Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633965 | 6mk4 RC | 30521 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 1HT TYR 1 -12.299 -0.238 2.567
2 H2 TYR 1 2HT TYR 1 -12.731 0.415 4.061
3 H3 TYR 1 3HT TYR 1 -11.506 -0.760 3.944
4 HA TYR 1 HA TYR 1 -11.350 1.936 2.773
5 HB2 TYR 1 2HB TYR 1 -9.788 0.686 5.044
6 HB3 TYR 1 1HB TYR 1 -9.549 2.288 4.387
7 HD1 TYR 1 1HD TYR 1 -11.510 0.213 6.641
8 HD2 TYR 1 2HD TYR 1 -11.152 4.086 4.917
9 HE1 TYR 1 1HE TYR 1 -12.959 1.121 8.386
10 HE2 TYR 1 2HE TYR 1 -12.606 4.996 6.653
11 HH TYR 1 HH TYR 1 -14.296 4.261 8.273
12 H CYS 2 H CYS 2 -9.481 2.195 1.518
13 HA CYS 2 HA CYS 2 -7.980 -0.221 0.962
14 HB2 CYS 2 2HB CYS 2 -6.780 1.191 -0.708
15 HB3 CYS 2 1HB CYS 2 -8.511 1.193 -0.988
16 H GLN 3 H GLN 3 -5.586 -0.121 1.226
17 HA GLN 3 HA GLN 3 -5.144 0.994 3.818
18 HB2 GLN 3 2HB GLN 3 -3.251 -0.673 2.145
19 HB3 GLN 3 1HB GLN 3 -3.062 -0.247 3.826
20 HG2 GLN 3 2HG GLN 3 -5.295 -1.924 2.725
21 HG3 GLN 3 1HG GLN 3 -3.848 -2.530 3.529
22 HE21 GLN 3 1HE2 GLN 3 -3.587 -2.120 5.690
23 HE22 GLN 3 2HE2 GLN 3 -4.913 -1.729 6.743
24 H LYS 4 H LYS 4 -4.165 2.680 4.319
25 HA LYS 4 HA LYS 4 -3.337 4.590 2.368
26 HB2 LYS 4 2HB LYS 4 -3.417 4.666 5.382
27 HB3 LYS 4 1HB LYS 4 -3.095 6.064 4.366
28 HG2 LYS 4 2HG LYS 4 -5.307 5.839 3.344
29 HG3 LYS 4 1HG LYS 4 -5.617 4.413 4.327
30 HD2 LYS 4 2HD LYS 4 -6.739 6.336 5.285
31 HD3 LYS 4 1HD LYS 4 -5.441 5.803 6.351
32 HE2 LYS 4 2HE LYS 4 -4.018 7.589 5.585
33 HE3 LYS 4 1HE LYS 4 -5.204 8.069 4.376
34 HZ1 LYS 4 1HZ LYS 4 -5.592 8.172 7.319
35 HZ2 LYS 4 2HZ LYS 4 -6.717 8.693 6.178
36 HZ3 LYS 4 3HZ LYS 4 -5.251 9.495 6.348
37 H TRP 5 H TRP 5 -1.299 5.955 2.996
38 HA TRP 5 HA TRP 5 0.923 4.347 2.394
39 HB2 TRP 5 2HB TRP 5 2.268 6.305 2.434
40 HB3 TRP 5 1HB TRP 5 0.677 6.843 1.911
41 HD1 TRP 5 HD TRP 5 -0.822 8.010 3.961
42 HE1 TRP 5 1HE TRP 5 -0.040 9.577 5.825
43 HE3 TRP 5 3HE TRP 5 4.129 6.854 3.902
44 HZ2 TRP 5 2HZ TRP 5 2.386 10.221 7.125
45 HZ3 TRP 5 3HZ TRP 5 5.616 7.977 5.500
46 HH2 TRP 5 HH TRP 5 4.749 9.627 7.075
47 H MET 6 H MET 6 -0.268 5.449 5.472
48 HA MET 6 HA MET 6 2.144 4.521 6.692
49 HB2 MET 6 2HB MET 6 1.323 5.432 8.848
50 HB3 MET 6 1HB MET 6 1.329 6.626 7.567
51 HG2 MET 6 2HG MET 6 -1.076 6.433 7.340
52 HG3 MET 6 1HG MET 6 -1.100 5.139 8.533
53 HE1 MET 6 1HE MET 6 -0.078 9.536 9.538
54 HE2 MET 6 2HE MET 6 -0.510 8.971 7.922
55 HE3 MET 6 3HE MET 6 1.029 8.498 8.643
56 H TRP 7 H TRP 7 -0.275 2.961 5.520
57 HA TRP 7 HA TRP 7 -0.729 1.126 7.748
58 HB2 TRP 7 2HB TRP 7 -2.326 1.623 5.206
59 HB3 TRP 7 1HB TRP 7 -2.655 0.283 6.290
60 HD1 TRP 7 HD TRP 7 -1.824 3.388 8.159
61 HE1 TRP 7 1HE TRP 7 -3.968 4.493 9.101
62 HE3 TRP 7 3HE TRP 7 -5.334 0.681 5.650
63 HZ2 TRP 7 2HZ TRP 7 -6.747 4.242 8.813
64 HZ3 TRP 7 3HZ TRP 7 -7.694 1.175 6.024
65 HH2 TRP 7 HH TRP 7 -8.392 2.920 7.583
66 H THR 8 H THR 8 -1.230 -1.189 6.567
67 HA THR 8 HA THR 8 1.034 -1.723 4.784
68 HB THR 8 HB THR 8 1.331 -3.868 6.063
69 HG1 THR 8 1HG THR 8 0.117 -3.216 8.332
70 HG21 THR 8 1HG2 THR 8 1.472 -1.387 7.798
71 HG22 THR 8 2HG2 THR 8 2.712 -1.885 6.656
72 HG23 THR 8 3HG2 THR 8 2.359 -2.886 8.069
73 H CYS 9 H CYS 9 0.547 -4.001 3.483
74 HA CYS 9 HA CYS 9 -2.339 -4.361 3.632
75 HB2 CYS 9 2HB CYS 9 -2.480 -4.733 1.247
76 HB3 CYS 9 1HB CYS 9 -1.763 -3.162 1.568
77 H ASP 10 H ASP 10 -2.798 -6.488 2.128
78 HA ASP 10 HA ASP 10 -1.131 -8.687 2.958
79 HB2 ASP 10 2HB ASP 10 -2.598 -8.205 4.967
80 HB3 ASP 10 1HB ASP 10 -3.996 -8.345 3.908
81 H SER 11 H SER 11 -3.019 -10.686 2.311
82 HA SER 11 HA SER 11 -3.224 -10.422 -0.515
83 HB2 SER 11 2HB SER 11 -4.469 -12.492 1.310
84 HB3 SER 11 1HB SER 11 -4.101 -12.669 -0.407
85 HG SER 11 HG SER 11 -1.853 -12.081 0.430
86 H GLU 12 H GLU 12 -5.285 -9.993 2.250
87 HA GLU 12 HA GLU 12 -7.654 -9.602 0.592
88 HB2 GLU 12 2HB GLU 12 -7.371 -9.315 3.573
89 HB3 GLU 12 1HB GLU 12 -8.868 -9.354 2.667
90 HG2 GLU 12 2HG GLU 12 -8.391 -11.671 1.992
91 HG3 GLU 12 1HG GLU 12 -6.923 -11.627 2.966
92 H ARG 13 H ARG 13 -5.805 -7.788 3.015
93 HA ARG 13 HA ARG 13 -7.117 -5.304 2.474
94 HB2 ARG 13 2HB ARG 13 -4.470 -5.829 3.862
95 HB3 ARG 13 1HB ARG 13 -5.310 -4.292 3.847
96 HG2 ARG 13 2HG ARG 13 -7.179 -5.332 5.085
97 HG3 ARG 13 1HG ARG 13 -6.270 -6.845 5.132
98 HD2 ARG 13 2HD ARG 13 -5.333 -4.216 6.294
99 HD3 ARG 13 1HD ARG 13 -6.051 -5.523 7.228
100 HE ARG 13 HE ARG 13 -4.071 -6.868 6.310
101 HH11 ARG 13 1HH1 ARG 13 -3.920 -3.491 7.351
102 HH12 ARG 13 2HH1 ARG 13 -2.241 -3.497 7.602
103 HH21 ARG 13 1HH2 ARG 13 -1.719 -6.879 6.766
104 HH22 ARG 13 2HH2 ARG 13 -0.995 -5.425 7.268
105 H LYS 14 H LYS 14 -6.800 -4.103 0.667
106 HA LYS 14 HA LYS 14 -4.242 -4.357 -0.760
107 HB2 LYS 14 2HB LYS 14 -6.913 -3.317 -1.697
108 HB3 LYS 14 1HB LYS 14 -5.441 -3.278 -2.647
109 HG2 LYS 14 2HG LYS 14 -5.371 -5.721 -2.610
110 HG3 LYS 14 1HG LYS 14 -6.884 -5.739 -1.691
111 HD2 LYS 14 2HD LYS 14 -8.023 -4.613 -3.512
112 HD3 LYS 14 1HD LYS 14 -6.512 -4.491 -4.410
113 HE2 LYS 14 2HE LYS 14 -6.385 -6.935 -4.508
114 HE3 LYS 14 1HE LYS 14 -7.914 -7.048 -3.638
115 HZ1 LYS 14 1HZ LYS 14 -7.521 -5.770 -6.283
116 HZ2 LYS 14 2HZ LYS 14 -8.969 -5.850 -5.463
117 HZ3 LYS 14 3HZ LYS 14 -8.249 -7.270 -6.017
118 H CYS 15 H CYS 15 -3.013 -2.560 -1.206
119 HA CYS 15 HA CYS 15 -3.450 -0.178 0.359
120 HB2 CYS 15 2HB CYS 15 -1.420 -0.725 -1.820
121 HB3 CYS 15 1HB CYS 15 -1.408 0.656 -0.729
122 H CYS 16 H CYS 16 -3.825 1.880 -0.410
123 HA CYS 16 HA CYS 16 -5.734 2.093 -2.447
124 HB2 CYS 16 2HB CYS 16 -3.957 4.280 -1.355
125 HB3 CYS 16 1HB CYS 16 -5.500 4.502 -2.173
126 H LYS 17 H LYS 17 -5.590 2.810 -4.568
127 HA LYS 17 HA LYS 17 -3.374 2.003 -6.066
128 HB2 LYS 17 2HB LYS 17 -5.618 3.862 -6.836
129 HB3 LYS 17 1HB LYS 17 -4.496 3.122 -7.969
130 HG2 LYS 17 2HG LYS 17 -5.338 0.913 -7.345
131 HG3 LYS 17 1HG LYS 17 -6.457 1.665 -6.204
132 HD2 LYS 17 2HD LYS 17 -7.510 2.886 -8.068
133 HD3 LYS 17 1HD LYS 17 -6.409 2.092 -9.192
134 HE2 LYS 17 2HE LYS 17 -7.325 -0.086 -8.557
135 HE3 LYS 17 1HE LYS 17 -8.406 0.706 -7.417
136 HZ1 LYS 17 1HZ LYS 17 -9.529 1.795 -9.219
137 HZ2 LYS 17 2HZ LYS 17 -9.467 0.145 -9.556
138 HZ3 LYS 17 3HZ LYS 17 -8.430 1.192 -10.345
139 H GLY 18 H GLY 18 -1.677 3.052 -6.929
140 HA2 GLY 18 2HA GLY 18 -0.500 5.117 -7.484
141 HA3 GLY 18 1HA GLY 18 -1.282 5.861 -6.085
142 H MET 19 H MET 19 -0.949 3.177 -4.787
143 HA MET 19 HA MET 19 1.894 3.278 -4.126
144 HB2 MET 19 2HB MET 19 -0.496 2.765 -2.334
145 HB3 MET 19 1HB MET 19 1.154 2.383 -1.864
146 HG2 MET 19 2HG MET 19 1.776 4.682 -1.995
147 HG3 MET 19 1HG MET 19 0.165 5.149 -2.571
148 HE1 MET 19 1HE MET 19 -1.933 4.464 0.668
149 HE2 MET 19 2HE MET 19 -1.664 3.340 -0.660
150 HE3 MET 19 3HE MET 19 -1.968 5.048 -0.995
151 H VAL 20 H VAL 20 2.660 1.120 -3.415
152 HA VAL 20 HA VAL 20 1.226 -0.907 -4.958
153 HB VAL 20 HB VAL 20 3.368 -2.138 -5.105
154 HG11 VAL 20 1HG1 VAL 20 3.523 0.695 -6.111
155 HG12 VAL 20 2HG1 VAL 20 2.723 -0.656 -6.913
156 HG13 VAL 20 3HG1 VAL 20 4.475 -0.664 -6.710
157 HG21 VAL 20 1HG2 VAL 20 5.480 -1.014 -4.507
158 HG22 VAL 20 2HG2 VAL 20 4.469 -1.304 -3.093
159 HG23 VAL 20 3HG2 VAL 20 4.561 0.311 -3.794
160 H CYS 21 H CYS 21 0.842 -2.889 -4.102
161 HA CYS 21 HA CYS 21 0.593 -2.931 -1.249
162 HB2 CYS 21 2HB CYS 21 -1.155 -3.806 -2.846
163 HB3 CYS 21 1HB CYS 21 -0.050 -5.109 -3.253
164 H ARG 22 H ARG 22 1.919 -3.864 0.129
165 HA ARG 22 HA ARG 22 3.762 -5.931 -0.508
166 HB2 ARG 22 2HB ARG 22 4.824 -3.818 -1.427
167 HB3 ARG 22 1HB ARG 22 4.724 -3.114 0.168
168 HG2 ARG 22 2HG ARG 22 6.993 -3.881 -0.472
169 HG3 ARG 22 1HG ARG 22 6.393 -4.641 1.000
170 HD2 ARG 22 2HD ARG 22 7.538 -6.197 -0.569
171 HD3 ARG 22 1HD ARG 22 5.889 -6.654 -0.169
172 HE ARG 22 HE ARG 22 6.387 -5.158 -2.621
173 HH11 ARG 22 1HH1 ARG 22 5.545 -8.227 -1.067
174 HH12 ARG 22 2HH1 ARG 22 4.940 -8.951 -2.493
175 HH21 ARG 22 1HH2 ARG 22 5.535 -6.178 -4.577
176 HH22 ARG 22 2HH2 ARG 22 4.937 -7.773 -4.517
177 H LEU 23 H LEU 23 5.236 -5.961 1.716
178 HA LEU 23 HA LEU 23 3.810 -6.565 3.936
179 HB2 LEU 23 2HB LEU 23 6.515 -5.238 3.821
180 HB3 LEU 23 1HB LEU 23 5.852 -5.978 5.263
181 HG LEU 23 HG LEU 23 6.503 -7.438 2.697
182 HD11 LEU 23 1HD1 LEU 23 7.965 -7.344 5.332
183 HD12 LEU 23 2HD1 LEU 23 8.510 -6.620 3.819
184 HD13 LEU 23 3HD1 LEU 23 8.374 -8.374 3.961
185 HD21 LEU 23 1HD2 LEU 23 4.699 -8.505 3.951
186 HD22 LEU 23 2HD2 LEU 23 5.673 -8.441 5.419
187 HD23 LEU 23 3HD2 LEU 23 6.181 -9.452 4.070
188 H TRP 24 H TRP 24 4.742 -3.365 2.855
189 HA TRP 24 HA TRP 24 2.789 -2.299 4.657
190 HB2 TRP 24 2HB TRP 24 4.178 -0.470 5.352
191 HB3 TRP 24 1HB TRP 24 5.169 -1.904 5.554
192 HD1 TRP 24 HD TRP 24 4.953 1.314 3.798
193 HE1 TRP 24 1HE TRP 24 7.093 1.724 2.346
194 HE3 TRP 24 3HE TRP 24 7.004 -3.299 4.127
195 HZ2 TRP 24 2HZ TRP 24 9.325 0.233 1.492
196 HZ3 TRP 24 3HZ TRP 24 9.132 -3.761 2.969
197 HH2 TRP 24 HH TRP 24 10.257 -2.019 1.678
198 H CYS 25 H CYS 25 2.045 -0.095 3.668
199 HA CYS 25 HA CYS 25 1.945 -0.428 0.818
200 HB2 CYS 25 2HB CYS 25 0.697 1.635 2.632
201 HB3 CYS 25 1HB CYS 25 0.425 1.546 0.891
202 H LYS 26 H LYS 26 3.227 0.456 -0.580
203 HA LYS 26 HA LYS 26 4.960 2.656 0.316
204 HB2 LYS 26 2HB LYS 26 6.204 0.571 0.174
205 HB3 LYS 26 1HB LYS 26 5.617 0.304 -1.460
206 HG2 LYS 26 2HG LYS 26 6.852 2.138 -2.288
207 HG3 LYS 26 1HG LYS 26 7.283 2.663 -0.670
208 HD2 LYS 26 2HD LYS 26 9.212 1.548 -1.599
209 HD3 LYS 26 1HD LYS 26 8.508 0.447 -0.422
210 HE2 LYS 26 2HE LYS 26 9.113 -0.804 -2.385
211 HE3 LYS 26 1HE LYS 26 7.357 -0.732 -2.288
212 HZ1 LYS 26 1HZ LYS 26 8.195 -0.326 -4.542
213 HZ2 LYS 26 2HZ LYS 26 9.048 1.016 -3.988
214 HZ3 LYS 26 3HZ LYS 26 7.389 1.041 -3.975
215 H LYS 27 H LYS 27 5.015 4.414 -0.985
216 HA LYS 27 HA LYS 27 3.222 4.751 -3.120
217 HB2 LYS 27 2HB LYS 27 4.443 6.821 -3.608
218 HB3 LYS 27 1HB LYS 27 4.045 6.665 -1.908
219 HG2 LYS 27 2HG LYS 27 6.365 5.956 -1.460
220 HG3 LYS 27 1HG LYS 27 6.737 6.166 -3.171
221 HD2 LYS 27 2HD LYS 27 6.102 8.544 -2.987
222 HD3 LYS 27 1HD LYS 27 5.811 8.313 -1.267
223 HE2 LYS 27 2HE LYS 27 8.148 7.664 -0.954
224 HE3 LYS 27 1HE LYS 27 8.442 7.893 -2.671
225 HZ1 LYS 27 1HZ LYS 27 9.158 9.816 -1.410
226 HZ2 LYS 27 2HZ LYS 27 7.638 10.028 -0.758
227 HZ3 LYS 27 3HZ LYS 27 7.875 10.231 -2.420
228 H LYS 28 H LYS 28 3.343 4.735 -5.235
229 HA LYS 28 HA LYS 28 5.236 2.847 -6.237
230 HB2 LYS 28 2HB LYS 28 2.847 2.743 -6.845
231 HB3 LYS 28 1HB LYS 28 2.992 4.294 -7.644
232 HG2 LYS 28 2HG LYS 28 4.411 3.374 -9.327
233 HG3 LYS 28 1HG LYS 28 4.536 1.844 -8.454
234 HD2 LYS 28 2HD LYS 28 2.148 1.470 -8.740
235 HD3 LYS 28 1HD LYS 28 1.998 3.014 -9.571
236 HE2 LYS 28 2HE LYS 28 2.048 1.101 -11.118
237 HE3 LYS 28 1HE LYS 28 3.379 2.219 -11.387
238 HZ1 LYS 28 1HZ LYS 28 4.867 0.703 -10.289
239 HZ2 LYS 28 2HZ LYS 28 4.020 -0.120 -11.483
240 HZ3 LYS 28 3HZ LYS 28 3.588 -0.335 -9.879
241 H LEU 29 H LEU 29 7.144 3.680 -6.362
242 HA LEU 29 HA LEU 29 7.696 6.269 -7.532
243 HB2 LEU 29 2HB LEU 29 8.939 5.363 -5.581
244 HB3 LEU 29 1HB LEU 29 9.534 4.063 -6.586
245 HG LEU 29 HG LEU 29 10.747 5.749 -7.958
246 HD11 LEU 29 1HD1 LEU 29 9.354 7.685 -7.491
247 HD12 LEU 29 2HD1 LEU 29 11.033 8.005 -7.054
248 HD13 LEU 29 3HD1 LEU 29 9.846 7.651 -5.797
249 HD21 LEU 29 1HD2 LEU 29 11.879 4.531 -6.185
250 HD22 LEU 29 2HD2 LEU 29 11.352 5.732 -5.007
251 HD23 LEU 29 3HD2 LEU 29 12.484 6.185 -6.280
252 H TRP 30 H TRP 30 7.605 2.946 -8.368
253 HA TRP 30 HA TRP 30 8.486 3.559 -11.083
254 HB2 TRP 30 2HB TRP 30 10.092 2.101 -9.754
255 HB3 TRP 30 1HB TRP 30 8.810 0.902 -9.661
256 HD1 TRP 30 HD TRP 30 11.424 2.331 -11.978
257 HE1 TRP 30 1HE TRP 30 11.584 0.873 -14.107
258 HE3 TRP 30 3HE TRP 30 7.319 -0.607 -11.266
259 HZ2 TRP 30 2HZ TRP 30 10.152 -1.224 -15.314
260 HZ3 TRP 30 3HZ TRP 30 6.778 -2.321 -12.955
261 HH2 TRP 30 HH TRP 30 8.164 -2.613 -14.933
Start of MODEL 2
1 H1 TYR 1 1HT TYR 1 -12.940 -1.247 3.717
2 H2 TYR 1 2HT TYR 1 -12.183 -1.824 2.317
3 H3 TYR 1 3HT TYR 1 -12.778 -0.259 2.359
4 HA TYR 1 HA TYR 1 -11.186 0.376 4.013
5 HB2 TYR 1 2HB TYR 1 -10.154 -2.444 3.573
6 HB3 TYR 1 1HB TYR 1 -9.286 -1.185 4.421
7 HD1 TYR 1 1HD TYR 1 -12.374 -3.298 4.564
8 HD2 TYR 1 2HD TYR 1 -9.556 -0.947 6.724
9 HE1 TYR 1 1HE TYR 1 -13.278 -4.147 6.653
10 HE2 TYR 1 2HE TYR 1 -10.470 -1.783 8.825
11 HH TYR 1 HH TYR 1 -12.398 -2.825 9.715
12 H CYS 2 H CYS 2 -9.134 1.150 3.277
13 HA CYS 2 HA CYS 2 -7.990 0.108 0.872
14 HB2 CYS 2 2HB CYS 2 -9.579 2.056 0.210
15 HB3 CYS 2 1HB CYS 2 -8.453 3.036 1.182
16 H GLN 3 H GLN 3 -5.932 0.320 1.082
17 HA GLN 3 HA GLN 3 -5.157 1.079 3.762
18 HB2 GLN 3 2HB GLN 3 -3.352 -0.381 1.814
19 HB3 GLN 3 1HB GLN 3 -3.082 -0.095 3.505
20 HG2 GLN 3 2HG GLN 3 -5.324 -1.764 2.418
21 HG3 GLN 3 1HG GLN 3 -3.810 -2.375 3.081
22 HE21 GLN 3 1HE2 GLN 3 -3.426 -2.179 5.301
23 HE22 GLN 3 2HE2 GLN 3 -4.738 -1.949 6.398
24 H LYS 4 H LYS 4 -3.969 2.654 4.329
25 HA LYS 4 HA LYS 4 -3.179 4.634 2.363
26 HB2 LYS 4 2HB LYS 4 -3.072 4.647 5.376
27 HB3 LYS 4 1HB LYS 4 -2.756 6.030 4.338
28 HG2 LYS 4 2HG LYS 4 -5.339 4.538 4.463
29 HG3 LYS 4 1HG LYS 4 -5.027 5.996 5.416
30 HD2 LYS 4 2HD LYS 4 -4.991 5.809 2.387
31 HD3 LYS 4 1HD LYS 4 -6.337 6.415 3.343
32 HE2 LYS 4 2HE LYS 4 -3.566 7.597 3.293
33 HE3 LYS 4 1HE LYS 4 -4.949 8.223 2.406
34 HZ1 LYS 4 1HZ LYS 4 -4.611 9.451 4.457
35 HZ2 LYS 4 2HZ LYS 4 -4.679 8.046 5.356
36 HZ3 LYS 4 3HZ LYS 4 -6.060 8.581 4.568
37 H TRP 5 H TRP 5 -1.056 5.722 2.875
38 HA TRP 5 HA TRP 5 1.019 3.753 2.576
39 HB2 TRP 5 2HB TRP 5 2.532 5.519 2.110
40 HB3 TRP 5 1HB TRP 5 0.995 6.062 1.455
41 HD1 TRP 5 HD TRP 5 -0.353 7.905 3.165
42 HE1 TRP 5 1HE TRP 5 0.678 9.812 4.548
43 HE3 TRP 5 3HE TRP 5 4.491 6.281 3.323
44 HZ2 TRP 5 2HZ TRP 5 3.219 10.531 5.570
45 HZ3 TRP 5 3HZ TRP 5 6.147 7.637 4.533
46 HH2 TRP 5 HH TRP 5 5.514 9.716 5.626
47 H MET 6 H MET 6 -0.404 5.178 5.195
48 HA MET 6 HA MET 6 1.895 5.001 6.925
49 HB2 MET 6 2HB MET 6 0.409 5.785 8.704
50 HB3 MET 6 1HB MET 6 0.284 6.817 7.288
51 HG2 MET 6 2HG MET 6 -1.779 5.667 6.647
52 HG3 MET 6 1HG MET 6 -1.660 4.660 8.083
53 HE1 MET 6 1HE MET 6 -0.623 6.858 10.236
54 HE2 MET 6 2HE MET 6 -1.818 5.600 10.540
55 HE3 MET 6 3HE MET 6 -2.181 7.279 10.950
56 H TRP 7 H TRP 7 -0.266 2.831 5.642
57 HA TRP 7 HA TRP 7 -0.123 1.067 7.986
58 HB2 TRP 7 2HB TRP 7 -2.211 1.047 5.788
59 HB3 TRP 7 1HB TRP 7 -2.138 -0.072 7.135
60 HD1 TRP 7 HD TRP 7 -1.549 2.471 9.257
61 HE1 TRP 7 1HE TRP 7 -3.615 3.847 9.963
62 HE3 TRP 7 3HE TRP 7 -4.703 1.103 5.555
63 HZ2 TRP 7 2HZ TRP 7 -6.254 4.281 9.043
64 HZ3 TRP 7 3HZ TRP 7 -6.990 2.024 5.509
65 HH2 TRP 7 HH TRP 7 -7.743 3.574 7.228
66 H THR 8 H THR 8 -0.677 -1.285 6.935
67 HA THR 8 HA THR 8 1.332 -1.718 4.857
68 HB THR 8 HB THR 8 1.740 -3.901 6.033
69 HG1 THR 8 1HG THR 8 0.314 -4.489 7.434
70 HG21 THR 8 1HG2 THR 8 2.929 -3.010 7.984
71 HG22 THR 8 2HG2 THR 8 2.026 -1.502 7.853
72 HG23 THR 8 3HG2 THR 8 3.169 -1.953 6.592
73 H CYS 9 H CYS 9 0.683 -3.843 3.455
74 HA CYS 9 HA CYS 9 -2.137 -4.273 3.934
75 HB2 CYS 9 2HB CYS 9 -2.410 -4.707 1.447
76 HB3 CYS 9 1HB CYS 9 -2.235 -3.031 1.901
77 H ASP 10 H ASP 10 -2.929 -6.192 3.863
78 HA ASP 10 HA ASP 10 -1.075 -8.416 3.838
79 HB2 ASP 10 2HB ASP 10 -4.022 -8.246 4.588
80 HB3 ASP 10 1HB ASP 10 -3.000 -9.661 4.791
81 H SER 11 H SER 11 -2.748 -10.443 2.936
82 HA SER 11 HA SER 11 -2.417 -10.151 0.171
83 HB2 SER 11 2HB SER 11 -4.121 -12.201 1.576
84 HB3 SER 11 1HB SER 11 -3.292 -12.350 0.030
85 HG SER 11 HG SER 11 -2.401 -13.106 2.266
86 H GLU 12 H GLU 12 -5.344 -10.106 2.214
87 HA GLU 12 HA GLU 12 -6.939 -9.485 -0.132
88 HB2 GLU 12 2HB GLU 12 -7.721 -10.046 2.712
89 HB3 GLU 12 1HB GLU 12 -8.870 -9.637 1.444
90 HG2 GLU 12 2HG GLU 12 -7.018 -11.987 1.459
91 HG3 GLU 12 1HG GLU 12 -8.741 -12.040 1.849
92 H ARG 13 H ARG 13 -5.141 -7.728 1.896
93 HA ARG 13 HA ARG 13 -7.046 -5.550 2.091
94 HB2 ARG 13 2HB ARG 13 -4.171 -5.671 2.916
95 HB3 ARG 13 1HB ARG 13 -5.126 -4.206 3.013
96 HG2 ARG 13 2HG ARG 13 -5.489 -6.753 4.560
97 HG3 ARG 13 1HG ARG 13 -5.006 -5.171 5.183
98 HD2 ARG 13 2HD ARG 13 -7.225 -5.188 5.773
99 HD3 ARG 13 1HD ARG 13 -7.347 -4.471 4.169
100 HE ARG 13 HE ARG 13 -7.484 -7.317 4.194
101 HH11 ARG 13 1HH1 ARG 13 -9.394 -4.375 4.331
102 HH12 ARG 13 2HH1 ARG 13 -10.892 -5.164 4.065
103 HH21 ARG 13 1HH2 ARG 13 -9.543 -8.421 3.867
104 HH22 ARG 13 2HH2 ARG 13 -10.969 -7.507 3.784
105 H LYS 14 H LYS 14 -7.374 -4.291 0.599
106 HA LYS 14 HA LYS 14 -5.538 -4.115 -1.636
107 HB2 LYS 14 2HB LYS 14 -8.351 -3.051 -1.317
108 HB3 LYS 14 1HB LYS 14 -7.406 -2.986 -2.800
109 HG2 LYS 14 2HG LYS 14 -7.367 -5.410 -2.926
110 HG3 LYS 14 1HG LYS 14 -8.222 -5.528 -1.395
111 HD2 LYS 14 2HD LYS 14 -9.763 -5.911 -3.199
112 HD3 LYS 14 1HD LYS 14 -10.156 -4.370 -2.440
113 HE2 LYS 14 2HE LYS 14 -9.028 -3.181 -4.241
114 HE3 LYS 14 1HE LYS 14 -8.551 -4.711 -4.974
115 HZ1 LYS 14 1HZ LYS 14 -10.871 -5.238 -5.306
116 HZ2 LYS 14 2HZ LYS 14 -10.491 -3.787 -6.066
117 HZ3 LYS 14 3HZ LYS 14 -11.351 -3.777 -4.609
118 H CYS 15 H CYS 15 -4.056 -2.722 -1.484
119 HA CYS 15 HA CYS 15 -4.249 -0.392 0.183
120 HB2 CYS 15 2HB CYS 15 -2.164 -1.835 -0.119
121 HB3 CYS 15 1HB CYS 15 -2.034 -1.164 -1.736
122 H CYS 16 H CYS 16 -3.955 1.799 -0.641
123 HA CYS 16 HA CYS 16 -5.786 2.226 -2.700
124 HB2 CYS 16 2HB CYS 16 -3.956 4.138 -1.266
125 HB3 CYS 16 1HB CYS 16 -5.202 4.644 -2.408
126 H LYS 17 H LYS 17 -5.614 3.247 -4.701
127 HA LYS 17 HA LYS 17 -3.554 2.090 -6.238
128 HB2 LYS 17 2HB LYS 17 -5.863 2.351 -7.053
129 HB3 LYS 17 1HB LYS 17 -5.661 4.094 -7.063
130 HG2 LYS 17 2HG LYS 17 -3.997 3.936 -8.804
131 HG3 LYS 17 1HG LYS 17 -4.037 2.174 -8.720
132 HD2 LYS 17 2HD LYS 17 -6.415 2.235 -9.363
133 HD3 LYS 17 1HD LYS 17 -6.297 3.983 -9.546
134 HE2 LYS 17 2HE LYS 17 -4.703 3.752 -11.320
135 HE3 LYS 17 1HE LYS 17 -4.586 2.014 -11.051
136 HZ1 LYS 17 1HZ LYS 17 -6.892 1.799 -11.703
137 HZ2 LYS 17 2HZ LYS 17 -5.979 2.528 -12.934
138 HZ3 LYS 17 3HZ LYS 17 -7.004 3.461 -11.966
139 H GLY 18 H GLY 18 -1.746 2.877 -6.960
140 HA2 GLY 18 2HA GLY 18 -0.364 4.749 -7.690
141 HA3 GLY 18 1HA GLY 18 -1.125 5.715 -6.422
142 H MET 19 H MET 19 -1.051 3.151 -4.797
143 HA MET 19 HA MET 19 1.678 3.447 -3.783
144 HB2 MET 19 2HB MET 19 -0.826 2.276 -2.540
145 HB3 MET 19 1HB MET 19 0.754 2.296 -1.771
146 HG2 MET 19 2HG MET 19 0.761 4.600 -1.625
147 HG3 MET 19 1HG MET 19 -0.703 4.790 -2.617
148 HE1 MET 19 1HE MET 19 -2.035 6.241 -0.957
149 HE2 MET 19 2HE MET 19 -0.528 6.384 -0.056
150 HE3 MET 19 3HE MET 19 -2.029 6.001 0.791
151 H VAL 20 H VAL 20 2.702 1.449 -3.161
152 HA VAL 20 HA VAL 20 1.872 -0.748 -4.906
153 HB VAL 20 HB VAL 20 4.619 -0.161 -3.717
154 HG11 VAL 20 1HG1 VAL 20 3.756 -2.451 -5.499
155 HG12 VAL 20 2HG1 VAL 20 4.204 -2.586 -3.799
156 HG13 VAL 20 3HG1 VAL 20 5.410 -2.108 -4.995
157 HG21 VAL 20 1HG2 VAL 20 5.312 0.157 -6.025
158 HG22 VAL 20 2HG2 VAL 20 3.962 1.238 -5.645
159 HG23 VAL 20 3HG2 VAL 20 3.684 -0.223 -6.579
160 H CYS 21 H CYS 21 1.030 -2.408 -3.994
161 HA CYS 21 HA CYS 21 0.829 -2.546 -1.149
162 HB2 CYS 21 2HB CYS 21 -1.045 -3.160 -2.731
163 HB3 CYS 21 1HB CYS 21 -0.111 -4.579 -3.187
164 H ARG 22 H ARG 22 1.966 -3.789 0.163
165 HA ARG 22 HA ARG 22 3.534 -5.995 -0.709
