TYR 29 HE1 TYR 29 -0.165 -11.541 3.465
223 HE2 TYR 29 HE2 TYR 29 2.907 -12.513 0.664
224 HH TYR 29 HH TYR 29 0.528 -13.268 0.674
225 H TYR 30 H TYR 30 6.727 -9.855 5.186
226 HA TYR 30 HA TYR 30 6.920 -8.558 7.761
227 HB2 TYR 30 HB2 TYR 30 8.679 -10.713 6.573
228 HB3 TYR 30 HB1 TYR 30 9.037 -9.879 8.081
229 HD1 TYR 30 HD1 TYR 30 7.035 -12.439 6.469
230 HD2 TYR 30 HD2 TYR 30 7.574 -10.202 10.038
231 HE1 TYR 30 HE1 TYR 30 5.614 -14.036 7.678
232 HE2 TYR 30 HE2 TYR 30 6.178 -11.773 11.258
233 HH TYR 30 HH TYR 30 5.234 -14.786 9.983
Start of MODEL 17
1 H1 CYS 1 HT1 CYS 1 -9.204 -7.111 -1.968
2 H2 CYS 1 HT2 CYS 1 -9.578 -7.138 -0.306
3 H3 CYS 1 HT3 CYS 1 -8.348 -8.139 -0.945
4 HA CYS 1 HA CYS 1 -8.286 -5.212 -0.946
5 HB2 CYS 1 HB2 CYS 1 -6.410 -5.577 0.685
6 HB3 CYS 1 HB1 CYS 1 -8.011 -5.904 1.319
7 H LYS 2 H LYS 2 -6.052 -4.496 -1.349
8 HA LYS 2 HA LYS 2 -5.055 -6.042 -3.555
9 HB2 LYS 2 HB2 LYS 2 -4.509 -3.239 -2.678
10 HB3 LYS 2 HB1 LYS 2 -3.503 -3.999 -3.897
11 HG2 LYS 2 HG2 LYS 2 -5.543 -4.459 -5.252
12 HG3 LYS 2 HG1 LYS 2 -6.501 -3.606 -4.054
13 HD2 LYS 2 HD2 LYS 2 -4.227 -2.271 -5.514
14 HD3 LYS 2 HD1 LYS 2 -5.832 -2.372 -6.214
15 HE2 LYS 2 HE2 LYS 2 -5.600 -0.236 -5.168
16 HE3 LYS 2 HE1 LYS 2 -6.711 -1.195 -4.198
17 HZ1 LYS 2 HZ1 LYS 2 -4.865 -1.638 -2.676
18 HZ2 LYS 2 HZ2 LYS 2 -5.266 -0.047 -2.777
19 HZ3 LYS 2 HZ3 LYS 2 -3.864 -0.617 -3.603
20 HA PRO 3 HA PRO 3 -1.985 -8.049 -1.220
21 HB2 PRO 3 HB2 PRO 3 -0.661 -9.189 -3.279
22 HB3 PRO 3 HB1 PRO 3 -2.298 -9.693 -2.839
23 HG2 PRO 3 HG2 PRO 3 -1.422 -7.779 -4.973
24 HG3 PRO 3 HG1 PRO 3 -2.558 -9.135 -5.100
25 HD2 PRO 3 HD2 PRO 3 -3.406 -6.622 -4.802
26 HD3 PRO 3 HD1 PRO 3 -4.250 -7.991 -4.045
27 HA HYP 4 HA HYP 4 1.820 -5.780 -0.900
28 HB2 HYP 4 HB1 HYP 4 3.479 -7.147 -0.175
29 HB3 HYP 4 HB2 HYP 4 3.374 -8.199 -1.592
30 HG HYP 4 HG HYP 4 2.389 -9.515 0.138
31 HD22 HYP 4 HD11 HYP 4 -0.171 -8.936 -0.363
32 HD23 HYP 4 HD12 HYP 4 0.862 -9.485 -1.703
33 HD1 HYP 4 HD2 HYP 4 1.873 -7.124 1.156
34 H GLY 5 H GLY 5 2.887 -4.485 -2.199
35 HA2 GLY 5 HA2 GLY 5 4.298 -3.963 -3.959
36 HA3 GLY 5 HA1 GLY 5 3.850 -5.473 -4.732
37 H SER 6 H SER 6 0.967 -4.703 -4.155
38 HA SER 6 HA SER 6 0.529 -3.451 -6.639
39 HB2 SER 6 HB2 SER 6 -1.177 -4.821 -6.026
40 HB3 SER 6 HB1 SER 6 -1.326 -4.133 -4.368
41 HG SER 6 HG SER 6 -2.274 -2.330 -5.392
42 H LYS 7 H LYS 7 -0.847 -1.763 -6.703
43 HA LYS 7 HA LYS 7 0.443 0.566 -5.454
44 HB2 LYS 7 HB2 LYS 7 -0.893 1.995 -6.958
45 HB3 LYS 7 HB1 LYS 7 -0.054 0.751 -7.866
46 HG2 LYS 7 HG2 LYS 7 -2.123 -0.518 -8.090
47 HG3 LYS 7 HG1 LYS 7 -2.969 0.665 -7.093
48 HD2 LYS 7 HD2 LYS 7 -2.488 2.408 -8.745
49 HD3 LYS 7 HD1 LYS 7 -1.639 1.232 -9.741
50 HE2 LYS 7 HE2 LYS 7 -4.567 1.102 -9.008
51 HE3 LYS 7 HE1 LYS 7 -3.940 1.709 -10.532
52 HZ1 LYS 7 HZ1 LYS 7 -4.709 -0.547 -10.717
53 HZ2 LYS 7 HZ2 LYS 7 -3.666 -1.085 -9.531
54 HZ3 LYS 7 HZ3 LYS 7 -3.052 -0.493 -10.994
55 H CYS 8 H CYS 8 -0.710 2.098 -4.149
56 HA CYS 8 HA CYS 8 -3.352 1.159 -3.355
57 HB2 CYS 8 HB2 CYS 8 -2.748 1.859 -1.009
58 HB3 CYS 8 HB1 CYS 8 -2.160 0.313 -1.600
59 H SER 9 H SER 9 -4.593 2.641 -2.077
60 HA SER 9 HA SER 9 -4.553 5.170 -3.252
61 HB2 SER 9 HB2 SER 9 -6.125 3.925 -1.065
62 HB3 SER 9 HB1 SER 9 -6.592 5.347 -2.023
63 HG SER 9 HG SER 9 -6.188 3.729 -3.840
64 HA HYP 10 HA HYP 10 -1.229 6.652 -0.818
65 HB2 HYP 10 HB1 HYP 10 -1.155 8.718 -1.679
66 HB3 HYP 10 HB2 HYP 10 -2.479 9.260 -0.634
67 HG HYP 10 HG HYP 10 -3.480 9.308 -2.883
68 HD22 HYP 10 HD11 HYP 10 -4.730 7.059 -2.819
69 HD23 HYP 10 HD12 HYP 10 -4.723 7.881 -1.231
70 HD1 HYP 10 HD2 HYP 10 -2.764 6.780 -3.279
71 H SER 11 H SER 11 -3.861 8.599 0.603
72 HA SER 11 HA SER 11 -2.748 7.869 3.166
73 HB2 SER 11 HB2 SER 11 -4.809 9.967 2.476
74 HB3 SER 11 HB1 SER 11 -3.938 9.794 4.000
75 HG SER 11 HG SER 11 -3.198 11.274 2.105
76 H MET 12 H MET 12 -4.839 6.428 1.305
77 HA MET 12 HA MET 12 -7.014 6.131 3.209
78 HB2 MET 12 HB2 MET 12 -6.634 4.958 0.468
79 HB3 MET 12 HB1 MET 12 -8.054 4.672 1.463
80 HG2 MET 12 HG2 MET 12 -8.614 7.021 1.382
81 HG3 MET 12 HG1 MET 12 -7.139 7.371 0.484
82 HE1 MET 12 HE1 MET 12 -9.897 7.988 -2.202
83 HE2 MET 12 HE2 MET 12 -8.555 8.680 -1.284
84 HE3 MET 12 3HE MET 12 -10.076 8.297 -0.479
85 H ARG 13 H ARG 13 -4.441 4.383 1.863
86 HA ARG 13 HA ARG 13 -3.384 2.423 2.342
87 HB2 ARG 13 HB2 ARG 13 -2.886 3.708 4.301
88 HB3 ARG 13 HB1 ARG 13 -4.412 3.255 5.018
89 HG2 ARG 13 HG2 ARG 13 -3.601 0.993 5.338
90 HG3 ARG 13 HG1 ARG 13 -2.126 1.363 4.440
91 HD2 ARG 13 HD2 ARG 13 -2.972 2.688 7.019
92 HD3 ARG 13 HD1 ARG 13 -1.766 1.412 6.885
93 HE ARG 13 HE ARG 13 -1.254 3.765 5.266
94 HH11 ARG 13 HH11 ARG 13 -0.606 2.158 8.373
95 HH12 ARG 13 HH12 ARG 13 0.768 3.093 8.709
96 HH21 ARG 13 HH21 ARG 13 0.698 5.028 5.749
97 HH22 ARG 13 HH22 ARG 13 1.486 4.748 7.224
98 H ASP 14 H ASP 14 -4.834 1.237 1.031
99 HA ASP 14 HA ASP 14 -7.012 -0.167 2.420
100 HB2 ASP 14 HB2 ASP 14 -8.085 -0.262 0.307
101 HB3 ASP 14 HB1 ASP 14 -7.572 1.403 0.586
102 H CYS 15 H CYS 15 -4.007 -0.849 1.717
103 HA CYS 15 HA CYS 15 -4.143 -3.210 0.083
104 HB2 CYS 15 HB2 CYS 15 -2.034 -2.405 2.070
105 HB3 CYS 15 HB1 CYS 15 -1.839 -3.610 0.830
106 H CYS 16 H CYS 16 -3.613 -5.405 0.858
107 HA CYS 16 HA CYS 16 -5.186 -6.316 2.972
108 HB2 CYS 16 HB2 CYS 16 -2.745 -7.590 1.736
109 HB3 CYS 16 HB1 CYS 16 -3.930 -8.429 2.724
110 H THR 17 H THR 17 -1.801 -5.352 2.867
111 HA THR 17 HA THR 17 -1.469 -5.981 5.676
112 HB THR 17 HB THR 17 0.926 -5.300 5.099
113 HG1 THR 17 HG1 THR 17 1.383 -5.272 2.835
114 HG21 THR 17 HG21 THR 17 -0.353 -7.591 3.590
115 HG22 THR 17 HG22 THR 17 0.245 -7.661 5.252
116 HG23 THR 17 HG23 THR 17 1.369 -7.422 3.908
117 H THR 18 H THR 18 -0.092 -3.434 3.751
118 HA THR 18 HA THR 18 -1.679 -1.350 4.751
119 HB THR 18 HB THR 18 -0.272 -1.752 6.755
120 HG1 THR 18 HG1 THR 18 0.192 0.315 7.065
121 HG21 THR 18 HG21 THR 18 1.692 -2.671 5.663
122 HG22 THR 18 HG22 THR 18 2.123 -1.309 6.699
123 HG23 THR 18 HG23 THR 18 2.044 -1.095 4.950
124 H CYS 19 H CYS 19 -0.370 0.739 4.105
125 HA CYS 19 HA CYS 19 0.505 0.326 1.306
126 HB2 CYS 19 HB2 CYS 19 -1.727 1.258 1.402
127 HB3 CYS 19 HB1 CYS 19 -1.227 2.457 2.591
128 H ILE 20 H ILE 20 2.473 1.061 0.987
129 HA ILE 20 HA ILE 20 3.897 2.508 2.990
130 HB ILE 20 HB ILE 20 4.702 1.925 0.118
131 HG12 ILE 20 HG12 ILE 20 5.020 0.178 2.598
132 HG13 ILE 20 HG11 ILE 20 4.077 -0.150 1.177
133 HG21 ILE 20 HG21 ILE 20 6.353 2.478 2.582
134 HG22 ILE 20 HG22 ILE 20 6.084 3.598 1.241
135 HG23 ILE 20 HG23 ILE 20 6.990 2.109 0.979
136 HD11 ILE 20 HD11 ILE 20 6.053 -0.344 -0.201
137 HD12 ILE 20 HD12 ILE 20 6.145 -1.435 1.181
138 HD13 ILE 20 HD13 ILE 20 7.076 0.061 1.176
139 H SER 21 H SER 21 2.979 4.446 3.254
140 HA SER 21 HA SER 21 1.564 6.004 1.576
141 HB2 SER 21 HB2 SER 21 3.270 6.944 3.862
142 HB3 SER 21 HB1 SER 21 1.805 7.713 3.244
143 HG SER 21 HG SER 21 0.711 5.739 3.747
144 H TYR 22 H TYR 22 5.061 5.877 1.640
145 HA TYR 22 HA TYR 22 5.432 8.428 0.392
146 HB2 TYR 22 HB2 TYR 22 7.130 7.041 1.762
147 HB3 TYR 22 HB1 TYR 22 7.410 6.183 0.265
148 HD1 TYR 22 HD1 TYR 22 7.752 9.436 1.920
149 HD2 TYR 22 HD2 TYR 22 8.617 7.200 -1.594
150 HE1 TYR 22 HE1 TYR 22 9.294 11.185 1.202
151 HE2 TYR 22 HE2 TYR 22 10.170 8.948 -2.320
152 HH TYR 22 HH TYR 22 10.477 11.403 -1.923
153 H THR 23 H THR 23 5.730 5.122 -0.797
154 HA THR 23 HA THR 23 5.909 6.148 -3.531
155 HB THR 23 HB THR 23 7.657 4.566 -2.809
156 HG1 THR 23 HG1 THR 23 6.723 4.605 -5.068
157 HG21 THR 23 HG21 THR 23 5.416 2.550 -2.617
158 HG22 THR 23 HG22 THR 23 6.362 3.182 -1.271
159 HG23 THR 23 HG23 THR 23 7.135 2.173 -2.495
160 H LYS 24 H LYS 24 3.509 4.954 -1.517
161 HA LYS 24 HA LYS 24 1.484 4.196 -1.705
162 HB2 LYS 24 HB2 LYS 24 1.492 5.256 -4.530
163 HB3 LYS 24 HB1 LYS 24 0.124 4.667 -3.649
164 HG2 LYS 24 HG2 LYS 24 -0.000 7.063 -3.581
165 HG3 LYS 24 HG1 LYS 24 0.359 6.447 -1.975
166 HD2 LYS 24 HD2 LYS 24 1.649 8.448 -2.428
167 HD3 LYS 24 HD1 LYS 24 2.714 7.054 -2.277
168 HE2 LYS 24 HE2 LYS 24 2.912 6.905 -4.687
169 HE3 LYS 24 HE1 LYS 24 1.770 8.232 -4.894
170 HZ1 LYS 24 HZ1 LYS 24 3.315 9.696 -3.798
171 HZ2 LYS 24 HZ2 LYS 24 4.091 8.955 -5.094
172 HZ3 LYS 24 HZ3 LYS 24 4.389 8.436 -3.513
173 H ARG 25 H ARG 25 3.029 2.244 -1.735
174 HA ARG 25 HA ARG 25 1.739 0.397 -3.576
175 HB2 ARG 25 HB2 ARG 25 4.640 0.273 -2.785
176 HB3 ARG 25 HB1 ARG 25 3.801 -0.978 -3.664
177 HG2 ARG 25 HG2 ARG 25 4.409 1.801 -4.643
178 HG3 ARG 25 HG1 ARG 25 5.127 0.299 -5.223
179 HD2 ARG 25 HD2 ARG 25 2.724 -0.405 -5.821
180 HD3 ARG 25 HD1 ARG 25 2.317 1.249 -5.462
181 HE ARG 25 HE ARG 25 4.155 0.483 -7.588
182 HH11 ARG 25 HH11 ARG 25 1.842 2.775 -6.189
183 HH12 ARG 25 HH12 ARG 25 1.473 3.509 -7.689
184 HH21 ARG 25 HH21 ARG 25 3.638 1.560 -9.661
185 HH22 ARG 25 HH22 ARG 25 2.497 2.822 -9.659
186 H CYS 26 H CYS 26 1.823 -1.818 -2.695
187 HA CYS 26 HA CYS 26 1.063 -1.589 0.074
188 HB2 CYS 26 HB2 CYS 26 0.782 -3.873 -1.875
189 HB3 CYS 26 HB1 CYS 26 0.145 -3.863 -0.233
190 H ARG 27 H ARG 27 1.975 -2.541 1.703
191 HA ARG 27 HA ARG 27 4.748 -3.217 1.604
192 HB2 ARG 27 HB2 ARG 27 3.339 -2.184 3.560
193 HB3 ARG 27 HB1 ARG 27 2.793 -3.791 3.769
194 HG2 ARG 27 HG2 ARG 27 5.014 -4.676 4.126
195 HG3 ARG 27 HG1 ARG 27 5.689 -3.057 3.977
196 HD2 ARG 27 HD2 ARG 27 4.763 -2.363 5.970
197 HD3 ARG 27 HD1 ARG 27 3.561 -3.659 5.988
198 HE ARG 27 HE ARG 27 6.076 -4.806 5.999
199 HH11 ARG 27 HH11 ARG 27 4.220 -2.785 8.229
200 HH12 ARG 27 HH12 ARG 27 4.714 -3.618 9.625
201 HH21 ARG 27 HH21 ARG 27 6.701 -6.001 7.908
202 HH22 ARG 27 HH22 ARG 27 6.169 -5.488 9.443
203 H LYS 28 H LYS 28 5.600 -5.295 2.262
204 HA LYS 28 HA LYS 28 4.126 -7.686 1.516
205 HB2 LYS 28 HB2 LYS 28 6.681 -7.391 3.094
206 HB3 LYS 28 HB1 LYS 28 6.081 -8.837 2.318
207 HG2 LYS 28 HG2 LYS 28 6.389 -7.928 0.140
208 HG3 LYS 28 HG1 LYS 28 6.807 -6.352 0.801
209 HD2 LYS 28 HD2 LYS 28 8.789 -7.377 1.870
210 HD3 LYS 28 HD1 LYS 28 8.372 -8.908 1.089
211 HE2 LYS 28 HE2 LYS 28 10.078 -7.688 -0.167
212 HE3 LYS 28 HE1 LYS 28 8.596 -7.876 -1.095
213 HZ1 LYS 28 HZ1 LYS 28 9.348 -5.412 0.394
214 HZ2 LYS 28 HZ2 LYS 28 7.998 -5.593 -0.607
215 HZ3 LYS 28 HZ3 LYS 28 9.536 -5.638 -1.258
216 H TYR 29 H TYR 29 4.390 -9.420 3.268
217 HA TYR 29 HA TYR 29 2.348 -8.713 5.112
218 HB2 TYR 29 HB2 TYR 29 3.934 -11.248 4.785
219 HB3 TYR 29 HB1 TYR 29 2.636 -11.054 5.939
220 HD1 TYR 29 HD1 TYR 29 3.497 -11.428 2.398
221 HD2 TYR 29 HD2 TYR 29 0.296 -10.842 5.139
222 HE1 TYR 29 HE1 TYR 29 1.899 -11.981 0.635
223 HE2 TYR 29 HE2 TYR 29 -1.317 -11.399 3.385
224 HH TYR 29 HH TYR 29 -1.471 -11.454 0.963