166 HB2 ARG 22 2HB ARG 22 4.764 -3.692 -1.192
167 HB3 ARG 22 1HB ARG 22 4.947 -3.635 0.545
168 HG2 ARG 22 2HG ARG 22 6.978 -4.454 -0.271
169 HG3 ARG 22 1HG ARG 22 6.149 -5.883 0.331
170 HD2 ARG 22 2HD ARG 22 6.155 -5.001 -2.555
171 HD3 ARG 22 1HD ARG 22 7.279 -6.178 -1.893
172 HE ARG 22 HE ARG 22 4.673 -7.016 -1.348
173 HH11 ARG 22 1HH1 ARG 22 6.826 -6.628 -4.115
174 HH12 ARG 22 2HH1 ARG 22 6.100 -7.871 -5.022
175 HH21 ARG 22 1HH2 ARG 22 3.647 -8.684 -2.589
176 HH22 ARG 22 2HH2 ARG 22 4.253 -9.073 -4.127
177 H LEU 23 H LEU 23 4.957 -6.351 1.553
178 HA LEU 23 HA LEU 23 3.333 -6.888 3.684
179 HB2 LEU 23 2HB LEU 23 6.237 -6.051 3.817
180 HB3 LEU 23 1HB LEU 23 5.366 -6.875 5.093
181 HG LEU 23 HG LEU 23 5.994 -8.021 2.371
182 HD11 LEU 23 1HD1 LEU 23 7.968 -7.799 3.749
183 HD12 LEU 23 2HD1 LEU 23 7.508 -9.490 3.560
184 HD13 LEU 23 3HD1 LEU 23 7.155 -8.645 5.066
185 HD21 LEU 23 1HD2 LEU 23 3.897 -8.911 3.248
186 HD22 LEU 23 2HD2 LEU 23 4.689 -9.283 4.780
187 HD23 LEU 23 3HD2 LEU 23 5.167 -10.131 3.311
188 H TRP 24 H TRP 24 4.602 -3.837 2.715
189 HA TRP 24 HA TRP 24 2.992 -2.561 4.735
190 HB2 TRP 24 2HB TRP 24 4.657 -0.868 5.165
191 HB3 TRP 24 1HB TRP 24 5.486 -2.408 5.302
192 HD1 TRP 24 HD TRP 24 5.464 0.793 3.436
193 HE1 TRP 24 1HE TRP 24 7.414 0.889 1.752
194 HE3 TRP 24 3HE TRP 24 6.942 -4.065 3.693
195 HZ2 TRP 24 2HZ TRP 24 9.328 -0.909 0.656
196 HZ3 TRP 24 3HZ TRP 24 8.832 -4.814 2.292
197 HH2 TRP 24 HH TRP 24 9.994 -3.259 0.812
198 H CYS 25 H CYS 25 2.214 -0.363 3.814
199 HA CYS 25 HA CYS 25 2.077 -0.523 0.934
200 HB2 CYS 25 2HB CYS 25 0.686 1.201 2.957
201 HB3 CYS 25 1HB CYS 25 0.677 1.636 1.253
202 H LYS 26 H LYS 26 3.116 0.681 -0.446
203 HA LYS 26 HA LYS 26 5.053 2.597 0.640
204 HB2 LYS 26 2HB LYS 26 6.067 0.540 -0.260
205 HB3 LYS 26 1HB LYS 26 5.220 0.782 -1.776
206 HG2 LYS 26 2HG LYS 26 6.497 2.829 -2.161
207 HG3 LYS 26 1HG LYS 26 7.342 2.580 -0.632
208 HD2 LYS 26 2HD LYS 26 8.238 0.468 -1.458
209 HD3 LYS 26 1HD LYS 26 7.373 0.686 -2.979
210 HE2 LYS 26 2HE LYS 26 9.698 1.326 -3.243
211 HE3 LYS 26 1HE LYS 26 8.653 2.732 -3.398
212 HZ1 LYS 26 1HZ LYS 26 9.213 3.373 -1.133
213 HZ2 LYS 26 2HZ LYS 26 10.625 3.185 -2.021
214 HZ3 LYS 26 3HZ LYS 26 10.149 1.995 -0.947
215 H LYS 27 H LYS 27 4.735 4.622 -0.063
216 HA LYS 27 HA LYS 27 2.634 5.081 -2.010
217 HB2 LYS 27 2HB LYS 27 2.704 7.380 -1.356
218 HB3 LYS 27 1HB LYS 27 2.869 6.447 0.119
219 HG2 LYS 27 2HG LYS 27 5.277 6.865 0.100
220 HG3 LYS 27 1HG LYS 27 5.097 7.801 -1.386
221 HD2 LYS 27 2HD LYS 27 3.471 9.255 -0.106
222 HD3 LYS 27 1HD LYS 27 4.015 8.422 1.352
223 HE2 LYS 27 2HE LYS 27 5.696 10.039 -0.551
224 HE3 LYS 27 1HE LYS 27 5.238 10.486 1.088
225 HZ1 LYS 27 1HZ LYS 27 6.571 8.598 1.902
226 HZ2 LYS 27 2HZ LYS 27 7.490 9.670 0.981
227 HZ3 LYS 27 3HZ LYS 27 7.008 8.227 0.319
228 H LYS 28 H LYS 28 3.101 6.855 -3.667
229 HA LYS 28 HA LYS 28 5.251 5.939 -5.253
230 HB2 LYS 28 2HB LYS 28 4.604 7.630 -6.876
231 HB3 LYS 28 1HB LYS 28 3.206 6.763 -6.279
232 HG2 LYS 28 2HG LYS 28 2.861 8.724 -4.708
233 HG3 LYS 28 1HG LYS 28 4.052 9.574 -5.702
234 HD2 LYS 28 2HD LYS 28 2.676 9.004 -7.699
235 HD3 LYS 28 1HD LYS 28 1.456 8.364 -6.610
236 HE2 LYS 28 2HE LYS 28 0.764 10.552 -7.117
237 HE3 LYS 28 1HE LYS 28 1.449 10.567 -5.484
238 HZ1 LYS 28 1HZ LYS 28 2.928 11.414 -7.915
239 HZ2 LYS 28 2HZ LYS 28 3.457 11.588 -6.312
240 HZ3 LYS 28 3HZ LYS 28 2.144 12.470 -6.871
241 H LEU 29 H LEU 29 6.997 7.263 -6.110
242 HA LEU 29 HA LEU 29 8.714 7.964 -4.059
243 HB2 LEU 29 2HB LEU 29 9.415 7.206 -6.294
244 HB3 LEU 29 1HB LEU 29 8.902 8.733 -6.968
245 HG LEU 29 HG LEU 29 10.656 9.894 -5.681
246 HD11 LEU 29 1HD1 LEU 29 12.396 8.592 -4.554
247 HD12 LEU 29 2HD1 LEU 29 11.471 7.116 -4.832
248 HD13 LEU 29 3HD1 LEU 29 10.826 8.378 -3.784
249 HD21 LEU 29 1HD2 LEU 29 11.108 9.135 -7.956
250 HD22 LEU 29 2HD2 LEU 29 11.652 7.580 -7.336
251 HD23 LEU 29 3HD2 LEU 29 12.560 9.043 -6.960
252 H TRP 30 H TRP 30 6.879 10.107 -6.195
253 HA TRP 30 HA TRP 30 6.864 12.095 -4.139
254 HB2 TRP 30 2HB TRP 30 8.958 12.628 -5.328
255 HB3 TRP 30 1HB TRP 30 8.089 12.701 -6.850
256 HD1 TRP 30 HD TRP 30 7.554 15.092 -7.577
257 HE1 TRP 30 1HE TRP 30 7.249 17.374 -6.399
258 HE3 TRP 30 3HE TRP 30 8.000 13.580 -2.719
259 HZ2 TRP 30 2HZ TRP 30 7.178 18.377 -3.775
260 HZ3 TRP 30 3HZ TRP 30 7.794 15.262 -0.934
261 HH2 TRP 30 HH TRP 30 7.392 17.608 -1.454
Start of MODEL 3
1 H1 TYR 1 1HT TYR 1 -10.795 1.494 3.607
2 H2 TYR 1 2HT TYR 1 -11.528 0.018 3.305
3 H3 TYR 1 3HT TYR 1 -12.474 1.385 3.526
4 HA TYR 1 HA TYR 1 -12.393 0.760 1.236
5 HB2 TYR 1 2HB TYR 1 -12.550 3.196 1.951
6 HB3 TYR 1 1HB TYR 1 -10.815 3.311 1.713
7 HD1 TYR 1 1HD TYR 1 -9.868 3.293 -0.569
8 HD2 TYR 1 2HD TYR 1 -14.072 3.135 0.075
9 HE1 TYR 1 1HE TYR 1 -10.239 3.881 -2.907
10 HE2 TYR 1 2HE TYR 1 -14.459 3.719 -2.261
11 HH TYR 1 HH TYR 1 -13.257 4.859 -4.082
12 H CYS 2 H CYS 2 -9.153 2.032 2.168
13 HA CYS 2 HA CYS 2 -7.907 -0.227 0.991
14 HB2 CYS 2 2HB CYS 2 -6.522 1.119 -0.598
15 HB3 CYS 2 1HB CYS 2 -8.217 1.026 -1.053
16 H GLN 3 H GLN 3 -5.584 -0.128 1.336
17 HA GLN 3 HA GLN 3 -5.044 1.045 3.901
18 HB2 GLN 3 2HB GLN 3 -3.152 -0.509 2.126
19 HB3 GLN 3 1HB GLN 3 -3.019 -0.227 3.844
20 HG2 GLN 3 2HG GLN 3 -5.140 -1.877 2.511
21 HG3 GLN 3 1HG GLN 3 -3.739 -2.509 3.364
22 HE21 GLN 3 1HE2 GLN 3 -3.654 -2.248 5.597
23 HE22 GLN 3 2HE2 GLN 3 -5.075 -1.937 6.543
24 H LYS 4 H LYS 4 -3.942 2.806 4.250
25 HA LYS 4 HA LYS 4 -3.131 4.489 2.048
26 HB2 LYS 4 2HB LYS 4 -2.959 5.000 5.021
27 HB3 LYS 4 1HB LYS 4 -2.832 6.192 3.735
28 HG2 LYS 4 2HG LYS 4 -5.161 5.823 3.137
29 HG3 LYS 4 1HG LYS 4 -5.289 4.585 4.388
30 HD2 LYS 4 2HD LYS 4 -4.746 6.277 6.091
31 HD3 LYS 4 1HD LYS 4 -4.682 7.508 4.829
32 HE2 LYS 4 2HE LYS 4 -7.096 5.852 5.569
33 HE3 LYS 4 1HE LYS 4 -6.825 7.532 6.017
34 HZ1 LYS 4 1HZ LYS 4 -7.163 6.510 3.235
35 HZ2 LYS 4 2HZ LYS 4 -6.855 8.102 3.643
36 HZ3 LYS 4 3HZ LYS 4 -8.281 7.378 4.125
37 H TRP 5 H TRP 5 -0.973 5.816 2.675
38 HA TRP 5 HA TRP 5 1.091 3.957 2.174
39 HB2 TRP 5 2HB TRP 5 2.614 5.873 2.118
40 HB3 TRP 5 1HB TRP 5 1.145 6.219 1.221
41 HD1 TRP 5 HD TRP 5 3.074 7.263 4.348
42 HE1 TRP 5 1HE TRP 5 2.111 9.472 5.235
43 HE3 TRP 5 3HE TRP 5 -1.022 7.678 1.300
44 HZ2 TRP 5 2HZ TRP 5 -0.061 11.141 4.739
45 HZ3 TRP 5 3HZ TRP 5 -2.487 9.624 1.581
46 HH2 TRP 5 HH TRP 5 -2.012 11.327 3.265
47 H MET 6 H MET 6 -0.021 5.385 5.126
48 HA MET 6 HA MET 6 2.369 4.556 6.561
49 HB2 MET 6 2HB MET 6 1.234 6.715 7.115
50 HB3 MET 6 1HB MET 6 -0.188 5.812 7.596
51 HG2 MET 6 2HG MET 6 0.973 4.780 9.393
52 HG3 MET 6 1HG MET 6 2.492 5.461 8.821
53 HE1 MET 6 1HE MET 6 -0.990 6.182 10.469
54 HE2 MET 6 2HE MET 6 -1.041 7.258 9.069
55 HE3 MET 6 3HE MET 6 -0.949 7.928 10.698
56 H TRP 7 H TRP 7 -0.212 3.124 5.416
57 HA TRP 7 HA TRP 7 -0.735 1.313 7.656
58 HB2 TRP 7 2HB TRP 7 -2.180 1.630 5.000
59 HB3 TRP 7 1HB TRP 7 -2.594 0.437 6.210
60 HD1 TRP 7 HD TRP 7 -1.820 4.043 7.282
61 HE1 TRP 7 1HE TRP 7 -3.988 5.125 8.149
62 HE3 TRP 7 3HE TRP 7 -5.144 0.386 5.988
63 HZ2 TRP 7 2HZ TRP 7 -6.734 4.527 8.246
64 HZ3 TRP 7 3HZ TRP 7 -7.515 0.727 6.489
65 HH2 TRP 7 HH TRP 7 -8.295 2.757 7.596
66 H THR 8 H THR 8 -1.301 -1.007 6.512
67 HA THR 8 HA THR 8 1.030 -1.686 4.917
68 HB THR 8 HB THR 8 1.229 -3.794 6.349
69 HG1 THR 8 1HG THR 8 -0.440 -2.296 8.098
70 HG21 THR 8 1HG2 THR 8 1.571 -1.169 7.806
71 HG22 THR 8 2HG2 THR 8 2.778 -1.907 6.761
72 HG23 THR 8 3HG2 THR 8 2.317 -2.690 8.274
73 H CYS 9 H CYS 9 0.569 -3.830 3.522
74 HA CYS 9 HA CYS 9 -2.274 -4.340 3.697
75 HB2 CYS 9 2HB CYS 9 -2.422 -4.458 1.229
76 HB3 CYS 9 1HB CYS 9 -2.040 -2.853 1.833
77 H ASP 10 H ASP 10 -2.761 -6.248 2.060
78 HA ASP 10 HA ASP 10 -0.873 -8.422 2.359
79 HB2 ASP 10 2HB ASP 10 -3.622 -8.390 3.657
80 HB3 ASP 10 1HB ASP 10 -2.726 -9.857 3.325
81 H SER 11 H SER 11 -2.570 -10.440 1.575
82 HA SER 11 HA SER 11 -3.299 -9.611 -1.042
83 HB2 SER 11 2HB SER 11 -2.483 -11.953 -0.444
84 HB3 SER 11 1HB SER 11 -4.048 -12.223 0.320
85 HG SER 11 HG SER 11 -5.011 -11.743 -1.740
86 H GLU 12 H GLU 12 -4.908 -10.293 1.990
87 HA GLU 12 HA GLU 12 -7.555 -9.899 1.019
88 HB2 GLU 12 2HB GLU 12 -6.472 -9.736 3.820
89 HB3 GLU 12 1HB GLU 12 -8.174 -9.724 3.405
90 HG2 GLU 12 2HG GLU 12 -7.916 -11.959 2.425
91 HG3 GLU 12 1HG GLU 12 -6.234 -11.971 2.952
92 H ARG 13 H ARG 13 -5.462 -7.884 3.064
93 HA ARG 13 HA ARG 13 -7.225 -5.632 2.828
94 HB2 ARG 13 2HB ARG 13 -4.435 -5.816 3.972
95 HB3 ARG 13 1HB ARG 13 -5.462 -4.395 4.067
96 HG2 ARG 13 2HG ARG 13 -7.109 -5.715 5.351
97 HG3 ARG 13 1HG ARG 13 -5.997 -7.082 5.311
98 HD2 ARG 13 2HD ARG 13 -5.419 -4.378 6.510
99 HD3 ARG 13 1HD ARG 13 -5.846 -5.826 7.417
100 HE ARG 13 HE ARG 13 -3.672 -6.684 6.127
101 HH11 ARG 13 1HH1 ARG 13 -4.166 -3.660 7.887
102 HH12 ARG 13 2HH1 ARG 13 -2.525 -3.483 8.265
103 HH21 ARG 13 1HH2 ARG 13 -1.571 -6.495 6.658
104 HH22 ARG 13 2HH2 ARG 13 -0.957 -5.158 7.572
105 H LYS 14 H LYS 14 -7.358 -4.482 1.053
106 HA LYS 14 HA LYS 14 -5.203 -4.505 -0.878
107 HB2 LYS 14 2HB LYS 14 -7.915 -3.211 -1.025
108 HB3 LYS 14 1HB LYS 14 -6.769 -3.368 -2.346
109 HG2 LYS 14 2HG LYS 14 -8.109 -5.602 -0.894
110 HG3 LYS 14 1HG LYS 14 -8.547 -4.980 -2.502
111 HD2 LYS 14 2HD LYS 14 -6.326 -5.656 -3.315
112 HD3 LYS 14 1HD LYS 14 -5.949 -6.292 -1.709
113 HE2 LYS 14 2HE LYS 14 -7.819 -7.864 -1.896
114 HE3 LYS 14 1HE LYS 14 -8.172 -7.240 -3.504
115 HZ1 LYS 14 1HZ LYS 14 -6.904 -9.281 -3.597
116 HZ2 LYS 14 2HZ LYS 14 -5.685 -8.603 -2.672
117 HZ3 LYS 14 3HZ LYS 14 -5.984 -8.017 -4.232
118 H CYS 15 H CYS 15 -4.193 -2.822 -1.556
119 HA CYS 15 HA CYS 15 -4.017 -0.595 0.336
120 HB2 CYS 15 2HB CYS 15 -1.986 -1.981 -0.240
121 HB3 CYS 15 1HB CYS 15 -2.081 -1.349 -1.871
122 H CYS 16 H CYS 16 -3.683 1.641 -0.593
123 HA CYS 16 HA CYS 16 -5.789 2.153 -2.437
124 HB2 CYS 16 2HB CYS 16 -3.709 4.027 -1.297
125 HB3 CYS 16 1HB CYS 16 -5.122 4.528 -2.214
126 H LYS 17 H LYS 17 -5.688 3.234 -4.456
127 HA LYS 17 HA LYS 17 -3.693 2.248 -6.193
128 HB2 LYS 17 2HB LYS 17 -6.041 2.811 -6.896
129 HB3 LYS 17 1HB LYS 17 -5.645 4.513 -6.702
130 HG2 LYS 17 2HG LYS 17 -3.943 4.321 -8.454
131 HG3 LYS 17 1HG LYS 17 -4.320 2.612 -8.638
132 HD2 LYS 17 2HD LYS 17 -5.438 3.793 -10.392
133 HD3 LYS 17 1HD LYS 17 -6.660 3.277 -9.234
134 HE2 LYS 17 2HE LYS 17 -7.104 5.551 -9.955
135 HE3 LYS 17 1HE LYS 17 -6.653 5.550 -8.256
136 HZ1 LYS 17 1HZ LYS 17 -4.430 6.278 -8.872
137 HZ2 LYS 17 2HZ LYS 17 -5.564 7.332 -9.513
138 HZ3 LYS 17 3HZ LYS 17 -4.822 6.190 -10.507
139 H GLY 18 H GLY 18 -1.919 3.221 -7.023
140 HA2 GLY 18 2HA GLY 18 -0.416 4.995 -7.364
141 HA3 GLY 18 1HA GLY 18 -1.276 5.928 -6.139
142 H MET 19 H MET 19 -1.028 2.865 -5.039
143 HA MET 19 HA MET 19 1.576 3.322 -3.788
144 HB2 MET 19 2HB MET 19 -0.957 2.193 -2.599
145 HB3 MET 19 1HB MET 19 0.618 2.083 -1.822
146 HG2 MET 19 2HG MET 19 0.784 4.315 -1.529
147 HG3 MET 19 1HG MET 19 -0.531 4.721 -2.654
148 HE1 MET 19 1HE MET 19 -1.989 6.216 -1.197
149 HE2 MET 19 2HE MET 19 -0.566 6.270 -0.163
150 HE3 MET 19 3HE MET 19 -2.164 6.005 0.546
151 H VAL 20 H VAL 20 2.575 1.364 -3.108
152 HA VAL 20 HA VAL 20 2.075 -0.849 -4.969
153 HB VAL 20 HB VAL 20 4.600 -0.117 -3.444
154 HG11 VAL 20 1HG1 VAL 20 5.708 -1.802 -4.831
155 HG12 VAL 20 2HG1 VAL 20 4.141 -2.238 -5.521
156 HG13 VAL 20 3HG1 VAL 20 4.451 -2.495 -3.806
157 HG21 VAL 20 1HG2 VAL 20 3.997 0.183 -6.380
158 HG22 VAL 20 2HG2 VAL 20 5.554 0.497 -5.612
159 HG23 VAL 20 3HG2 VAL 20 4.156 1.495 -5.211
160 H CYS 21 H CYS 21 1.383 -2.688 -4.046
161 HA CYS 21 HA CYS 21 0.984 -2.651 -1.202
162 HB2 CYS 21 2HB CYS 21 -0.769 -3.463 -2.837
163 HB3 CYS 21 1HB CYS 21 0.257 -4.867 -3.129
164 H ARG 22 H ARG 22 2.069 -3.779 0.266
165 HA ARG 22 HA ARG 22 3.863 -5.914 -0.379
166 HB2 ARG 22 2HB ARG 22 4.985 -3.562 -0.865
167 HB3 ARG 22 1HB ARG 22 4.993 -3.396 0.879
168 HG2 ARG 22 2HG ARG 22 7.139 -4.132 0.208
169 HG3 ARG 22 1HG ARG 22 6.358 -5.509 0.975
170 HD2 ARG 22 2HD ARG 22 7.431 -6.300 -1.009
171 HD3 ARG 22 1HD ARG 22 5.695 -6.301 -1.305
172 HE ARG 22 HE ARG 22 7.149 -3.955 -2.143
173 HH11 ARG 22 1HH1 ARG 22 5.712 -7.051 -3.118
174 HH12 ARG 22 2HH1 ARG 22 5.767 -6.738 -4.783
175 HH21 ARG 22 1HH2 ARG 22 7.238 -3.504 -4.476
176 HH22 ARG 22 2HH2 ARG 22 6.628 -4.663 -5.566
177 H LEU 23 H LEU 23 5.150 -6.055 2.046
178 HA LEU 23 HA LEU 23 3.323 -6.691 4.005
179 HB2 LEU 23 2HB LEU 23 6.143 -5.676 4.388
180 HB3 LEU 23 1HB LEU 23 5.179 -6.424 5.643
181 HG LEU 23 HG LEU 23 6.161 -7.767 3.129
182 HD11 LEU 23 1HD1 LEU 23 7.589 -9.033 4.656
183 HD12 LEU 23 2HD1 LEU 23 7.010 -8.055 6.003
184 HD13 LEU 23 3HD1 LEU 23 7.945 -7.307 4.709
185 HD21 LEU 23 1HD2 LEU 23 5.330 -9.834 4.172
186 HD22 LEU 23 2HD2 LEU 23 4.023 -8.702 3.840
187 HD23 LEU 23 3HD2 LEU 23 4.634 -8.884 5.486
188 H TRP 24 H TRP 24 4.618 -3.584 3.168
189 HA TRP 24 HA TRP 24 2.671 -2.412 4.928
190 HB2 TRP 24 2HB TRP 24 4.168 -0.542 5.437
191 HB3 TRP 24 1HB TRP 24 5.017 -2.036 5.817
192 HD1 TRP 24 HD TRP 24 5.128 0.974 3.664
193 HE1 TRP 24 1HE TRP 24 7.307 0.981 2.238
194 HE3 TRP 24 3HE TRP 24 6.726 -3.730 4.659
195 HZ2 TRP 24 2HZ TRP 24 9.391 -0.815 1.630
196 HZ3 TRP 24 3HZ TRP 24 8.803 -4.531 3.623
197 HH2 TRP 24 HH TRP 24 10.104 -3.091 2.139
198 H CYS 25 H CYS 25 2.117 -0.058 3.868
199 HA CYS 25 HA CYS 25 2.091 -0.532 1.028
200 HB2 CYS 25 2HB CYS 25 0.633 1.420 2.767
201 HB3 CYS 25 1HB CYS 25 0.736 1.679 1.029
202 H LYS 26 H LYS 26 3.214 0.409 -0.413
203 HA LYS 26 HA LYS 26 5.203 2.380 0.448
204 HB2 LYS 26 2HB LYS 26 6.180 0.261 -0.243
205 HB3 LYS 26 1HB LYS 26 5.255 0.264 -1.726
206 HG2 LYS 26 2HG LYS 26 6.523 2.319 -2.407
207 HG3 LYS 26 1HG LYS 26 7.516 2.104 -0.965
208 HD2 LYS 26 2HD LYS 26 8.190 -0.107 -1.759
209 HD3 LYS 26 1HD LYS 26 7.193 0.100 -3.198
210 HE2 LYS 26 2HE LYS 26 8.553 2.041 -3.856
211 HE3 LYS 26 1HE LYS 26 9.551 1.820 -2.420
212 HZ1 LYS 26 1HZ LYS 26 10.594 0.842 -4.372
213 HZ2 LYS 26 2HZ LYS 26 9.246 -0.132 -4.628
214 HZ3 LYS 26 3HZ LYS 26 10.197 -0.357 -3.257
215 H LYS 27 H LYS 27 5.540 4.102 -1.074
216 HA LYS 27 HA LYS 27 3.119 4.798 -2.495
217 HB2 LYS 27 2HB LYS 27 5.724 6.283 -2.174
218 HB3 LYS 27 1HB LYS 27 4.255 6.945 -2.867
219 HG2 LYS 27 2HG LYS 27 3.095 6.810 -0.786
220 HG3 LYS 27 1HG LYS 27 4.414 5.901 -0.054
221 HD2 LYS 27 2HD LYS 27 5.878 7.842 -0.281
222 HD3 LYS 27 1HD LYS 27 4.561 8.752 -1.026
223 HE2 LYS 27 2HE LYS 27 3.260 8.609 0.996
224 HE3 LYS 27 1HE LYS 27 4.452 7.552 1.734
225 HZ1 LYS 27 1HZ LYS 27 6.035 9.357 1.725
226 HZ2 LYS 27 2HZ LYS 27 4.630 9.857 2.511
227 HZ3 LYS 27 3HZ LYS 27 4.945 10.388 0.956
228 H LYS 28 H LYS 28 2.979 5.089 -4.703
229 HA LYS 28 HA LYS 28 4.929 3.640 -6.327
230 HB2 LYS 28 2HB LYS 28 2.377 3.492 -6.594
231 HB3 LYS 28 1HB LYS 28 2.434 5.129 -7.195
232 HG2 LYS 28 2HG LYS 28 2.256 3.715 -9.078
233 HG3 LYS 28 1HG LYS 28 3.928 4.273 -9.048
234 HD2 LYS 28 2HD LYS 28 4.711 2.190 -8.239
235 HD3 LYS 28 1HD LYS 28 3.083 1.662 -7.813
236 HE2 LYS 28 2HE LYS 28 3.798 0.511 -9.811
237 HE3 LYS 28 1HE LYS 28 2.499 1.625 -10.207
238 HZ1 LYS 28 1HZ LYS 28 4.160 1.771 -11.875
239 HZ2 LYS 28 2HZ LYS 28 5.388 1.957 -10.758
240 HZ3 LYS 28 3HZ LYS 28 4.303 3.205 -10.998
241 H LEU 29 H LEU 29 6.686 4.876 -6.727
242 HA LEU 29 HA LEU 29 6.492 7.746 -6.836
243 HB2 LEU 29 2HB LEU 29 8.868 5.971 -7.440
244 HB3 LEU 29 1HB LEU 29 8.920 7.712 -7.395
245 HG LEU 29 HG LEU 29 8.237 7.498 -4.929
246 HD11 LEU 29 1HD1 LEU 29 8.860 5.419 -3.825
247 HD12 LEU 29 2HD1 LEU 29 9.127 4.664 -5.395
248 HD13 LEU 29 3HD1 LEU 29 7.509 5.194 -4.935
249 HD21 LEU 29 1HD2 LEU 29 10.457 8.171 -5.640
250 HD22 LEU 29 2HD2 LEU 29 10.922 6.483 -5.841
251 HD23 LEU 29 3HD2 LEU 29 10.553 7.110 -4.234
252 H TRP 30 H TRP 30 7.210 5.163 -9.089
253 HA TRP 30 HA TRP 30 6.346 6.897 -11.279
254 HB2 TRP 30 2HB TRP 30 8.745 5.030 -11.356
255 HB3 TRP 30 1HB TRP 30 8.091 5.901 -12.736
256 HD1 TRP 30 HD TRP 30 8.417 8.619 -12.690
257 HE1 TRP 30 1HE TRP 30 10.256 10.052 -11.631
258 HE3 TRP 30 3HE TRP 30 10.339 5.172 -9.454
259 HZ2 TRP 30 2HZ TRP 30 12.282 9.751 -9.664
260 HZ3 TRP 30 3HZ TRP 30 12.227 5.825 -8.028
261 HH2 TRP 30 HH TRP 30 13.176 8.067 -8.136
Start of MODEL 4
1 H1 TYR 1 1HT TYR 1 -11.113 0.545 5.368
2 H2 TYR 1 2HT TYR 1 -10.347 1.812 4.585
3 H3 TYR 1 3HT TYR 1 -9.509 0.406 4.908
4 HA TYR 1 HA TYR 1 -10.828 -0.845 3.404
5 HB2 TYR 1 2HB TYR 1 -12.904 0.567 3.693
6 HB3 TYR 1 1HB TYR 1 -12.133 1.805 2.712
7 HD1 TYR 1 1HD TYR 1 -13.034 -1.817 2.577
8 HD2 TYR 1 2HD TYR 1 -12.583 1.833 0.429
9 HE1 TYR 1 1HE TYR 1 -13.952 -2.886 0.587
10 HE2 TYR 1 2HE TYR 1 -13.494 0.777 -1.566
11 HH TYR 1 HH TYR 1 -15.082 -2.240 -1.460
12 H CYS 2 H CYS 2 -10.191 2.576 2.512
13 HA CYS 2 HA CYS 2 -8.305 1.620 0.559
14 HB2 CYS 2 2HB CYS 2 -9.761 3.725 0.247
15 HB3 CYS 2 1HB CYS 2 -8.716 4.442 1.490
16 H GLN 3 H GLN 3 -6.156 1.950 0.845
17 HA GLN 3 HA GLN 3 -5.524 1.967 3.682
18 HB2 GLN 3 2HB GLN 3 -3.928 0.717 1.461
19 HB3 GLN 3 1HB GLN 3 -3.485 0.688 3.159
20 HG2 GLN 3 2HG GLN 3 -5.919 -0.599 1.926
21 HG3 GLN 3 1HG GLN 3 -4.484 -1.426 2.522
22 HE21 GLN 3 1HE2 GLN 3 -4.175 -1.597 4.761
23 HE22 GLN 3 2HE2 GLN 3 -5.476 -1.305 5.875
24 H LYS 4 H LYS 4 -3.931 3.102 4.536
25 HA LYS 4 HA LYS 4 -3.030 5.426 3.027
26 HB2 LYS 4 2HB LYS 4 -2.763 4.778 5.972
27 HB3 LYS 4 1HB LYS 4 -2.404 6.319 5.210
28 HG2 LYS 4 2HG LYS 4 -4.763 6.584 4.644
29 HG3 LYS 4 1HG LYS 4 -5.117 5.035 5.406
30 HD2 LYS 4 2HD LYS 4 -4.284 5.913 7.552
31 HD3 LYS 4 1HD LYS 4 -3.980 7.472 6.780
32 HE2 LYS 4 2HE LYS 4 -6.361 7.678 6.260
33 HE3 LYS 4 1HE LYS 4 -6.655 6.108 7.003
34 HZ1 LYS 4 1HZ LYS 4 -5.864 7.056 9.115
35 HZ2 LYS 4 2HZ LYS 4 -7.236 7.805 8.534
36 HZ3 LYS 4 3HZ LYS 4 -5.742 8.580 8.390
37 H TRP 5 H TRP 5 -0.742 6.097 3.551
38 HA TRP 5 HA TRP 5 1.175 4.177 2.745
39 HB2 TRP 5 2HB TRP 5 2.831 5.909 3.188
40 HB3 TRP 5 1HB TRP 5 1.406 6.678 2.493
41 HD1 TRP 5 HD TRP 5 -0.239 7.960 4.347
42 HE1 TRP 5 1HE TRP 5 0.373 9.214 6.504
43 HE3 TRP 5 3HE TRP 5 4.449 6.076 5.074
44 HZ2 TRP 5 2HZ TRP 5 2.554 9.385 8.281
45 HZ3 TRP 5 3HZ TRP 5 5.729 6.828 7.026
46 HH2 TRP 5 HH TRP 5 4.798 8.452 8.598
47 H MET 6 H MET 6 -0.119 5.060 5.746
48 HA MET 6 HA MET 6 2.018 4.265 7.388
49 HB2 MET 6 2HB MET 6 0.557 6.045 8.049
50 HB3 MET 6 1HB MET 6 -0.836 4.980 8.010
51 HG2 MET 6 2HG MET 6 0.007 3.735 9.886
52 HG3 MET 6 1HG MET 6 1.491 4.682 9.875
53 HE1 MET 6 1HE MET 6 1.598 7.266 10.517
54 HE2 MET 6 2HE MET 6 0.194 8.230 10.956
55 HE3 MET 6 3HE MET 6 0.375 7.644 9.305
56 H TRP 7 H TRP 7 -0.681 2.749 5.950
57 HA TRP 7 HA TRP 7 -0.606 0.549 7.851
58 HB2 TRP 7 2HB TRP 7 -2.618 1.100 5.655
59 HB3 TRP 7 1HB TRP 7 -2.664 -0.292 6.727
60 HD1 TRP 7 HD TRP 7 -1.876 1.607 9.379
61 HE1 TRP 7 1HE TRP 7 -3.785 2.994 10.410
62 HE3 TRP 7 3HE TRP 7 -5.116 1.539 5.469
63 HZ2 TRP 7 2HZ TRP 7 -6.347 3.925 9.656
64 HZ3 TRP 7 3HZ TRP 7 -7.279 2.694 5.684
65 HH2 TRP 7 HH TRP 7 -7.880 3.856 7.745
66 H THR 8 H THR 8 -1.067 -1.636 6.651
67 HA THR 8 HA THR 8 1.022 -1.856 4.619
68 HB THR 8 HB THR 8 1.571 -4.030 5.695
69 HG1 THR 8 1HG THR 8 0.180 -3.509 8.014
70 HG21 THR 8 1HG2 THR 8 2.587 -3.155 7.752
71 HG22 THR 8 2HG2 THR 8 1.492 -1.778 7.722
72 HG23 THR 8 3HG2 THR 8 2.728 -1.920 6.494
73 H CYS 9 H CYS 9 0.656 -4.187 3.338
74 HA CYS 9 HA CYS 9 -2.236 -4.573 3.365
75 HB2 CYS 9 2HB CYS 9 -2.306 -4.964 1.051
76 HB3 CYS 9 1HB CYS 9 -1.301 -3.536 1.233
77 H ASP 10 H ASP 10 -2.810 -6.739 2.398
78 HA ASP 10 HA ASP 10 -0.973 -8.886 3.188
79 HB2 ASP 10 2HB ASP 10 -3.932 -8.889 3.869
80 HB3 ASP 10 1HB ASP 10 -2.735 -10.067 4.358
81 H SER 11 H SER 11 -3.127 -10.828 2.594
82 HA SER 11 HA SER 11 -3.176 -10.510 -0.249
83 HB2 SER 11 2HB SER 11 -4.536 -12.580 1.484
84 HB3 SER 11 1HB SER 11 -4.385 -12.649 -0.271
85 HG SER 11 HG SER 11 -2.045 -12.250 1.152
86 H GLU 12 H GLU 12 -5.496 -10.132 2.394
87 HA GLU 12 HA GLU 12 -7.570 -9.543 0.475
88 HB2 GLU 12 2HB GLU 12 -7.661 -9.743 3.474
89 HB3 GLU 12 1HB GLU 12 -9.015 -9.125 2.545
90 HG2 GLU 12 2HG GLU 12 -9.396 -11.421 3.072
91 HG3 GLU 12 1HG GLU 12 -9.114 -11.279 1.342
92 H ARG 13 H ARG 13 -6.142 -7.698 3.210
93 HA ARG 13 HA ARG 13 -7.224 -5.232 2.207
94 HB2 ARG 13 2HB ARG 13 -4.834 -5.670 4.022
95 HB3 ARG 13 1HB ARG 13 -5.517 -4.107 3.645
96 HG2 ARG 13 2HG ARG 13 -7.582 -4.758 4.805
97 HG3 ARG 13 1HG ARG 13 -6.851 -6.318 5.201
98 HD2 ARG 13 2HD ARG 13 -5.870 -3.592 6.050
99 HD3 ARG 13 1HD ARG 13 -6.588 -4.827 7.090
100 HE ARG 13 HE ARG 13 -4.544 -6.195 6.192
101 HH11 ARG 13 1HH1 ARG 13 -4.490 -2.849 7.365
102 HH12 ARG 13 2HH1 ARG 13 -2.812 -2.887 7.686
103 HH21 ARG 13 1HH2 ARG 13 -2.335 -6.213 6.638
104 HH22 ARG 13 2HH2 ARG 13 -1.528 -4.826 7.222
105 H LYS 14 H LYS 14 -6.626 -4.512 0.257
106 HA LYS 14 HA LYS 14 -3.813 -4.793 -0.451
107 HB2 LYS 14 2HB LYS 14 -4.507 -4.351 -2.801
108 HB3 LYS 14 1HB LYS 14 -5.166 -5.828 -2.122
109 HG2 LYS 14 2HG LYS 14 -7.294 -4.668 -1.739
110 HG3 LYS 14 1HG LYS 14 -6.616 -3.222 -2.491
111 HD2 LYS 14 2HD LYS 14 -6.315 -4.377 -4.573
112 HD3 LYS 14 1HD LYS 14 -6.798 -5.907 -3.842
113 HE2 LYS 14 2HE LYS 14 -8.654 -5.068 -5.071
114 HE3 LYS 14 1HE LYS 14 -8.963 -4.924 -3.340
115 HZ1 LYS 14 1HZ LYS 14 -9.666 -2.930 -4.519
116 HZ2 LYS 14 2HZ LYS 14 -8.122 -2.692 -5.113
117 HZ3 LYS 14 3HZ LYS 14 -8.417 -2.564 -3.458
118 H CYS 15 H CYS 15 -2.668 -2.990 -1.224
119 HA CYS 15 HA CYS 15 -3.505 -0.536 -0.022
120 HB2 CYS 15 2HB CYS 15 -1.165 -1.052 -1.880
121 HB3 CYS 15 1HB CYS 15 -1.392 0.374 -0.873
122 H CYS 16 H CYS 16 -4.020 1.419 -1.127
123 HA CYS 16 HA CYS 16 -5.578 0.948 -3.438
124 HB2 CYS 16 2HB CYS 16 -4.899 3.490 -1.968
125 HB3 CYS 16 1HB CYS 16 -6.048 3.405 -3.306
126 H LYS 17 H LYS 17 -5.436 2.275 -5.389
127 HA LYS 17 HA LYS 17 -2.976 1.943 -6.659
128 HB2 LYS 17 2HB LYS 17 -5.170 1.959 -7.797
129 HB3 LYS 17 1HB LYS 17 -5.313 3.676 -7.466
130 HG2 LYS 17 2HG LYS 17 -3.451 4.160 -8.906
131 HG3 LYS 17 1HG LYS 17 -3.149 2.437 -9.145
132 HD2 LYS 17 2HD LYS 17 -5.346 2.186 -10.162
133 HD3 LYS 17 1HD LYS 17 -5.662 3.897 -9.911
134 HE2 LYS 17 2HE LYS 17 -3.387 2.826 -11.555
135 HE3 LYS 17 1HE LYS 17 -4.949 3.281 -12.230
136 HZ1 LYS 17 1HZ LYS 17 -3.369 5.090 -12.450
137 HZ2 LYS 17 2HZ LYS 17 -3.079 5.116 -10.794
138 HZ3 LYS 17 3HZ LYS 17 -4.588 5.528 -11.387
139 H GLY 18 H GLY 18 -1.308 3.278 -6.984
140 HA2 GLY 18 2HA GLY 18 -0.290 5.484 -6.934
141 HA3 GLY 18 1HA GLY 18 -1.395 5.889 -5.610
142 H MET 19 H MET 19 -0.979 2.961 -4.890
143 HA MET 19 HA MET 19 1.671 3.051 -3.652
144 HB2 MET 19 2HB MET 19 -0.904 2.053 -2.413
145 HB3 MET 19 1HB MET 19 0.692 1.920 -1.701
146 HG2 MET 19 2HG MET 19 0.822 4.270 -1.446
147 HG3 MET 19 1HG MET 19 -0.727 4.499 -2.278
148 HE1 MET 19 1HE MET 19 -1.722 5.441 1.309
149 HE2 MET 19 2HE MET 19 -1.769 5.875 -0.401
150 HE3 MET 19 3HE MET 19 -0.230 5.831 0.459
151 H VAL 20 H VAL 20 2.460 0.920 -3.362
152 HA VAL 20 HA VAL 20 1.011 -1.047 -4.941
153 HB VAL 20 HB VAL 20 3.157 -2.296 -5.145
154 HG11 VAL 20 1HG1 VAL 20 4.205 -0.800 -6.765
155 HG12 VAL 20 2HG1 VAL 20 3.270 0.550 -6.123
156 HG13 VAL 20 3HG1 VAL 20 2.448 -0.794 -6.917
157 HG21 VAL 20 1HG2 VAL 20 4.384 0.155 -3.863
158 HG22 VAL 20 2HG2 VAL 20 5.279 -1.180 -4.588
159 HG23 VAL 20 3HG2 VAL 20 4.299 -1.455 -3.146
160 H CYS 21 H CYS 21 0.555 -2.987 -4.102
161 HA CYS 21 HA CYS 21 0.256 -3.170 -1.287
162 HB2 CYS 21 2HB CYS 21 -1.266 -4.246 -2.988
163 HB3 CYS 21 1HB CYS 21 0.033 -5.356 -3.384
164 H ARG 22 H ARG 22 1.926 -3.482 -0.009
165 HA ARG 22 HA ARG 22 3.970 -5.399 -0.749
166 HB2 ARG 22 2HB ARG 22 4.277 -2.779 -1.362
167 HB3 ARG 22 1HB ARG 22 4.871 -2.775 0.285
168 HG2 ARG 22 2HG ARG 22 6.721 -3.018 -1.191
169 HG3 ARG 22 1HG ARG 22 6.467 -4.556 -0.360
170 HD2 ARG 22 2HD ARG 22 5.363 -5.471 -2.322
171 HD3 ARG 22 1HD ARG 22 5.471 -3.912 -3.141
172 HE ARG 22 HE ARG 22 8.024 -4.700 -2.363
173 HH11 ARG 22 1HH1 ARG 22 5.563 -5.671 -4.726
174 HH12 ARG 22 2HH1 ARG 22 6.698 -6.319 -5.817
175 HH21 ARG 22 1HH2 ARG 22 9.544 -5.531 -3.895
176 HH22 ARG 22 2HH2 ARG 22 9.009 -6.235 -5.345
177 H LEU 23 H LEU 23 5.682 -4.977 1.335
178 HA LEU 23 HA LEU 23 4.680 -6.180 3.601
179 HB2 LEU 23 2HB LEU 23 6.873 -4.100 3.521
180 HB3 LEU 23 1HB LEU 23 6.636 -5.289 4.778
181 HG LEU 23 HG LEU 23 7.403 -5.896 1.926
182 HD11 LEU 23 1HD1 LEU 23 9.185 -4.774 3.132
183 HD12 LEU 23 2HD1 LEU 23 9.585 -6.471 2.869
184 HD13 LEU 23 3HD1 LEU 23 9.039 -5.928 4.456
185 HD21 LEU 23 1HD2 LEU 23 7.183 -7.701 4.339
186 HD22 LEU 23 2HD2 LEU 23 7.825 -8.168 2.767
187 HD23 LEU 23 3HD2 LEU 23 6.128 -7.721 2.925
188 H TRP 24 H TRP 24 5.106 -2.774 2.953
189 HA TRP 24 HA TRP 24 2.829 -2.246 4.609
190 HB2 TRP 24 2HB TRP 24 3.823 -0.144 5.433
191 HB3 TRP 24 1HB TRP 24 4.905 -1.468 5.835
192 HD1 TRP 24 HD TRP 24 4.572 1.547 3.636
193 HE1 TRP 24 1HE TRP 24 6.913 2.223 2.704
194 HE3 TRP 24 3HE TRP 24 7.238 -2.434 5.290
195 HZ2 TRP 24 2HZ TRP 24 9.527 1.163 2.707
196 HZ3 TRP 24 3HZ TRP 24 9.647 -2.552 4.802
197 HH2 TRP 24 HH TRP 24 10.764 -0.788 3.537
198 H CYS 25 H CYS 25 1.732 -0.145 3.700
199 HA CYS 25 HA CYS 25 1.683 -0.439 0.892
200 HB2 CYS 25 2HB CYS 25 0.374 1.565 2.725
201 HB3 CYS 25 1HB CYS 25 0.134 1.564 0.978
202 H LYS 26 H LYS 26 3.014 0.271 -0.472
203 HA LYS 26 HA LYS 26 4.799 2.430 0.354
204 HB2 LYS 26 2HB LYS 26 5.839 0.237 0.055
205 HB3 LYS 26 1HB LYS 26 5.233 0.167 -1.589
206 HG2 LYS 26 2HG LYS 26 6.626 1.957 -2.260
207 HG3 LYS 26 1HG LYS 26 7.098 2.286 -0.597
208 HD2 LYS 26 2HD LYS 26 8.098 -0.017 -0.523
209 HD3 LYS 26 1HD LYS 26 7.738 -0.161 -2.243
210 HE2 LYS 26 2HE LYS 26 9.524 1.909 -0.970
211 HE3 LYS 26 1HE LYS 26 10.064 0.494 -1.865
212 HZ1 LYS 26 1HZ LYS 26 10.122 2.472 -3.201
213 HZ2 LYS 26 2HZ LYS 26 8.492 2.760 -2.960
214 HZ3 LYS 26 3HZ LYS 26 9.000 1.392 -3.845
215 H LYS 27 H LYS 27 4.683 4.255 -0.732
216 HA LYS 27 HA LYS 27 2.842 4.751 -2.768
217 HB2 LYS 27 2HB LYS 27 5.275 6.284 -1.923
218 HB3 LYS 27 1HB LYS 27 4.210 6.835 -3.201
219 HG2 LYS 27 2HG LYS 27 3.372 6.287 -0.384
220 HG3 LYS 27 1HG LYS 27 3.787 7.887 -1.039
221 HD2 LYS 27 2HD LYS 27 1.947 7.588 -2.695
222 HD3 LYS 27 1HD LYS 27 1.503 6.094 -1.879
223 HE2 LYS 27 2HE LYS 27 0.072 7.870 -1.074
224 HE3 LYS 27 1HE LYS 27 1.169 7.376 0.209
225 HZ1 LYS 27 1HZ LYS 27 1.567 9.724 -1.538
226 HZ2 LYS 27 2HZ LYS 27 2.531 9.297 -0.232
227 HZ3 LYS 27 3HZ LYS 27 0.939 9.794 0.013
228 H LYS 28 H LYS 28 3.004 5.092 -4.818
229 HA LYS 28 HA LYS 28 5.007 3.596 -6.272
230 HB2 LYS 28 2HB LYS 28 2.562 3.698 -6.939
231 HB3 LYS 28 1HB LYS 28 2.808 5.386 -7.350
232 HG2 LYS 28 2HG LYS 28 4.445 4.734 -9.045
233 HG3 LYS 28 1HG LYS 28 4.184 3.038 -8.631
234 HD2 LYS 28 2HD LYS 28 1.801 3.293 -9.239
235 HD3 LYS 28 1HD LYS 28 2.133 4.957 -9.714
236 HE2 LYS 28 2HE LYS 28 2.109 3.563 -11.681
237 HE3 LYS 28 1HE LYS 28 3.744 4.134 -11.383
238 HZ1 LYS 28 1HZ LYS 28 2.745 1.448 -10.589
239 HZ2 LYS 28 2HZ LYS 28 4.336 1.998 -10.477
240 HZ3 LYS 28 3HZ LYS 28 3.620 1.766 -11.983
241 H LEU 29 H LEU 29 6.743 4.512 -7.271
242 HA LEU 29 HA LEU 29 7.619 6.952 -6.312
243 HB2 LEU 29 2HB LEU 29 9.522 6.681 -7.958
244 HB3 LEU 29 1HB LEU 29 9.284 5.400 -6.802
245 HG LEU 29 HG LEU 29 8.072 4.155 -8.682
246 HD11 LEU 29 1HD1 LEU 29 7.754 5.995 -10.204
247 HD12 LEU 29 2HD1 LEU 29 8.733 4.729 -10.945
248 HD13 LEU 29 3HD1 LEU 29 9.498 6.202 -10.347
249 HD21 LEU 29 1HD2 LEU 29 10.171 3.328 -9.600
250 HD22 LEU 29 2HD2 LEU 29 10.242 3.512 -7.847
251 HD23 LEU 29 3HD2 LEU 29 11.019 4.704 -8.892
252 H TRP 30 H TRP 30 5.827 6.323 -9.175
253 HA TRP 30 HA TRP 30 5.276 9.085 -9.438
254 HB2 TRP 30 2HB TRP 30 7.405 8.895 -10.768
255 HB3 TRP 30 1HB TRP 30 6.627 7.676 -11.771
256 HD1 TRP 30 HD TRP 30 5.135 8.528 -13.741
257 HE1 TRP 30 1HE TRP 30 4.541 10.849 -14.673
258 HE3 TRP 30 3HE TRP 30 6.926 11.393 -9.937
259 HZ2 TRP 30 2HZ TRP 30 4.810 13.556 -13.894
260 HZ3 TRP 30 3HZ TRP 30 6.724 13.848 -10.093
261 HH2 TRP 30 HH TRP 30 5.684 14.900 -12.038
Start of MODEL 5
1 H1 TYR 1 1HT TYR 1 -10.813 1.547 4.804
2 H2 TYR 1 2HT TYR 1 -10.912 -0.065 5.305
3 H3 TYR 1 3HT TYR 1 -12.278 0.933 5.390
4 HA TYR 1 HA TYR 1 -12.395 -0.611 3.590
5 HB2 TYR 1 2HB TYR 1 -13.501 1.609 3.439
6 HB3 TYR 1 1HB TYR 1 -12.045 2.280 2.725
7 HD1 TYR 1 1HD TYR 1 -14.683 -0.295 2.161
8 HD2 TYR 1 2HD TYR 1 -11.785 2.279 0.390
9 HE1 TYR 1 1HE TYR 1 -15.543 -0.857 -0.053
10 HE2 TYR 1 2HE TYR 1 -12.638 1.722 -1.827
11 HH TYR 1 HH TYR 1 -15.582 0.110 -2.327
12 H CYS 2 H CYS 2 -9.823 1.812 2.891
13 HA CYS 2 HA CYS 2 -8.406 -0.290 1.435
14 HB2 CYS 2 2HB CYS 2 -9.486 1.358 -0.093
15 HB3 CYS 2 1HB CYS 2 -8.626 2.645 0.749
16 H GLN 3 H GLN 3 -6.070 0.162 1.391
17 HA GLN 3 HA GLN 3 -5.297 1.095 4.023
18 HB2 GLN 3 2HB GLN 3 -3.573 -0.361 2.007
19 HB3 GLN 3 1HB GLN 3 -3.146 0.023 3.657
20 HG2 GLN 3 2HG GLN 3 -5.363 -1.813 2.803
21 HG3 GLN 3 1HG GLN 3 -3.806 -2.289 3.480
22 HE21 GLN 3 1HE2 GLN 3 -3.419 -1.936 5.647
23 HE22 GLN 3 2HE2 GLN 3 -4.707 -1.606 6.764
24 H LYS 4 H LYS 4 -3.934 2.625 4.496
25 HA LYS 4 HA LYS 4 -3.388 4.663 2.476
26 HB2 LYS 4 2HB LYS 4 -2.998 4.767 5.473
27 HB3 LYS 4 1HB LYS 4 -3.080 6.129 4.365
28 HG2 LYS 4 2HG LYS 4 -5.438 5.634 3.925
29 HG3 LYS 4 1HG LYS 4 -5.355 4.260 5.030
30 HD2 LYS 4 2HD LYS 4 -4.715 5.881 6.829
31 HD3 LYS 4 1HD LYS 4 -5.048 7.182 5.686
32 HE2 LYS 4 2HE LYS 4 -7.012 5.106 6.653
33 HE3 LYS 4 1HE LYS 4 -6.955 6.797 7.134
34 HZ1 LYS 4 1HZ LYS 4 -7.505 7.424 4.863
35 HZ2 LYS 4 2HZ LYS 4 -8.659 6.389 5.484
36 HZ3 LYS 4 3HZ LYS 4 -7.545 5.807 4.388
37 H TRP 5 H TRP 5 -1.154 5.749 2.748
38 HA TRP 5 HA TRP 5 0.931 3.869 2.384
39 HB2 TRP 5 2HB TRP 5 2.445 5.717 2.177
40 HB3 TRP 5 1HB TRP 5 0.912 6.263 1.511
41 HD1 TRP 5 HD TRP 5 -0.526 7.972 3.150
42 HE1 TRP 5 1HE TRP 5 0.300 9.733 4.810
43 HE3 TRP 5 3HE TRP 5 4.228 6.275 3.817
44 HZ2 TRP 5 2HZ TRP 5 2.647 10.322 6.237
45 HZ3 TRP 5 3HZ TRP 5 5.700 7.496 5.360
46 HH2 TRP 5 HH TRP 5 4.924 9.470 6.540
47 H MET 6 H MET 6 -0.318 5.360 5.120
48 HA MET 6 HA MET 6 1.918 5.025 6.808
49 HB2 MET 6 2HB MET 6 0.345 6.805 7.212
50 HB3 MET 6 1HB MET 6 -0.967 5.654 7.392
51 HG2 MET 6 2HG MET 6 -0.053 4.835 9.434
52 HG3 MET 6 1HG MET 6 1.403 5.801 9.213
53 HE1 MET 6 1HE MET 6 -2.780 7.625 10.025
54 HE2 MET 6 2HE MET 6 -2.484 5.894 9.840
55 HE3 MET 6 3HE MET 6 -2.304 6.975 8.459
56 H TRP 7 H TRP 7 -0.556 3.051 5.674
57 HA TRP 7 HA TRP 7 -0.362 1.143 7.891
58 HB2 TRP 7 2HB TRP 7 -2.442 1.383 5.698
59 HB3 TRP 7 1HB TRP 7 -2.434 0.120 6.912
60 HD1 TRP 7 HD TRP 7 -1.569 2.902 8.991
61 HE1 TRP 7 1HE TRP 7 -3.659 4.097 9.991
62 HE3 TRP 7 3HE TRP 7 -5.183 0.986 5.940
63 HZ2 TRP 7 2HZ TRP 7 -6.406 4.191 9.540
64 HZ3 TRP 7 3HZ TRP 7 -7.513 1.686 6.289
65 HH2 TRP 7 HH TRP 7 -8.106 3.248 8.062
66 H THR 8 H THR 8 -0.619 -1.212 7.023
67 HA THR 8 HA THR 8 1.259 -1.523 4.814
68 HB THR 8 HB THR 8 1.787 -3.728 5.911
69 HG1 THR 8 1HG THR 8 1.003 -3.855 8.162
70 HG21 THR 8 1HG2 THR 8 2.995 -2.825 7.843
71 HG22 THR 8 2HG2 THR 8 2.009 -1.366 7.787
72 HG23 THR 8 3HG2 THR 8 3.127 -1.716 6.475
73 H CYS 9 H CYS 9 0.702 -3.877 3.505
74 HA CYS 9 HA CYS 9 -2.164 -4.231 3.796
75 HB2 CYS 9 2HB CYS 9 -2.440 -4.329 1.342
76 HB3 CYS 9 1HB CYS 9 -1.964 -2.741 1.928
77 H ASP 10 H ASP 10 -2.804 -6.134 2.138
78 HA ASP 10 HA ASP 10 -0.959 -8.361 2.430
79 HB2 ASP 10 2HB ASP 10 -3.647 -8.166 3.790
80 HB3 ASP 10 1HB ASP 10 -2.888 -9.710 3.448
81 H SER 11 H SER 11 -2.769 -10.360 1.814
82 HA SER 11 HA SER 11 -3.336 -9.881 -0.889
83 HB2 SER 11 2HB SER 11 -4.475 -12.139 -0.668
84 HB3 SER 11 1HB SER 11 -2.778 -12.105 -0.193
85 HG SER 11 HG SER 11 -4.403 -13.158 1.190
86 H GLU 12 H GLU 12 -5.303 -10.051 2.039
87 HA GLU 12 HA GLU 12 -7.647 -9.375 0.497
88 HB2 GLU 12 2HB GLU 12 -7.392 -9.884 3.449
89 HB3 GLU 12 1HB GLU 12 -8.897 -9.610 2.588
90 HG2 GLU 12 2HG GLU 12 -8.409 -11.617 1.212
91 HG3 GLU 12 1HG GLU 12 -7.011 -11.920 2.244
92 H ARG 13 H ARG 13 -5.609 -7.842 2.971
93 HA ARG 13 HA ARG 13 -7.243 -5.493 2.935
94 HB2 ARG 13 2HB ARG 13 -4.389 -5.812 3.911
95 HB3 ARG 13 1HB ARG 13 -5.341 -4.350 4.100
96 HG2 ARG 13 2HG ARG 13 -6.990 -5.707 5.422
97 HG3 ARG 13 1HG ARG 13 -5.830 -7.034 5.369
98 HD2 ARG 13 2HD ARG 13 -5.351 -4.293 6.539
99 HD3 ARG 13 1HD ARG 13 -5.617 -5.777 7.452
100 HE ARG 13 HE ARG 13 -3.465 -6.451 6.020
101 HH11 ARG 13 1HH1 ARG 13 -4.044 -3.512 7.911
102 HH12 ARG 13 2HH1 ARG 13 -2.388 -3.257 8.209
103 HH21 ARG 13 1HH2 ARG 13 -1.323 -6.095 6.415
104 HH22 ARG 13 2HH2 ARG 13 -0.780 -4.711 7.303
105 H LYS 14 H LYS 14 -7.423 -4.206 1.322
106 HA LYS 14 HA LYS 14 -5.620 -4.414 -0.923
107 HB2 LYS 14 2HB LYS 14 -8.223 -2.939 -0.562
108 HB3 LYS 14 1HB LYS 14 -7.300 -2.983 -2.053
109 HG2 LYS 14 2HG LYS 14 -7.643 -5.389 -2.217
110 HG3 LYS 14 1HG LYS 14 -8.506 -5.386 -0.679
111 HD2 LYS 14 2HD LYS 14 -10.086 -5.425 -2.551
112 HD3 LYS 14 1HD LYS 14 -10.227 -3.915 -1.657
113 HE2 LYS 14 2HE LYS 14 -8.824 -2.801 -3.359
114 HE3 LYS 14 1HE LYS 14 -8.732 -4.317 -4.253
115 HZ1 LYS 14 1HZ LYS 14 -10.373 -2.822 -5.147
116 HZ2 LYS 14 2HZ LYS 14 -11.214 -2.786 -3.689
117 HZ3 LYS 14 3HZ LYS 14 -11.125 -4.217 -4.583
118 H CYS 15 H CYS 15 -4.107 -2.988 -1.381
119 HA CYS 15 HA CYS 15 -4.041 -0.510 0.162
120 HB2 CYS 15 2HB CYS 15 -1.986 -2.011 -0.041
121 HB3 CYS 15 1HB CYS 15 -1.956 -1.556 -1.739
122 H CYS 16 H CYS 16 -4.077 1.460 -0.821
123 HA CYS 16 HA CYS 16 -5.679 1.531 -3.148
124 HB2 CYS 16 2HB CYS 16 -4.276 3.770 -1.699
125 HB3 CYS 16 1HB CYS 16 -5.477 3.984 -2.956
126 H LYS 17 H LYS 17 -5.222 2.157 -5.219
127 HA LYS 17 HA LYS 17 -2.622 1.715 -6.208
128 HB2 LYS 17 2HB LYS 17 -5.069 2.931 -7.480
129 HB3 LYS 17 1HB LYS 17 -3.569 2.663 -8.357
130 HG2 LYS 17 2HG LYS 17 -3.709 0.290 -7.969
131 HG3 LYS 17 1HG LYS 17 -5.144 0.509 -6.973
132 HD2 LYS 17 2HD LYS 17 -6.416 1.256 -8.860
133 HD3 LYS 17 1HD LYS 17 -4.974 1.290 -9.876
134 HE2 LYS 17 2HE LYS 17 -6.387 -0.684 -10.293
135 HE3 LYS 17 1HE LYS 17 -4.771 -1.109 -9.750
136 HZ1 LYS 17 1HZ LYS 17 -6.550 -2.418 -8.717
137 HZ2 LYS 17 2HZ LYS 17 -7.150 -1.028 -7.964
138 HZ3 LYS 17 3HZ LYS 17 -5.604 -1.604 -7.589
139 H GLY 18 H GLY 18 -1.085 3.121 -6.950
140 HA2 GLY 18 2HA GLY 18 -0.265 5.374 -7.185
141 HA3 GLY 18 1HA GLY 18 -1.337 5.834 -5.851
142 H MET 19 H MET 19 -0.717 3.069 -4.820
143 HA MET 19 HA MET 19 1.969 3.462 -3.774
144 HB2 MET 19 2HB MET 19 -0.541 2.561 -2.359
145 HB3 MET 19 1HB MET 19 1.066 2.251 -1.718
146 HG2 MET 19 2HG MET 19 1.516 4.520 -1.479
147 HG3 MET 19 1HG MET 19 0.048 5.018 -2.346
148 HE1 MET 19 1HE MET 19 -2.662 4.025 0.302
149 HE2 MET 19 2HE MET 19 -2.082 3.011 -1.013
150 HE3 MET 19 3HE MET 19 -2.362 4.733 -1.284
151 H VAL 20 H VAL 20 2.872 1.401 -3.101
152 HA VAL 20 HA VAL 20 2.089 -0.753 -4.933
153 HB VAL 20 HB VAL 20 4.717 -0.318 -3.460
154 HG11 VAL 20 1HG1 VAL 20 4.302 -2.661 -3.975
155 HG12 VAL 20 2HG1 VAL 20 5.629 -2.028 -4.947
156 HG13 VAL 20 3HG1 VAL 20 4.040 -2.253 -5.672
157 HG21 VAL 20 1HG2 VAL 20 4.401 1.437 -5.114
158 HG22 VAL 20 2HG2 VAL 20 4.056 0.231 -6.353
159 HG23 VAL 20 3HG2 VAL 20 5.666 0.325 -5.637
160 H CYS 21 H CYS 21 1.376 -2.583 -4.039
161 HA CYS 21 HA CYS 21 1.001 -2.580 -1.172
162 HB2 CYS 21 2HB CYS 21 -0.886 -3.124 -2.761
163 HB3 CYS 21 1HB CYS 21 -0.012 -4.588 -3.195
164 H ARG 22 H ARG 22 2.080 -3.843 0.178
165 HA ARG 22 HA ARG 22 3.300 -6.289 -0.499
166 HB2 ARG 22 2HB ARG 22 4.812 -4.246 -1.409
167 HB3 ARG 22 1HB ARG 22 5.298 -4.182 0.277
168 HG2 ARG 22 2HG ARG 22 6.883 -5.466 -0.965
169 HG3 ARG 22 1HG ARG 22 6.006 -6.562 0.102
170 HD2 ARG 22 2HD ARG 22 4.581 -7.240 -1.773
171 HD3 ARG 22 1HD ARG 22 5.441 -6.124 -2.831
172 HE ARG 22 HE ARG 22 7.259 -7.869 -1.625
173 HH11 ARG 22 1HH1 ARG 22 4.730 -7.865 -4.139
174 HH12 ARG 22 2HH1 ARG 22 5.376 -9.208 -4.960
175 HH21 ARG 22 1HH2 ARG 22 8.122 -9.732 -2.831
176 HH22 ARG 22 2HH2 ARG 22 7.297 -10.267 -4.232
177 H LEU 23 H LEU 23 5.253 -6.061 1.595
178 HA LEU 23 HA LEU 23 3.919 -6.639 3.893
179 HB2 LEU 23 2HB LEU 23 6.350 -7.016 3.380
180 HB3 LEU 23 1HB LEU 23 6.653 -5.330 3.676
181 HG LEU 23 HG LEU 23 5.637 -7.226 5.821
182 HD11 LEU 23 1HD1 LEU 23 8.471 -6.420 5.181
183 HD12 LEU 23 2HD1 LEU 23 7.772 -8.028 4.975
184 HD13 LEU 23 3HD1 LEU 23 7.956 -7.347 6.592
185 HD21 LEU 23 1HD2 LEU 23 7.048 -4.553 6.022
186 HD22 LEU 23 2HD2 LEU 23 6.513 -5.550 7.374
187 HD23 LEU 23 3HD2 LEU 23 5.326 -4.817 6.293
188 H TRP 24 H TRP 24 4.905 -3.465 2.684
189 HA TRP 24 HA TRP 24 2.992 -2.323 4.520
190 HB2 TRP 24 2HB TRP 24 4.425 -0.446 5.045
191 HB3 TRP 24 1HB TRP 24 5.369 -1.896 5.344
192 HD1 TRP 24 HD TRP 24 5.234 1.192 3.289
193 HE1 TRP 24 1HE TRP 24 7.420 1.401 1.834
194 HE3 TRP 24 3HE TRP 24 7.175 -3.410 4.110
195 HZ2 TRP 24 2HZ TRP 24 9.613 -0.210 1.172
196 HZ3 TRP 24 3HZ TRP 24 9.306 -4.028 3.040
197 HH2 TRP 24 HH TRP 24 10.492 -2.455 1.607
198 H CYS 25 H CYS 25 2.270 -0.084 3.568
199 HA CYS 25 HA CYS 25 2.141 -0.349 0.700
200 HB2 CYS 25 2HB CYS 25 0.784 1.491 2.664
201 HB3 CYS 25 1HB CYS 25 0.717 1.791 0.932
202 H LYS 26 H LYS 26 3.606 0.426 -0.507
203 HA LYS 26 HA LYS 26 5.358 2.560 0.464
204 HB2 LYS 26 2HB LYS 26 6.525 0.554 -0.182
205 HB3 LYS 26 1HB LYS 26 5.658 0.472 -1.700
206 HG2 LYS 26 2HG LYS 26 6.851 2.408 -2.528
207 HG3 LYS 26 1HG LYS 26 7.651 2.613 -0.967
208 HD2 LYS 26 2HD LYS 26 8.812 0.538 -1.207
209 HD3 LYS 26 1HD LYS 26 7.877 0.120 -2.641
210 HE2 LYS 26 2HE LYS 26 10.153 0.862 -3.179
211 HE3 LYS 26 1HE LYS 26 8.922 1.907 -3.886
212 HZ1 LYS 26 1HZ LYS 26 10.464 2.492 -1.417
213 HZ2 LYS 26 2HZ LYS 26 9.360 3.534 -2.157
214 HZ3 LYS 26 3HZ LYS 26 10.785 3.143 -2.929
215 H LYS 27 H LYS 27 4.976 4.536 -0.293
216 HA LYS 27 HA LYS 27 3.097 4.807 -2.473
217 HB2 LYS 27 2HB LYS 27 3.074 7.214 -1.907
218 HB3 LYS 27 1HB LYS 27 2.617 6.173 -0.572
219 HG2 LYS 27 2HG LYS 27 4.833 6.466 0.416
220 HG3 LYS 27 1HG LYS 27 5.298 7.501 -0.939
221 HD2 LYS 27 2HD LYS 27 3.552 9.082 -0.361
222 HD3 LYS 27 1HD LYS 27 3.007 8.036 0.947
223 HE2 LYS 27 2HE LYS 27 5.147 8.324 2.082
224 HE3 LYS 27 1HE LYS 27 5.720 9.338 0.760
225 HZ1 LYS 27 1HZ LYS 27 4.067 10.967 1.285
226 HZ2 LYS 27 2HZ LYS 27 4.908 10.622 2.697
227 HZ3 LYS 27 3HZ LYS 27 3.362 9.983 2.449
228 H LYS 28 H LYS 28 3.306 5.943 -4.289
229 HA LYS 28 HA LYS 28 5.869 5.855 -5.527
230 HB2 LYS 28 2HB LYS 28 3.207 6.958 -6.422
231 HB3 LYS 28 1HB LYS 28 4.644 6.997 -7.424
232 HG2 LYS 28 2HG LYS 28 3.345 4.493 -6.359
233 HG3 LYS 28 1HG LYS 28 3.123 5.143 -7.985
234 HD2 LYS 28 2HD LYS 28 5.563 4.938 -8.354