225 H TYR 30 H TYR 30 5.592 -9.982 5.702
226 HA TYR 30 HA TYR 30 5.551 -8.454 8.153
227 HB2 TYR 30 HB2 TYR 30 6.996 -11.067 7.677
228 HB3 TYR 30 HB1 TYR 30 6.895 -10.188 9.200
229 HD1 TYR 30 HD1 TYR 30 4.384 -9.730 9.997
230 HD2 TYR 30 HD2 TYR 30 5.569 -12.844 7.363
231 HE1 TYR 30 HE1 TYR 30 2.328 -10.959 10.534
232 HE2 TYR 30 HE2 TYR 30 3.527 -14.087 7.895
233 HH TYR 30 HH TYR 30 1.884 -14.179 9.806
Start of MODEL 18
1 H1 CYS 1 HT1 CYS 1 -8.871 -7.038 -0.650
2 H2 CYS 1 HT2 CYS 1 -9.472 -5.991 -1.790
3 H3 CYS 1 HT3 CYS 1 -10.003 -5.880 -0.176
4 HA CYS 1 HA CYS 1 -8.416 -4.158 -0.671
5 HB2 CYS 1 HB2 CYS 1 -6.643 -4.837 1.003
6 HB3 CYS 1 HB1 CYS 1 -8.301 -4.858 1.576
7 H LYS 2 H LYS 2 -6.162 -3.684 -1.089
8 HA LYS 2 HA LYS 2 -5.347 -5.149 -3.413
9 HB2 LYS 2 HB2 LYS 2 -4.070 -2.758 -2.067
10 HB3 LYS 2 HB1 LYS 2 -3.494 -3.503 -3.534
11 HG2 LYS 2 HG2 LYS 2 -5.464 -2.936 -4.732
12 HG3 LYS 2 HG1 LYS 2 -6.261 -2.384 -3.257
13 HD2 LYS 2 HD2 LYS 2 -4.732 -0.562 -3.036
14 HD3 LYS 2 HD1 LYS 2 -3.737 -1.174 -4.353
15 HE2 LYS 2 HE2 LYS 2 -5.174 0.733 -5.012
16 HE3 LYS 2 HE1 LYS 2 -5.478 -0.728 -5.950
17 HZ1 LYS 2 HZ1 LYS 2 -7.453 -1.123 -4.728
18 HZ2 LYS 2 HZ2 LYS 2 -7.498 0.504 -5.169
19 HZ3 LYS 2 HZ3 LYS 2 -7.089 0.056 -3.592
20 HA PRO 3 HA PRO 3 -2.661 -7.944 -1.330
21 HB2 PRO 3 HB2 PRO 3 -1.283 -8.817 -3.529
22 HB3 PRO 3 HB1 PRO 3 -2.923 -9.346 -3.145
23 HG2 PRO 3 HG2 PRO 3 -2.013 -7.240 -5.061
24 HG3 PRO 3 HG1 PRO 3 -3.262 -8.482 -5.272
25 HD2 PRO 3 HD2 PRO 3 -3.851 -5.925 -4.682
26 HD3 PRO 3 HD1 PRO 3 -4.825 -7.285 -4.077
27 HA HYP 4 HA HYP 4 1.172 -5.855 -0.436
28 HB2 HYP 4 HB1 HYP 4 2.487 -7.387 0.644
29 HB3 HYP 4 HB2 HYP 4 2.592 -8.436 -0.780
30 HG HYP 4 HG HYP 4 1.176 -9.659 0.677
31 HD22 HYP 4 HD11 HYP 4 -1.196 -8.839 -0.241
32 HD23 HYP 4 HD12 HYP 4 -0.016 -9.471 -1.404
33 HD1 HYP 4 HD2 HYP 4 -0.506 -8.637 1.716
34 H GLY 5 H GLY 5 2.551 -4.718 -1.613
35 HA2 GLY 5 HA2 GLY 5 4.139 -4.306 -3.252
36 HA3 GLY 5 HA1 GLY 5 3.748 -5.861 -3.953
37 H SER 6 H SER 6 0.826 -4.648 -3.620
38 HA SER 6 HA SER 6 0.726 -3.705 -6.309
39 HB2 SER 6 HB2 SER 6 -1.200 -4.782 -5.642
40 HB3 SER 6 HB1 SER 6 -1.432 -3.781 -4.163
41 HG SER 6 HG SER 6 -2.180 -2.194 -5.538
42 H LYS 7 H LYS 7 -0.402 -1.843 -6.641
43 HA LYS 7 HA LYS 7 0.932 0.391 -5.249
44 HB2 LYS 7 HB2 LYS 7 0.246 1.876 -7.134
45 HB3 LYS 7 HB1 LYS 7 1.229 0.526 -7.658
46 HG2 LYS 7 HG2 LYS 7 -0.772 -0.609 -8.484
47 HG3 LYS 7 HG1 LYS 7 -1.764 0.755 -7.958
48 HD2 LYS 7 HD2 LYS 7 -1.307 0.936 -10.345
49 HD3 LYS 7 HD1 LYS 7 -0.491 2.234 -9.481
50 HE2 LYS 7 HE2 LYS 7 1.626 0.972 -9.585
51 HE3 LYS 7 HE1 LYS 7 0.800 -0.332 -10.442
52 HZ1 LYS 7 HZ1 LYS 7 1.126 2.456 -11.408
53 HZ2 LYS 7 HZ2 LYS 7 0.379 1.227 -12.270
54 HZ3 LYS 7 HZ3 LYS 7 2.028 1.152 -11.942
55 H CYS 8 H CYS 8 -0.282 1.993 -4.210
56 HA CYS 8 HA CYS 8 -3.109 1.256 -3.929
57 HB2 CYS 8 HB2 CYS 8 -2.780 1.596 -1.453
58 HB3 CYS 8 HB1 CYS 8 -2.241 0.087 -2.174
59 H SER 9 H SER 9 -4.362 2.698 -2.599
60 HA SER 9 HA SER 9 -4.048 5.351 -3.411
61 HB2 SER 9 HB2 SER 9 -5.916 4.479 -1.333
62 HB3 SER 9 HB1 SER 9 -6.132 5.499 -2.776
63 HG SER 9 HG SER 9 -6.325 2.749 -2.492
64 HA HYP 10 HA HYP 10 -1.578 6.039 0.247
65 HB2 HYP 10 HB1 HYP 10 -0.309 7.762 -0.521
66 HB3 HYP 10 HB2 HYP 10 -1.657 8.900 -0.362
67 HG HYP 10 HG HYP 10 -1.365 8.666 -2.778
68 HD22 HYP 10 HD11 HYP 10 -3.305 7.066 -3.238
69 HD23 HYP 10 HD12 HYP 10 -3.648 8.276 -1.965
70 HD1 HYP 10 HD2 HYP 10 -1.616 5.975 -2.675
71 H SER 11 H SER 11 -4.620 7.714 -0.116
72 HA SER 11 HA SER 11 -4.492 8.486 2.687
73 HB2 SER 11 HB2 SER 11 -6.530 9.274 0.579
74 HB3 SER 11 HB1 SER 11 -6.431 9.905 2.220
75 HG SER 11 HG SER 11 -5.424 11.300 0.764
76 H MET 12 H MET 12 -6.066 6.272 0.500
77 HA MET 12 HA MET 12 -7.896 5.465 2.577
78 HB2 MET 12 HB2 MET 12 -7.500 4.239 -0.157
79 HB3 MET 12 HB1 MET 12 -8.589 3.569 1.043
80 HG2 MET 12 HG2 MET 12 -9.788 5.784 1.043
81 HG3 MET 12 HG1 MET 12 -8.789 6.227 -0.337
82 HE1 MET 12 HE1 MET 12 -9.929 3.599 -3.042
83 HE2 MET 12 HE2 MET 12 -8.576 3.441 -1.926
84 HE3 MET 12 3HE MET 12 -8.896 4.990 -2.707
85 H ARG 13 H ARG 13 -5.006 4.306 1.229
86 HA ARG 13 HA ARG 13 -3.483 2.751 1.888
87 HB2 ARG 13 HB2 ARG 13 -3.474 4.330 3.745
88 HB3 ARG 13 HB1 ARG 13 -4.827 3.500 4.466
89 HG2 ARG 13 HG2 ARG 13 -3.389 1.659 5.091
90 HG3 ARG 13 HG1 ARG 13 -2.052 2.338 4.155
91 HD2 ARG 13 HD2 ARG 13 -3.362 3.675 6.521
92 HD3 ARG 13 HD1 ARG 13 -1.827 2.807 6.568
93 HE ARG 13 HE ARG 13 -0.960 4.465 4.991
94 HH11 ARG 13 HH11 ARG 13 -3.801 5.401 6.918
95 HH12 ARG 13 HH12 ARG 13 -3.493 7.058 6.812
96 HH21 ARG 13 HH21 ARG 13 -0.542 6.773 4.843
97 HH22 ARG 13 HH22 ARG 13 -1.572 7.869 5.611
98 H ASP 14 H ASP 14 -5.670 1.752 0.741
99 HA ASP 14 HA ASP 14 -7.203 -0.124 2.258
100 HB2 ASP 14 HB2 ASP 14 -8.361 -0.440 0.159
101 HB3 ASP 14 HB1 ASP 14 -8.243 1.267 0.584
102 H CYS 15 H CYS 15 -4.380 -0.776 1.917
103 HA CYS 15 HA CYS 15 -4.393 -3.120 0.189
104 HB2 CYS 15 HB2 CYS 15 -2.270 -2.332 2.189
105 HB3 CYS 15 HB1 CYS 15 -2.134 -3.531 0.942
106 H CYS 16 H CYS 16 -3.963 -5.237 1.010
107 HA CYS 16 HA CYS 16 -5.572 -5.961 3.174
108 HB2 CYS 16 HB2 CYS 16 -3.375 -7.465 1.790
109 HB3 CYS 16 HB1 CYS 16 -4.557 -8.193 2.878
110 H THR 17 H THR 17 -2.109 -5.316 2.958
111 HA THR 17 HA THR 17 -1.810 -5.859 5.791