235 HD3 LYS 28 1HD LYS 28 5.716 4.189 -6.766
236 HE2 LYS 28 2HE LYS 28 4.266 2.371 -7.471
237 HE3 LYS 28 1HE LYS 28 4.062 3.132 -9.047
238 HZ1 LYS 28 1HZ LYS 28 6.622 2.126 -7.926
239 HZ2 LYS 28 2HZ LYS 28 6.443 2.906 -9.400
240 HZ3 LYS 28 3HZ LYS 28 5.722 1.408 -9.160
241 H LEU 29 H LEU 29 7.069 7.567 -6.262
242 HA LEU 29 HA LEU 29 6.703 10.022 -4.704
243 HB2 LEU 29 2HB LEU 29 9.156 8.922 -6.072
244 HB3 LEU 29 1HB LEU 29 9.100 10.417 -5.165
245 HG LEU 29 HG LEU 29 8.701 7.646 -4.038
246 HD11 LEU 29 1HD1 LEU 29 10.818 8.065 -2.899
247 HD12 LEU 29 2HD1 LEU 29 10.958 9.607 -3.752
248 HD13 LEU 29 3HD1 LEU 29 10.984 8.092 -4.656
249 HD21 LEU 29 1HD2 LEU 29 8.730 8.764 -1.844
250 HD22 LEU 29 2HD2 LEU 29 7.350 9.262 -2.816
251 HD23 LEU 29 3HD2 LEU 29 8.744 10.332 -2.652
252 H TRP 30 H TRP 30 6.041 8.809 -7.576
253 HA TRP 30 HA TRP 30 5.288 9.605 -9.524
254 HB2 TRP 30 2HB TRP 30 5.585 12.332 -8.232
255 HB3 TRP 30 1HB TRP 30 4.872 12.071 -9.819
256 HD1 TRP 30 HD TRP 30 4.181 11.442 -6.095
257 HE1 TRP 30 1HE TRP 30 1.666 11.016 -5.784
258 HE3 TRP 30 3HE TRP 30 2.787 11.290 -11.002
259 HZ2 TRP 30 2HZ TRP 30 -0.623 10.671 -7.413
260 HZ3 TRP 30 3HZ TRP 30 0.412 10.908 -11.544
261 HH2 TRP 30 HH TRP 30 -1.250 10.605 -9.779
Start of MODEL 6
1 H1 TYR 1 1HT TYR 1 -12.848 0.052 3.612
2 H2 TYR 1 2HT TYR 1 -13.174 1.348 2.601
3 H3 TYR 1 3HT TYR 1 -13.579 1.459 4.240
4 HA TYR 1 HA TYR 1 -11.623 2.717 3.761
5 HB2 TYR 1 2HB TYR 1 -10.976 0.142 5.222
6 HB3 TYR 1 1HB TYR 1 -10.051 1.631 5.333
7 HD1 TYR 1 1HD TYR 1 -12.727 -0.272 6.699
8 HD2 TYR 1 2HD TYR 1 -11.292 3.704 6.234
9 HE1 TYR 1 1HE TYR 1 -14.147 0.453 8.554
10 HE2 TYR 1 2HE TYR 1 -12.701 4.436 8.076
11 HH TYR 1 HH TYR 1 -14.752 3.706 9.213
12 H CYS 2 H CYS 2 -9.254 2.462 3.339
13 HA CYS 2 HA CYS 2 -8.502 0.344 1.538
14 HB2 CYS 2 2HB CYS 2 -9.420 2.215 0.108
15 HB3 CYS 2 1HB CYS 2 -8.262 3.296 0.877
16 H GLN 3 H GLN 3 -6.067 0.523 1.321
17 HA GLN 3 HA GLN 3 -5.184 1.112 3.994
18 HB2 GLN 3 2HB GLN 3 -3.586 -0.183 1.793
19 HB3 GLN 3 1HB GLN 3 -3.149 -0.073 3.477
20 HG2 GLN 3 2HG GLN 3 -5.457 -1.626 2.346
21 HG3 GLN 3 1HG GLN 3 -3.949 -2.282 2.983
22 HE21 GLN 3 1HE2 GLN 3 -3.577 -2.197 5.212
23 HE22 GLN 3 2HE2 GLN 3 -4.880 -1.990 6.324
24 H LYS 4 H LYS 4 -3.921 2.627 4.630
25 HA LYS 4 HA LYS 4 -3.134 4.701 2.743
26 HB2 LYS 4 2HB LYS 4 -2.951 4.625 5.753
27 HB3 LYS 4 1HB LYS 4 -2.648 6.022 4.728
28 HG2 LYS 4 2HG LYS 4 -5.010 6.011 4.039
29 HG3 LYS 4 1HG LYS 4 -5.300 4.635 5.106
30 HD2 LYS 4 2HD LYS 4 -4.351 7.376 5.969
31 HD3 LYS 4 1HD LYS 4 -5.989 6.751 6.154
32 HE2 LYS 4 2HE LYS 4 -5.132 4.973 7.619
33 HE3 LYS 4 1HE LYS 4 -3.501 5.599 7.432
34 HZ1 LYS 4 1HZ LYS 4 -4.471 6.346 9.488
35 HZ2 LYS 4 2HZ LYS 4 -5.776 7.021 8.703
36 HZ3 LYS 4 3HZ LYS 4 -4.246 7.668 8.488
37 H TRP 5 H TRP 5 -0.941 5.736 3.345
38 HA TRP 5 HA TRP 5 1.055 3.849 2.680
39 HB2 TRP 5 2HB TRP 5 2.604 5.759 2.784
40 HB3 TRP 5 1HB TRP 5 1.122 6.165 1.924
41 HD1 TRP 5 HD TRP 5 3.032 6.954 5.129
42 HE1 TRP 5 1HE TRP 5 2.022 9.023 6.225
43 HE3 TRP 5 3HE TRP 5 -1.033 7.553 2.088
44 HZ2 TRP 5 2HZ TRP 5 -0.209 10.709 5.850
45 HZ3 TRP 5 3HZ TRP 5 -2.550 9.426 2.529
46 HH2 TRP 5 HH TRP 5 -2.147 10.968 4.359
47 H MET 6 H MET 6 -0.022 5.101 5.721
48 HA MET 6 HA MET 6 2.327 4.282 7.201
49 HB2 MET 6 2HB MET 6 0.853 6.158 7.921
50 HB3 MET 6 1HB MET 6 -0.435 4.997 8.187
51 HG2 MET 6 2HG MET 6 0.975 3.847 9.837
52 HG3 MET 6 1HG MET 6 2.195 5.091 9.593
53 HE1 MET 6 1HE MET 6 -1.319 4.177 10.963
54 HE2 MET 6 2HE MET 6 -1.759 5.411 9.779
55 HE3 MET 6 3HE MET 6 -1.967 5.723 11.499
56 H TRP 7 H TRP 7 -0.482 2.963 6.036
57 HA TRP 7 HA TRP 7 -0.580 0.767 7.923
58 HB2 TRP 7 2HB TRP 7 -2.392 1.492 5.611
59 HB3 TRP 7 1HB TRP 7 -2.566 0.009 6.531
60 HD1 TRP 7 HD TRP 7 -1.691 2.598 8.977
61 HE1 TRP 7 1HE TRP 7 -3.825 3.550 10.129
62 HE3 TRP 7 3HE TRP 7 -5.255 0.733 5.831
63 HZ2 TRP 7 2HZ TRP 7 -6.597 3.512 9.729
64 HZ3 TRP 7 3HZ TRP 7 -7.607 1.243 6.275
65 HH2 TRP 7 HH TRP 7 -8.263 2.600 8.192
66 H THR 8 H THR 8 -1.072 -1.375 6.709
67 HA THR 8 HA THR 8 1.045 -1.731 4.747
68 HB THR 8 HB THR 8 1.614 -3.866 5.933
69 HG1 THR 8 1HG THR 8 -0.393 -2.909 7.715
70 HG21 THR 8 1HG2 THR 8 2.649 -2.896 7.926
71 HG22 THR 8 2HG2 THR 8 1.572 -1.505 7.826
72 HG23 THR 8 3HG2 THR 8 2.796 -1.742 6.593
73 H CYS 9 H CYS 9 0.560 -4.006 3.495
74 HA CYS 9 HA CYS 9 -2.351 -4.231 3.607
75 HB2 CYS 9 2HB CYS 9 -2.437 -4.617 1.244
76 HB3 CYS 9 1HB CYS 9 -1.549 -3.126 1.533
77 H ASP 10 H ASP 10 -2.973 -6.338 2.346
78 HA ASP 10 HA ASP 10 -1.345 -8.606 3.247
79 HB2 ASP 10 2HB ASP 10 -4.340 -8.283 3.749
80 HB3 ASP 10 1HB ASP 10 -3.431 -9.752 4.019
81 H SER 11 H SER 11 -3.032 -10.552 2.391
82 HA SER 11 HA SER 11 -3.161 -10.247 -0.405
83 HB2 SER 11 2HB SER 11 -4.448 -12.510 0.038
84 HB3 SER 11 1HB SER 11 -2.703 -12.402 0.307
85 HG SER 11 HG SER 11 -4.441 -13.129 2.066
86 H GLU 12 H GLU 12 -5.384 -10.059 2.261
87 HA GLU 12 HA GLU 12 -7.711 -9.750 0.589
88 HB2 GLU 12 2HB GLU 12 -8.919 -9.437 2.742
89 HB3 GLU 12 1HB GLU 12 -8.013 -10.941 2.650
90 HG2 GLU 12 2HG GLU 12 -6.292 -10.066 4.053
91 HG3 GLU 12 1HG GLU 12 -7.007 -8.458 4.005
92 H ARG 13 H ARG 13 -5.694 -7.653 2.601
93 HA ARG 13 HA ARG 13 -7.309 -5.358 1.782
94 HB2 ARG 13 2HB ARG 13 -5.069 -5.535 3.808
95 HB3 ARG 13 1HB ARG 13 -5.963 -4.075 3.424
96 HG2 ARG 13 2HG ARG 13 -8.020 -5.174 4.241
97 HG3 ARG 13 1HG ARG 13 -7.049 -6.569 4.714
98 HD2 ARG 13 2HD ARG 13 -6.694 -3.754 5.707
99 HD3 ARG 13 1HD ARG 13 -7.471 -5.057 6.603
100 HE ARG 13 HE ARG 13 -4.951 -5.997 5.977
101 HH11 ARG 13 1HH1 ARG 13 -6.194 -3.222 7.804
102 HH12 ARG 13 2HH1 ARG 13 -4.862 -3.164 8.847
103 HH21 ARG 13 1HH2 ARG 13 -3.150 -5.880 7.354
104 HH22 ARG 13 2HH2 ARG 13 -3.076 -4.700 8.576
105 H LYS 14 H LYS 14 -6.625 -4.344 -0.025
106 HA LYS 14 HA LYS 14 -3.771 -4.518 -0.650
107 HB2 LYS 14 2HB LYS 14 -6.104 -3.945 -2.484
108 HB3 LYS 14 1HB LYS 14 -4.420 -3.951 -2.977
109 HG2 LYS 14 2HG LYS 14 -4.264 -6.334 -2.338
110 HG3 LYS 14 1HG LYS 14 -5.982 -6.314 -1.946
111 HD2 LYS 14 2HD LYS 14 -4.820 -5.694 -4.669
112 HD3 LYS 14 1HD LYS 14 -5.494 -7.249 -4.191
113 HE2 LYS 14 2HE LYS 14 -7.012 -4.636 -4.253
114 HE3 LYS 14 1HE LYS 14 -7.067 -5.879 -5.499
115 HZ1 LYS 14 1HZ LYS 14 -7.961 -6.209 -2.679
116 HZ2 LYS 14 2HZ LYS 14 -7.935 -7.421 -3.823
117 HZ3 LYS 14 3HZ LYS 14 -8.947 -6.098 -4.036
118 H CYS 15 H CYS 15 -2.686 -2.644 -1.398
119 HA CYS 15 HA CYS 15 -3.488 -0.241 -0.046
120 HB2 CYS 15 2HB CYS 15 -1.226 -0.648 -2.017
121 HB3 CYS 15 1HB CYS 15 -1.394 0.677 -0.870
122 H CYS 16 H CYS 16 -3.880 1.807 -1.078
123 HA CYS 16 HA CYS 16 -5.762 1.614 -3.144
124 HB2 CYS 16 2HB CYS 16 -4.266 4.082 -2.259
125 HB3 CYS 16 1HB CYS 16 -5.812 4.029 -3.094
126 H LYS 17 H LYS 17 -5.667 2.742 -5.249
127 HA LYS 17 HA LYS 17 -3.431 2.012 -6.784
128 HB2 LYS 17 2HB LYS 17 -5.668 3.951 -7.435
129 HB3 LYS 17 1HB LYS 17 -4.489 3.342 -8.590
130 HG2 LYS 17 2HG LYS 17 -5.294 1.079 -8.252
131 HG3 LYS 17 1HG LYS 17 -6.463 1.659 -7.071
132 HD2 LYS 17 2HD LYS 17 -7.563 1.311 -9.198
133 HD3 LYS 17 1HD LYS 17 -7.527 3.031 -8.834
134 HE2 LYS 17 2HE LYS 17 -7.016 2.654 -11.179
135 HE3 LYS 17 1HE LYS 17 -5.599 3.289 -10.355
136 HZ1 LYS 17 1HZ LYS 17 -4.720 1.022 -10.245
137 HZ2 LYS 17 2HZ LYS 17 -4.986 1.516 -11.808
138 HZ3 LYS 17 3HZ LYS 17 -6.072 0.445 -11.083
139 H GLY 18 H GLY 18 -1.622 3.033 -7.221
140 HA2 GLY 18 2HA GLY 18 -0.319 5.072 -7.506
141 HA3 GLY 18 1HA GLY 18 -1.295 5.801 -6.229
142 H MET 19 H MET 19 -1.038 2.881 -5.141
143 HA MET 19 HA MET 19 1.614 3.150 -3.910
144 HB2 MET 19 2HB MET 19 -0.973 2.197 -2.666
145 HB3 MET 19 1HB MET 19 0.605 2.022 -1.922
146 HG2 MET 19 2HG MET 19 0.839 4.356 -1.720
147 HG3 MET 19 1HG MET 19 -0.663 4.661 -2.616
148 HE1 MET 19 1HE MET 19 -1.723 6.155 -0.738
149 HE2 MET 19 2HE MET 19 -0.184 6.049 0.115
150 HE3 MET 19 3HE MET 19 -1.695 5.742 0.977
151 H VAL 20 H VAL 20 2.516 1.094 -3.338
152 HA VAL 20 HA VAL 20 1.409 -1.083 -4.943
153 HB VAL 20 HB VAL 20 3.732 -0.440 -5.588
154 HG11 VAL 20 1HG1 VAL 20 5.624 -0.883 -4.106
155 HG12 VAL 20 2HG1 VAL 20 4.498 -1.237 -2.795
156 HG13 VAL 20 3HG1 VAL 20 4.563 0.384 -3.487
157 HG21 VAL 20 1HG2 VAL 20 3.055 -2.741 -5.937
158 HG22 VAL 20 2HG2 VAL 20 3.542 -3.159 -4.295
159 HG23 VAL 20 3HG2 VAL 20 4.758 -2.677 -5.481
160 H CYS 21 H CYS 21 0.847 -2.928 -4.001
161 HA CYS 21 HA CYS 21 0.517 -2.912 -1.166
162 HB2 CYS 21 2HB CYS 21 -1.180 -3.854 -2.753
163 HB3 CYS 21 1HB CYS 21 -0.033 -5.114 -3.181
164 H ARG 22 H ARG 22 2.086 -3.426 0.136
165 HA ARG 22 HA ARG 22 3.901 -5.590 -0.502
166 HB2 ARG 22 2HB ARG 22 4.725 -3.169 -1.180
167 HB3 ARG 22 1HB ARG 22 4.924 -2.948 0.543
168 HG2 ARG 22 2HG ARG 22 7.052 -3.523 -0.158
169 HG3 ARG 22 1HG ARG 22 6.427 -5.071 0.395
170 HD2 ARG 22 2HD ARG 22 6.517 -4.114 -2.470
171 HD3 ARG 22 1HD ARG 22 7.611 -5.276 -1.735
172 HE ARG 22 HE ARG 22 5.148 -6.354 -1.365
173 HH11 ARG 22 1HH1 ARG 22 6.952 -5.274 -4.209
174 HH12 ARG 22 2HH1 ARG 22 6.226 -6.382 -5.269
175 HH21 ARG 22 1HH2 ARG 22 4.098 -7.829 -2.830
176 HH22 ARG 22 2HH2 ARG 22 4.557 -7.873 -4.469
177 H LEU 23 H LEU 23 5.454 -5.451 1.721
178 HA LEU 23 HA LEU 23 4.008 -6.220 3.937
179 HB2 LEU 23 2HB LEU 23 6.733 -4.937 3.893
180 HB3 LEU 23 1HB LEU 23 6.073 -5.886 5.208
181 HG LEU 23 HG LEU 23 6.754 -6.908 2.455
182 HD11 LEU 23 1HD1 LEU 23 8.075 -7.338 5.120
183 HD12 LEU 23 2HD1 LEU 23 8.710 -6.400 3.767
184 HD13 LEU 23 3HD1 LEU 23 8.503 -8.144 3.613
185 HD21 LEU 23 1HD2 LEU 23 5.714 -8.375 4.884
186 HD22 LEU 23 2HD2 LEU 23 6.297 -9.134 3.404
187 HD23 LEU 23 3HD2 LEU 23 4.852 -8.128 3.364
188 H TRP 24 H TRP 24 4.666 -3.049 2.776
189 HA TRP 24 HA TRP 24 2.843 -2.069 4.708
190 HB2 TRP 24 2HB TRP 24 4.139 -0.127 5.329
191 HB3 TRP 24 1HB TRP 24 5.219 -1.499 5.526
192 HD1 TRP 24 HD TRP 24 4.649 1.577 3.559
193 HE1 TRP 24 1HE TRP 24 6.769 2.133 2.094
194 HE3 TRP 24 3HE TRP 24 7.245 -2.689 4.351
195 HZ2 TRP 24 2HZ TRP 24 9.204 0.849 1.441
196 HZ3 TRP 24 3HZ TRP 24 9.446 -2.981 3.299
197 HH2 TRP 24 HH TRP 24 10.401 -1.241 1.874
198 H CYS 25 H CYS 25 1.929 0.097 3.726
199 HA CYS 25 HA CYS 25 1.825 -0.314 0.887
200 HB2 CYS 25 2HB CYS 25 0.381 1.612 2.691
201 HB3 CYS 25 1HB CYS 25 0.195 1.613 0.937
202 H LYS 26 H LYS 26 3.145 0.475 -0.430
203 HA LYS 26 HA LYS 26 4.763 2.770 0.390
204 HB2 LYS 26 2HB LYS 26 6.065 0.764 0.120
205 HB3 LYS 26 1HB LYS 26 5.350 0.453 -1.450
206 HG2 LYS 26 2HG LYS 26 6.447 2.415 -2.355
207 HG3 LYS 26 1HG LYS 26 7.127 2.781 -0.774
208 HD2 LYS 26 2HD LYS 26 8.363 0.678 -0.807
209 HD3 LYS 26 1HD LYS 26 7.631 0.265 -2.358
210 HE2 LYS 26 2HE LYS 26 8.692 2.202 -3.383
211 HE3 LYS 26 1HE LYS 26 9.412 2.636 -1.835
212 HZ1 LYS 26 1HZ LYS 26 10.943 1.424 -3.321
213 HZ2 LYS 26 2HZ LYS 26 9.917 0.084 -3.251
214 HZ3 LYS 26 3HZ LYS 26 10.679 0.622 -1.863
215 H LYS 27 H LYS 27 4.764 4.522 -0.868
216 HA LYS 27 HA LYS 27 2.769 4.711 -2.905
217 HB2 LYS 27 2HB LYS 27 3.532 7.040 -3.143
218 HB3 LYS 27 1HB LYS 27 3.142 6.607 -1.487
219 HG2 LYS 27 2HG LYS 27 5.511 6.415 -0.972
220 HG3 LYS 27 1HG LYS 27 5.916 6.777 -2.651
221 HD2 LYS 27 2HD LYS 27 4.869 8.976 -2.432
222 HD3 LYS 27 1HD LYS 27 4.450 8.616 -0.757
223 HE2 LYS 27 2HE LYS 27 6.813 8.397 -0.211
224 HE3 LYS 27 1HE LYS 27 7.232 8.740 -1.888
225 HZ1 LYS 27 1HZ LYS 27 6.167 10.921 -1.622
226 HZ2 LYS 27 2HZ LYS 27 7.483 10.672 -0.591
227 HZ3 LYS 27 3HZ LYS 27 5.923 10.588 0.028
228 H LYS 28 H LYS 28 3.076 5.112 -5.074
229 HA LYS 28 HA LYS 28 5.567 4.048 -6.117
230 HB2 LYS 28 2HB LYS 28 3.258 3.309 -6.957
231 HB3 LYS 28 1HB LYS 28 3.095 4.904 -7.654
232 HG2 LYS 28 2HG LYS 28 3.764 3.346 -9.363
233 HG3 LYS 28 1HG LYS 28 5.077 4.483 -9.062
234 HD2 LYS 28 2HD LYS 28 6.001 2.262 -9.287
235 HD3 LYS 28 1HD LYS 28 6.167 2.769 -7.614
236 HE2 LYS 28 2HE LYS 28 5.464 0.467 -7.660
237 HE3 LYS 28 1HE LYS 28 4.120 1.433 -7.070
238 HZ1 LYS 28 1HZ LYS 28 4.444 0.349 -9.815
239 HZ2 LYS 28 2HZ LYS 28 3.146 1.316 -9.331
240 HZ3 LYS 28 3HZ LYS 28 3.363 -0.199 -8.653
241 H LEU 29 H LEU 29 7.128 5.344 -6.889
242 HA LEU 29 HA LEU 29 6.697 8.195 -6.697
243 HB2 LEU 29 2HB LEU 29 9.200 6.584 -7.232
244 HB3 LEU 29 1HB LEU 29 9.164 8.327 -7.216
245 HG LEU 29 HG LEU 29 10.095 7.601 -5.165
246 HD11 LEU 29 1HD1 LEU 29 8.631 8.562 -3.515
247 HD12 LEU 29 2HD1 LEU 29 7.275 8.455 -4.633
248 HD13 LEU 29 3HD1 LEU 29 8.642 9.509 -5.002
249 HD21 LEU 29 1HD2 LEU 29 9.271 5.312 -5.095
250 HD22 LEU 29 2HD2 LEU 29 7.645 5.891 -4.737
251 HD23 LEU 29 3HD2 LEU 29 8.945 6.135 -3.569
252 H TRP 30 H TRP 30 7.200 5.763 -9.101
253 HA TRP 30 HA TRP 30 6.749 7.800 -11.144
254 HB2 TRP 30 2HB TRP 30 8.681 5.475 -11.320
255 HB3 TRP 30 1HB TRP 30 8.257 6.538 -12.656
256 HD1 TRP 30 HD TRP 30 10.450 6.336 -9.571
257 HE1 TRP 30 1HE TRP 30 12.019 8.387 -9.507
258 HE3 TRP 30 3HE TRP 30 8.375 9.069 -13.355
259 HZ2 TRP 30 2HZ TRP 30 12.316 10.837 -10.870
260 HZ3 TRP 30 3HZ TRP 30 9.358 11.252 -13.909
261 HH2 TRP 30 HH TRP 30 11.288 12.111 -12.687
Start of MODEL 7
1 H1 TYR 1 1HT TYR 1 -13.031 0.969 4.407
2 H2 TYR 1 2HT TYR 1 -11.455 1.568 4.394
3 H3 TYR 1 3HT TYR 1 -11.765 -0.016 3.933
4 HA TYR 1 HA TYR 1 -12.996 0.648 2.038
5 HB2 TYR 1 2HB TYR 1 -12.220 3.469 2.837
6 HB3 TYR 1 1HB TYR 1 -12.963 3.011 1.320
7 HD1 TYR 1 1HD TYR 1 -13.510 3.766 4.822
8 HD2 TYR 1 2HD TYR 1 -15.331 2.247 1.289
9 HE1 TYR 1 1HE TYR 1 -15.710 4.157 5.801
10 HE2 TYR 1 2HE TYR 1 -17.546 2.634 2.264
11 HH TYR 1 HH TYR 1 -18.041 4.554 4.940
12 H CYS 2 H CYS 2 -10.101 2.494 3.090
13 HA CYS 2 HA CYS 2 -8.698 1.391 0.793
14 HB2 CYS 2 2HB CYS 2 -9.530 3.627 0.202
15 HB3 CYS 2 1HB CYS 2 -8.820 4.281 1.672
16 H GLN 3 H GLN 3 -6.383 1.635 1.077
17 HA GLN 3 HA GLN 3 -5.589 1.530 3.898
18 HB2 GLN 3 2HB GLN 3 -4.227 0.290 1.504
19 HB3 GLN 3 1HB GLN 3 -3.581 0.273 3.129
20 HG2 GLN 3 2HG GLN 3 -6.099 -1.090 2.201
21 HG3 GLN 3 1HG GLN 3 -4.561 -1.865 2.573
22 HE21 GLN 3 1HE2 GLN 3 -3.890 -1.991 4.774
23 HE22 GLN 3 2HE2 GLN 3 -5.039 -1.834 6.034
24 H LYS 4 H LYS 4 -4.107 2.971 4.546
25 HA LYS 4 HA LYS 4 -3.197 4.922 2.602
26 HB2 LYS 4 2HB LYS 4 -2.965 4.870 5.605
27 HB3 LYS 4 1HB LYS 4 -2.353 6.157 4.580
28 HG2 LYS 4 2HG LYS 4 -4.659 6.573 3.820
29 HG3 LYS 4 1HG LYS 4 -5.225 5.364 4.980
30 HD2 LYS 4 2HD LYS 4 -4.235 6.676 6.800
31 HD3 LYS 4 1HD LYS 4 -3.685 7.877 5.632
32 HE2 LYS 4 2HE LYS 4 -6.051 8.253 4.985
33 HE3 LYS 4 1HE LYS 4 -6.531 7.128 6.255
34 HZ1 LYS 4 1HZ LYS 4 -5.055 9.663 6.656
35 HZ2 LYS 4 2HZ LYS 4 -5.504 8.602 7.883
36 HZ3 LYS 4 3HZ LYS 4 -6.683 9.416 6.995
37 H TRP 5 H TRP 5 -1.024 5.650 2.724
38 HA TRP 5 HA TRP 5 0.922 3.674 2.293
39 HB2 TRP 5 2HB TRP 5 2.486 5.581 2.202
40 HB3 TRP 5 1HB TRP 5 1.017 5.902 1.280
41 HD1 TRP 5 HD TRP 5 3.040 7.174 4.211
42 HE1 TRP 5 1HE TRP 5 1.942 9.295 5.171
43 HE3 TRP 5 3HE TRP 5 -1.369 7.108 1.590
44 HZ2 TRP 5 2HZ TRP 5 -0.447 10.734 4.866
45 HZ3 TRP 5 3HZ TRP 5 -2.988 8.894 2.004
46 HH2 TRP 5 HH TRP 5 -2.527 10.667 3.601
47 H MET 6 H MET 6 -0.077 5.386 5.093
48 HA MET 6 HA MET 6 2.211 4.821 6.725
49 HB2 MET 6 2HB MET 6 0.879 5.749 8.562
50 HB3 MET 6 1HB MET 6 0.842 6.806 7.158
51 HG2 MET 6 2HG MET 6 -1.368 5.915 6.581
52 HG3 MET 6 1HG MET 6 -1.331 4.910 8.025
53 HE1 MET 6 1HE MET 6 0.037 6.953 10.135
54 HE2 MET 6 2HE MET 6 -1.340 5.915 10.511
55 HE3 MET 6 3HE MET 6 -1.413 7.641 10.863
56 H TRP 7 H TRP 7 -0.336 2.956 5.620
57 HA TRP 7 HA TRP 7 -0.201 1.196 7.940
58 HB2 TRP 7 2HB TRP 7 -2.333 1.311 5.778
59 HB3 TRP 7 1HB TRP 7 -2.334 0.215 7.149
60 HD1 TRP 7 HD TRP 7 -1.433 2.813 9.155
61 HE1 TRP 7 1HE TRP 7 -3.353 4.375 9.889
62 HE3 TRP 7 3HE TRP 7 -4.897 1.512 5.684
63 HZ2 TRP 7 2HZ TRP 7 -6.002 4.953 9.097
64 HZ3 TRP 7 3HZ TRP 7 -7.112 2.607 5.731
65 HH2 TRP 7 HH TRP 7 -7.640 4.288 7.418
66 H THR 8 H THR 8 -0.991 -1.127 6.750
67 HA THR 8 HA THR 8 1.135 -1.536 4.802
68 HB THR 8 HB THR 8 1.547 -3.746 5.921
69 HG1 THR 8 1HG THR 8 -0.273 -2.711 7.865
70 HG21 THR 8 1HG2 THR 8 2.921 -1.774 6.577
71 HG22 THR 8 2HG2 THR 8 2.681 -2.880 7.924
72 HG23 THR 8 3HG2 THR 8 1.740 -1.394 7.826
73 H CYS 9 H CYS 9 0.626 -3.909 3.541
74 HA CYS 9 HA CYS 9 -2.195 -4.394 3.752
75 HB2 CYS 9 2HB CYS 9 -2.520 -4.374 1.323
76 HB3 CYS 9 1HB CYS 9 -2.050 -2.797 1.934
77 H ASP 10 H ASP 10 -2.643 -6.296 1.990
78 HA ASP 10 HA ASP 10 -0.628 -8.325 2.005
79 HB2 ASP 10 2HB ASP 10 -1.477 -8.326 4.396
80 HB3 ASP 10 1HB ASP 10 -3.093 -8.618 3.774
81 H SER 11 H SER 11 -2.547 -10.468 1.678
82 HA SER 11 HA SER 11 -3.574 -9.806 -0.900
83 HB2 SER 11 2HB SER 11 -3.915 -12.315 0.752
84 HB3 SER 11 1HB SER 11 -4.107 -12.153 -0.997
85 HG SER 11 HG SER 11 -2.028 -13.010 -0.151
86 H GLU 12 H GLU 12 -4.730 -10.163 2.377
87 HA GLU 12 HA GLU 12 -7.483 -10.108 1.589
88 HB2 GLU 12 2HB GLU 12 -7.990 -9.977 4.027
89 HB3 GLU 12 1HB GLU 12 -6.971 -11.335 3.601
90 HG2 GLU 12 2HG GLU 12 -5.018 -10.146 4.437
91 HG3 GLU 12 1HG GLU 12 -6.028 -8.752 4.810
92 H ARG 13 H ARG 13 -5.284 -7.744 3.102
93 HA ARG 13 HA ARG 13 -7.230 -5.674 2.420
94 HB2 ARG 13 2HB ARG 13 -4.717 -5.566 4.068
95 HB3 ARG 13 1HB ARG 13 -5.588 -4.129 3.578
96 HG2 ARG 13 2HG ARG 13 -6.674 -6.355 5.236
97 HG3 ARG 13 1HG ARG 13 -6.043 -4.834 5.891
98 HD2 ARG 13 2HD ARG 13 -8.404 -4.565 5.855
99 HD3 ARG 13 1HD ARG 13 -7.838 -3.713 4.421
100 HE ARG 13 HE ARG 13 -8.525 -6.463 4.012
101 HH11 ARG 13 1HH1 ARG 13 -9.795 -3.138 3.891
102 HH12 ARG 13 2HH1 ARG 13 -11.091 -3.525 2.885
103 HH21 ARG 13 1HH2 ARG 13 -10.247 -6.969 2.617
104 HH22 ARG 13 2HH2 ARG 13 -11.372 -5.789 2.117
105 H LYS 14 H LYS 14 -7.057 -4.964 0.502
106 HA LYS 14 HA LYS 14 -4.483 -5.013 -0.846
107 HB2 LYS 14 2HB LYS 14 -7.229 -4.321 -1.870
108 HB3 LYS 14 1HB LYS 14 -5.767 -4.222 -2.840
109 HG2 LYS 14 2HG LYS 14 -6.745 -6.702 -1.500
110 HG3 LYS 14 1HG LYS 14 -7.070 -6.287 -3.199
111 HD2 LYS 14 2HD LYS 14 -4.638 -6.274 -3.608
112 HD3 LYS 14 1HD LYS 14 -4.360 -6.713 -1.924
113 HE2 LYS 14 2HE LYS 14 -4.196 -8.656 -3.384
114 HE3 LYS 14 1HE LYS 14 -5.540 -8.813 -2.258
115 HZ1 LYS 14 1HZ LYS 14 -6.108 -9.511 -4.498
116 HZ2 LYS 14 2HZ LYS 14 -5.793 -7.966 -5.097
117 HZ3 LYS 14 3HZ LYS 14 -7.059 -8.217 -4.021
118 H CYS 15 H CYS 15 -3.388 -3.359 -1.396
119 HA CYS 15 HA CYS 15 -4.013 -0.908 0.003
120 HB2 CYS 15 2HB CYS 15 -1.660 -1.934 -0.123
121 HB3 CYS 15 1HB CYS 15 -1.606 -1.321 -1.768
122 H CYS 16 H CYS 16 -3.981 1.152 -1.082
123 HA CYS 16 HA CYS 16 -5.628 0.968 -3.423
124 HB2 CYS 16 2HB CYS 16 -4.770 3.352 -1.810
125 HB3 CYS 16 1HB CYS 16 -6.078 3.300 -2.992
126 H LYS 17 H LYS 17 -5.303 2.312 -5.258
127 HA LYS 17 HA LYS 17 -2.733 2.060 -6.346
128 HB2 LYS 17 2HB LYS 17 -5.090 3.682 -7.320
129 HB3 LYS 17 1HB LYS 17 -3.661 3.299 -8.276
130 HG2 LYS 17 2HG LYS 17 -4.170 0.897 -8.040
131 HG3 LYS 17 1HG LYS 17 -5.627 1.316 -7.151
132 HD2 LYS 17 2HD LYS 17 -5.025 2.107 -9.998
133 HD3 LYS 17 1HD LYS 17 -6.078 0.780 -9.515
134 HE2 LYS 17 2HE LYS 17 -7.516 2.431 -8.328
135 HE3 LYS 17 1HE LYS 17 -6.488 3.716 -8.958
136 HZ1 LYS 17 1HZ LYS 17 -7.072 3.042 -11.194
137 HZ2 LYS 17 2HZ LYS 17 -8.468 3.394 -10.328
138 HZ3 LYS 17 3HZ LYS 17 -8.027 1.798 -10.608
139 H GLY 18 H GLY 18 -1.198 3.568 -6.830
140 HA2 GLY 18 2HA GLY 18 -0.336 5.810 -6.698