112 HB THR 17 HB THR 17 0.583 -5.054 5.273
113 HG1 THR 17 HG1 THR 17 1.100 -5.249 2.972
114 HG21 THR 17 HG21 THR 17 0.035 -7.443 5.534
115 HG22 THR 17 HG22 THR 17 1.236 -7.213 4.265
116 HG23 THR 17 HG23 THR 17 -0.446 -7.515 3.838
117 H THR 18 H THR 18 -0.464 -3.296 3.869
118 HA THR 18 HA THR 18 -2.119 -1.231 4.745
119 HB THR 18 HB THR 18 -0.878 -1.622 6.869
120 HG1 THR 18 HG1 THR 18 -1.360 0.431 6.834
121 HG21 THR 18 HG21 THR 18 1.219 -2.475 5.946
122 HG22 THR 18 HG22 THR 18 1.517 -1.123 7.030
123 HG23 THR 18 HG23 THR 18 1.584 -0.883 5.280
124 H CYS 19 H CYS 19 -1.147 0.818 3.933
125 HA CYS 19 HA CYS 19 0.311 0.275 1.429
126 HB2 CYS 19 HB2 CYS 19 -1.954 1.194 1.138
127 HB3 CYS 19 HB1 CYS 19 -1.542 2.536 2.202
128 H ILE 20 H ILE 20 2.264 1.121 1.273
129 HA ILE 20 HA ILE 20 3.238 2.768 3.452
130 HB ILE 20 HB ILE 20 4.713 1.636 1.041
131 HG12 ILE 20 HG12 ILE 20 3.916 -0.170 2.553
132 HG13 ILE 20 HG11 ILE 20 5.667 -0.019 2.624
133 HG21 ILE 20 HG21 ILE 20 5.820 3.629 1.923
134 HG22 ILE 20 HG22 ILE 20 6.780 2.190 2.269
135 HG23 ILE 20 HG23 ILE 20 5.812 2.935 3.543
136 HD11 ILE 20 HD11 ILE 20 5.421 1.232 4.717
137 HD12 ILE 20 HD12 ILE 20 4.743 -0.395 4.801
138 HD13 ILE 20 HD13 ILE 20 3.674 0.996 4.633
139 H SER 21 H SER 21 2.569 4.766 3.270
140 HA SER 21 HA SER 21 1.595 6.063 1.083
141 HB2 SER 21 HB2 SER 21 2.848 7.395 3.470
142 HB3 SER 21 HB1 SER 21 1.491 7.961 2.496
143 HG SER 21 HG SER 21 1.467 6.512 4.643
144 H TYR 22 H TYR 22 4.930 5.753 2.007
145 HA TYR 22 HA TYR 22 5.949 8.030 0.617
146 HB2 TYR 22 HB2 TYR 22 7.082 6.644 2.473
147 HB3 TYR 22 HB1 TYR 22 7.467 5.497 1.216
148 HD1 TYR 22 HD1 TYR 22 9.109 6.051 -0.546
149 HD2 TYR 22 HD2 TYR 22 8.256 8.774 2.608
150 HE1 TYR 22 HE1 TYR 22 11.139 7.317 -1.092
151 HE2 TYR 22 HE2 TYR 22 10.273 10.047 2.068
152 HH TYR 22 HH TYR 22 12.004 9.531 -0.816
153 H THR 23 H THR 23 5.959 4.581 -0.103
154 HA THR 23 HA THR 23 6.854 5.179 -2.821
155 HB THR 23 HB THR 23 8.134 3.452 -1.648
156 HG1 THR 23 HG1 THR 23 6.633 2.709 -3.915
157 HG21 THR 23 HG21 THR 23 6.387 2.533 -0.214
158 HG22 THR 23 HG22 THR 23 7.135 1.241 -1.161
159 HG23 THR 23 HG23 THR 23 5.555 1.871 -1.620
160 H LYS 24 H LYS 24 3.953 4.681 -1.297
161 HA LYS 24 HA LYS 24 1.821 4.461 -1.943
162 HB2 LYS 24 HB2 LYS 24 2.570 4.500 -4.851
163 HB3 LYS 24 HB1 LYS 24 1.134 5.084 -4.072
164 HG2 LYS 24 HG2 LYS 24 3.822 6.437 -3.872
165 HG3 LYS 24 HG1 LYS 24 2.498 6.952 -4.910
166 HD2 LYS 24 HD2 LYS 24 1.116 7.365 -2.938
167 HD3 LYS 24 HD1 LYS 24 2.427 6.803 -1.898
168 HE2 LYS 24 HE2 LYS 24 3.854 8.612 -2.748
169 HE3 LYS 24 HE1 LYS 24 2.511 9.192 -3.734
170 HZ1 LYS 24 HZ1 LYS 24 2.479 8.974 -0.780
171 HZ2 LYS 24 HZ2 LYS 24 1.275 9.692 -1.727
172 HZ3 LYS 24 HZ3 LYS 24 2.806 10.381 -1.615
173 H ARG 25 H ARG 25 3.373 2.143 -1.513
174 HA ARG 25 HA ARG 25 2.017 0.239 -3.297
175 HB2 ARG 25 HB2 ARG 25 4.818 -0.154 -2.240
176 HB3 ARG 25 HB1 ARG 25 3.914 -1.284 -3.220
177 HG2 ARG 25 HG2 ARG 25 4.989 1.389 -4.070
178 HG3 ARG 25 HG1 ARG 25 5.512 -0.207 -4.620
179 HD2 ARG 25 HD2 ARG 25 3.232 -0.549 -5.577
180 HD3 ARG 25 HD1 ARG 25 2.841 1.076 -5.045
181 HE ARG 25 HE ARG 25 4.918 0.482 -7.003
182 HH11 ARG 25 HH11 ARG 25 2.330 2.612 -5.782
183 HH12 ARG 25 HH12 ARG 25 2.379 3.636 -7.140
184 HH21 ARG 25 HH21 ARG 25 4.975 1.920 -8.812
185 HH22 ARG 25 HH22 ARG 25 3.915 3.247 -8.885
186 H CYS 26 H CYS 26 1.845 -1.954 -2.327
187 HA CYS 26 HA CYS 26 0.935 -1.552 0.376
188 HB2 CYS 26 HB2 CYS 26 0.680 -3.925 -1.476
189 HB3 CYS 26 HB1 CYS 26 -0.061 -3.799 0.118
190 H ARG 27 H ARG 27 1.765 -2.459 2.084
191 HA ARG 27 HA ARG 27 4.505 -3.029 2.158
192 HB2 ARG 27 HB2 ARG 27 2.945 -2.175 4.001
193 HB3 ARG 27 HB1 ARG 27 2.489 -3.833 4.202
194 HG2 ARG 27 HG2 ARG 27 4.719 -4.523 4.671
195 HG3 ARG 27 HG1 ARG 27 5.313 -2.876 4.447
196 HD2 ARG 27 HD2 ARG 27 4.018 -2.140 6.315
197 HD3 ARG 27 HD1 ARG 27 3.330 -3.758 6.534
198 HE ARG 27 HE ARG 27 6.127 -2.983 6.940
199 HH11 ARG 27 HH11 ARG 27 3.465 -5.273 7.521
200 HH12 ARG 27 HH12 ARG 27 4.351 -6.297 8.533
201 HH21 ARG 27 HH21 ARG 27 7.363 -4.395 8.390
202 HH22 ARG 27 HH22 ARG 27 6.621 -5.782 9.048
203 H LYS 28 H LYS 28 5.603 -4.951 2.448
204 HA LYS 28 HA LYS 28 4.381 -7.391 1.456
205 HB2 LYS 28 HB2 LYS 28 7.100 -7.004 2.690
206 HB3 LYS 28 HB1 LYS 28 6.576 -8.329 1.720
207 HG2 LYS 28 HG2 LYS 28 6.433 -6.909 -0.248
208 HG3 LYS 28 HG1 LYS 28 6.975 -5.527 0.719
209 HD2 LYS 28 HD2 LYS 28 9.052 -6.705 1.237
210 HD3 LYS 28 HD1 LYS 28 8.521 -8.082 0.277
211 HE2 LYS 28 HE2 LYS 28 10.099 -6.692 -0.970
212 HE3 LYS 28 HE1 LYS 28 8.513 -6.693 -1.732
213 HZ1 LYS 28 HZ1 LYS 28 9.553 -4.475 -1.618
214 HZ2 LYS 28 HZ2 LYS 28 9.512 -4.543 0.059
215 HZ3 LYS 28 HZ3 LYS 28 8.075 -4.534 -0.821
216 H TYR 29 H TYR 29 5.070 -9.332 2.748
217 HA TYR 29 HA TYR 29 3.905 -9.297 5.373
218 HB2 TYR 29 HB2 TYR 29 5.430 -11.357 3.794
219 HB3 TYR 29 HB1 TYR 29 4.939 -11.662 5.439
220 HD1 TYR 29 HD1 TYR 29 3.656 -10.937 2.007
221 HD2 TYR 29 HD2 TYR 29 2.711 -12.427 5.880
222 HE1 TYR 29 HE1 TYR 29 1.534 -11.792 1.153
223 HE2 TYR 29 HE2 TYR 29 0.580 -13.281 5.030
224 HH TYR 29 HH TYR 29 -0.087 -13.554 1.731
225 H TYR 30 H TYR 30 7.101 -9.832 4.050
226 HA TYR 30 HA TYR 30 8.274 -8.686 6.415
227 HB2 TYR 30 HB2 TYR 30 9.269 -11.055 4.810
228 HB3 TYR 30 HB1 TYR 30 10.233 -10.222 6.026
229 HD1 TYR 30 HD1 TYR 30 9.570 -10.347 8.401
230 HD2 TYR 30 HD2 TYR 30 7.582 -12.633 5.424
231 HE1 TYR 30 HE1 TYR 30 8.624 -11.768 10.147
232 HE2 TYR 30 HE2 TYR 30 6.619 -14.073 7.162
233 HH TYR 30 HH TYR 30 6.716 -13.242 10.471
Start of MODEL 19
1 H1 CYS 1 HT1 CYS 1 -9.671 -6.749 -0.644
2 H2 CYS 1 HT2 CYS 1 -8.469 -7.483 -1.573
3 H3 CYS 1 HT3 CYS 1 -9.407 -6.281 -2.252
4 HA CYS 1 HA CYS 1 -8.428 -4.656 -0.742
5 HB2 CYS 1 HB2 CYS 1 -6.537 -5.292 0.605
6 HB3 CYS 1 HB1 CYS 1 -7.869 -6.332 1.064
7 H LYS 2 H LYS 2 -6.014 -4.064 -1.072
8 HA LYS 2 HA LYS 2 -5.223 -4.941 -3.720
9 HB2 LYS 2 HB2 LYS 2 -4.071 -2.776 -1.947
10 HB3 LYS 2 HB1 LYS 2 -3.386 -3.253 -3.478
11 HG2 LYS 2 HG2 LYS 2 -5.289 -2.565 -4.686
12 HG3 LYS 2 HG1 LYS 2 -6.206 -2.291 -3.199
13 HD2 LYS 2 HD2 LYS 2 -4.791 -0.476 -2.584
14 HD3 LYS 2 HD1 LYS 2 -3.683 -0.834 -3.911
15 HE2 LYS 2 HE2 LYS 2 -5.204 1.105 -4.319
16 HE3 LYS 2 HE1 LYS 2 -5.301 -0.164 -5.540
17 HZ1 LYS 2 HZ1 LYS 2 -7.318 -0.916 -4.636
18 HZ2 LYS 2 HZ2 LYS 2 -7.477 0.780 -4.686
19 HZ3 LYS 2 HZ3 LYS 2 -7.136 -0.014 -3.244
20 HA PRO 3 HA PRO 3 -2.542 -8.031 -2.001
21 HB2 PRO 3 HB2 PRO 3 -1.127 -7.765 -4.592
22 HB3 PRO 3 HB1 PRO 3 -1.850 -9.200 -3.867
23 HG2 PRO 3 HG2 PRO 3 -2.998 -7.999 -5.949
24 HG3 PRO 3 HG1 PRO 3 -3.975 -8.668 -4.635
25 HD2 PRO 3 HD2 PRO 3 -3.246 -5.826 -5.183
26 HD3 PRO 3 HD1 PRO 3 -4.779 -6.548 -4.632
27 HA HYP 4 HA HYP 4 1.045 -5.756 -0.674
28 HB2 HYP 4 HB1 HYP 4 2.129 -7.276 0.663
29 HB3 HYP 4 HB2 HYP 4 2.658 -8.207 -0.742
30 HG HYP 4 HG HYP 4 1.084 -9.676 0.273
31 HD22 HYP 4 HD11 HYP 4 -1.084 -9.072 -1.090
32 HD23 HYP 4 HD12 HYP 4 0.415 -9.322 -2.023
33 HD1 HYP 4 HD2 HYP 4 -0.557 -9.079 1.341
34 H GLY 5 H GLY 5 2.500 -4.585 -1.740
35 HA2 GLY 5 HA2 GLY 5 4.208 -4.193 -3.278
36 HA3 GLY 5 HA1 GLY 5 3.781 -5.680 -4.108
37 H SER 6 H SER 6 0.876 -4.683 -3.805
38 HA SER 6 HA SER 6 0.621 -3.611 -6.392
39 HB2 SER 6 HB2 SER 6 -1.250 -4.729 -5.620
40 HB3 SER 6 HB1 SER 6 -1.353 -3.782 -4.101
41 HG SER 6 HG SER 6 -2.173 -2.122 -5.363
42 H LYS 7 H LYS 7 -0.548 -1.810 -6.674
43 HA LYS 7 HA LYS 7 0.845 0.544 -5.543
44 HB2 LYS 7 HB2 LYS 7 0.550 0.357 -8.035
45 HB3 LYS 7 HB1 LYS 7 -1.188 0.432 -7.804
46 HG2 LYS 7 HG2 LYS 7 -0.992 2.685 -6.922
47 HG3 LYS 7 HG1 LYS 7 0.763 2.608 -7.090
48 HD2 LYS 7 HD2 LYS 7 0.510 2.314 -9.512
49 HD3 LYS 7 HD1 LYS 7 -1.243 2.407 -9.336
50 HE2 LYS 7 HE2 LYS 7 -0.305 4.536 -10.063
51 HE3 LYS 7 HE1 LYS 7 -1.058 4.669 -8.475
52 HZ1 LYS 7 HZ1 LYS 7 1.203 4.464 -7.500
53 HZ2 LYS 7 HZ2 LYS 7 1.013 5.821 -8.415
54 HZ3 LYS 7 HZ3 LYS 7 1.868 4.504 -9.045
55 H CYS 8 H CYS 8 -0.248 1.994 -4.180
56 HA CYS 8 HA CYS 8 -2.979 1.122 -3.582
57 HB2 CYS 8 HB2 CYS 8 -2.550 1.588 -1.223
58 HB3 CYS 8 HB1 CYS 8 -1.659 0.215 -1.859
59 H SER 9 H SER 9 -4.025 2.634 -1.915
60 HA SER 9 HA SER 9 -4.236 5.128 -3.166
61 HB2 SER 9 HB2 SER 9 -6.044 5.223 -1.445
62 HB3 SER 9 HB1 SER 9 -6.219 4.011 -2.727
63 HG SER 9 HG SER 9 -6.306 2.556 -1.145
64 HA HYP 10 HA HYP 10 -0.881 7.079 -0.955
65 HB2 HYP 10 HB1 HYP 10 -1.300 9.230 -1.474
66 HB3 HYP 10 HB2 HYP 10 -2.682 9.306 -0.369
67 HG HYP 10 HG HYP 10 -3.694 9.396 -2.611
68 HD22 HYP 10 HD11 HYP 10 -4.471 6.962 -2.764
69 HD23 HYP 10 HD12 HYP 10 -4.613 7.625 -1.111
70 HD1 HYP 10 HD2 HYP 10 -2.528 7.104 -3.321
71 H SER 11 H SER 11 -3.905 7.847 0.882
72 HA SER 11 HA SER 11 -2.553 6.711 3.193
73 HB2 SER 11 HB2 SER 11 -3.520 8.713 4.525
74 HB3 SER 11 HB1 SER 11 -2.073 8.973 3.553
75 HG SER 11 HG SER 11 -4.500 9.427 2.266
76 H MET 12 H MET 12 -4.674 5.692 1.493
77 HA MET 12 HA MET 12 -6.959 5.786 3.335
78 HB2 MET 12 HB2 MET 12 -6.785 4.645 0.553
79 HB3 MET 12 HB1 MET 12 -8.207 4.557 1.581
80 HG2 MET 12 HG2 MET 12 -8.370 6.979 1.589
81 HG3 MET 12 HG1 MET 12 -6.917 7.086 0.598
82 HE1 MET 12 HE1 MET 12 -10.876 5.205 -0.867
83 HE2 MET 12 HE2 MET 12 -10.640 5.837 0.764
84 HE3 MET 12 3HE MET 12 -9.789 4.381 0.247
85 H ARG 13 H ARG 13 -4.641 3.723 2.036
86 HA ARG 13 HA ARG 13 -3.912 1.614 2.453
87 HB2 ARG 13 HB2 ARG 13 -3.407 2.602 4.534
88 HB3 ARG 13 HB1 ARG 13 -5.048 2.389 5.092
89 HG2 ARG 13 HG2 ARG 13 -4.649 -0.107 5.060
90 HG3 ARG 13 HG1 ARG 13 -2.971 0.221 4.624
91 HD2 ARG 13 HD2 ARG 13 -3.189 -0.213 7.032
92 HD3 ARG 13 HD1 ARG 13 -2.657 1.440 6.739
93 HE ARG 13 HE ARG 13 -5.355 1.657 6.913
94 HH11 ARG 13 HH11 ARG 13 -2.910 0.313 9.140
95 HH12 ARG 13 HH12 ARG 13 -3.831 0.628 10.518
96 HH21 ARG 13 HH21 ARG 13 -6.590 2.053 8.833
97 HH22 ARG 13 HH22 ARG 13 -5.965 1.618 10.354
98 H ASP 14 H ASP 14 -5.542 0.820 0.905
99 HA ASP 14 HA ASP 14 -7.482 -0.866 2.287
100 HB2 ASP 14 HB2 ASP 14 -8.746 -0.979 0.269
101 HB3 ASP 14 HB1 ASP 14 -8.509 0.719 0.668
102 H CYS 15 H CYS 15 -4.646 -1.206 1.743
103 HA CYS 15 HA CYS 15 -4.453 -3.576 0.056
104 HB2 CYS 15 HB2 CYS 15 -2.425 -2.495 2.033
105 HB3 CYS 15 HB1 CYS 15 -2.123 -3.644 0.742
106 H CYS 16 H CYS 16 -3.890 -5.688 0.983
107 HA CYS 16 HA CYS 16 -5.234 -6.230 3.416
108 HB2 CYS 16 HB2 CYS 16 -3.504 -7.832 1.617
109 HB3 CYS 16 HB1 CYS 16 -3.906 -8.488 3.196
110 H THR 17 H THR 17 -1.981 -5.379 2.709
111 HA THR 17 HA THR 17 -1.183 -5.925 5.442
112 HB THR 17 HB THR 17 1.029 -5.015 4.630
113 HG1 THR 17 HG1 THR 17 1.252 -4.883 2.376
114 HG21 THR 17 HG21 THR 17 -0.155 -7.369 3.156