141 HA3 GLY 18 1HA GLY 18 -1.329 6.042 -5.251
142 H MET 19 H MET 19 -0.789 3.218 -4.497
143 HA MET 19 HA MET 19 1.996 3.446 -3.675
144 HB2 MET 19 2HB MET 19 -0.331 2.333 -2.075
145 HB3 MET 19 1HB MET 19 1.350 2.102 -1.651
146 HG2 MET 19 2HG MET 19 0.630 3.839 -0.258
147 HG3 MET 19 1HG MET 19 1.518 4.625 -1.542
148 HE1 MET 19 1HE MET 19 -2.170 3.187 -1.676
149 HE2 MET 19 2HE MET 19 -3.070 4.630 -1.217
150 HE3 MET 19 3HE MET 19 -1.997 3.856 -0.053
151 H VAL 20 H VAL 20 2.837 1.299 -3.124
152 HA VAL 20 HA VAL 20 1.883 -0.732 -5.018
153 HB VAL 20 HB VAL 20 4.535 -0.609 -3.543
154 HG11 VAL 20 1HG1 VAL 20 3.658 -2.301 -5.872
155 HG12 VAL 20 2HG1 VAL 20 3.953 -2.845 -4.222
156 HG13 VAL 20 3HG1 VAL 20 5.291 -2.255 -5.208
157 HG21 VAL 20 1HG2 VAL 20 4.435 1.297 -5.013
158 HG22 VAL 20 2HG2 VAL 20 3.936 0.277 -6.363
159 HG23 VAL 20 3HG2 VAL 20 5.556 0.108 -5.680
160 H CYS 21 H CYS 21 1.082 -2.580 -4.142
161 HA CYS 21 HA CYS 21 0.772 -2.611 -1.292
162 HB2 CYS 21 2HB CYS 21 -1.017 -3.359 -2.989
163 HB3 CYS 21 1HB CYS 21 -0.042 -4.814 -3.182
164 H ARG 22 H ARG 22 1.785 -3.926 0.102
165 HA ARG 22 HA ARG 22 3.563 -5.995 -0.630
166 HB2 ARG 22 2HB ARG 22 4.690 -3.746 -1.312
167 HB3 ARG 22 1HB ARG 22 4.761 -3.406 0.403
168 HG2 ARG 22 2HG ARG 22 6.882 -4.191 -0.393
169 HG3 ARG 22 1HG ARG 22 6.208 -5.388 0.705
170 HD2 ARG 22 2HD ARG 22 5.491 -6.750 -1.173
171 HD3 ARG 22 1HD ARG 22 6.019 -5.504 -2.302
172 HE ARG 22 HE ARG 22 8.217 -6.083 -0.831
173 HH11 ARG 22 1HH1 ARG 22 6.032 -8.068 -2.764
174 HH12 ARG 22 2HH1 ARG 22 7.248 -9.121 -3.322
175 HH21 ARG 22 1HH2 ARG 22 9.902 -7.532 -1.602
176 HH22 ARG 22 2HH2 ARG 22 9.504 -8.790 -2.660
177 H LEU 23 H LEU 23 4.991 -6.161 1.631
178 HA LEU 23 HA LEU 23 3.439 -6.724 3.791
179 HB2 LEU 23 2HB LEU 23 5.789 -7.343 3.615
180 HB3 LEU 23 1HB LEU 23 6.277 -5.675 3.783
181 HG LEU 23 HG LEU 23 5.376 -5.695 6.107
182 HD11 LEU 23 1HD1 LEU 23 5.012 -8.643 5.607
183 HD12 LEU 23 2HD1 LEU 23 3.729 -7.464 5.885
184 HD13 LEU 23 3HD1 LEU 23 4.877 -7.838 7.169
185 HD21 LEU 23 1HD2 LEU 23 7.192 -7.038 7.054
186 HD22 LEU 23 2HD2 LEU 23 7.744 -6.070 5.687
187 HD23 LEU 23 3HD2 LEU 23 7.447 -7.797 5.482
188 H TRP 24 H TRP 24 4.615 -3.587 2.787
189 HA TRP 24 HA TRP 24 2.779 -2.393 4.654
190 HB2 TRP 24 2HB TRP 24 4.319 -0.572 5.175
191 HB3 TRP 24 1HB TRP 24 5.129 -2.089 5.533
192 HD1 TRP 24 HD TRP 24 5.325 0.960 3.459
193 HE1 TRP 24 1HE TRP 24 7.546 0.969 2.060
194 HE3 TRP 24 3HE TRP 24 6.814 -3.794 4.338
195 HZ2 TRP 24 2HZ TRP 24 9.604 -0.859 1.444
196 HZ3 TRP 24 3HZ TRP 24 8.905 -4.620 3.318
197 HH2 TRP 24 HH TRP 24 10.264 -3.172 1.903
198 H CYS 25 H CYS 25 2.092 -0.142 3.714
199 HA CYS 25 HA CYS 25 1.966 -0.413 0.858
200 HB2 CYS 25 2HB CYS 25 0.732 1.533 2.792
201 HB3 CYS 25 1HB CYS 25 0.682 1.818 1.055
202 H LYS 26 H LYS 26 3.475 0.218 -0.377
203 HA LYS 26 HA LYS 26 5.387 2.214 0.537
204 HB2 LYS 26 2HB LYS 26 6.245 0.086 -0.285
205 HB3 LYS 26 1HB LYS 26 5.428 0.327 -1.821
206 HG2 LYS 26 2HG LYS 26 6.845 2.324 -2.212
207 HG3 LYS 26 1HG LYS 26 7.705 1.966 -0.716
208 HD2 LYS 26 2HD LYS 26 7.528 0.167 -3.135
209 HD3 LYS 26 1HD LYS 26 8.924 1.140 -2.677
210 HE2 LYS 26 2HE LYS 26 9.059 -0.133 -0.553
211 HE3 LYS 26 1HE LYS 26 7.728 -1.145 -1.107
212 HZ1 LYS 26 1HZ LYS 26 9.864 -2.175 -1.496
213 HZ2 LYS 26 2HZ LYS 26 10.361 -0.892 -2.452
214 HZ3 LYS 26 3HZ LYS 26 9.095 -1.876 -2.955
215 H LYS 27 H LYS 27 5.192 4.259 -0.196
216 HA LYS 27 HA LYS 27 3.268 5.015 -2.157
217 HB2 LYS 27 2HB LYS 27 5.597 6.562 -1.079
218 HB3 LYS 27 1HB LYS 27 4.334 7.240 -2.065
219 HG2 LYS 27 2HG LYS 27 2.660 6.748 -0.360
220 HG3 LYS 27 1HG LYS 27 3.905 6.022 0.653
221 HD2 LYS 27 2HD LYS 27 3.352 8.303 1.381
222 HD3 LYS 27 1HD LYS 27 5.028 8.171 0.860
223 HE2 LYS 27 2HE LYS 27 4.004 10.239 0.054
224 HE3 LYS 27 1HE LYS 27 4.460 9.194 -1.281
225 HZ1 LYS 27 1HZ LYS 27 2.091 8.531 -1.477
226 HZ2 LYS 27 2HZ LYS 27 2.347 10.162 -1.671
227 HZ3 LYS 27 3HZ LYS 27 1.692 9.613 -0.228
228 H LYS 28 H LYS 28 3.481 5.348 -4.231
229 HA LYS 28 HA LYS 28 6.094 4.702 -5.385
230 HB2 LYS 28 2HB LYS 28 4.186 3.120 -5.915
231 HB3 LYS 28 1HB LYS 28 3.437 4.443 -6.797
232 HG2 LYS 28 2HG LYS 28 5.408 4.566 -8.263
233 HG3 LYS 28 1HG LYS 28 6.113 3.201 -7.400
234 HD2 LYS 28 2HD LYS 28 4.114 1.855 -8.041
235 HD3 LYS 28 1HD LYS 28 3.575 3.217 -9.023
236 HE2 LYS 28 2HE LYS 28 6.143 1.665 -9.360
237 HE3 LYS 28 1HE LYS 28 4.725 1.568 -10.395
238 HZ1 LYS 28 1HZ LYS 28 6.475 3.967 -10.051
239 HZ2 LYS 28 2HZ LYS 28 5.096 3.903 -11.026
240 HZ3 LYS 28 3HZ LYS 28 6.421 2.933 -11.370
241 H LEU 29 H LEU 29 6.840 6.715 -5.318
242 HA LEU 29 HA LEU 29 5.471 8.839 -6.794
243 HB2 LEU 29 2HB LEU 29 6.434 9.272 -4.536
244 HB3 LEU 29 1HB LEU 29 8.018 8.875 -5.163
245 HG LEU 29 HG LEU 29 7.810 10.813 -6.726
246 HD11 LEU 29 1HD1 LEU 29 6.136 12.520 -6.242
247 HD12 LEU 29 2HD1 LEU 29 5.381 11.449 -5.067
248 HD13 LEU 29 3HD1 LEU 29 5.391 11.014 -6.775
249 HD21 LEU 29 1HD2 LEU 29 7.609 11.421 -3.783
250 HD22 LEU 29 2HD2 LEU 29 8.264 12.492 -5.025
251 HD23 LEU 29 3HD2 LEU 29 9.074 10.969 -4.658
252 H TRP 30 H TRP 30 7.889 6.499 -6.994
253 HA TRP 30 HA TRP 30 9.333 7.691 -9.205
254 HB2 TRP 30 2HB TRP 30 10.526 6.464 -7.388
255 HB3 TRP 30 1HB TRP 30 9.629 5.016 -7.801
256 HD1 TRP 30 HD TRP 30 10.317 3.808 -10.160
257 HE1 TRP 30 1HE TRP 30 12.548 3.811 -11.441
258 HE3 TRP 30 3HE TRP 30 12.503 7.865 -7.963
259 HZ2 TRP 30 2HZ TRP 30 14.923 5.331 -11.506
260 HZ3 TRP 30 3HZ TRP 30 14.757 8.522 -8.683
261 HH2 TRP 30 HH TRP 30 15.941 7.276 -10.421
Start of MODEL 8
1 H1 TYR 1 1HT TYR 1 -11.673 -0.921 3.299
2 H2 TYR 1 2HT TYR 1 -12.450 0.362 4.058
3 H3 TYR 1 3HT TYR 1 -10.821 0.012 4.391
4 HA TYR 1 HA TYR 1 -11.841 0.897 1.790
5 HB2 TYR 1 2HB TYR 1 -10.201 2.347 3.894
6 HB3 TYR 1 1HB TYR 1 -10.499 2.949 2.271
7 HD1 TYR 1 1HD TYR 1 -11.685 2.858 5.631
8 HD2 TYR 1 2HD TYR 1 -12.960 3.302 1.594
9 HE1 TYR 1 1HE TYR 1 -13.765 3.890 6.400
10 HE2 TYR 1 2HE TYR 1 -15.031 4.337 2.356
11 HH TYR 1 HH TYR 1 -15.504 5.515 5.380
12 H CYS 2 H CYS 2 -9.506 1.981 0.879
13 HA CYS 2 HA CYS 2 -7.874 -0.359 0.626
14 HB2 CYS 2 2HB CYS 2 -6.560 1.002 -0.971
15 HB3 CYS 2 1HB CYS 2 -8.264 0.952 -1.389
16 H GLN 3 H GLN 3 -5.613 -0.296 1.049
17 HA GLN 3 HA GLN 3 -5.189 0.898 3.607
18 HB2 GLN 3 2HB GLN 3 -3.338 -0.863 1.993
19 HB3 GLN 3 1HB GLN 3 -3.109 -0.365 3.654
20 HG2 GLN 3 2HG GLN 3 -5.415 -1.990 2.660
21 HG3 GLN 3 1HG GLN 3 -3.982 -2.635 3.458
22 HE21 GLN 3 1HE2 GLN 3 -3.646 -2.084 5.626
23 HE22 GLN 3 2HE2 GLN 3 -4.958 -1.613 6.660
24 H LYS 4 H LYS 4 -3.974 2.532 4.072
25 HA LYS 4 HA LYS 4 -3.011 4.179 1.910
26 HB2 LYS 4 2HB LYS 4 -3.183 4.680 4.879
27 HB3 LYS 4 1HB LYS 4 -2.805 5.877 3.642
28 HG2 LYS 4 2HG LYS 4 -5.007 5.655 2.692
29 HG3 LYS 4 1HG LYS 4 -5.397 4.362 3.827
30 HD2 LYS 4 2HD LYS 4 -5.164 5.916 5.690
31 HD3 LYS 4 1HD LYS 4 -4.736 7.209 4.568
32 HE2 LYS 4 2HE LYS 4 -6.931 6.981 3.495
33 HE3 LYS 4 1HE LYS 4 -7.352 5.714 4.646
34 HZ1 LYS 4 1HZ LYS 4 -7.210 7.293 6.423
35 HZ2 LYS 4 2HZ LYS 4 -8.221 7.931 5.238
36 HZ3 LYS 4 3HZ LYS 4 -6.639 8.486 5.396
37 H TRP 5 H TRP 5 -0.924 5.323 2.340
38 HA TRP 5 HA TRP 5 1.162 3.512 2.201
39 HB2 TRP 5 2HB TRP 5 2.657 5.395 2.063
40 HB3 TRP 5 1HB TRP 5 1.180 5.775 1.190
41 HD1 TRP 5 HD TRP 5 -0.668 7.151 3.082
42 HE1 TRP 5 1HE TRP 5 -0.057 9.260 4.419
43 HE3 TRP 5 3HE TRP 5 4.396 6.741 2.938
44 HZ2 TRP 5 2HZ TRP 5 2.268 10.576 5.288
45 HZ3 TRP 5 3HZ TRP 5 5.745 8.475 4.042
46 HH2 TRP 5 HH TRP 5 4.693 10.345 5.187
47 H MET 6 H MET 6 -0.024 5.204 5.066
48 HA MET 6 HA MET 6 2.315 4.553 6.556
49 HB2 MET 6 2HB MET 6 0.931 6.484 7.217
50 HB3 MET 6 1HB MET 6 -0.395 5.390 7.601
51 HG2 MET 6 2HG MET 6 0.952 4.334 9.322
52 HG3 MET 6 1HG MET 6 2.293 5.392 8.924
53 HE1 MET 6 1HE MET 6 -1.569 6.229 9.207
54 HE2 MET 6 2HE MET 6 -1.667 6.727 10.896
55 HE3 MET 6 3HE MET 6 -1.259 5.060 10.492
56 H TRP 7 H TRP 7 -0.544 2.999 5.737
57 HA TRP 7 HA TRP 7 -0.440 1.079 7.912
58 HB2 TRP 7 2HB TRP 7 -2.355 1.281 5.571
59 HB3 TRP 7 1HB TRP 7 -2.515 0.151 6.900
60 HD1 TRP 7 HD TRP 7 -1.643 2.858 8.921
61 HE1 TRP 7 1HE TRP 7 -3.630 4.376 9.582
62 HE3 TRP 7 3HE TRP 7 -5.021 1.341 5.430
63 HZ2 TRP 7 2HZ TRP 7 -6.271 4.846 8.733
64 HZ3 TRP 7 3HZ TRP 7 -7.263 2.364 5.411
65 HH2 TRP 7 HH TRP 7 -7.872 4.078 7.038
66 H THR 8 H THR 8 -1.022 -1.274 6.905
67 HA THR 8 HA THR 8 1.100 -1.789 4.975
68 HB THR 8 HB THR 8 1.289 -4.016 6.113
69 HG1 THR 8 1HG THR 8 0.115 -3.515 8.412
70 HG21 THR 8 1HG2 THR 8 2.747 -2.151 6.837
71 HG22 THR 8 2HG2 THR 8 2.351 -3.225 8.181
72 HG23 THR 8 3HG2 THR 8 1.527 -1.673 8.016
73 H CYS 9 H CYS 9 0.523 -3.788 3.443
74 HA CYS 9 HA CYS 9 -2.336 -4.203 3.613
75 HB2 CYS 9 2HB CYS 9 -2.464 -4.373 1.140
76 HB3 CYS 9 1HB CYS 9 -2.020 -2.769 1.698
77 H ASP 10 H ASP 10 -2.882 -6.223 2.107
78 HA ASP 10 HA ASP 10 -0.966 -8.334 2.499
79 HB2 ASP 10 2HB ASP 10 -2.066 -7.928 4.789
80 HB3 ASP 10 1HB ASP 10 -3.592 -8.382 4.047
81 H SER 11 H SER 11 -2.897 -10.400 2.278
82 HA SER 11 HA SER 11 -3.613 -10.100 -0.465
83 HB2 SER 11 2HB SER 11 -2.790 -12.232 0.490
84 HB3 SER 11 1HB SER 11 -4.218 -12.313 1.520
85 HG SER 11 HG SER 11 -5.278 -13.080 -0.069
86 H GLU 12 H GLU 12 -5.197 -9.973 2.646
87 HA GLU 12 HA GLU 12 -7.867 -9.792 1.492
88 HB2 GLU 12 2HB GLU 12 -7.021 -9.290 4.329
89 HB3 GLU 12 1HB GLU 12 -8.642 -9.613 3.747
90 HG2 GLU 12 2HG GLU 12 -7.963 -11.879 3.143
91 HG3 GLU 12 1HG GLU 12 -6.342 -11.545 3.759
92 H ARG 13 H ARG 13 -5.396 -7.723 2.773
93 HA ARG 13 HA ARG 13 -7.205 -5.438 2.699
94 HB2 ARG 13 2HB ARG 13 -4.447 -5.723 3.912
95 HB3 ARG 13 1HB ARG 13 -5.389 -4.237 3.916
96 HG2 ARG 13 2HG ARG 13 -7.140 -5.353 5.219
97 HG3 ARG 13 1HG ARG 13 -6.183 -6.828 5.211
98 HD2 ARG 13 2HD ARG 13 -5.251 -4.207 6.367
99 HD3 ARG 13 1HD ARG 13 -6.004 -5.476 7.324
100 HE ARG 13 HE ARG 13 -4.042 -6.871 6.416
101 HH11 ARG 13 1HH1 ARG 13 -3.896 -3.486 7.459
102 HH12 ARG 13 2HH1 ARG 13 -2.226 -3.517 7.778
103 HH21 ARG 13 1HH2 ARG 13 -1.692 -6.893 6.967
104 HH22 ARG 13 2HH2 ARG 13 -0.999 -5.427 7.494
105 H LYS 14 H LYS 14 -7.244 -4.400 0.854
106 HA LYS 14 HA LYS 14 -4.959 -4.592 -0.927
107 HB2 LYS 14 2HB LYS 14 -6.511 -3.685 -2.673
108 HB3 LYS 14 1HB LYS 14 -7.029 -5.206 -1.977
109 HG2 LYS 14 2HG LYS 14 -8.590 -3.905 -0.511
110 HG3 LYS 14 1HG LYS 14 -8.149 -2.463 -1.425
111 HD2 LYS 14 2HD LYS 14 -8.942 -3.531 -3.489
112 HD3 LYS 14 1HD LYS 14 -9.383 -4.974 -2.578
113 HE2 LYS 14 2HE LYS 14 -10.926 -3.598 -1.230
114 HE3 LYS 14 1HE LYS 14 -10.553 -2.209 -2.251
115 HZ1 LYS 14 1HZ LYS 14 -11.855 -4.745 -3.092
116 HZ2 LYS 14 2HZ LYS 14 -11.466 -3.498 -4.149
117 HZ3 LYS 14 3HZ LYS 14 -12.600 -3.247 -2.927
118 H CYS 15 H CYS 15 -3.721 -2.963 -1.478
119 HA CYS 15 HA CYS 15 -3.835 -0.584 0.167
120 HB2 CYS 15 2HB CYS 15 -1.741 -1.976 -0.393
121 HB3 CYS 15 1HB CYS 15 -1.824 -1.223 -1.976
122 H CYS 16 H CYS 16 -3.749 1.555 -0.674
123 HA CYS 16 HA CYS 16 -5.691 2.019 -2.628
124 HB2 CYS 16 2HB CYS 16 -3.679 3.927 -1.434
125 HB3 CYS 16 1HB CYS 16 -5.079 4.399 -2.386
126 H LYS 17 H LYS 17 -5.605 2.796 -4.645
127 HA LYS 17 HA LYS 17 -3.382 2.044 -6.237
128 HB2 LYS 17 2HB LYS 17 -5.850 3.634 -6.962
129 HB3 LYS 17 1HB LYS 17 -4.715 2.921 -8.106
130 HG2 LYS 17 2HG LYS 17 -5.238 0.703 -7.257
131 HG3 LYS 17 1HG LYS 17 -6.389 1.404 -6.122
132 HD2 LYS 17 2HD LYS 17 -7.690 2.272 -8.027
133 HD3 LYS 17 1HD LYS 17 -6.544 1.507 -9.132
134 HE2 LYS 17 2HE LYS 17 -8.297 0.106 -7.112
135 HE3 LYS 17 1HE LYS 17 -8.511 0.106 -8.861
136 HZ1 LYS 17 1HZ LYS 17 -6.312 -1.004 -9.024
137 HZ2 LYS 17 2HZ LYS 17 -7.446 -1.922 -8.246
138 HZ3 LYS 17 3HZ LYS 17 -6.267 -1.141 -7.345
139 H GLY 18 H GLY 18 -1.791 3.229 -7.012
140 HA2 GLY 18 2HA GLY 18 -0.704 5.300 -7.495
141 HA3 GLY 18 1HA GLY 18 -1.701 6.073 -6.258
142 H MET 19 H MET 19 -1.056 3.240 -4.982
143 HA MET 19 HA MET 19 1.490 4.018 -3.750
144 HB2 MET 19 2HB MET 19 -0.904 2.622 -2.514
145 HB3 MET 19 1HB MET 19 0.645 2.836 -1.713
146 HG2 MET 19 2HG MET 19 0.397 5.175 -1.690
147 HG3 MET 19 1HG MET 19 -1.070 5.113 -2.678
148 HE1 MET 19 1HE MET 19 -2.537 6.324 0.700
149 HE2 MET 19 2HE MET 19 -2.499 6.553 -1.050
150 HE3 MET 19 3HE MET 19 -1.042 6.824 -0.093
151 H VAL 20 H VAL 20 2.543 1.984 -2.773
152 HA VAL 20 HA VAL 20 2.292 -0.214 -4.699
153 HB VAL 20 HB VAL 20 4.617 0.540 -2.891
154 HG11 VAL 20 1HG1 VAL 20 4.519 -1.862 -3.243
155 HG12 VAL 20 2HG1 VAL 20 5.888 -1.170 -4.109
156 HG13 VAL 20 3HG1 VAL 20 4.429 -1.623 -4.986
157 HG21 VAL 20 1HG2 VAL 20 4.379 2.119 -4.713
158 HG22 VAL 20 2HG2 VAL 20 4.297 0.800 -5.878
159 HG23 VAL 20 3HG2 VAL 20 5.791 1.096 -4.990
160 H CYS 21 H CYS 21 1.552 -2.085 -3.952
161 HA CYS 21 HA CYS 21 0.954 -2.296 -1.121
162 HB2 CYS 21 2HB CYS 21 -0.766 -2.794 -2.930
163 HB3 CYS 21 1HB CYS 21 0.195 -4.206 -3.335
164 H ARG 22 H ARG 22 2.001 -3.630 0.210
165 HA ARG 22 HA ARG 22 3.587 -5.865 -0.548
166 HB2 ARG 22 2HB ARG 22 4.868 -3.704 -1.208
167 HB3 ARG 22 1HB ARG 22 5.060 -3.496 0.528
168 HG2 ARG 22 2HG ARG 22 6.218 -5.572 0.707
169 HG3 ARG 22 1HG ARG 22 5.891 -5.943 -0.993
170 HD2 ARG 22 2HD ARG 22 7.325 -3.594 0.012
171 HD3 ARG 22 1HD ARG 22 8.122 -5.122 -0.459
172 HE ARG 22 HE ARG 22 6.871 -4.594 -2.672
173 HH11 ARG 22 1HH1 ARG 22 8.484 -2.176 -0.626
174 HH12 ARG 22 2HH1 ARG 22 8.915 -1.167 -1.933
175 HH21 ARG 22 1HH2 ARG 22 7.498 -3.183 -4.447
176 HH22 ARG 22 2HH2 ARG 22 8.342 -1.739 -4.118
177 H LEU 23 H LEU 23 5.039 -6.188 1.700
178 HA LEU 23 HA LEU 23 3.539 -6.807 3.832
179 HB2 LEU 23 2HB LEU 23 5.952 -7.265 3.664
180 HB3 LEU 23 1HB LEU 23 6.298 -5.573 3.946
181 HG LEU 23 HG LEU 23 5.316 -5.785 6.218
182 HD11 LEU 23 1HD1 LEU 23 5.181 -8.720 5.559
183 HD12 LEU 23 2HD1 LEU 23 3.813 -7.645 5.854
184 HD13 LEU 23 3HD1 LEU 23 4.942 -8.013 7.156
185 HD21 LEU 23 1HD2 LEU 23 7.564 -7.701 5.600
186 HD22 LEU 23 2HD2 LEU 23 7.185 -7.033 7.187
187 HD23 LEU 23 3HD2 LEU 23 7.723 -5.969 5.889
188 H TRP 24 H TRP 24 4.952 -3.618 3.220
189 HA TRP 24 HA TRP 24 2.765 -2.560 4.747
190 HB2 TRP 24 2HB TRP 24 4.123 -0.780 5.729
191 HB3 TRP 24 1HB TRP 24 4.850 -2.325 6.132
192 HD1 TRP 24 HD TRP 24 5.348 0.735 3.992
193 HE1 TRP 24 1HE TRP 24 7.875 0.968 3.383
194 HE3 TRP 24 3HE TRP 24 6.993 -3.685 5.872
195 HZ2 TRP 24 2HZ TRP 24 10.230 -0.575 3.696
196 HZ3 TRP 24 3HZ TRP 24 9.386 -4.249 5.690
197 HH2 TRP 24 HH TRP 24 10.964 -2.723 4.624
198 H CYS 25 H CYS 25 2.048 -0.397 3.869
199 HA CYS 25 HA CYS 25 2.378 -0.429 1.030
200 HB2 CYS 25 2HB CYS 25 0.710 1.257 2.876
201 HB3 CYS 25 1HB CYS 25 0.864 1.635 1.164
202 H LYS 26 H LYS 26 2.861 1.467 -0.213
203 HA LYS 26 HA LYS 26 4.663 3.397 0.982
204 HB2 LYS 26 2HB LYS 26 6.010 1.355 0.484
205 HB3 LYS 26 1HB LYS 26 5.472 1.432 -1.182
206 HG2 LYS 26 2HG LYS 26 6.652 3.455 -1.536
207 HG3 LYS 26 1HG LYS 26 7.025 3.585 0.180
208 HD2 LYS 26 2HD LYS 26 8.263 1.396 -0.029
209 HD3 LYS 26 1HD LYS 26 7.999 1.487 -1.767
210 HE2 LYS 26 2HE LYS 26 9.505 3.498 -0.099
211 HE3 LYS 26 1HE LYS 26 10.233 2.275 -1.134
212 HZ1 LYS 26 1HZ LYS 26 9.201 3.351 -3.042
213 HZ2 LYS 26 2HZ LYS 26 10.186 4.414 -2.181
214 HZ3 LYS 26 3HZ LYS 26 8.524 4.530 -2.025
215 H LYS 27 H LYS 27 4.965 5.222 -0.694
216 HA LYS 27 HA LYS 27 2.722 5.362 -2.385
217 HB2 LYS 27 2HB LYS 27 3.466 7.274 -1.155
218 HB3 LYS 27 1HB LYS 27 5.087 7.135 -1.841
219 HG2 LYS 27 2HG LYS 27 3.990 8.920 -2.876
220 HG3 LYS 27 1HG LYS 27 4.150 7.547 -3.996
221 HD2 LYS 27 2HD LYS 27 1.796 6.920 -3.559
222 HD3 LYS 27 1HD LYS 27 1.624 8.313 -2.495
223 HE2 LYS 27 2HE LYS 27 2.248 8.424 -5.449
224 HE3 LYS 27 1HE LYS 27 0.662 8.694 -4.740
225 HZ1 LYS 27 1HZ LYS 27 3.082 10.352 -4.265
226 HZ2 LYS 27 2HZ LYS 27 1.588 10.620 -3.564
227 HZ3 LYS 27 3HZ LYS 27 1.773 10.783 -5.222
228 H LYS 28 H LYS 28 2.832 5.507 -4.600
229 HA LYS 28 HA LYS 28 5.083 4.139 -5.844
230 HB2 LYS 28 2HB LYS 28 2.883 3.273 -6.348
231 HB3 LYS 28 1HB LYS 28 2.320 4.861 -6.829
232 HG2 LYS 28 2HG LYS 28 3.871 4.818 -8.733
233 HG3 LYS 28 1HG LYS 28 4.386 3.202 -8.260
234 HD2 LYS 28 2HD LYS 28 1.536 3.940 -8.919
235 HD3 LYS 28 1HD LYS 28 2.667 3.251 -10.079
236 HE2 LYS 28 2HE LYS 28 1.863 1.923 -7.482
237 HE3 LYS 28 1HE LYS 28 1.120 1.592 -9.038
238 HZ1 LYS 28 1HZ LYS 28 3.265 0.864 -9.869
239 HZ2 LYS 28 2HZ LYS 28 2.779 -0.032 -8.541
240 HZ3 LYS 28 3HZ LYS 28 3.986 1.129 -8.364
241 H LEU 29 H LEU 29 6.648 5.420 -6.522
242 HA LEU 29 HA LEU 29 6.018 8.157 -7.335
243 HB2 LEU 29 2HB LEU 29 8.712 6.838 -6.893
244 HB3 LEU 29 1HB LEU 29 8.491 8.494 -7.395
245 HG LEU 29 HG LEU 29 9.048 8.588 -5.135
246 HD11 LEU 29 1HD1 LEU 29 7.262 10.084 -5.668
247 HD12 LEU 29 2HD1 LEU 29 7.126 9.522 -4.002
248 HD13 LEU 29 3HD1 LEU 29 6.067 8.855 -5.244
249 HD21 LEU 29 1HD2 LEU 29 7.936 7.328 -3.350
250 HD22 LEU 29 2HD2 LEU 29 8.732 6.264 -4.512
251 HD23 LEU 29 3HD2 LEU 29 6.981 6.469 -4.559
252 H TRP 30 H TRP 30 7.125 5.109 -8.516
253 HA TRP 30 HA TRP 30 6.930 6.108 -11.229
254 HB2 TRP 30 2HB TRP 30 9.171 4.342 -10.180
255 HB3 TRP 30 1HB TRP 30 8.896 4.727 -11.873
256 HD1 TRP 30 HD TRP 30 10.577 6.029 -8.781
257 HE1 TRP 30 1HE TRP 30 11.700 8.317 -9.297
258 HE3 TRP 30 3HE TRP 30 8.521 6.949 -13.349
259 HZ2 TRP 30 2HZ TRP 30 11.696 10.222 -11.355
260 HZ3 TRP 30 3HZ TRP 30 9.114 9.029 -14.526
261 HH2 TRP 30 HH TRP 30 10.671 10.629 -13.541
Start of MODEL 9
1 H1 TYR 1 1HT TYR 1 -12.806 0.669 4.034
2 H2 TYR 1 2HT TYR 1 -11.474 1.685 3.914
3 H3 TYR 1 3HT TYR 1 -11.247 0.037 4.043
4 HA TYR 1 HA TYR 1 -12.189 -0.370 1.942
5 HB2 TYR 1 2HB TYR 1 -13.874 1.404 1.929
6 HB3 TYR 1 1HB TYR 1 -12.627 2.633 1.876
7 HD1 TYR 1 1HD TYR 1 -13.897 -0.285 -0.112
8 HD2 TYR 1 2HD TYR 1 -12.090 3.570 -0.164
9 HE1 TYR 1 1HE TYR 1 -14.080 -0.234 -2.555
10 HE2 TYR 1 2HE TYR 1 -12.261 3.628 -2.595
11 HH TYR 1 HH TYR 1 -12.490 2.133 -4.471
12 H CYS 2 H CYS 2 -10.457 2.778 2.105
13 HA CYS 2 HA CYS 2 -8.427 1.555 0.440
14 HB2 CYS 2 2HB CYS 2 -9.447 3.745 -0.220
15 HB3 CYS 2 1HB CYS 2 -8.767 4.451 1.241
16 H GLN 3 H GLN 3 -6.213 1.981 0.973
17 HA GLN 3 HA GLN 3 -5.750 1.642 3.832
18 HB2 GLN 3 2HB GLN 3 -3.929 1.158 1.469
19 HB3 GLN 3 1HB GLN 3 -3.463 0.935 3.145
20 HG2 GLN 3 2HG GLN 3 -5.591 -0.595 1.668
21 HG3 GLN 3 1HG GLN 3 -3.983 -1.179 2.093
22 HE21 GLN 3 1HE2 GLN 3 -3.532 -1.687 4.251
23 HE22 GLN 3 2HE2 GLN 3 -4.797 -1.878 5.409
24 H LYS 4 H LYS 4 -4.208 2.874 4.891
25 HA LYS 4 HA LYS 4 -3.627 5.460 3.685
26 HB2 LYS 4 2HB LYS 4 -3.269 4.409 6.504
27 HB3 LYS 4 1HB LYS 4 -2.810 6.022 5.981
28 HG2 LYS 4 2HG LYS 4 -5.570 4.944 5.767
29 HG3 LYS 4 1HG LYS 4 -5.024 5.846 7.197
30 HD2 LYS 4 2HD LYS 4 -4.475 7.728 5.654
31 HD3 LYS 4 1HD LYS 4 -5.183 6.810 4.329
32 HE2 LYS 4 2HE LYS 4 -6.618 7.736 6.820
33 HE3 LYS 4 1HE LYS 4 -6.732 8.485 5.235
34 HZ1 LYS 4 1HZ LYS 4 -7.714 6.385 4.407
35 HZ2 LYS 4 2HZ LYS 4 -8.612 7.097 5.614
36 HZ3 LYS 4 3HZ LYS 4 -7.695 5.758 5.978
37 H TRP 5 H TRP 5 -1.476 6.215 3.776
38 HA TRP 5 HA TRP 5 0.473 4.425 2.774
39 HB2 TRP 5 2HB TRP 5 2.049 6.247 2.834
40 HB3 TRP 5 1HB TRP 5 0.482 6.923 2.415
41 HD1 TRP 5 HD TRP 5 -0.852 8.045 4.691
42 HE1 TRP 5 1HE TRP 5 0.174 9.563 6.504
43 HE3 TRP 5 3HE TRP 5 4.049 6.796 4.093
44 HZ2 TRP 5 2HZ TRP 5 2.732 10.134 7.551
45 HZ3 TRP 5 3HZ TRP 5 5.728 7.864 5.543
46 HH2 TRP 5 HH TRP 5 5.075 9.496 7.235
47 H MET 6 H MET 6 -0.379 5.205 5.946
48 HA MET 6 HA MET 6 2.090 4.360 7.094
49 HB2 MET 6 2HB MET 6 1.021 4.777 9.278
50 HB3 MET 6 1HB MET 6 0.895 6.150 8.190
51 HG2 MET 6 2HG MET 6 -1.412 5.497 7.673
52 HG3 MET 6 1HG MET 6 -1.274 4.160 8.808
53 HE1 MET 6 1HE MET 6 -3.694 6.656 10.609
54 HE2 MET 6 2HE MET 6 -3.481 5.015 9.998
55 HE3 MET 6 3HE MET 6 -3.577 6.369 8.872
56 H TRP 7 H TRP 7 -0.530 2.731 5.832
57 HA TRP 7 HA TRP 7 -0.388 0.569 7.789
58 HB2 TRP 7 2HB TRP 7 -2.426 1.067 5.600
59 HB3 TRP 7 1HB TRP 7 -2.431 -0.339 6.651
60 HD1 TRP 7 HD TRP 7 -1.600 1.881 9.182
61 HE1 TRP 7 1HE TRP 7 -3.592 3.059 10.278
62 HE3 TRP 7 3HE TRP 7 -5.105 0.983 5.596
63 HZ2 TRP 7 2HZ TRP 7 -6.328 3.549 9.684
64 HZ3 TRP 7 3HZ TRP 7 -7.388 1.834 5.931
65 HH2 TRP 7 HH TRP 7 -7.982 3.082 7.937
66 H THR 8 H THR 8 -0.985 -1.605 6.381
67 HA THR 8 HA THR 8 1.143 -1.812 4.381
68 HB THR 8 HB THR 8 1.772 -3.975 5.409
69 HG1 THR 8 1HG THR 8 0.543 -4.902 6.789
70 HG21 THR 8 1HG2 THR 8 1.609 -1.823 7.539
71 HG22 THR 8 2HG2 THR 8 2.871 -1.912 6.324
72 HG23 THR 8 3HG2 THR 8 2.721 -3.189 7.536
73 H CYS 9 H CYS 9 0.716 -4.262 3.187
74 HA CYS 9 HA CYS 9 -2.144 -4.737 3.380
75 HB2 CYS 9 2HB CYS 9 -2.390 -4.979 1.004
76 HB3 CYS 9 1HB CYS 9 -1.743 -3.384 1.355
77 H ASP 10 H ASP 10 -2.697 -6.830 2.176
78 HA ASP 10 HA ASP 10 -0.668 -8.837 2.099
79 HB2 ASP 10 2HB ASP 10 -1.240 -8.546 4.608
80 HB3 ASP 10 1HB ASP 10 -2.850 -9.123 4.198
81 H SER 11 H SER 11 -3.175 -10.726 2.732
82 HA SER 11 HA SER 11 -3.984 -10.798 0.002
83 HB2 SER 11 2HB SER 11 -5.344 -12.779 0.863
84 HB3 SER 11 1HB SER 11 -3.588 -12.891 1.002
85 HG SER 11 HG SER 11 -3.804 -13.035 3.052
86 H GLU 12 H GLU 12 -5.634 -10.109 3.075
87 HA GLU 12 HA GLU 12 -8.133 -9.624 1.752
88 HB2 GLU 12 2HB GLU 12 -7.287 -8.959 4.587
89 HB3 GLU 12 1HB GLU 12 -8.917 -8.812 3.960
90 HG2 GLU 12 2HG GLU 12 -7.346 -11.364 4.213
91 HG3 GLU 12 1HG GLU 12 -8.657 -10.837 5.268
92 H ARG 13 H ARG 13 -5.742 -7.584 3.324
93 HA ARG 13 HA ARG 13 -7.037 -5.210 2.275
94 HB2 ARG 13 2HB ARG 13 -4.742 -5.658 4.123
95 HB3 ARG 13 1HB ARG 13 -5.175 -4.047 3.550
96 HG2 ARG 13 2HG ARG 13 -6.995 -5.903 5.022
97 HG3 ARG 13 1HG ARG 13 -5.990 -4.684 5.825
98 HD2 ARG 13 2HD ARG 13 -8.236 -3.810 5.540
99 HD3 ARG 13 1HD ARG 13 -7.134 -2.945 4.478
100 HE ARG 13 HE ARG 13 -8.627 -5.199 3.412
101 HH11 ARG 13 1HH1 ARG 13 -8.053 -1.693 3.438
102 HH12 ARG 13 2HH1 ARG 13 -9.061 -1.373 2.114
103 HH21 ARG 13 1HH2 ARG 13 -9.954 -4.757 1.556
104 HH22 ARG 13 2HH2 ARG 13 -10.174 -3.168 1.000
105 H LYS 14 H LYS 14 -6.535 -4.541 0.365
106 HA LYS 14 HA LYS 14 -3.807 -4.940 -0.639
107 HB2 LYS 14 2HB LYS 14 -6.378 -4.331 -2.106
108 HB3 LYS 14 1HB LYS 14 -4.797 -4.306 -2.868
109 HG2 LYS 14 2HG LYS 14 -4.519 -6.684 -2.299
110 HG3 LYS 14 1HG LYS 14 -6.144 -6.688 -1.612
111 HD2 LYS 14 2HD LYS 14 -7.091 -6.119 -3.773
112 HD3 LYS 14 1HD LYS 14 -5.475 -5.996 -4.474
113 HE2 LYS 14 2HE LYS 14 -5.093 -8.358 -4.003
114 HE3 LYS 14 1HE LYS 14 -6.705 -8.490 -3.305
115 HZ1 LYS 14 1HZ LYS 14 -6.608 -9.291 -5.568
116 HZ2 LYS 14 2HZ LYS 14 -6.094 -7.792 -6.126
117 HZ3 LYS 14 3HZ LYS 14 -7.638 -7.970 -5.467
118 H CYS 15 H CYS 15 -2.585 -3.150 -1.211
119 HA CYS 15 HA CYS 15 -3.432 -0.641 -0.095
120 HB2 CYS 15 2HB CYS 15 -1.013 -1.226 -1.845
121 HB3 CYS 15 1HB CYS 15 -1.305 0.285 -0.996
122 H CYS 16 H CYS 16 -3.901 1.263 -1.237
123 HA CYS 16 HA CYS 16 -5.431 0.801 -3.577
124 HB2 CYS 16 2HB CYS 16 -4.702 3.398 -2.219
125 HB3 CYS 16 1HB CYS 16 -6.015 3.160 -3.375
126 H LYS 17 H LYS 17 -5.180 1.954 -5.575
127 HA LYS 17 HA LYS 17 -2.664 1.789 -6.776
128 HB2 LYS 17 2HB LYS 17 -4.839 1.699 -7.928
129 HB3 LYS 17 1HB LYS 17 -5.082 3.406 -7.609
130 HG2 LYS 17 2HG LYS 17 -3.101 3.919 -8.990
131 HG3 LYS 17 1HG LYS 17 -2.932 2.197 -9.339
132 HD2 LYS 17 2HD LYS 17 -5.360 3.861 -9.989
133 HD3 LYS 17 1HD LYS 17 -4.093 3.437 -11.139
134 HE2 LYS 17 2HE LYS 17 -4.611 1.099 -10.921
135 HE3 LYS 17 1HE LYS 17 -5.770 1.416 -9.633
136 HZ1 LYS 17 1HZ LYS 17 -6.861 1.049 -11.747
137 HZ2 LYS 17 2HZ LYS 17 -6.020 2.331 -12.442
138 HZ3 LYS 17 3HZ LYS 17 -7.125 2.621 -11.211
139 H GLY 18 H GLY 18 -1.087 3.328 -7.164
140 HA2 GLY 18 2HA GLY 18 -0.244 5.578 -7.062
141 HA3 GLY 18 1HA GLY 18 -1.441 5.925 -5.807
142 H MET 19 H MET 19 -0.857 3.138 -4.838
143 HA MET 19 HA MET 19 1.731 3.532 -3.564
144 HB2 MET 19 2HB MET 19 -0.838 2.462 -2.363
145 HB3 MET 19 1HB MET 19 0.736 2.170 -1.641
146 HG2 MET 19 2HG MET 19 1.051 4.552 -1.352
147 HG3 MET 19 1HG MET 19 -0.539 4.875 -2.061
148 HE1 MET 19 1HE MET 19 -2.300 2.535 -0.769
149 HE2 MET 19 2HE MET 19 -2.829 4.217 -0.827
150 HE3 MET 19 3HE MET 19 -2.892 3.325 0.690
151 H VAL 20 H VAL 20 2.584 1.408 -2.881
152 HA VAL 20 HA VAL 20 2.010 -0.617 -4.950
153 HB VAL 20 HB VAL 20 4.377 -0.616 -3.083
154 HG11 VAL 20 1HG1 VAL 20 4.004 -1.812 -5.811
155 HG12 VAL 20 2HG1 VAL 20 3.908 -2.665 -4.276
156 HG13 VAL 20 3HG1 VAL 20 5.441 -1.959 -4.797
157 HG21 VAL 20 1HG2 VAL 20 5.740 0.493 -4.783
158 HG22 VAL 20 2HG2 VAL 20 4.437 1.548 -4.225
159 HG23 VAL 20 3HG2 VAL 20 4.305 0.723 -5.780
160 H CYS 21 H CYS 21 1.273 -2.613 -4.242
161 HA CYS 21 HA CYS 21 0.693 -2.765 -1.417
162 HB2 CYS 21 2HB CYS 21 -1.030 -3.366 -3.118
163 HB3 CYS 21 1HB CYS 21 -0.015 -4.704 -3.641
164 H ARG 22 H ARG 22 2.344 -3.307 -0.276
165 HA ARG 22 HA ARG 22 3.905 -5.684 -0.940
166 HB2 ARG 22 2HB ARG 22 4.885 -2.956 -0.171
167 HB3 ARG 22 1HB ARG 22 5.861 -4.378 0.109
168 HG2 ARG 22 2HG ARG 22 5.748 -4.879 -2.253
169 HG3 ARG 22 1HG ARG 22 4.878 -3.356 -2.536
170 HD2 ARG 22 2HD ARG 22 6.790 -2.180 -1.464
171 HD3 ARG 22 1HD ARG 22 7.619 -3.738 -1.385
172 HE ARG 22 HE ARG 22 6.789 -3.125 -4.037
173 HH11 ARG 22 1HH1 ARG 22 9.450 -2.607 -1.732
174 HH12 ARG 22 2HH1 ARG 22 10.530 -2.053 -2.915
175 HH21 ARG 22 1HH2 ARG 22 8.311 -2.348 -5.646
176 HH22 ARG 22 2HH2 ARG 22 9.889 -1.924 -5.188
177 H LEU 23 H LEU 23 5.500 -5.615 1.222
178 HA LEU 23 HA LEU 23 4.075 -6.556 3.399
179 HB2 LEU 23 2HB LEU 23 6.486 -6.864 3.086
180 HB3 LEU 23 1HB LEU 23 6.761 -5.162 3.383
181 HG LEU 23 HG LEU 23 5.890 -5.511 5.706
182 HD11 LEU 23 1HD1 LEU 23 6.041 -8.417 4.937
183 HD12 LEU 23 2HD1 LEU 23 4.577 -7.513 5.328
184 HD13 LEU 23 3HD1 LEU 23 5.800 -7.791 6.567
185 HD21 LEU 23 1HD2 LEU 23 7.926 -6.576 6.518
186 HD22 LEU 23 2HD2 LEU 23 8.276 -5.432 5.222
187 HD23 LEU 23 3HD2 LEU 23 8.270 -7.166 4.894
188 H TRP 24 H TRP 24 4.776 -3.283 2.433
189 HA TRP 24 HA TRP 24 2.934 -2.370 4.435
190 HB2 TRP 24 2HB TRP 24 4.292 -0.484 5.079
191 HB3 TRP 24 1HB TRP 24 5.331 -1.892 5.192
192 HD1 TRP 24 HD TRP 24 4.933 1.369 3.490
193 HE1 TRP 24 1HE TRP 24 6.992 1.872 1.971
194 HE3 TRP 24 3HE TRP 24 7.159 -3.184 3.681
195 HZ2 TRP 24 2HZ TRP 24 9.250 0.466 1.004
196 HZ3 TRP 24 3HZ TRP 24 9.257 -3.550 2.442
197 HH2 TRP 24 HH TRP 24 10.278 -1.755 1.134
198 H CYS 25 H CYS 25 2.040 -0.086 3.620
199 HA CYS 25 HA CYS 25 1.821 -0.263 0.754
200 HB2 CYS 25 2HB CYS 25 0.579 1.642 2.759
201 HB3 CYS 25 1HB CYS 25 0.311 1.750 1.024
202 H LYS 26 H LYS 26 3.295 0.544 -0.454
203 HA LYS 26 HA LYS 26 4.998 2.654 0.598
204 HB2 LYS 26 2HB LYS 26 6.142 0.687 -0.313
205 HB3 LYS 26 1HB LYS 26 5.336 0.921 -1.859
206 HG2 LYS 26 2HG LYS 26 6.477 3.091 -2.101
207 HG3 LYS 26 1HG LYS 26 7.322 2.790 -0.584
208 HD2 LYS 26 2HD LYS 26 8.367 0.813 -1.549
209 HD3 LYS 26 1HD LYS 26 7.493 1.082 -3.061
210 HE2 LYS 26 2HE LYS 26 9.492 2.974 -1.817
211 HE3 LYS 26 1HE LYS 26 9.802 1.907 -3.182
212 HZ1 LYS 26 1HZ LYS 26 9.338 4.160 -3.894
213 HZ2 LYS 26 2HZ LYS 26 7.856 4.182 -3.168
214 HZ3 LYS 26 3HZ LYS 26 8.152 3.139 -4.477
215 H LYS 27 H LYS 27 4.605 4.670 0.003
216 HA LYS 27 HA LYS 27 2.744 5.124 -2.145
217 HB2 LYS 27 2HB LYS 27 2.923 7.533 -1.528
218 HB3 LYS 27 1HB LYS 27 2.373 6.493 -0.229
219 HG2 LYS 27 2HG LYS 27 4.630 6.550 0.740
220 HG3 LYS 27 1HG LYS 27 5.135 7.593 -0.594
221 HD2 LYS 27 2HD LYS 27 3.571 9.312 0.111
222 HD3 LYS 27 1HD LYS 27 2.951 8.267 1.389
223 HE2 LYS 27 2HE LYS 27 4.460 9.899 2.342
224 HE3 LYS 27 1HE LYS 27 5.183 8.302 2.450
225 HZ1 LYS 27 1HZ LYS 27 6.548 8.854 0.503
226 HZ2 LYS 27 2HZ LYS 27 6.789 9.918 1.768
227 HZ3 LYS 27 3HZ LYS 27 5.872 10.403 0.453
228 H LYS 28 H LYS 28 3.085 5.852 -4.018
229 HA LYS 28 HA LYS 28 5.851 5.904 -4.993
230 HB2 LYS 28 2HB LYS 28 3.247 5.955 -6.512
231 HB3 LYS 28 1HB LYS 28 4.842 5.832 -7.214
232 HG2 LYS 28 2HG LYS 28 5.104 3.615 -6.194
233 HG3 LYS 28 1HG LYS 28 3.482 3.764 -5.496
234 HD2 LYS 28 2HD LYS 28 2.527 4.016 -7.716
235 HD3 LYS 28 1HD LYS 28 4.133 3.921 -8.430
236 HE2 LYS 28 2HE LYS 28 4.349 1.634 -7.622
237 HE3 LYS 28 1HE LYS 28 2.740 1.734 -6.894
238 HZ1 LYS 28 1HZ LYS 28 1.839 2.104 -9.114
239 HZ2 LYS 28 2HZ LYS 28 2.679 0.631 -9.023
240 HZ3 LYS 28 3HZ LYS 28 3.382 1.956 -9.778
241 H LEU 29 H LEU 29 6.537 7.622 -6.322
242 HA LEU 29 HA LEU 29 4.902 10.016 -6.105
243 HB2 LEU 29 2HB LEU 29 7.006 11.294 -6.683
244 HB3 LEU 29 1HB LEU 29 7.030 10.477 -5.145
245 HG LEU 29 HG LEU 29 8.367 8.640 -6.369
246 HD11 LEU 29 1HD1 LEU 29 7.978 9.377 -8.649
247 HD12 LEU 29 2HD1 LEU 29 9.698 9.385 -8.262
248 HD13 LEU 29 3HD1 LEU 29 8.801 10.900 -8.307
249 HD21 LEU 29 1HD2 LEU 29 9.548 11.359 -5.867
250 HD22 LEU 29 2HD2 LEU 29 10.460 9.853 -5.973
251 HD23 LEU 29 3HD2 LEU 29 9.294 10.091 -4.672
252 H TRP 30 H TRP 30 6.206 7.728 -8.235
253 HA TRP 30 HA TRP 30 4.379 8.239 -10.257
254 HB2 TRP 30 2HB TRP 30 5.886 10.117 -10.894
255 HB3 TRP 30 1HB TRP 30 7.257 9.015 -10.913
256 HD1 TRP 30 HD TRP 30 7.821 7.988 -13.218
257 HE1 TRP 30 1HE TRP 30 6.626 7.782 -15.495
258 HE3 TRP 30 3HE TRP 30 3.258 9.862 -11.899
259 HZ2 TRP 30 2HZ TRP 30 4.065 8.339 -16.572
260 HZ3 TRP 30 3HZ TRP 30 1.488 9.984 -13.614
261 HH2 TRP 30 HH TRP 30 1.898 9.238 -15.895
Start of MODEL 10
1 H1 TYR 1 1HT TYR 1 -11.868 -1.020 1.886
2 H2 TYR 1 2HT TYR 1 -12.890 -0.626 3.154
3 H3 TYR 1 3HT TYR 1 -11.227 -0.446 3.333
4 HA TYR 1 HA TYR 1 -12.922 1.033 1.446
5 HB2 TYR 1 2HB TYR 1 -13.432 1.741 3.736
6 HB3 TYR 1 1HB TYR 1 -11.729 1.914 4.098
7 HD1 TYR 1 1HD TYR 1 -14.252 3.246 1.656
8 HD2 TYR 1 2HD TYR 1 -10.850 4.021 4.092
9 HE1 TYR 1 1HE TYR 1 -14.362 5.613 1.048
10 HE2 TYR 1 2HE TYR 1 -10.947 6.378 3.494
11 HH TYR 1 HH TYR 1 -13.631 7.771 1.963
12 H CYS 2 H CYS 2 -9.782 1.517 3.158
13 HA CYS 2 HA CYS 2 -8.338 1.420 0.731
14 HB2 CYS 2 2HB CYS 2 -9.523 3.679 0.559
15 HB3 CYS 2 1HB CYS 2 -8.630 4.150 2.005
16 H GLN 3 H GLN 3 -6.114 1.767 1.171
17 HA GLN 3 HA GLN 3 -5.447 1.497 4.014
18 HB2 GLN 3 2HB GLN 3 -3.907 0.477 1.623
19 HB3 GLN 3 1HB GLN 3 -3.380 0.345 3.284
20 HG2 GLN 3 2HG GLN 3 -5.765 -1.022 2.052
21 HG3 GLN 3 1HG GLN 3 -4.231 -1.770 2.478
22 HE21 GLN 3 1HE2 GLN 3 -3.729 -2.066 4.715
23 HE22 GLN 3 2HE2 GLN 3 -4.993 -2.037 5.882
24 H LYS 4 H LYS 4 -3.851 2.842 4.775
25 HA LYS 4 HA LYS 4 -3.089 5.029 3.002
26 HB2 LYS 4 2HB LYS 4 -2.789 4.720 5.995
27 HB3 LYS 4 1HB LYS 4 -2.385 6.164 5.075
28 HG2 LYS 4 2HG LYS 4 -4.726 6.442 4.454
29 HG3 LYS 4 1HG LYS 4 -5.137 4.964 5.322
30 HD2 LYS 4 2HD LYS 4 -4.414 5.970 7.418
31 HD3 LYS 4 1HD LYS 4 -3.936 7.439 6.569
32 HE2 LYS 4 2HE LYS 4 -6.743 6.327 6.707
33 HE3 LYS 4 1HE LYS 4 -6.125 7.655 7.681
34 HZ1 LYS 4 1HZ LYS 4 -5.743 8.909 5.635
35 HZ2 LYS 4 2HZ LYS 4 -7.362 8.499 5.786
36 HZ3 LYS 4 3HZ LYS 4 -6.388 7.663 4.710
37 H TRP 5 H TRP 5 -0.798 5.825 3.197
38 HA TRP 5 HA TRP 5 1.078 3.738 2.650
39 HB2 TRP 5 2HB TRP 5 2.735 5.541 2.410
40 HB3 TRP 5 1HB TRP 5 1.232 5.983 1.615
41 HD1 TRP 5 HD TRP 5 3.251 6.823 4.811
42 HE1 TRP 5 1HE TRP 5 2.544 9.132 5.642
43 HE3 TRP 5 3HE TRP 5 -0.544 7.746 1.501
44 HZ2 TRP 5 2HZ TRP 5 0.663 11.082 4.999
45 HZ3 TRP 5 3HZ TRP 5 -1.739 9.871 1.682
46 HH2 TRP 5 HH TRP 5 -1.151 11.514 3.389
47 H MET 6 H MET 6 0.020 5.145 5.430
48 HA MET 6 HA MET 6 2.372 4.574 7.047
49 HB2 MET 6 2HB MET 6 1.125 5.693 8.850
50 HB3 MET 6 1HB MET 6 1.167 6.682 7.396
51 HG2 MET 6 2HG MET 6 -1.098 5.861 6.833
52 HG3 MET 6 1HG MET 6 -1.145 5.036 8.386
53 HE1 MET 6 1HE MET 6 -1.011 8.480 6.525
54 HE2 MET 6 2HE MET 6 0.410 8.620 7.564
55 HE3 MET 6 3HE MET 6 -1.005 9.623 7.865
56 H TRP 7 H TRP 7 -0.018 2.840 5.763
57 HA TRP 7 HA TRP 7 -0.267 1.007 8.027
58 HB2 TRP 7 2HB TRP 7 -2.197 1.486 5.732
59 HB3 TRP 7 1HB TRP 7 -2.354 0.187 6.900
60 HD1 TRP 7 HD TRP 7 -1.383 2.820 9.089
61 HE1 TRP 7 1HE TRP 7 -3.393 4.136 10.022
62 HE3 TRP 7 3HE TRP 7 -4.942 1.241 5.833
63 HZ2 TRP 7 2HZ TRP 7 -6.131 4.456 9.437
64 HZ3 TRP 7 3HZ TRP 7 -7.232 2.090 6.069
65 HH2 TRP 7 HH TRP 7 -7.809 3.661 7.848
66 H THR 8 H THR 8 -1.062 -1.233 6.683
67 HA THR 8 HA THR 8 1.083 -1.661 4.770
68 HB THR 8 HB THR 8 1.504 -3.831 5.969
69 HG1 THR 8 1HG THR 8 -0.263 -4.207 7.160
70 HG21 THR 8 1HG2 THR 8 2.904 -1.812 6.472
71 HG22 THR 8 2HG2 THR 8 2.734 -2.886 7.854
72 HG23 THR 8 3HG2 THR 8 1.778 -1.407 7.764
73 H CYS 9 H CYS 9 0.596 -4.072 3.578
74 HA CYS 9 HA CYS 9 -2.311 -4.306 3.682
75 HB2 CYS 9 2HB CYS 9 -2.485 -4.605 1.315
76 HB3 CYS 9 1HB CYS 9 -1.616 -3.109 1.620
77 H ASP 10 H ASP 10 -2.859 -6.398 2.205
78 HA ASP 10 HA ASP 10 -1.218 -8.660 3.070
79 HB2 ASP 10 2HB ASP 10 -4.204 -8.375 3.633
80 HB3 ASP 10 1HB ASP 10 -3.228 -9.802 3.930
81 H SER 11 H SER 11 -3.052 -10.588 2.201
82 HA SER 11 HA SER 11 -3.218 -10.050 -0.618
83 HB2 SER 11 2HB SER 11 -4.283 -12.422 0.936
84 HB3 SER 11 1HB SER 11 -3.977 -12.345 -0.800
85 HG SER 11 HG SER 11 -1.839 -12.386 -0.462
86 H GLU 12 H GLU 12 -5.329 -10.169 2.171
87 HA GLU 12 HA GLU 12 -7.745 -9.894 0.648
88 HB2 GLU 12 2HB GLU 12 -8.844 -9.577 2.860
89 HB3 GLU 12 1HB GLU 12 -7.903 -11.050 2.749
90 HG2 GLU 12 2HG GLU 12 -6.114 -10.027 4.055
91 HG3 GLU 12 1HG GLU 12 -7.009 -8.515 4.107
92 H ARG 13 H ARG 13 -5.757 -7.731 2.576
93 HA ARG 13 HA ARG 13 -7.312 -5.428 1.653
94 HB2 ARG 13 2HB ARG 13 -5.144 -5.681 3.742
95 HB3 ARG 13 1HB ARG 13 -5.894 -4.162 3.276
96 HG2 ARG 13 2HG ARG 13 -8.032 -4.945 4.053
97 HG3 ARG 13 1HG ARG 13 -7.333 -6.519 4.439
98 HD2 ARG 13 2HD ARG 13 -6.496 -3.902 5.686
99 HD3 ARG 13 1HD ARG 13 -7.621 -5.061 6.397
100 HE ARG 13 HE ARG 13 -4.940 -6.051 5.742
101 HH11 ARG 13 1HH1 ARG 13 -7.127 -4.869 8.272
102 HH12 ARG 13 2HH1 ARG 13 -6.255 -5.634 9.520
103 HH21 ARG 13 1HH2 ARG 13 -3.832 -7.033 7.367
104 HH22 ARG 13 2HH2 ARG 13 -4.324 -6.944 9.010
105 H LYS 14 H LYS 14 -6.569 -4.517 -0.188
106 HA LYS 14 HA LYS 14 -3.690 -4.751 -0.692
107 HB2 LYS 14 2HB LYS 14 -4.136 -4.291 -3.019
108 HB3 LYS 14 1HB LYS 14 -5.173 -5.611 -2.506
109 HG2 LYS 14 2HG LYS 14 -7.071 -4.067 -2.335
110 HG3 LYS 14 1HG LYS 14 -6.020 -2.734 -2.794
111 HD2 LYS 14 2HD LYS 14 -6.615 -5.136 -4.527
112 HD3 LYS 14 1HD LYS 14 -7.409 -3.573 -4.671
113 HE2 LYS 14 2HE LYS 14 -4.440 -4.050 -5.005
114 HE3 LYS 14 1HE LYS 14 -5.587 -3.891 -6.321
115 HZ1 LYS 14 1HZ LYS 14 -6.053 -1.624 -5.574
116 HZ2 LYS 14 2HZ LYS 14 -4.413 -1.837 -5.916
117 HZ3 LYS 14 3HZ LYS 14 -4.924 -1.767 -4.330
118 H CYS 15 H CYS 15 -2.529 -2.876 -1.258
119 HA CYS 15 HA CYS 15 -3.407 -0.480 -0.029
120 HB2 CYS 15 2HB CYS 15 -1.173 -0.845 -2.046
121 HB3 CYS 15 1HB CYS 15 -1.376 0.517 -0.949
122 H CYS 16 H CYS 16 -3.853 1.545 -1.151
123 HA CYS 16 HA CYS 16 -5.696 1.044 -3.260
124 HB2 CYS 16 2HB CYS 16 -4.891 3.601 -1.876
125 HB3 CYS 16 1HB CYS 16 -6.235 3.445 -3.012
126 H LYS 17 H LYS 17 -5.779 2.396 -5.230
127 HA LYS 17 HA LYS 17 -3.502 1.964 -6.785
128 HB2 LYS 17 2HB LYS 17 -5.809 2.115 -7.657
129 HB3 LYS 17 1HB LYS 17 -5.826 3.833 -7.303
130 HG2 LYS 17 2HG LYS 17 -4.131 4.251 -8.949
131 HG3 LYS 17 1HG LYS 17 -3.926 2.525 -9.232
132 HD2 LYS 17 2HD LYS 17 -6.458 4.094 -9.764
133 HD3 LYS 17 1HD LYS 17 -5.286 3.622 -10.990
134 HE2 LYS 17 2HE LYS 17 -6.922 1.726 -9.277
135 HE3 LYS 17 1HE LYS 17 -7.223 2.121 -10.962
136 HZ1 LYS 17 1HZ LYS 17 -5.112 1.119 -11.556
137 HZ2 LYS 17 2HZ LYS 17 -6.042 0.006 -10.716
138 HZ3 LYS 17 3HZ LYS 17 -4.768 0.778 -9.949
139 H GLY 18 H GLY 18 -1.706 3.050 -6.971
140 HA2 GLY 18 2HA GLY 18 -0.503 5.145 -7.179
141 HA3 GLY 18 1HA GLY 18 -1.608 5.828 -5.986
142 H MET 19 H MET 19 -0.947 2.696 -5.177
143 HA MET 19 HA MET 19 1.492 3.229 -3.644
144 HB2 MET 19 2HB MET 19 -1.070 1.981 -2.614
145 HB3 MET 19 1HB MET 19 0.462 1.944 -1.761
146 HG2 MET 19 2HG MET 19 0.418 4.237 -1.404
147 HG3 MET 19 1HG MET 19 -0.977 4.488 -2.480
148 HE1 MET 19 1HE MET 19 -2.554 5.344 0.939
149 HE2 MET 19 2HE MET 19 -2.363 5.809 -0.750
150 HE3 MET 19 3HE MET 19 -0.964 5.791 0.323
151 H VAL 20 H VAL 20 2.553 1.221 -3.146
152 HA VAL 20 HA VAL 20 1.630 -0.962 -4.852
153 HB VAL 20 HB VAL 20 3.907 -0.182 -5.426
154 HG11 VAL 20 1HG1 VAL 20 4.646 0.685 -3.327
155 HG12 VAL 20 2HG1 VAL 20 5.804 -0.515 -3.911
156 HG13 VAL 20 3HG1 VAL 20 4.672 -0.931 -2.621
157 HG21 VAL 20 1HG2 VAL 20 3.426 -2.508 -5.827
158 HG22 VAL 20 2HG2 VAL 20 3.879 -2.918 -4.175
159 HG23 VAL 20 3HG2 VAL 20 5.104 -2.339 -5.303
160 H CYS 21 H CYS 21 1.215 -2.922 -4.008
161 HA CYS 21 HA CYS 21 0.700 -2.890 -1.161
162 HB2 CYS 21 2HB CYS 21 -1.074 -3.521 -2.789
163 HB3 CYS 21 1HB CYS 21 -0.102 -4.910 -3.250
164 H ARG 22 H ARG 22 2.307 -3.480 0.048
165 HA ARG 22 HA ARG 22 3.576 -6.051 -0.385
166 HB2 ARG 22 2HB ARG 22 4.998 -3.419 -0.112
167 HB3 ARG 22 1HB ARG 22 5.784 -4.949 0.250
168 HG2 ARG 22 2HG ARG 22 5.388 -5.738 -1.907
169 HG3 ARG 22 1HG ARG 22 4.509 -4.268 -2.365
170 HD2 ARG 22 2HD ARG 22 6.580 -3.011 -1.850
171 HD3 ARG 22 1HD ARG 22 7.380 -4.574 -1.607
172 HE ARG 22 HE ARG 22 6.103 -4.561 -4.091
173 HH11 ARG 22 1HH1 ARG 22 8.972 -3.196 -2.511
174 HH12 ARG 22 2HH1 ARG 22 9.813 -2.938 -3.958
175 HH21 ARG 22 1HH2 ARG 22 7.277 -4.218 -6.081
176 HH22 ARG 22 2HH2 ARG 22 8.841 -3.559 -6.036
177 H LEU 23 H LEU 23 5.434 -5.696 1.679
178 HA LEU 23 HA LEU 23 4.237 -6.412 4.023
179 HB2 LEU 23 2HB LEU 23 6.669 -6.475 3.675
180 HB3 LEU 23 1HB LEU 23 6.727 -4.728 3.725
181 HG LEU 23 HG LEU 23 6.050 -4.774 6.091
182 HD11 LEU 23 1HD1 LEU 23 6.071 -6.895 7.318
183 HD12 LEU 23 2HD1 LEU 23 6.223 -7.762 5.788
184 HD13 LEU 23 3HD1 LEU 23 4.773 -6.821 6.129
185 HD21 LEU 23 1HD2 LEU 23 8.150 -5.670 6.975
186 HD22 LEU 23 2HD2 LEU 23 8.408 -4.723 5.511
187 HD23 LEU 23 3HD2 LEU 23 8.441 -6.484 5.437
188 H TRP 24 H TRP 24 4.971 -3.141 2.913
189 HA TRP 24 HA TRP 24 2.806 -2.300 4.584
190 HB2 TRP 24 2HB TRP 24 3.897 -0.201 5.204
191 HB3 TRP 24 1HB TRP 24 4.896 -1.549 5.707
192 HD1 TRP 24 HD TRP 24 4.764 1.331 3.269
193 HE1 TRP 24 1HE TRP 24 7.182 1.834 2.418
194 HE3 TRP 24 3HE TRP 24 7.154 -2.671 5.300
195 HZ2 TRP 24 2HZ TRP 24 9.737 0.638 2.612
196 HZ3 TRP 24 3HZ TRP 24 9.575 -2.927 4.936
197 HH2 TRP 24 HH TRP 24 10.828 -1.306 3.622
198 H CYS 25 H CYS 25 1.948 -0.090 3.732
199 HA CYS 25 HA CYS 25 1.789 -0.357 0.872
200 HB2 CYS 25 2HB CYS 25 0.340 1.409 2.841
201 HB3 CYS 25 1HB CYS 25 0.149 1.573 1.096
202 H LYS 26 H LYS 26 3.151 0.550 -0.370
203 HA LYS 26 HA LYS 26 4.532 2.898 0.637
204 HB2 LYS 26 2HB LYS 26 5.993 0.989 0.206
205 HB3 LYS 26 1HB LYS 26 5.422 0.895 -1.447
206 HG2 LYS 26 2HG LYS 26 6.483 2.933 -2.019
207 HG3 LYS 26 1HG LYS 26 6.830 3.299 -0.329
208 HD2 LYS 26 2HD LYS 26 8.250 1.275 -0.232