115 HG22 THR 17 HG22 THR 17 0.575 -7.420 4.760
116 HG23 THR 17 HG23 THR 17 1.567 -7.047 3.348
117 H THR 18 H THR 18 -0.233 -3.226 3.501
118 HA THR 18 HA THR 18 -1.380 -1.135 5.101
119 HB THR 18 HB THR 18 1.601 -1.776 5.261
120 HG1 THR 18 HG1 THR 18 -0.408 -2.571 6.802
121 HG21 THR 18 HG21 THR 18 1.810 0.077 6.810
122 HG22 THR 18 HG22 THR 18 0.103 0.492 6.599
123 HG23 THR 18 HG23 THR 18 1.239 0.641 5.243
124 H CYS 19 H CYS 19 -0.668 0.979 4.029
125 HA CYS 19 HA CYS 19 0.352 0.533 1.306
126 HB2 CYS 19 HB2 CYS 19 -1.890 1.349 1.288
127 HB3 CYS 19 HB1 CYS 19 -1.538 2.598 2.479
128 H ILE 20 H ILE 20 2.342 1.252 1.061
129 HA ILE 20 HA ILE 20 3.646 2.954 2.970
130 HB ILE 20 HB ILE 20 4.572 2.214 0.168
131 HG12 ILE 20 HG12 ILE 20 4.911 0.599 2.736
132 HG13 ILE 20 HG11 ILE 20 3.986 0.168 1.329
133 HG21 ILE 20 HG21 ILE 20 6.111 2.986 2.660
134 HG22 ILE 20 HG22 ILE 20 5.853 3.993 1.238
135 HG23 ILE 20 HG23 ILE 20 6.832 2.529 1.117
136 HD11 ILE 20 HD11 ILE 20 6.966 0.498 1.332
137 HD12 ILE 20 HD12 ILE 20 5.968 -0.023 -0.024
138 HD13 ILE 20 HD13 ILE 20 6.101 -1.034 1.419
139 H SER 21 H SER 21 3.094 5.052 2.967
140 HA SER 21 HA SER 21 1.414 6.137 0.995
141 HB2 SER 21 HB2 SER 21 1.441 6.688 3.467
142 HB3 SER 21 HB1 SER 21 2.862 7.679 3.153
143 HG SER 21 HG SER 21 0.273 7.914 2.131
144 H TYR 22 H TYR 22 4.852 6.367 1.507
145 HA TYR 22 HA TYR 22 5.354 8.656 -0.089
146 HB2 TYR 22 HB2 TYR 22 6.884 7.575 1.628
147 HB3 TYR 22 HB1 TYR 22 7.214 6.354 0.430
148 HD1 TYR 22 HD1 TYR 22 7.764 9.874 1.309
149 HD2 TYR 22 HD2 TYR 22 8.604 6.798 -1.498
150 HE1 TYR 22 HE1 TYR 22 9.560 11.242 0.355
151 HE2 TYR 22 HE2 TYR 22 10.401 8.150 -2.459
152 HH TYR 22 HH TYR 22 11.742 10.719 -0.969
153 H THR 23 H THR 23 5.808 5.233 -0.717
154 HA THR 23 HA THR 23 6.472 5.608 -3.504
155 HB THR 23 HB THR 23 5.955 2.996 -2.067
156 HG1 THR 23 HG1 THR 23 8.362 4.496 -2.216
157 HG21 THR 23 HG21 THR 23 7.830 3.732 -4.331
158 HG22 THR 23 HG22 THR 23 6.285 2.920 -4.528
159 HG23 THR 23 HG23 THR 23 7.590 2.118 -3.658
160 H LYS 24 H LYS 24 3.612 4.905 -1.680
161 HA LYS 24 HA LYS 24 1.590 4.286 -2.024
162 HB2 LYS 24 HB2 LYS 24 1.947 5.048 -4.919
163 HB3 LYS 24 HB1 LYS 24 0.444 4.613 -4.150
164 HG2 LYS 24 HG2 LYS 24 0.377 6.964 -4.279
165 HG3 LYS 24 HG1 LYS 24 0.779 6.600 -2.605
166 HD2 LYS 24 HD2 LYS 24 3.130 7.025 -3.073
167 HD3 LYS 24 HD1 LYS 24 2.736 7.364 -4.759
168 HE2 LYS 24 HE2 LYS 24 1.306 9.228 -4.013
169 HE3 LYS 24 HE1 LYS 24 1.785 8.894 -2.349
170 HZ1 LYS 24 HZ1 LYS 24 4.087 9.302 -2.994
171 HZ2 LYS 24 HZ2 LYS 24 3.135 10.663 -3.256
172 HZ3 LYS 24 HZ3 LYS 24 3.595 9.699 -4.550
173 H ARG 25 H ARG 25 3.088 2.295 -1.719
174 HA ARG 25 HA ARG 25 1.920 0.306 -3.502
175 HB2 ARG 25 HB2 ARG 25 4.743 0.181 -2.477
176 HB3 ARG 25 HB1 ARG 25 3.930 -1.108 -3.313
177 HG2 ARG 25 HG2 ARG 25 4.657 1.562 -4.505
178 HG3 ARG 25 HG1 ARG 25 5.430 0.012 -4.858
179 HD2 ARG 25 HD2 ARG 25 3.086 -0.771 -5.594
180 HD3 ARG 25 HD1 ARG 25 2.669 0.920 -5.432
181 HE ARG 25 HE ARG 25 4.490 1.358 -7.060
182 HH11 ARG 25 HH11 ARG 25 2.699 -1.703 -7.108
183 HH12 ARG 25 HH12 ARG 25 2.746 -1.874 -8.794
184 HH21 ARG 25 HH21 ARG 25 4.558 1.102 -9.426
185 HH22 ARG 25 HH22 ARG 25 3.842 -0.270 -10.122
186 H CYS 26 H CYS 26 1.832 -1.826 -2.475
187 HA CYS 26 HA CYS 26 1.020 -1.379 0.249
188 HB2 CYS 26 HB2 CYS 26 0.637 -3.802 -1.522
189 HB3 CYS 26 HB1 CYS 26 -0.072 -3.578 0.076
190 H ARG 27 H ARG 27 1.880 -2.250 1.882
191 HA ARG 27 HA ARG 27 4.634 -2.845 2.018
192 HB2 ARG 27 HB2 ARG 27 2.984 -1.842 3.687
193 HB3 ARG 27 HB1 ARG 27 2.499 -3.470 4.007
194 HG2 ARG 27 HG2 ARG 27 4.693 -4.078 4.779
195 HG3 ARG 27 HG1 ARG 27 5.288 -2.441 4.450
196 HD2 ARG 27 HD2 ARG 27 3.667 -1.571 6.058
197 HD3 ARG 27 HD1 ARG 27 3.107 -3.209 6.375
198 HE ARG 27 HE ARG 27 5.754 -3.337 6.838
199 HH11 ARG 27 HH11 ARG 27 3.125 -1.306 8.120
200 HH12 ARG 27 HH12 ARG 27 3.882 -1.056 9.620
201 HH21 ARG 27 HH21 ARG 27 6.769 -2.980 8.927
202 HH22 ARG 27 HH22 ARG 27 5.972 -1.995 10.067
203 H LYS 28 H LYS 28 5.507 -4.907 2.975
204 HA LYS 28 HA LYS 28 4.035 -7.286 2.086
205 HB2 LYS 28 HB2 LYS 28 6.777 -7.095 3.335
206 HB3 LYS 28 HB1 LYS 28 6.028 -8.504 2.674
207 HG2 LYS 28 HG2 LYS 28 6.816 -6.104 1.030
208 HG3 LYS 28 HG1 LYS 28 7.716 -7.617 1.131
209 HD2 LYS 28 HD2 LYS 28 4.898 -7.298 0.064
210 HD3 LYS 28 HD1 LYS 28 6.348 -7.498 -0.910
211 HE2 LYS 28 HE2 LYS 28 5.235 -9.538 1.041
212 HE3 LYS 28 HE1 LYS 28 5.075 -9.586 -0.706
213 HZ1 LYS 28 HZ1 LYS 28 6.843 -11.040 0.005
214 HZ2 LYS 28 HZ2 LYS 28 7.641 -9.817 0.804
215 HZ3 LYS 28 HZ3 LYS 28 7.499 -9.783 -0.872
216 H TYR 29 H TYR 29 4.427 -9.089 3.728
217 HA TYR 29 HA TYR 29 2.932 -8.278 6.076
218 HB2 TYR 29 HB2 TYR 29 3.965 -10.988 5.201
219 HB3 TYR 29 HB1 TYR 29 2.925 -10.708 6.580
220 HD1 TYR 29 HD1 TYR 29 0.571 -9.839 6.151
221 HD2 TYR 29 HD2 TYR 29 3.113 -11.222 3.030
222 HE1 TYR 29 HE1 TYR 29 -1.373 -10.056 4.668
223 HE2 TYR 29 HE2 TYR 29 1.191 -11.437 1.550
224 HH TYR 29 HH TYR 29 -1.291 -11.752 1.811
225 H TYR 30 H TYR 30 5.789 -10.205 5.438
226 HA TYR 30 HA TYR 30 7.253 -8.933 7.545
227 HB2 TYR 30 HB2 TYR 30 7.164 -11.930 7.026
228 HB3 TYR 30 HB1 TYR 30 8.083 -11.104 8.272
229 HD1 TYR 30 HD1 TYR 30 6.845 -10.043 10.193
230 HD2 TYR 30 HD2 TYR 30 4.910 -12.558 7.377