209 HD3 LYS 26 1HD LYS 26 7.968 1.029 -1.956
210 HE2 LYS 26 2HE LYS 26 9.050 3.154 -2.449
211 HE3 LYS 26 1HE LYS 26 9.233 3.477 -0.731
212 HZ1 LYS 26 1HZ LYS 26 10.489 1.220 -2.192
213 HZ2 LYS 26 2HZ LYS 26 10.643 1.533 -0.558
214 HZ3 LYS 26 3HZ LYS 26 11.290 2.616 -1.667
215 H LYS 27 H LYS 27 4.119 4.683 -0.254
216 HA LYS 27 HA LYS 27 2.076 4.834 -2.262
217 HB2 LYS 27 2HB LYS 27 2.220 7.279 -1.898
218 HB3 LYS 27 1HB LYS 27 1.915 6.350 -0.434
219 HG2 LYS 27 2HG LYS 27 4.315 6.525 0.117
220 HG3 LYS 27 1HG LYS 27 4.534 7.558 -1.295
221 HD2 LYS 27 2HD LYS 27 3.032 9.200 -0.350
222 HD3 LYS 27 1HD LYS 27 2.687 8.136 1.017
223 HE2 LYS 27 2HE LYS 27 5.384 9.282 0.320
224 HE3 LYS 27 1HE LYS 27 4.320 9.878 1.596
225 HZ1 LYS 27 1HZ LYS 27 6.058 8.445 2.441
226 HZ2 LYS 27 2HZ LYS 27 5.583 7.171 1.498
227 HZ3 LYS 27 3HZ LYS 27 4.567 7.742 2.732
228 H LYS 28 H LYS 28 2.221 6.545 -3.917
229 HA LYS 28 HA LYS 28 4.206 5.864 -5.768
230 HB2 LYS 28 2HB LYS 28 2.074 6.346 -6.630
231 HB3 LYS 28 1HB LYS 28 1.968 7.861 -5.759
232 HG2 LYS 28 2HG LYS 28 3.664 8.836 -7.219
233 HG3 LYS 28 1HG LYS 28 3.815 7.306 -8.082
234 HD2 LYS 28 2HD LYS 28 1.169 8.697 -7.836
235 HD3 LYS 28 1HD LYS 28 2.330 9.156 -9.080
236 HE2 LYS 28 2HE LYS 28 1.376 6.325 -8.691
237 HE3 LYS 28 1HE LYS 28 0.554 7.475 -9.741
238 HZ1 LYS 28 1HZ LYS 28 2.485 7.660 -11.094
239 HZ2 LYS 28 2HZ LYS 28 2.213 6.006 -10.902
240 HZ3 LYS 28 3HZ LYS 28 3.436 6.775 -10.048
241 H LEU 29 H LEU 29 6.183 6.391 -5.088
242 HA LEU 29 HA LEU 29 6.810 9.251 -5.024
243 HB2 LEU 29 2HB LEU 29 8.566 6.839 -4.434
244 HB3 LEU 29 1HB LEU 29 9.168 8.474 -4.509
245 HG LEU 29 HG LEU 29 9.032 8.007 -2.253
246 HD11 LEU 29 1HD1 LEU 29 7.332 9.449 -1.311
247 HD12 LEU 29 2HD1 LEU 29 6.510 9.493 -2.868
248 HD13 LEU 29 3HD1 LEU 29 8.132 10.167 -2.711
249 HD21 LEU 29 1HD2 LEU 29 7.762 5.952 -2.302
250 HD22 LEU 29 2HD2 LEU 29 6.286 6.842 -2.668
251 HD23 LEU 29 3HD2 LEU 29 7.074 7.051 -1.104
252 H TRP 30 H TRP 30 6.099 7.119 -7.167
253 HA TRP 30 HA TRP 30 8.105 7.915 -9.166
254 HB2 TRP 30 2HB TRP 30 6.528 5.330 -9.182
255 HB3 TRP 30 1HB TRP 30 7.844 5.780 -10.245
256 HD1 TRP 30 HD TRP 30 10.335 5.420 -9.305
257 HE1 TRP 30 1HE TRP 30 11.231 3.969 -7.373
258 HE3 TRP 30 3HE TRP 30 5.944 4.555 -6.844
259 HZ2 TRP 30 2HZ TRP 30 10.201 2.640 -5.102
260 HZ3 TRP 30 3HZ TRP 30 5.980 3.190 -4.802
261 HH2 TRP 30 HH TRP 30 8.056 2.248 -3.959
Start of MODEL 11
1 H1 TYR 1 1HT TYR 1 -12.195 -0.970 2.169
2 H2 TYR 1 2HT TYR 1 -12.843 -0.082 3.471
3 H3 TYR 1 3HT TYR 1 -11.392 -0.949 3.629
4 HA TYR 1 HA TYR 1 -11.679 1.305 1.777
5 HB2 TYR 1 2HB TYR 1 -10.261 1.176 4.464
6 HB3 TYR 1 1HB TYR 1 -10.236 2.527 3.354
7 HD1 TYR 1 1HD TYR 1 -12.063 0.833 5.972
8 HD2 TYR 1 2HD TYR 1 -12.287 3.875 3.011
9 HE1 TYR 1 1HE TYR 1 -14.021 1.761 7.083
10 HE2 TYR 1 2HE TYR 1 -14.246 4.816 4.116
11 HH TYR 1 HH TYR 1 -15.199 3.823 7.226
12 H CYS 2 H CYS 2 -9.435 1.996 1.216
13 HA CYS 2 HA CYS 2 -7.829 -0.385 0.849
14 HB2 CYS 2 2HB CYS 2 -6.542 0.986 -0.768
15 HB3 CYS 2 1HB CYS 2 -8.244 0.886 -1.190
16 H GLN 3 H GLN 3 -5.594 -0.294 1.360
17 HA GLN 3 HA GLN 3 -5.176 1.035 3.857
18 HB2 GLN 3 2HB GLN 3 -3.307 -0.754 2.283
19 HB3 GLN 3 1HB GLN 3 -3.094 -0.220 3.934
20 HG2 GLN 3 2HG GLN 3 -5.469 -1.776 3.037
21 HG3 GLN 3 1HG GLN 3 -4.009 -2.538 3.654
22 HE21 GLN 3 1HE2 GLN 3 -3.480 -2.187 5.825
23 HE22 GLN 3 2HE2 GLN 3 -4.647 -1.679 6.994
24 H LYS 4 H LYS 4 -4.088 2.823 4.154
25 HA LYS 4 HA LYS 4 -3.104 4.265 1.864
26 HB2 LYS 4 2HB LYS 4 -3.188 5.063 4.784
27 HB3 LYS 4 1HB LYS 4 -2.931 6.137 3.410
28 HG2 LYS 4 2HG LYS 4 -5.161 5.685 2.588
29 HG3 LYS 4 1HG LYS 4 -5.430 4.532 3.888
30 HD2 LYS 4 2HD LYS 4 -5.165 6.390 5.516
31 HD3 LYS 4 1HD LYS 4 -5.048 7.518 4.157
32 HE2 LYS 4 2HE LYS 4 -7.250 6.775 3.379
33 HE3 LYS 4 1HE LYS 4 -7.364 5.682 4.753
34 HZ1 LYS 4 1HZ LYS 4 -8.603 7.622 5.172
35 HZ2 LYS 4 2HZ LYS 4 -7.341 8.646 4.804
36 HZ3 LYS 4 3HZ LYS 4 -7.274 7.692 6.206
37 H TRP 5 H TRP 5 -0.956 5.484 2.233
38 HA TRP 5 HA TRP 5 1.113 3.565 2.215
39 HB2 TRP 5 2HB TRP 5 2.664 5.371 1.950
40 HB3 TRP 5 1HB TRP 5 1.225 5.743 1.010
41 HD1 TRP 5 HD TRP 5 -0.471 7.569 2.209
42 HE1 TRP 5 1HE TRP 5 0.115 9.675 3.576
43 HE3 TRP 5 3HE TRP 5 4.269 6.349 3.595
44 HZ2 TRP 5 2HZ TRP 5 2.273 10.663 5.062
45 HZ3 TRP 5 3HZ TRP 5 5.522 7.917 5.011
46 HH2 TRP 5 HH TRP 5 4.540 10.027 5.727
47 H MET 6 H MET 6 -0.230 5.387 4.761
48 HA MET 6 HA MET 6 1.947 5.354 6.452
49 HB2 MET 6 2HB MET 6 0.130 6.876 6.779
50 HB3 MET 6 1HB MET 6 -0.992 5.553 7.062
51 HG2 MET 6 2HG MET 6 -0.482 6.586 9.116
52 HG3 MET 6 1HG MET 6 0.256 4.993 9.101
53 HE1 MET 6 1HE MET 6 1.706 5.767 11.225
54 HE2 MET 6 2HE MET 6 1.049 7.403 11.148
55 HE3 MET 6 3HE MET 6 2.792 7.156 11.214
56 H TRP 7 H TRP 7 -0.500 3.126 5.623
57 HA TRP 7 HA TRP 7 -0.072 1.355 7.904
58 HB2 TRP 7 2HB TRP 7 -2.235 1.328 5.790
59 HB3 TRP 7 1HB TRP 7 -2.176 0.264 7.181
60 HD1 TRP 7 HD TRP 7 -1.299 2.804 9.186
61 HE1 TRP 7 1HE TRP 7 -3.183 4.385 9.945
62 HE3 TRP 7 3HE TRP 7 -4.767 1.675 5.637
63 HZ2 TRP 7 2HZ TRP 7 -5.804 5.055 9.141
64 HZ3 TRP 7 3HZ TRP 7 -6.945 2.825 5.690
65 HH2 TRP 7 HH TRP 7 -7.449 4.478 7.417
66 H THR 8 H THR 8 -0.829 -1.041 6.796
67 HA THR 8 HA THR 8 1.250 -1.589 4.801
68 HB THR 8 HB THR 8 1.621 -3.780 5.983
69 HG1 THR 8 1HG THR 8 -0.156 -2.623 7.869
70 HG21 THR 8 1HG2 THR 8 3.055 -1.855 6.623
71 HG22 THR 8 2HG2 THR 8 2.743 -2.920 7.995
72 HG23 THR 8 3HG2 THR 8 1.856 -1.405 7.835
73 H CYS 9 H CYS 9 0.569 -3.858 3.537
74 HA CYS 9 HA CYS 9 -2.309 -4.125 3.837
75 HB2 CYS 9 2HB CYS 9 -2.585 -4.156 1.389
76 HB3 CYS 9 1HB CYS 9 -2.049 -2.598 2.011
77 H ASP 10 H ASP 10 -2.992 -6.002 2.158
78 HA ASP 10 HA ASP 10 -1.107 -8.199 2.456
79 HB2 ASP 10 2HB ASP 10 -3.938 -8.250 3.565
80 HB3 ASP 10 1HB ASP 10 -2.879 -9.642 3.453
81 H SER 11 H SER 11 -2.641 -10.243 1.568
82 HA SER 11 HA SER 11 -3.420 -9.477 -1.075
83 HB2 SER 11 2HB SER 11 -4.065 -11.909 -1.219
84 HB3 SER 11 1HB SER 11 -2.395 -11.651 -0.712
85 HG SER 11 HG SER 11 -4.628 -12.477 0.816
86 H GLU 12 H GLU 12 -4.862 -9.848 1.955
87 HA GLU 12 HA GLU 12 -7.586 -10.054 0.966
88 HB2 GLU 12 2HB GLU 12 -6.699 -9.679 3.817
89 HB3 GLU 12 1HB GLU 12 -8.211 -10.363 3.241
90 HG2 GLU 12 2HG GLU 12 -5.473 -11.614 3.060
91 HG3 GLU 12 1HG GLU 12 -6.810 -12.125 4.085
92 H ARG 13 H ARG 13 -5.591 -7.798 2.898
93 HA ARG 13 HA ARG 13 -7.569 -5.739 2.673
94 HB2 ARG 13 2HB ARG 13 -4.804 -5.695 3.841
95 HB3 ARG 13 1HB ARG 13 -6.062 -4.505 4.106
96 HG2 ARG 13 2HG ARG 13 -7.389 -6.567 5.035
97 HG3 ARG 13 1HG ARG 13 -5.770 -7.251 5.223
98 HD2 ARG 13 2HD ARG 13 -6.445 -6.103 7.252
99 HD3 ARG 13 1HD ARG 13 -5.106 -5.243 6.475
100 HE ARG 13 HE ARG 13 -7.257 -4.174 5.354
101 HH11 ARG 13 1HH1 ARG 13 -6.217 -4.448 8.731
102 HH12 ARG 13 2HH1 ARG 13 -7.086 -3.082 9.253
103 HH21 ARG 13 1HH2 ARG 13 -8.450 -2.354 6.070
104 HH22 ARG 13 2HH2 ARG 13 -8.430 -1.887 7.718
105 H LYS 14 H LYS 14 -7.596 -4.612 0.804
106 HA LYS 14 HA LYS 14 -5.259 -4.571 -0.882
107 HB2 LYS 14 2HB LYS 14 -6.623 -3.334 -2.507
108 HB3 LYS 14 1HB LYS 14 -7.436 -4.790 -1.960
109 HG2 LYS 14 2HG LYS 14 -8.935 -3.521 -0.586
110 HG3 LYS 14 1HG LYS 14 -8.019 -2.042 -0.869
111 HD2 LYS 14 2HD LYS 14 -10.066 -2.089 -2.222
112 HD3 LYS 14 1HD LYS 14 -8.628 -2.105 -3.239
113 HE2 LYS 14 2HE LYS 14 -8.862 -4.509 -3.551
114 HE3 LYS 14 1HE LYS 14 -10.266 -4.526 -2.488
115 HZ1 LYS 14 1HZ LYS 14 -11.410 -3.088 -4.082
116 HZ2 LYS 14 2HZ LYS 14 -10.942 -4.540 -4.769
117 HZ3 LYS 14 3HZ LYS 14 -10.081 -3.140 -5.119
118 H CYS 15 H CYS 15 -3.989 -2.910 -1.320
119 HA CYS 15 HA CYS 15 -3.986 -0.661 0.502
120 HB2 CYS 15 2HB CYS 15 -1.922 -2.006 -0.141
121 HB3 CYS 15 1HB CYS 15 -2.089 -1.318 -1.747
122 H CYS 16 H CYS 16 -3.764 1.525 -0.372
123 HA CYS 16 HA CYS 16 -5.676 2.033 -2.397
124 HB2 CYS 16 2HB CYS 16 -3.675 3.886 -1.094
125 HB3 CYS 16 1HB CYS 16 -5.008 4.389 -2.123
126 H LYS 17 H LYS 17 -5.413 2.626 -4.449
127 HA LYS 17 HA LYS 17 -2.989 1.710 -5.628
128 HB2 LYS 17 2HB LYS 17 -5.507 2.798 -6.878
129 HB3 LYS 17 1HB LYS 17 -4.176 2.060 -7.768
130 HG2 LYS 17 2HG LYS 17 -4.500 -0.030 -6.541
131 HG3 LYS 17 1HG LYS 17 -5.823 0.700 -5.644
132 HD2 LYS 17 2HD LYS 17 -6.702 -0.695 -7.387
133 HD3 LYS 17 1HD LYS 17 -7.044 0.989 -7.768
134 HE2 LYS 17 2HE LYS 17 -5.251 1.047 -9.373
135 HE3 LYS 17 1HE LYS 17 -4.724 -0.568 -8.899
136 HZ1 LYS 17 1HZ LYS 17 -6.704 -1.494 -9.761
137 HZ2 LYS 17 2HZ LYS 17 -6.092 -0.466 -10.976
138 HZ3 LYS 17 3HZ LYS 17 -7.396 0.009 -10.018
139 H GLY 18 H GLY 18 -1.510 2.856 -6.670
140 HA2 GLY 18 2HA GLY 18 -0.569 4.985 -7.325
141 HA3 GLY 18 1HA GLY 18 -1.524 5.728 -6.032
142 H MET 19 H MET 19 -0.992 3.184 -4.456
143 HA MET 19 HA MET 19 1.784 3.704 -3.676
144 HB2 MET 19 2HB MET 19 -0.497 2.439 -2.127
145 HB3 MET 19 1HB MET 19 1.172 2.357 -1.611
146 HG2 MET 19 2HG MET 19 0.272 4.019 -0.331
147 HG3 MET 19 1HG MET 19 1.112 4.882 -1.596
148 HE1 MET 19 1HE MET 19 -0.257 7.099 -0.872
149 HE2 MET 19 2HE MET 19 -1.169 6.173 0.320
150 HE3 MET 19 3HE MET 19 -2.018 7.184 -0.849
151 H VAL 20 H VAL 20 2.789 1.616 -2.845
152 HA VAL 20 HA VAL 20 2.152 -0.551 -4.746
153 HB VAL 20 HB VAL 20 4.663 -0.307 -3.070
154 HG11 VAL 20 1HG1 VAL 20 4.223 -2.528 -3.863
155 HG12 VAL 20 2HG1 VAL 20 5.635 -1.858 -4.677
156 HG13 VAL 20 3HG1 VAL 20 4.090 -1.942 -5.521
157 HG21 VAL 20 1HG2 VAL 20 5.833 0.561 -5.028
158 HG22 VAL 20 2HG2 VAL 20 4.543 1.657 -4.527
159 HG23 VAL 20 3HG2 VAL 20 4.317 0.600 -5.922
160 H CYS 21 H CYS 21 1.172 -2.282 -3.890
161 HA CYS 21 HA CYS 21 0.872 -2.421 -1.033
162 HB2 CYS 21 2HB CYS 21 -1.026 -2.878 -2.635
163 HB3 CYS 21 1HB CYS 21 -0.181 -4.347 -3.103
164 H ARG 22 H ARG 22 2.163 -3.477 0.213
165 HA ARG 22 HA ARG 22 3.334 -6.009 -0.497
166 HB2 ARG 22 2HB ARG 22 4.912 -3.510 0.034
167 HB3 ARG 22 1HB ARG 22 5.600 -5.039 0.482
168 HG2 ARG 22 2HG ARG 22 4.872 -4.124 -2.279
169 HG3 ARG 22 1HG ARG 22 6.459 -4.296 -1.481
170 HD2 ARG 22 2HD ARG 22 6.093 -6.175 -3.024
171 HD3 ARG 22 1HD ARG 22 6.178 -6.702 -1.351
172 HE ARG 22 HE ARG 22 3.522 -6.247 -2.400
173 HH11 ARG 22 1HH1 ARG 22 6.074 -8.649 -1.792
174 HH12 ARG 22 2HH1 ARG 22 5.011 -9.983 -1.858
175 HH21 ARG 22 1HH2 ARG 22 2.097 -8.136 -2.513
176 HH22 ARG 22 2HH2 ARG 22 2.750 -9.694 -2.319
177 H LEU 23 H LEU 23 5.101 -5.978 1.629
178 HA LEU 23 HA LEU 23 3.550 -6.679 3.862
179 HB2 LEU 23 2HB LEU 23 5.881 -7.413 3.503
180 HB3 LEU 23 1HB LEU 23 6.447 -5.785 3.794
181 HG LEU 23 HG LEU 23 5.642 -5.970 6.132
182 HD11 LEU 23 1HD1 LEU 23 5.093 -8.839 5.394
183 HD12 LEU 23 2HD1 LEU 23 3.894 -7.623 5.844
184 HD13 LEU 23 3HD1 LEU 23 5.076 -8.177 7.027
185 HD21 LEU 23 1HD2 LEU 23 7.563 -8.118 5.251
186 HD22 LEU 23 2HD2 LEU 23 7.416 -7.469 6.886
187 HD23 LEU 23 3HD2 LEU 23 7.963 -6.432 5.570
188 H TRP 24 H TRP 24 4.556 -3.613 2.709
189 HA TRP 24 HA TRP 24 2.972 -2.373 4.734
190 HB2 TRP 24 2HB TRP 24 4.550 -0.643 5.239
191 HB3 TRP 24 1HB TRP 24 5.479 -2.129 5.333
192 HD1 TRP 24 HD TRP 24 5.335 1.156 3.682
193 HE1 TRP 24 1HE TRP 24 7.273 1.428 1.963
194 HE3 TRP 24 3HE TRP 24 6.936 -3.665 3.532
195 HZ2 TRP 24 2HZ TRP 24 9.197 -0.220 0.726
196 HZ3 TRP 24 3HZ TRP 24 8.821 -4.249 2.053
197 HH2 TRP 24 HH TRP 24 9.920 -2.557 0.685
198 H CYS 25 H CYS 25 2.224 -0.176 3.792
199 HA CYS 25 HA CYS 25 2.074 -0.417 0.921
200 HB2 CYS 25 2HB CYS 25 0.691 1.342 2.925
201 HB3 CYS 25 1HB CYS 25 0.664 1.727 1.208
202 H LYS 26 H LYS 26 3.421 0.507 -0.333
203 HA LYS 26 HA LYS 26 5.314 2.400 0.812
204 HB2 LYS 26 2HB LYS 26 6.243 0.508 -0.454
205 HB3 LYS 26 1HB LYS 26 5.310 1.009 -1.861
206 HG2 LYS 26 2HG LYS 26 6.548 3.160 -1.853
207 HG3 LYS 26 1HG LYS 26 7.565 2.513 -0.570
208 HD2 LYS 26 2HD LYS 26 8.325 0.738 -2.029
209 HD3 LYS 26 1HD LYS 26 7.245 1.302 -3.310
210 HE2 LYS 26 2HE LYS 26 8.419 3.446 -3.348
211 HE3 LYS 26 1HE LYS 26 9.511 2.876 -2.093
212 HZ1 LYS 26 1HZ LYS 26 9.234 1.802 -4.838
213 HZ2 LYS 26 2HZ LYS 26 10.199 1.103 -3.652
214 HZ3 LYS 26 3HZ LYS 26 10.553 2.645 -4.217
215 H LYS 27 H LYS 27 4.979 4.471 0.558
216 HA LYS 27 HA LYS 27 3.063 5.561 -1.222
217 HB2 LYS 27 2HB LYS 27 3.954 7.740 -0.590
218 HB3 LYS 27 1HB LYS 27 3.744 6.744 0.831
219 HG2 LYS 27 2HG LYS 27 6.163 6.252 0.814
220 HG3 LYS 27 1HG LYS 27 6.342 7.298 -0.590
221 HD2 LYS 27 2HD LYS 27 5.390 8.151 2.152
222 HD3 LYS 27 1HD LYS 27 6.993 8.428 1.485
223 HE2 LYS 27 2HE LYS 27 4.404 9.563 0.412
224 HE3 LYS 27 1HE LYS 27 5.595 10.429 1.369
225 HZ1 LYS 27 1HZ LYS 27 5.982 9.360 -1.382
226 HZ2 LYS 27 2HZ LYS 27 7.211 10.015 -0.448
227 HZ3 LYS 27 3HZ LYS 27 5.916 10.975 -0.909
228 H LYS 28 H LYS 28 3.398 6.709 -3.079
229 HA LYS 28 HA LYS 28 4.196 7.192 -5.111
230 HB2 LYS 28 2HB LYS 28 6.021 8.311 -3.830
231 HB3 LYS 28 1HB LYS 28 6.938 6.822 -3.874
232 HG2 LYS 28 2HG LYS 28 7.251 7.019 -6.240
233 HG3 LYS 28 1HG LYS 28 6.138 8.395 -6.305
234 HD2 LYS 28 2HD LYS 28 7.626 9.670 -4.832
235 HD3 LYS 28 1HD LYS 28 8.748 8.315 -4.792
236 HE2 LYS 28 2HE LYS 28 7.927 9.758 -7.301
237 HE3 LYS 28 1HE LYS 28 9.353 10.169 -6.362
238 HZ1 LYS 28 1HZ LYS 28 10.231 7.985 -6.780
239 HZ2 LYS 28 2HZ LYS 28 9.836 8.741 -8.244
240 HZ3 LYS 28 3HZ LYS 28 8.857 7.525 -7.644
241 H LEU 29 H LEU 29 3.414 5.668 -6.279
242 HA LEU 29 HA LEU 29 3.772 2.958 -6.246
243 HB2 LEU 29 2HB LEU 29 1.952 4.131 -7.374
244 HB3 LEU 29 1HB LEU 29 3.062 4.709 -8.593
245 HG LEU 29 HG LEU 29 3.400 2.377 -9.355
246 HD11 LEU 29 1HD1 LEU 29 1.230 1.731 -7.362
247 HD12 LEU 29 2HD1 LEU 29 2.909 1.195 -7.288
248 HD13 LEU 29 3HD1 LEU 29 1.861 0.633 -8.588
249 HD21 LEU 29 1HD2 LEU 29 0.536 3.301 -9.264
250 HD22 LEU 29 2HD2 LEU 29 1.203 2.126 -10.398
251 HD23 LEU 29 3HD2 LEU 29 1.757 3.800 -10.433
252 H TRP 30 H TRP 30 5.572 5.302 -8.201
253 HA TRP 30 HA TRP 30 7.814 3.561 -8.322
254 HB2 TRP 30 2HB TRP 30 6.290 2.706 -10.181
255 HB3 TRP 30 1HB TRP 30 6.497 4.271 -10.952
256 HD1 TRP 30 HD TRP 30 8.817 4.717 -12.195
257 HE1 TRP 30 1HE TRP 30 10.702 3.163 -12.946
258 HE3 TRP 30 3HE TRP 30 7.605 0.619 -9.417
259 HZ2 TRP 30 2HZ TRP 30 11.579 0.508 -12.410
260 HZ3 TRP 30 3HZ TRP 30 9.024 -1.386 -9.596
261 HH2 TRP 30 HH TRP 30 10.962 -1.429 -11.068
Start of MODEL 12
1 H1 TYR 1 1HT TYR 1 -12.591 0.842 1.826
2 H2 TYR 1 2HT TYR 1 -13.244 1.520 3.220
3 H3 TYR 1 3HT TYR 1 -12.216 0.163 3.308
4 HA TYR 1 HA TYR 1 -11.412 2.826 2.337
5 HB2 TYR 1 2HB TYR 1 -10.719 1.370 4.904
6 HB3 TYR 1 1HB TYR 1 -9.980 2.864 4.372
7 HD1 TYR 1 1HD TYR 1 -13.050 1.340 5.727
8 HD2 TYR 1 2HD TYR 1 -11.110 4.978 4.664
9 HE1 TYR 1 1HE TYR 1 -14.751 2.595 6.943
10 HE2 TYR 1 2HE TYR 1 -12.813 6.246 5.878
11 HH TYR 1 HH TYR 1 -14.999 4.786 8.024
12 H CYS 2 H CYS 2 -9.260 2.894 1.668
13 HA CYS 2 HA CYS 2 -8.127 0.291 1.008
14 HB2 CYS 2 2HB CYS 2 -6.614 1.659 -0.444
15 HB3 CYS 2 1HB CYS 2 -8.316 1.779 -0.870
16 H GLN 3 H GLN 3 -5.690 0.157 1.289
17 HA GLN 3 HA GLN 3 -5.113 1.091 3.917
18 HB2 GLN 3 2HB GLN 3 -3.377 -0.508 2.045
19 HB3 GLN 3 1HB GLN 3 -3.065 -0.214 3.739
20 HG2 GLN 3 2HG GLN 3 -5.412 -1.730 2.649
21 HG3 GLN 3 1HG GLN 3 -3.971 -2.445 3.363
22 HE21 GLN 3 1HE2 GLN 3 -3.652 -2.221 5.583
23 HE22 GLN 3 2HE2 GLN 3 -4.963 -1.826 6.649
24 H LYS 4 H LYS 4 -4.177 2.958 4.316
25 HA LYS 4 HA LYS 4 -3.127 4.586 2.233
26 HB2 LYS 4 2HB LYS 4 -3.130 4.960 5.226
27 HB3 LYS 4 1HB LYS 4 -2.450 6.130 4.112
28 HG2 LYS 4 2HG LYS 4 -4.718 6.287 3.058
29 HG3 LYS 4 1HG LYS 4 -5.320 5.293 4.395
30 HD2 LYS 4 2HD LYS 4 -4.564 6.941 6.003
31 HD3 LYS 4 1HD LYS 4 -3.849 7.911 4.720
32 HE2 LYS 4 2HE LYS 4 -5.947 8.893 5.373
33 HE3 LYS 4 1HE LYS 4 -6.099 8.219 3.759
34 HZ1 LYS 4 1HZ LYS 4 -7.186 6.286 4.729
35 HZ2 LYS 4 2HZ LYS 4 -8.021 7.700 5.061
36 HZ3 LYS 4 3HZ LYS 4 -7.085 6.977 6.270
37 H TRP 5 H TRP 5 -1.023 5.781 2.787
38 HA TRP 5 HA TRP 5 1.141 4.054 2.288
39 HB2 TRP 5 2HB TRP 5 2.494 6.091 2.392
40 HB3 TRP 5 1HB TRP 5 1.012 6.388 1.499
41 HD1 TRP 5 HD TRP 5 2.819 7.374 4.714
42 HE1 TRP 5 1HE TRP 5 1.644 9.400 5.780
43 HE3 TRP 5 3HE TRP 5 -1.330 7.603 1.704
44 HZ2 TRP 5 2HZ TRP 5 -0.722 10.887 5.404
45 HZ3 TRP 5 3HZ TRP 5 -2.986 9.353 2.144
46 HH2 TRP 5 HH TRP 5 -2.684 10.958 3.954
47 H MET 6 H MET 6 -0.239 5.305 5.123
48 HA MET 6 HA MET 6 2.027 4.832 6.846
49 HB2 MET 6 2HB MET 6 0.574 6.763 7.172
50 HB3 MET 6 1HB MET 6 -0.806 5.710 7.408
51 HG2 MET 6 2HG MET 6 0.113 4.864 9.441
52 HG3 MET 6 1HG MET 6 1.613 5.742 9.156
53 HE1 MET 6 1HE MET 6 0.509 8.599 8.101
54 HE2 MET 6 2HE MET 6 1.804 8.408 9.280
55 HE3 MET 6 3HE MET 6 0.451 9.484 9.626
56 H TRP 7 H TRP 7 -0.527 3.090 5.606
57 HA TRP 7 HA TRP 7 -0.496 1.194 7.823
58 HB2 TRP 7 2HB TRP 7 -2.535 1.568 5.623
59 HB3 TRP 7 1HB TRP 7 -2.558 0.201 6.729
60 HD1 TRP 7 HD TRP 7 -1.632 2.357 9.218
61 HE1 TRP 7 1HE TRP 7 -3.547 3.646 10.324
62 HE3 TRP 7 3HE TRP 7 -5.185 1.775 5.604
63 HZ2 TRP 7 2HZ TRP 7 -6.219 4.319 9.743
64 HZ3 TRP 7 3HZ TRP 7 -7.403 2.771 5.954
65 HH2 TRP 7 HH TRP 7 -7.909 4.018 7.990
66 H THR 8 H THR 8 -1.178 -1.138 6.702
67 HA THR 8 HA THR 8 1.021 -1.655 4.859
68 HB THR 8 HB THR 8 1.427 -3.759 6.186
69 HG1 THR 8 1HG THR 8 0.445 -3.946 8.192
70 HG21 THR 8 1HG2 THR 8 2.502 -2.699 8.126
71 HG22 THR 8 2HG2 THR 8 1.560 -1.234 7.858
72 HG23 THR 8 3HG2 THR 8 2.772 -1.720 6.682
73 H CYS 9 H CYS 9 0.577 -3.947 3.596
74 HA CYS 9 HA CYS 9 -2.282 -4.482 3.745
75 HB2 CYS 9 2HB CYS 9 -2.402 -4.700 1.327
76 HB3 CYS 9 1HB CYS 9 -1.864 -3.083 1.772
77 H ASP 10 H ASP 10 -2.674 -6.551 2.272
78 HA ASP 10 HA ASP 10 -0.637 -8.567 2.740
79 HB2 ASP 10 2HB ASP 10 -3.424 -8.736 3.909
80 HB3 ASP 10 1HB ASP 10 -2.247 -10.039 3.938
81 H SER 11 H SER 11 -2.474 -10.714 2.276
82 HA SER 11 HA SER 11 -2.737 -10.580 -0.486
83 HB2 SER 11 2HB SER 11 -4.073 -12.490 1.443
84 HB3 SER 11 1HB SER 11 -3.821 -12.745 -0.281
85 HG SER 11 HG SER 11 -2.237 -13.792 0.833
86 H GLU 12 H GLU 12 -5.131 -10.156 2.109
87 HA GLU 12 HA GLU 12 -7.153 -9.665 0.092
88 HB2 GLU 12 2HB GLU 12 -7.446 -9.681 3.100
89 HB3 GLU 12 1HB GLU 12 -8.748 -9.471 1.950
90 HG2 GLU 12 2HG GLU 12 -7.006 -11.907 2.169
91 HG3 GLU 12 1HG GLU 12 -8.633 -11.745 2.826
92 H ARG 13 H ARG 13 -5.814 -7.812 2.841
93 HA ARG 13 HA ARG 13 -7.180 -5.432 2.183
94 HB2 ARG 13 2HB ARG 13 -4.609 -5.781 3.737
95 HB3 ARG 13 1HB ARG 13 -5.471 -4.259 3.596
96 HG2 ARG 13 2HG ARG 13 -7.432 -5.319 4.672
97 HG3 ARG 13 1HG ARG 13 -6.484 -6.780 4.909
98 HD2 ARG 13 2HD ARG 13 -5.874 -4.046 6.022
99 HD3 ARG 13 1HD ARG 13 -6.512 -5.413 6.929
100 HE ARG 13 HE ARG 13 -4.133 -6.293 5.845
101 HH11 ARG 13 1HH1 ARG 13 -5.090 -3.745 8.109
102 HH12 ARG 13 2HH1 ARG 13 -3.563 -3.688 8.870
103 HH21 ARG 13 1HH2 ARG 13 -2.153 -6.224 6.896
104 HH22 ARG 13 2HH2 ARG 13 -1.846 -5.137 8.198
105 H LYS 14 H LYS 14 -6.935 -4.019 0.625
106 HA LYS 14 HA LYS 14 -4.512 -4.128 -1.022
107 HB2 LYS 14 2HB LYS 14 -5.884 -3.109 -2.791
108 HB3 LYS 14 1HB LYS 14 -6.580 -4.623 -2.234
109 HG2 LYS 14 2HG LYS 14 -8.222 -3.390 -0.897
110 HG3 LYS 14 1HG LYS 14 -7.501 -1.871 -1.407
111 HD2 LYS 14 2HD LYS 14 -8.801 -3.889 -3.245
112 HD3 LYS 14 1HD LYS 14 -9.563 -2.414 -2.655
113 HE2 LYS 14 2HE LYS 14 -7.749 -1.106 -3.749
114 HE3 LYS 14 1HE LYS 14 -7.118 -2.613 -4.410
115 HZ1 LYS 14 1HZ LYS 14 -8.474 -1.510 -6.039