231 HE1 TYR 30 HE1 TYR 30 4.964 -10.324 11.750
232 HE2 TYR 30 HE2 TYR 30 3.023 -12.846 8.901
233 HH TYR 30 HH TYR 30 2.538 -10.913 11.642
Start of MODEL 20
1 H1 CYS 1 HT1 CYS 1 -8.735 -7.123 -1.179
2 H2 CYS 1 HT2 CYS 1 -9.393 -5.872 -2.077
3 H3 CYS 1 HT3 CYS 1 -9.782 -6.035 -0.431
4 HA CYS 1 HA CYS 1 -8.185 -4.273 -0.792
5 HB2 CYS 1 HB2 CYS 1 -6.359 -5.193 0.666
6 HB3 CYS 1 HB1 CYS 1 -7.969 -5.301 1.335
7 H LYS 2 H LYS 2 -6.005 -3.755 -1.295
8 HA LYS 2 HA LYS 2 -5.191 -4.974 -3.759
9 HB2 LYS 2 HB2 LYS 2 -3.932 -2.755 -2.129
10 HB3 LYS 2 HB1 LYS 2 -3.401 -3.258 -3.720
11 HG2 LYS 2 HG2 LYS 2 -6.122 -2.145 -3.098
12 HG3 LYS 2 HG1 LYS 2 -4.772 -1.218 -3.741
13 HD2 LYS 2 HD2 LYS 2 -4.740 -2.682 -5.730
14 HD3 LYS 2 HD1 LYS 2 -6.131 -3.562 -5.085
15 HE2 LYS 2 HE2 LYS 2 -7.465 -1.552 -5.143
16 HE3 LYS 2 HE1 LYS 2 -6.085 -0.612 -5.691
17 HZ1 LYS 2 HZ1 LYS 2 -7.438 -2.791 -7.181
18 HZ2 LYS 2 HZ2 LYS 2 -6.094 -1.949 -7.753
19 HZ3 LYS 2 HZ3 LYS 2 -7.552 -1.151 -7.503
20 HA PRO 3 HA PRO 3 -2.501 -7.933 -1.862
21 HB2 PRO 3 HB2 PRO 3 -1.045 -8.573 -4.096
22 HB3 PRO 3 HB1 PRO 3 -2.678 -9.176 -3.798
23 HG2 PRO 3 HG2 PRO 3 -1.778 -6.897 -5.511
24 HG3 PRO 3 HG1 PRO 3 -3.002 -8.136 -5.848
25 HD2 PRO 3 HD2 PRO 3 -3.654 -5.648 -5.051
26 HD3 PRO 3 HD1 PRO 3 -4.611 -7.068 -4.583
27 HA HYP 4 HA HYP 4 1.276 -5.872 -0.720
28 HB2 HYP 4 HB1 HYP 4 2.550 -7.470 0.315
29 HB3 HYP 4 HB2 HYP 4 2.811 -8.346 -1.197
30 HG HYP 4 HG HYP 4 1.379 -9.801 0.002
31 HD22 HYP 4 HD11 HYP 4 -0.966 -9.045 -1.012
32 HD23 HYP 4 HD12 HYP 4 0.367 -9.364 -2.149
33 HD1 HYP 4 HD2 HYP 4 -0.487 -8.915 0.994
34 H GLY 5 H GLY 5 2.256 -4.500 -1.994
35 HA2 GLY 5 HA2 GLY 5 3.996 -3.989 -3.522
36 HA3 GLY 5 HA1 GLY 5 3.647 -5.487 -4.360
37 H SER 6 H SER 6 0.672 -4.582 -3.939
38 HA SER 6 HA SER 6 0.402 -3.351 -6.472
39 HB2 SER 6 HB2 SER 6 -1.431 -4.581 -5.918
40 HB3 SER 6 HB1 SER 6 -1.566 -3.914 -4.253
41 HG SER 6 HG SER 6 -2.447 -2.064 -5.224
42 H LYS 7 H LYS 7 -0.909 -1.553 -6.546
43 HA LYS 7 HA LYS 7 0.566 0.672 -5.318
44 HB2 LYS 7 HB2 LYS 7 -1.733 0.834 -7.286
45 HB3 LYS 7 HB1 LYS 7 -0.713 2.167 -6.780
46 HG2 LYS 7 HG2 LYS 7 1.213 1.054 -7.837
47 HG3 LYS 7 HG1 LYS 7 0.127 -0.218 -8.407
48 HD2 LYS 7 HD2 LYS 7 -1.198 1.462 -9.594
49 HD3 LYS 7 HD1 LYS 7 -0.091 2.713 -9.044
50 HE2 LYS 7 HE2 LYS 7 1.735 1.667 -10.251
51 HE3 LYS 7 HE1 LYS 7 0.672 0.366 -10.771
52 HZ1 LYS 7 HZ1 LYS 7 0.380 3.238 -11.493
53 HZ2 LYS 7 HZ2 LYS 7 -0.671 2.010 -11.953
54 HZ3 LYS 7 HZ3 LYS 7 0.910 2.009 -12.504
55 H CYS 8 H CYS 8 -0.404 2.132 -3.930
56 HA CYS 8 HA CYS 8 -3.136 1.429 -3.068
57 HB2 CYS 8 HB2 CYS 8 -2.445 2.058 -0.789
58 HB3 CYS 8 HB1 CYS 8 -1.861 0.520 -1.382
59 H SER 9 H SER 9 -4.236 3.012 -1.823
60 HA SER 9 HA SER 9 -3.737 5.666 -2.779
61 HB2 SER 9 HB2 SER 9 -5.936 4.760 -1.016
62 HB3 SER 9 HB1 SER 9 -5.885 5.993 -2.273
63 HG SER 9 HG SER 9 -6.021 3.209 -2.565
64 HA HYP 10 HA HYP 10 -1.526 6.600 0.934
65 HB2 HYP 10 HB1 HYP 10 -0.980 8.785 0.610
66 HB3 HYP 10 HB2 HYP 10 -2.646 9.318 0.898
67 HG HYP 10 HG HYP 10 -2.269 9.648 -1.508
68 HD22 HYP 10 HD11 HYP 10 -3.624 7.608 -2.322
69 HD23 HYP 10 HD12 HYP 10 -4.321 8.408 -0.882
70 HD1 HYP 10 HD2 HYP 10 -1.736 7.081 -1.899
71 H SER 11 H SER 11 -4.836 8.025 1.082
72 HA SER 11 HA SER 11 -4.685 7.735 3.948
73 HB2 SER 11 HB2 SER 11 -6.916 8.990 3.850
74 HB3 SER 11 HB1 SER 11 -5.459 9.870 3.391
75 HG SER 11 HG SER 11 -6.602 10.300 1.700
76 H MET 12 H MET 12 -6.278 6.227 1.243
77 HA MET 12 HA MET 12 -8.245 4.885 2.824
78 HB2 MET 12 HB2 MET 12 -7.120 3.939 0.180
79 HB3 MET 12 HB1 MET 12 -8.487 3.268 1.006
80 HG2 MET 12 HG2 MET 12 -9.734 5.343 0.687
81 HG3 MET 12 HG1 MET 12 -8.361 6.026 -0.188
82 HE1 MET 12 HE1 MET 12 -10.867 5.330 -3.110
83 HE2 MET 12 HE2 MET 12 -9.845 6.529 -2.318
84 HE3 MET 12 3HE MET 12 -11.259 5.887 -1.483
85 H ARG 13 H ARG 13 -5.115 4.146 1.687
86 HA ARG 13 HA ARG 13 -3.654 2.443 2.022
87 HB2 ARG 13 HB2 ARG 13 -3.511 3.543 4.156
88 HB3 ARG 13 HB1 ARG 13 -4.983 2.767 4.697
89 HG2 ARG 13 HG2 ARG 13 -3.840 0.691 4.988
90 HG3 ARG 13 HG1 ARG 13 -2.428 1.280 4.116
91 HD2 ARG 13 HD2 ARG 13 -2.096 1.247 6.562
92 HD3 ARG 13 HD1 ARG 13 -1.914 2.838 5.846
93 HE ARG 13 HE ARG 13 -4.554 2.419 6.818
94 HH11 ARG 13 HH11 ARG 13 -1.250 3.134 7.855
95 HH12 ARG 13 HH12 ARG 13 -1.710 4.030 9.223
96 HH21 ARG 13 HH21 ARG 13 -5.196 3.681 8.722
97 HH22 ARG 13 HH22 ARG 13 -3.979 4.352 9.714
98 H ASP 14 H ASP 14 -5.524 1.670 0.541
99 HA ASP 14 HA ASP 14 -7.344 -0.306 1.454
100 HB2 ASP 14 HB2 ASP 14 -7.966 -0.385 -0.938
101 HB3 ASP 14 HB1 ASP 14 -8.065 1.220 -0.231
102 H CYS 15 H CYS 15 -4.735 -1.110 1.881
103 HA CYS 15 HA CYS 15 -4.266 -3.275 -0.061
104 HB2 CYS 15 HB2 CYS 15 -2.444 -2.357 2.145
105 HB3 CYS 15 HB1 CYS 15 -2.089 -3.474 0.863
106 H CYS 16 H CYS 16 -3.784 -5.355 0.746
107 HA CYS 16 HA CYS 16 -5.446 -6.252 2.827
108 HB2 CYS 16 HB2 CYS 16 -3.075 -7.585 1.542
109 HB3 CYS 16 HB1 CYS 16 -4.319 -8.399 2.481
110 H THR 17 H THR 17 -2.058 -5.365 2.697
111 HA THR 17 HA THR 17 -1.722 -6.026 5.504
112 HB THR 17 HB THR 17 0.671 -5.267 5.018
113 HG1 THR 17 HG1 THR 17 1.165 -5.250 2.704
114 HG21 THR 17 HG21 THR 17 -0.424 -7.558 3.359
115 HG22 THR 17 HG22 THR 17 0.029 -7.658 5.058
116 HG23 THR 17 HG23 THR 17 1.261 -7.348 3.832
117 H THR 18 H THR 18 -0.315 -3.383 3.737
118 HA THR 18 HA THR 18 -1.925 -1.332 4.773
119 HB THR 18 HB THR 18 -0.612 -1.874 6.819
120 HG1 THR 18 HG1 THR 18 0.046 0.223 7.233
121 HG21 THR 18 HG21 THR 18 1.797 -1.383 6.907
122 HG22 THR 18 HG22 THR 18 1.787 -1.101 5.167
123 HG23 THR 18 HG23 THR 18 1.434 -2.710 5.802
124 H CYS 19 H CYS 19 -0.511 0.805 4.263
125 HA CYS 19 HA CYS 19 0.462 0.389 1.502
126 HB2 CYS 19 HB2 CYS 19 -1.673 1.466 1.423
127 HB3 CYS 19 HB1 CYS 19 -1.228 2.590 2.698
128 H ILE 20 H ILE 20 2.478 1.031 1.170
129 HA ILE 20 HA ILE 20 3.820 2.790 3.055
130 HB ILE 20 HB ILE 20 4.914 1.665 0.464
131 HG12 ILE 20 HG12 ILE 20 4.809 0.235 3.141
132 HG13 ILE 20 HG11 ILE 20 4.002 -0.233 1.673
133 HG21 ILE 20 HG21 ILE 20 7.071 1.826 1.644
134 HG22 ILE 20 HG22 ILE 20 6.236 2.449 3.066
135 HG23 ILE 20 HG23 ILE 20 6.240 3.381 1.568
136 HD11 ILE 20 HD11 ILE 20 6.993 -0.158 1.982
137 HD12 ILE 20 HD12 ILE 20 6.095 -0.701 0.565
138 HD13 ILE 20 HD13 ILE 20 5.993 -1.604 2.076
139 H SER 21 H SER 21 3.123 4.891 2.617
140 HA SER 21 HA SER 21 2.177 5.578 0.014
141 HB2 SER 21 HB2 SER 21 1.152 6.460 2.109
142 HB3 SER 21 HB1 SER 21 2.617 7.402 2.383
143 HG SER 21 HG SER 21 1.294 8.761 1.416
144 H TYR 22 H TYR 22 5.230 5.501 1.327
145 HA TYR 22 HA TYR 22 6.433 7.648 -0.118
146 HB2 TYR 22 HB2 TYR 22 7.539 6.483 1.781
147 HB3 TYR 22 HB1 TYR 22 7.625 5.039 0.813
148 HD1 TYR 22 HD1 TYR 22 9.554 4.562 -0.354
149 HD2 TYR 22 HD2 TYR 22 8.705 8.613 0.601
150 HE1 TYR 22 HE1 TYR 22 11.683 5.234 -1.342
151 HE2 TYR 22 HE2 TYR 22 10.845 9.297 -0.391
152 HH TYR 22 HH TYR 22 12.649 7.326 -2.373
153 H THR 23 H THR 23 6.331 4.214 -0.629
154 HA THR 23 HA THR 23 7.305 4.342 -3.350
155 HB THR 23 HB THR 23 6.206 1.931 -1.884
156 HG1 THR 23 HG1 THR 23 8.813 3.030 -1.830
157 HG21 THR 23 HG21 THR 23 6.812 1.649 -4.279
158 HG22 THR 23 HG22 THR 23 7.883 0.734 -3.223
159 HG23 THR 23 HG23 THR 23 8.427 2.256 -3.926
160 H LYS 24 H LYS 24 4.305 4.442 -1.777
161 HA LYS 24 HA LYS 24 2.135 4.485 -2.296
162 HB2 LYS 24 HB2 LYS 24 2.558 4.266 -5.247
163 HB3 LYS 24 HB1 LYS 24 1.355 5.126 -4.362
164 HG2 LYS 24 HG2 LYS 24 4.207 6.061 -4.684
165 HG3 LYS 24 HG1 LYS 24 2.800 6.708 -5.517
166 HD2 LYS 24 HD2 LYS 24 3.335 6.800 -2.547
167 HD3 LYS 24 HD1 LYS 24 3.501 8.138 -3.678
168 HE2 LYS 24 HE2 LYS 24 1.091 8.032 -4.132
169 HE3 LYS 24 HE1 LYS 24 0.947 6.695 -2.992
170 HZ1 LYS 24 HZ1 LYS 24 1.772 8.231 -1.227
171 HZ2 LYS 24 HZ2 LYS 24 0.316 8.669 -1.922
172 HZ3 LYS 24 HZ3 LYS 24 1.703 9.500 -2.353
173 H ARG 25 H ARG 25 3.479 2.058 -1.862
174 HA ARG 25 HA ARG 25 1.838 0.242 -3.472
175 HB2 ARG 25 HB2 ARG 25 4.660 -0.348 -2.632
176 HB3 ARG 25 HB1 ARG 25 3.607 -1.445 -3.499
177 HG2 ARG 25 HG2 ARG 25 4.868 1.092 -4.497
178 HG3 ARG 25 HG1 ARG 25 5.188 -0.556 -5.046
179 HD2 ARG 25 HD2 ARG 25 2.755 -0.606 -5.829
180 HD3 ARG 25 HD1 ARG 25 2.706 1.067 -5.364
181 HE ARG 25 HE ARG 25 4.579 0.107 -7.387
182 HH11 ARG 25 HH11 ARG 25 2.322 2.555 -6.147
183 HH12 ARG 25 HH12 ARG 25 2.453 3.570 -7.509
184 HH21 ARG 25 HH21 ARG 25 4.751 1.565 -9.286
185 HH22 ARG 25 HH22 ARG 25 3.839 2.995 -9.303
186 H CYS 26 H CYS 26 1.552 -1.853 -2.436
187 HA CYS 26 HA CYS 26 0.879 -1.452 0.326
188 HB2 CYS 26 HB2 CYS 26 0.503 -3.815 -1.513
189 HB3 CYS 26 HB1 CYS 26 -0.212 -3.629 0.088
190 H ARG 27 H ARG 27 1.747 -2.511 1.986
191 HA ARG 27 HA ARG 27 4.512 -3.165 1.882
192 HB2 ARG 27 HB2 ARG 27 3.097 -2.248 3.827
193 HB3 ARG 27 HB1 ARG 27 2.592 -3.886 4.051
194 HG2 ARG 27 HG2 ARG 27 4.921 -4.627 4.300
195 HG3 ARG 27 HG1 ARG 27 5.433 -2.944 4.247
196 HD2 ARG 27 HD2 ARG 27 4.280 -2.481 6.299
197 HD3 ARG 27 HD1 ARG 27 3.513 -4.075 6.278
198 HE ARG 27 HE ARG 27 6.300 -4.316 6.143
199 HH11 ARG 27 HH11 ARG 27 3.802 -3.555 8.561
200 HH12 ARG 27 HH12 ARG 27 4.680 -4.220 9.851
201 HH21 ARG 27 HH21 ARG 27 7.423 -5.240 7.854
202 HH22 ARG 27 HH22 ARG 27 6.818 -5.198 9.462
203 H LYS 28 H LYS 28 5.491 -5.196 2.477
204 HA LYS 28 HA LYS 28 4.045 -7.699 1.850
205 HB2 LYS 28 HB2 LYS 28 6.898 -7.117 2.712
206 HB3 LYS 28 HB1 LYS 28 6.257 -8.694 2.372
207 HG2 LYS 28 HG2 LYS 28 6.544 -6.469 0.363
208 HG3 LYS 28 HG1 LYS 28 7.606 -7.864 0.527
209 HD2 LYS 28 HD2 LYS 28 5.673 -9.352 0.077
210 HD3 LYS 28 HD1 LYS 28 4.677 -7.924 -0.195
211 HE2 LYS 28 HE2 LYS 28 7.138 -8.667 -1.767
212 HE3 LYS 28 HE1 LYS 28 5.477 -8.943 -2.292
213 HZ1 LYS 28 HZ1 LYS 28 5.170 -6.509 -2.262
214 HZ2 LYS 28 HZ2 LYS 28 6.426 -6.960 -3.292
215 HZ3 LYS 28 HZ3 LYS 28 6.763 -6.319 -1.791
216 H TYR 29 H TYR 29 4.991 -9.344 3.543
217 HA TYR 29 HA TYR 29 3.471 -8.829 5.871
218 HB2 TYR 29 HB2 TYR 29 5.363 -11.021 5.123
219 HB3 TYR 29 HB1 TYR 29 4.700 -10.938 6.751
220 HD1 TYR 29 HD1 TYR 29 3.857 -11.378 3.169
221 HD2 TYR 29 HD2 TYR 29 2.386 -11.485 7.154
222 HE1 TYR 29 HE1 TYR 29 1.816 -12.436 2.372
223 HE2 TYR 29 HE2 TYR 29 0.335 -12.551 6.370
224 HH TYR 29 HH TYR 29 -0.936 -12.752 4.375
225 H TYR 30 H TYR 30 6.978 -9.178 5.535
226 HA TYR 30 HA TYR 30 7.186 -7.368 7.764
227 HB2 TYR 30 HB2 TYR 30 9.092 -9.554 6.927
228 HB3 TYR 30 HB1 TYR 30 9.519 -8.301 8.087
229 HD1 TYR 30 HD1 TYR 30 7.907 -11.464 7.610
230 HD2 TYR 30 HD2 TYR 30 8.124 -8.098 10.192
231 HE1 TYR 30 HE1 TYR 30 6.900 -12.788 9.413
232 HE2 TYR 30 HE2 TYR 30 7.123 -9.402 12.000
233 HH TYR 30 HH TYR 30 5.761 -11.373 12.295