116 HZ2 LYS 14 2HZ LYS 14 -9.761 -1.401 -4.990
117 HZ3 LYS 14 3HZ LYS 14 -9.277 -2.908 -5.565
118 H CYS 15 H CYS 15 -3.417 -2.242 -1.548
119 HA CYS 15 HA CYS 15 -3.674 -0.032 0.284
120 HB2 CYS 15 2HB CYS 15 -1.838 -0.334 -2.100
121 HB3 CYS 15 1HB CYS 15 -1.686 0.829 -0.793
122 H CYS 16 H CYS 16 -3.691 2.151 -0.519
123 HA CYS 16 HA CYS 16 -5.884 2.614 -2.241
124 HB2 CYS 16 2HB CYS 16 -3.752 4.560 -1.350
125 HB3 CYS 16 1HB CYS 16 -5.336 4.972 -2.005
126 H LYS 17 H LYS 17 -5.938 3.687 -4.278
127 HA LYS 17 HA LYS 17 -4.329 2.599 -6.266
128 HB2 LYS 17 2HB LYS 17 -6.543 3.454 -6.741
129 HB3 LYS 17 1HB LYS 17 -6.064 5.073 -6.271
130 HG2 LYS 17 2HG LYS 17 -6.227 4.924 -8.679
131 HG3 LYS 17 1HG LYS 17 -4.552 5.176 -8.204
132 HD2 LYS 17 2HD LYS 17 -4.097 2.795 -8.536
133 HD3 LYS 17 1HD LYS 17 -5.784 2.536 -8.991
134 HE2 LYS 17 2HE LYS 17 -5.508 4.084 -10.876
135 HE3 LYS 17 1HE LYS 17 -3.825 4.330 -10.420
136 HZ1 LYS 17 1HZ LYS 17 -4.110 2.741 -12.233
137 HZ2 LYS 17 2HZ LYS 17 -5.001 1.734 -11.238
138 HZ3 LYS 17 3HZ LYS 17 -3.372 2.023 -10.907
139 H GLY 18 H GLY 18 -2.298 3.000 -6.783
140 HA2 GLY 18 2HA GLY 18 -0.630 4.546 -7.541
141 HA3 GLY 18 1HA GLY 18 -1.261 5.724 -6.393
142 H MET 19 H MET 19 -1.151 2.597 -5.133
143 HA MET 19 HA MET 19 1.520 3.013 -3.999
144 HB2 MET 19 2HB MET 19 -0.972 2.009 -2.603
145 HB3 MET 19 1HB MET 19 0.643 1.973 -1.907
146 HG2 MET 19 2HG MET 19 0.769 4.307 -1.876
147 HG3 MET 19 1HG MET 19 -0.743 4.495 -2.781
148 HE1 MET 19 1HE MET 19 -0.369 6.208 -0.283
149 HE2 MET 19 2HE MET 19 -1.875 5.919 0.593
150 HE3 MET 19 3HE MET 19 -1.895 6.088 -1.161
151 H VAL 20 H VAL 20 2.538 1.006 -3.353
152 HA VAL 20 HA VAL 20 1.540 -1.237 -4.948
153 HB VAL 20 HB VAL 20 3.808 -2.186 -4.919
154 HG11 VAL 20 1HG1 VAL 20 3.246 -0.698 -6.747
155 HG12 VAL 20 2HG1 VAL 20 4.957 -0.582 -6.336
156 HG13 VAL 20 3HG1 VAL 20 3.840 0.678 -5.816
157 HG21 VAL 20 1HG2 VAL 20 4.624 0.306 -3.433
158 HG22 VAL 20 2HG2 VAL 20 5.724 -0.934 -4.046
159 HG23 VAL 20 3HG2 VAL 20 4.571 -1.326 -2.767
160 H CYS 21 H CYS 21 1.373 -3.217 -4.015
161 HA CYS 21 HA CYS 21 0.941 -3.074 -1.161
162 HB2 CYS 21 2HB CYS 21 -0.794 -3.988 -2.786
163 HB3 CYS 21 1HB CYS 21 0.271 -5.369 -3.018
164 H ARG 22 H ARG 22 1.990 -4.264 0.307
165 HA ARG 22 HA ARG 22 3.758 -6.389 -0.137
166 HB2 ARG 22 2HB ARG 22 5.030 -4.351 -1.056
167 HB3 ARG 22 1HB ARG 22 5.030 -3.737 0.585
168 HG2 ARG 22 2HG ARG 22 6.401 -5.531 1.347
169 HG3 ARG 22 1HG ARG 22 6.229 -6.387 -0.193
170 HD2 ARG 22 2HD ARG 22 7.374 -4.648 -1.314
171 HD3 ARG 22 1HD ARG 22 7.475 -3.695 0.176
172 HE ARG 22 HE ARG 22 8.641 -6.163 0.664
173 HH11 ARG 22 1HH1 ARG 22 9.322 -3.430 -1.488
174 HH12 ARG 22 2HH1 ARG 22 11.011 -3.616 -1.441
175 HH21 ARG 22 1HH2 ARG 22 10.981 -6.453 0.697
176 HH22 ARG 22 2HH2 ARG 22 11.965 -5.380 -0.174
177 H LEU 23 H LEU 23 5.147 -6.323 2.189
178 HA LEU 23 HA LEU 23 3.515 -6.637 4.329
179 HB2 LEU 23 2HB LEU 23 6.349 -5.623 4.338
180 HB3 LEU 23 1HB LEU 23 5.505 -6.167 5.770
181 HG LEU 23 HG LEU 23 6.201 -7.865 3.376
182 HD11 LEU 23 1HD1 LEU 23 8.148 -7.263 4.692
183 HD12 LEU 23 2HD1 LEU 23 7.750 -8.968 4.922
184 HD13 LEU 23 3HD1 LEU 23 7.334 -7.789 6.165
185 HD21 LEU 23 1HD2 LEU 23 5.434 -9.742 4.764
186 HD22 LEU 23 2HD2 LEU 23 4.126 -8.621 4.413
187 HD23 LEU 23 3HD2 LEU 23 4.899 -8.606 6.001
188 H TRP 24 H TRP 24 4.598 -3.605 3.016
189 HA TRP 24 HA TRP 24 2.736 -2.335 4.774
190 HB2 TRP 24 2HB TRP 24 4.190 -0.476 5.268
191 HB3 TRP 24 1HB TRP 24 5.100 -1.933 5.629
192 HD1 TRP 24 HD TRP 24 5.055 1.089 3.520
193 HE1 TRP 24 1HE TRP 24 7.250 1.259 2.108
194 HE3 TRP 24 3HE TRP 24 6.907 -3.541 4.430
195 HZ2 TRP 24 2HZ TRP 24 9.448 -0.419 1.487
196 HZ3 TRP 24 3HZ TRP 24 9.047 -4.210 3.401
197 HH2 TRP 24 HH TRP 24 10.285 -2.672 1.962
198 H CYS 25 H CYS 25 1.971 -0.211 3.671
199 HA CYS 25 HA CYS 25 1.960 -0.644 0.808
200 HB2 CYS 25 2HB CYS 25 0.400 1.265 2.558
201 HB3 CYS 25 1HB CYS 25 0.298 1.260 0.801
202 H LYS 26 H LYS 26 3.102 0.443 -0.567
203 HA LYS 26 HA LYS 26 4.600 2.774 0.410
204 HB2 LYS 26 2HB LYS 26 6.094 0.872 0.139
205 HB3 LYS 26 1HB LYS 26 5.490 0.596 -1.488
206 HG2 LYS 26 2HG LYS 26 6.420 2.688 -2.227
207 HG3 LYS 26 1HG LYS 26 6.947 3.065 -0.597
208 HD2 LYS 26 2HD LYS 26 8.838 2.259 -1.904
209 HD3 LYS 26 1HD LYS 26 8.427 1.045 -0.691
210 HE2 LYS 26 2HE LYS 26 7.230 -0.251 -2.336
211 HE3 LYS 26 1HE LYS 26 7.487 0.998 -3.550
212 HZ1 LYS 26 1HZ LYS 26 9.869 0.549 -3.407
213 HZ2 LYS 26 2HZ LYS 26 8.989 -0.807 -3.850
214 HZ3 LYS 26 3HZ LYS 26 9.591 -0.687 -2.292
215 H LYS 27 H LYS 27 4.725 4.512 -0.988
216 HA LYS 27 HA LYS 27 2.606 4.716 -2.892
217 HB2 LYS 27 2HB LYS 27 4.898 6.600 -2.396
218 HB3 LYS 27 1HB LYS 27 3.438 6.965 -3.290
219 HG2 LYS 27 2HG LYS 27 2.083 6.729 -1.302
220 HG3 LYS 27 1HG LYS 27 3.500 6.257 -0.364
221 HD2 LYS 27 2HD LYS 27 4.507 8.452 -0.797
222 HD3 LYS 27 1HD LYS 27 3.079 8.914 -1.725
223 HE2 LYS 27 2HE LYS 27 1.692 8.665 0.255
224 HE3 LYS 27 1HE LYS 27 3.087 8.135 1.187
225 HZ1 LYS 27 1HZ LYS 27 4.088 10.309 0.864
226 HZ2 LYS 27 2HZ LYS 27 2.570 10.450 1.576
227 HZ3 LYS 27 3HZ LYS 27 2.753 10.804 -0.057
228 H LYS 28 H LYS 28 2.681 4.692 -5.027
229 HA LYS 28 HA LYS 28 5.149 3.731 -6.266
230 HB2 LYS 28 2HB LYS 28 3.007 2.386 -6.515
231 HB3 LYS 28 1HB LYS 28 2.330 3.748 -7.379
232 HG2 LYS 28 2HG LYS 28 4.062 3.510 -9.109
233 HG3 LYS 28 1HG LYS 28 4.710 2.120 -8.243
234 HD2 LYS 28 2HD LYS 28 2.540 0.971 -8.497
235 HD3 LYS 28 1HD LYS 28 1.935 2.346 -9.419
236 HE2 LYS 28 2HE LYS 28 3.687 1.979 -11.104
237 HE3 LYS 28 1HE LYS 28 4.283 0.604 -10.178
238 HZ1 LYS 28 1HZ LYS 28 2.886 -0.100 -12.003
239 HZ2 LYS 28 2HZ LYS 28 1.594 0.813 -11.422
240 HZ3 LYS 28 3HZ LYS 28 2.162 -0.506 -10.539
241 H LEU 29 H LEU 29 6.124 5.730 -6.386
242 HA LEU 29 HA LEU 29 4.771 7.724 -8.062
243 HB2 LEU 29 2HB LEU 29 6.208 9.433 -7.137
244 HB3 LEU 29 1HB LEU 29 5.424 8.568 -5.840
245 HG LEU 29 HG LEU 29 8.305 8.100 -6.665
246 HD11 LEU 29 1HD1 LEU 29 8.013 10.394 -5.916
247 HD12 LEU 29 2HD1 LEU 29 8.911 9.455 -4.725
248 HD13 LEU 29 3HD1 LEU 29 7.208 9.827 -4.454
249 HD21 LEU 29 1HD2 LEU 29 7.386 6.226 -5.402
250 HD22 LEU 29 2HD2 LEU 29 6.761 7.330 -4.180
251 HD23 LEU 29 3HD2 LEU 29 8.500 7.139 -4.386
252 H TRP 30 H TRP 30 6.655 5.285 -8.503
253 HA TRP 30 HA TRP 30 8.731 6.543 -10.094
254 HB2 TRP 30 2HB TRP 30 8.225 3.618 -9.477
255 HB3 TRP 30 1HB TRP 30 9.631 4.269 -10.314
256 HD1 TRP 30 HD TRP 30 8.118 3.864 -6.850
257 HE1 TRP 30 1HE TRP 30 9.890 4.478 -5.093
258 HE3 TRP 30 3HE TRP 30 11.730 5.710 -9.942
259 HZ2 TRP 30 2HZ TRP 30 12.477 5.578 -5.020
260 HZ3 TRP 30 3HZ TRP 30 13.820 6.516 -8.951
261 HH2 TRP 30 HH TRP 30 14.186 6.452 -6.541
Start of MODEL 13
1 H1 TYR 1 1HT TYR 1 -10.444 2.420 4.709
2 H2 TYR 1 2HT TYR 1 -10.156 0.965 5.514
3 H3 TYR 1 3HT TYR 1 -11.638 1.714 5.710
4 HA TYR 1 HA TYR 1 -11.779 -0.178 4.279
5 HB2 TYR 1 2HB TYR 1 -11.974 2.423 2.726
6 HB3 TYR 1 1HB TYR 1 -12.681 0.898 2.225
7 HD1 TYR 1 1HD TYR 1 -12.894 3.657 4.666
8 HD2 TYR 1 2HD TYR 1 -14.715 0.115 3.190
9 HE1 TYR 1 1HE TYR 1 -14.930 4.206 5.886
10 HE2 TYR 1 2HE TYR 1 -16.760 0.657 4.404
11 HH TYR 1 HH TYR 1 -17.300 3.701 5.798
12 H CYS 2 H CYS 2 -10.108 2.238 2.301
13 HA CYS 2 HA CYS 2 -8.522 0.178 1.064
14 HB2 CYS 2 2HB CYS 2 -9.456 2.178 -0.173
15 HB3 CYS 2 1HB CYS 2 -8.393 3.184 0.810
16 H GLN 3 H GLN 3 -6.072 0.515 1.107
17 HA GLN 3 HA GLN 3 -5.508 1.265 3.844
18 HB2 GLN 3 2HB GLN 3 -3.782 -0.538 2.170
19 HB3 GLN 3 1HB GLN 3 -3.619 -0.213 3.886
20 HG2 GLN 3 2HG GLN 3 -6.154 -1.088 3.866
21 HG3 GLN 3 1HG GLN 3 -5.518 -1.952 2.466
22 HE21 GLN 3 1HE2 GLN 3 -5.453 -1.640 5.857
23 HE22 GLN 3 2HE2 GLN 3 -4.468 -3.013 6.166
24 H LYS 4 H LYS 4 -4.356 2.777 4.392
25 HA LYS 4 HA LYS 4 -3.426 4.688 2.467
26 HB2 LYS 4 2HB LYS 4 -3.284 4.721 5.480
27 HB3 LYS 4 1HB LYS 4 -3.081 6.102 4.410
28 HG2 LYS 4 2HG LYS 4 -5.404 5.911 3.695
29 HG3 LYS 4 1HG LYS 4 -5.609 4.488 4.716
30 HD2 LYS 4 2HD LYS 4 -5.077 5.878 6.690
31 HD3 LYS 4 1HD LYS 4 -4.988 7.292 5.639
32 HE2 LYS 4 2HE LYS 4 -7.326 6.923 4.973
33 HE3 LYS 4 1HE LYS 4 -7.403 5.538 6.059
34 HZ1 LYS 4 1HZ LYS 4 -8.342 7.461 7.112
35 HZ2 LYS 4 2HZ LYS 4 -6.954 8.359 6.816
36 HZ3 LYS 4 3HZ LYS 4 -6.903 7.072 7.907
37 H TRP 5 H TRP 5 -1.293 5.729 2.774
38 HA TRP 5 HA TRP 5 0.789 3.928 2.274
39 HB2 TRP 5 2HB TRP 5 2.247 5.814 2.143
40 HB3 TRP 5 1HB TRP 5 0.676 6.372 1.586
41 HD1 TRP 5 HD TRP 5 -0.781 7.807 3.579
42 HE1 TRP 5 1HE TRP 5 0.124 9.488 5.292
43 HE3 TRP 5 3HE TRP 5 4.144 6.472 3.469
44 HZ2 TRP 5 2HZ TRP 5 2.619 10.166 6.443
45 HZ3 TRP 5 3HZ TRP 5 5.724 7.685 4.903
46 HH2 TRP 5 HH TRP 5 4.973 9.492 6.354
47 H MET 6 H MET 6 -0.310 5.272 5.236
48 HA MET 6 HA MET 6 2.070 4.750 6.732
49 HB2 MET 6 2HB MET 6 0.640 6.609 7.302
50 HB3 MET 6 1HB MET 6 -0.713 5.527 7.579
51 HG2 MET 6 2HG MET 6 0.363 4.576 9.489
52 HG3 MET 6 1HG MET 6 1.827 5.496 9.150
53 HE1 MET 6 1HE MET 6 2.045 8.094 9.449
54 HE2 MET 6 2HE MET 6 0.730 9.153 9.943
55 HE3 MET 6 3HE MET 6 0.685 8.384 8.360
56 H TRP 7 H TRP 7 -0.457 2.898 5.661
57 HA TRP 7 HA TRP 7 -0.373 1.044 7.906
58 HB2 TRP 7 2HB TRP 7 -2.236 1.103 5.514
59 HB3 TRP 7 1HB TRP 7 -2.332 -0.046 6.838
60 HD1 TRP 7 HD TRP 7 -1.645 3.005 8.623
61 HE1 TRP 7 1HE TRP 7 -3.796 4.227 9.358
62 HE3 TRP 7 3HE TRP 7 -5.011 0.564 5.683
63 HZ2 TRP 7 2HZ TRP 7 -6.542 4.148 8.779
64 HZ3 TRP 7 3HZ TRP 7 -7.381 1.191 5.828
65 HH2 TRP 7 HH TRP 7 -8.128 2.944 7.352
66 H THR 8 H THR 8 -0.838 -1.335 6.799
67 HA THR 8 HA THR 8 1.274 -1.814 4.844
68 HB THR 8 HB THR 8 1.694 -3.945 6.189
69 HG1 THR 8 1HG THR 8 0.010 -4.232 7.504
70 HG21 THR 8 1HG2 THR 8 3.171 -1.952 6.481
71 HG22 THR 8 2HG2 THR 8 2.984 -2.876 7.964
72 HG23 THR 8 3HG2 THR 8 2.080 -1.379 7.736
73 H CYS 9 H CYS 9 0.664 -3.963 3.496
74 HA CYS 9 HA CYS 9 -2.210 -4.393 3.933
75 HB2 CYS 9 2HB CYS 9 -2.540 -4.692 1.566
76 HB3 CYS 9 1HB CYS 9 -1.881 -3.099 1.908
77 H ASP 10 H ASP 10 -2.969 -6.391 2.787
78 HA ASP 10 HA ASP 10 -1.069 -8.575 3.048
79 HB2 ASP 10 2HB ASP 10 -2.715 -9.933 4.285
80 HB3 ASP 10 1HB ASP 10 -2.359 -8.472 5.182
81 H SER 11 H SER 11 -3.158 -10.544 2.444
82 HA SER 11 HA SER 11 -3.182 -10.134 -0.373
83 HB2 SER 11 2HB SER 11 -4.367 -12.338 -0.369
84 HB3 SER 11 1HB SER 11 -2.824 -12.352 0.486
85 HG SER 11 HG SER 11 -5.443 -12.472 1.483
86 H GLU 12 H GLU 12 -5.539 -9.962 2.215
87 HA GLU 12 HA GLU 12 -7.778 -9.838 0.403
88 HB2 GLU 12 2HB GLU 12 -7.752 -9.411 3.392
89 HB3 GLU 12 1HB GLU 12 -9.122 -9.847 2.386
90 HG2 GLU 12 2HG GLU 12 -6.752 -11.584 3.066
91 HG3 GLU 12 1HG GLU 12 -8.404 -11.774 3.641
92 H ARG 13 H ARG 13 -6.076 -7.786 2.690
93 HA ARG 13 HA ARG 13 -7.497 -5.432 1.669
94 HB2 ARG 13 2HB ARG 13 -5.678 -5.818 4.011
95 HB3 ARG 13 1HB ARG 13 -6.263 -4.247 3.498
96 HG2 ARG 13 2HG ARG 13 -7.962 -6.543 4.332
97 HG3 ARG 13 1HG ARG 13 -7.430 -5.223 5.399
98 HD2 ARG 13 2HD ARG 13 -9.651 -4.694 4.703
99 HD3 ARG 13 1HD ARG 13 -8.577 -3.650 3.787
100 HE ARG 13 HE ARG 13 -9.228 -6.052 2.391
101 HH11 ARG 13 1HH1 ARG 13 -10.499 -2.851 3.209
102 HH12 ARG 13 2HH1 ARG 13 -11.505 -2.746 1.846
103 HH21 ARG 13 1HH2 ARG 13 -10.639 -5.918 0.537
104 HH22 ARG 13 2HH2 ARG 13 -11.579 -4.520 0.279
105 H LYS 14 H LYS 14 -6.617 -4.424 0.105
106 HA LYS 14 HA LYS 14 -3.706 -4.582 -0.304
107 HB2 LYS 14 2HB LYS 14 -5.920 -3.955 -2.246
108 HB3 LYS 14 1HB LYS 14 -4.205 -3.931 -2.637
109 HG2 LYS 14 2HG LYS 14 -4.033 -6.293 -2.235
110 HG3 LYS 14 1HG LYS 14 -5.703 -6.352 -1.666
111 HD2 LYS 14 2HD LYS 14 -6.486 -5.666 -3.871
112 HD3 LYS 14 1HD LYS 14 -4.821 -5.574 -4.442
113 HE2 LYS 14 2HE LYS 14 -5.949 -7.654 -5.117
114 HE3 LYS 14 1HE LYS 14 -4.533 -7.936 -4.111
115 HZ1 LYS 14 1HZ LYS 14 -5.971 -8.409 -2.234
116 HZ2 LYS 14 2HZ LYS 14 -6.503 -9.311 -3.530
117 HZ3 LYS 14 3HZ LYS 14 -7.332 -7.941 -3.096
118 H CYS 15 H CYS 15 -2.604 -2.647 -1.010
119 HA CYS 15 HA CYS 15 -3.498 -0.277 0.344
120 HB2 CYS 15 2HB CYS 15 -1.138 -0.627 -1.519
121 HB3 CYS 15 1HB CYS 15 -1.408 0.719 -0.421
122 H CYS 16 H CYS 16 -3.669 1.787 -0.674
123 HA CYS 16 HA CYS 16 -5.530 1.793 -2.772
124 HB2 CYS 16 2HB CYS 16 -3.924 4.066 -1.620
125 HB3 CYS 16 1HB CYS 16 -5.335 4.247 -2.659
126 H LYS 17 H LYS 17 -5.386 3.113 -4.728
127 HA LYS 17 HA LYS 17 -3.370 2.278 -6.496
128 HB2 LYS 17 2HB LYS 17 -5.623 2.792 -7.234
129 HB3 LYS 17 1HB LYS 17 -5.456 4.457 -6.711
130 HG2 LYS 17 2HG LYS 17 -3.727 4.815 -8.415
131 HG3 LYS 17 1HG LYS 17 -3.917 3.144 -8.946
132 HD2 LYS 17 2HD LYS 17 -6.139 5.180 -8.926
133 HD3 LYS 17 1HD LYS 17 -5.146 4.813 -10.335
134 HE2 LYS 17 2HE LYS 17 -5.913 2.508 -10.303
135 HE3 LYS 17 1HE LYS 17 -6.848 2.812 -8.843
136 HZ1 LYS 17 1HZ LYS 17 -8.148 2.839 -10.893
137 HZ2 LYS 17 2HZ LYS 17 -7.292 4.185 -11.425
138 HZ3 LYS 17 3HZ LYS 17 -8.258 4.284 -10.029
139 H GLY 18 H GLY 18 -1.612 3.374 -7.341
140 HA2 GLY 18 2HA GLY 18 -0.101 5.132 -7.524
141 HA3 GLY 18 1HA GLY 18 -0.960 5.989 -6.241
142 H MET 19 H MET 19 -0.876 2.993 -5.180
143 HA MET 19 HA MET 19 1.761 3.143 -3.939
144 HB2 MET 19 2HB MET 19 -0.881 2.421 -2.640
145 HB3 MET 19 1HB MET 19 0.695 2.247 -1.879
146 HG2 MET 19 2HG MET 19 1.038 4.522 -1.819
147 HG3 MET 19 1HG MET 19 -0.345 4.885 -2.871
148 HE1 MET 19 1HE MET 19 -1.464 6.628 -1.380
149 HE2 MET 19 2HE MET 19 0.020 6.583 -0.435
150 HE3 MET 19 3HE MET 19 -1.545 6.509 0.377
151 H VAL 20 H VAL 20 2.535 1.093 -3.359
152 HA VAL 20 HA VAL 20 1.340 -1.034 -4.946
153 HB VAL 20 HB VAL 20 3.621 -0.486 -5.684
154 HG11 VAL 20 1HG1 VAL 20 4.518 0.470 -3.661
155 HG12 VAL 20 2HG1 VAL 20 5.573 -0.805 -4.272
156 HG13 VAL 20 3HG1 VAL 20 4.518 -1.120 -2.893
157 HG21 VAL 20 1HG2 VAL 20 2.962 -2.809 -5.865
158 HG22 VAL 20 2HG2 VAL 20 3.519 -3.119 -4.225
159 HG23 VAL 20 3HG2 VAL 20 4.682 -2.699 -5.485
160 H CYS 21 H CYS 21 0.655 -2.778 -3.980
161 HA CYS 21 HA CYS 21 0.424 -2.785 -1.141
162 HB2 CYS 21 2HB CYS 21 -1.370 -3.588 -2.723
163 HB3 CYS 21 1HB CYS 21 -0.335 -4.954 -3.116
164 H ARG 22 H ARG 22 2.065 -3.351 0.044
165 HA ARG 22 HA ARG 22 3.620 -5.715 -0.625
166 HB2 ARG 22 2HB ARG 22 4.658 -2.959 -0.056
167 HB3 ARG 22 1HB ARG 22 5.654 -4.364 0.190
168 HG2 ARG 22 2HG ARG 22 4.491 -3.414 -2.388
169 HG3 ARG 22 1HG ARG 22 6.164 -3.348 -1.760
170 HD2 ARG 22 2HD ARG 22 4.681 -5.919 -2.307
171 HD3 ARG 22 1HD ARG 22 5.838 -5.185 -3.410
172 HE ARG 22 HE ARG 22 7.021 -5.397 -0.893
173 HH11 ARG 22 1HH1 ARG 22 5.967 -7.586 -3.485
174 HH12 ARG 22 2HH1 ARG 22 7.197 -8.715 -3.195
175 HH21 ARG 22 1HH2 ARG 22 8.631 -6.959 -0.466
176 HH22 ARG 22 2HH2 ARG 22 8.746 -8.355 -1.428
177 H LEU 23 H LEU 23 5.416 -5.397 1.348
178 HA LEU 23 HA LEU 23 4.244 -6.491 3.625
179 HB2 LEU 23 2HB LEU 23 6.682 -6.557 3.126
180 HB3 LEU 23 1HB LEU 23 6.788 -4.849 3.493
181 HG LEU 23 HG LEU 23 6.119 -5.351 5.832
182 HD11 LEU 23 1HD1 LEU 23 4.924 -7.427 5.484
183 HD12 LEU 23 2HD1 LEU 23 6.241 -7.663 6.631
184 HD13 LEU 23 3HD1 LEU 23 6.412 -8.222 4.967
185 HD21 LEU 23 1HD2 LEU 23 8.273 -6.305 6.502
186 HD22 LEU 23 2HD2 LEU 23 8.467 -5.087 5.241
187 HD23 LEU 23 3HD2 LEU 23 8.570 -6.800 4.836
188 H TRP 24 H TRP 24 5.052 -3.181 2.800
189 HA TRP 24 HA TRP 24 3.016 -2.366 4.641
190 HB2 TRP 24 2HB TRP 24 4.230 -0.328 5.223
191 HB3 TRP 24 1HB TRP 24 5.231 -1.718 5.607
192 HD1 TRP 24 HD TRP 24 4.967 1.241 3.298
193 HE1 TRP 24 1HE TRP 24 7.299 1.685 2.182
194 HE3 TRP 24 3HE TRP 24 7.391 -2.904 4.914
195 HZ2 TRP 24 2HZ TRP 24 9.805 0.393 2.055
196 HZ3 TRP 24 3HZ TRP 24 9.738 -3.248 4.276
197 HH2 TRP 24 HH TRP 24 10.918 -1.639 2.886
198 H CYS 25 H CYS 25 2.104 -0.126 3.874
199 HA CYS 25 HA CYS 25 1.747 -0.302 1.051
200 HB2 CYS 25 2HB CYS 25 0.706 1.639 3.111
201 HB3 CYS 25 1HB CYS 25 0.350 1.781 1.390
202 H LYS 26 H LYS 26 2.999 0.496 -0.360
203 HA LYS 26 HA LYS 26 4.836 2.609 0.482
204 HB2 LYS 26 2HB LYS 26 5.997 0.544 0.088
205 HB3 LYS 26 1HB LYS 26 5.199 0.345 -1.466
206 HG2 LYS 26 2HG LYS 26 6.291 2.421 -2.227
207 HG3 LYS 26 1HG LYS 26 7.181 2.459 -0.711
208 HD2 LYS 26 2HD LYS 26 8.168 0.293 -1.243
209 HD3 LYS 26 1HD LYS 26 7.252 0.248 -2.754
210 HE2 LYS 26 2HE LYS 26 9.341 2.263 -1.975
211 HE3 LYS 26 1HE LYS 26 9.520 0.983 -3.166
212 HZ1 LYS 26 1HZ LYS 26 7.777 2.075 -4.515
213 HZ2 LYS 26 2HZ LYS 26 9.081 3.085 -4.231
214 HZ3 LYS 26 3HZ LYS 26 7.659 3.315 -3.370
215 H LYS 27 H LYS 27 4.644 4.467 -0.652
216 HA LYS 27 HA LYS 27 2.827 4.689 -2.799
217 HB2 LYS 27 2HB LYS 27 5.087 6.535 -2.085
218 HB3 LYS 27 1HB LYS 27 3.767 6.931 -3.162
219 HG2 LYS 27 2HG LYS 27 2.153 6.696 -1.343
220 HG3 LYS 27 1HG LYS 27 3.446 6.276 -0.234
221 HD2 LYS 27 2HD LYS 27 2.913 8.546 0.200
222 HD3 LYS 27 1HD LYS 27 4.424 8.568 -0.692
223 HE2 LYS 27 2HE LYS 27 1.736 8.984 -2.014
224 HE3 LYS 27 1HE LYS 27 2.659 10.307 -1.324
225 HZ1 LYS 27 1HZ LYS 27 3.465 8.577 -3.619
226 HZ2 LYS 27 2HZ LYS 27 4.475 9.682 -2.862
227 HZ3 LYS 27 3HZ LYS 27 3.090 10.221 -3.645
228 H LYS 28 H LYS 28 3.062 4.527 -4.839
229 HA LYS 28 HA LYS 28 5.541 3.306 -5.780
230 HB2 LYS 28 2HB LYS 28 3.655 1.799 -5.845
231 HB3 LYS 28 1HB LYS 28 2.688 2.981 -6.704
232 HG2 LYS 28 2HG LYS 28 4.149 2.764 -8.656
233 HG3 LYS 28 1HG LYS 28 5.131 1.579 -7.792
234 HD2 LYS 28 2HD LYS 28 3.241 0.075 -7.629
235 HD3 LYS 28 1HD LYS 28 2.186 1.278 -8.368
236 HE2 LYS 28 2HE LYS 28 2.837 -0.443 -9.970
237 HE3 LYS 28 1HE LYS 28 3.459 1.136 -10.434
238 HZ1 LYS 28 1HZ LYS 28 5.029 -0.731 -10.685
239 HZ2 LYS 28 2HZ LYS 28 5.093 -0.896 -9.009
240 HZ3 LYS 28 3HZ LYS 28 5.621 0.532 -9.762
241 H LEU 29 H LEU 29 6.630 5.061 -6.451
242 HA LEU 29 HA LEU 29 5.417 6.859 -8.363
243 HB2 LEU 29 2HB LEU 29 8.315 6.544 -7.531
244 HB3 LEU 29 1HB LEU 29 7.679 7.837 -8.520
245 HG LEU 29 HG LEU 29 7.030 7.363 -5.612
246 HD11 LEU 29 1HD1 LEU 29 8.695 9.482 -6.957
247 HD12 LEU 29 2HD1 LEU 29 9.294 8.164 -5.951
248 HD13 LEU 29 3HD1 LEU 29 8.286 9.425 -5.242
249 HD21 LEU 29 1HD2 LEU 29 5.888 9.533 -5.735
250 HD22 LEU 29 2HD2 LEU 29 5.131 8.346 -6.791
251 HD23 LEU 29 3HD2 LEU 29 6.183 9.589 -7.472
252 H TRP 30 H TRP 30 7.849 4.348 -8.204
253 HA TRP 30 HA TRP 30 7.382 3.820 -11.027
254 HB2 TRP 30 2HB TRP 30 10.019 3.622 -9.552
255 HB3 TRP 30 1HB TRP 30 9.739 3.096 -11.209
256 HD1 TRP 30 HD TRP 30 9.002 5.120 -12.956
257 HE1 TRP 30 1HE TRP 30 9.834 7.550 -13.045
258 HE3 TRP 30 3HE TRP 30 10.853 5.479 -8.234
259 HZ2 TRP 30 2HZ TRP 30 11.125 9.389 -11.306
260 HZ3 TRP 30 3HZ TRP 30 11.873 7.603 -7.514
261 HH2 TRP 30 HH TRP 30 12.004 9.503 -9.013
Start of MODEL 14
1 H1 TYR 1 1HT TYR 1 -13.454 1.459 -0.195
2 H2 TYR 1 2HT TYR 1 -12.287 0.680 -1.163
3 H3 TYR 1 3HT TYR 1 -12.207 2.324 -0.929
4 HA TYR 1 HA TYR 1 -11.715 2.089 1.318
5 HB2 TYR 1 2HB TYR 1 -11.209 -0.196 2.242
6 HB3 TYR 1 1HB TYR 1 -12.910 0.096 1.927
7 HD1 TYR 1 1HD TYR 1 -14.074 -1.144 0.207
8 HD2 TYR 1 2HD TYR 1 -9.915 -1.735 0.866
9 HE1 TYR 1 1HE TYR 1 -14.154 -3.126 -1.162
10 HE2 TYR 1 2HE TYR 1 -9.965 -3.730 -0.499
11 HH TYR 1 HH TYR 1 -11.532 -5.373 -1.312
12 H CYS 2 H CYS 2 -9.546 2.000 1.937
13 HA CYS 2 HA CYS 2 -7.603 0.940 0.054
14 HB2 CYS 2 2HB CYS 2 -8.037 3.850 0.589
15 HB3 CYS 2 1HB CYS 2 -6.457 3.244 0.156
16 H GLN 3 H GLN 3 -5.701 0.451 1.066
17 HA GLN 3 HA GLN 3 -5.458 1.052 3.871
18 HB2 GLN 3 2HB GLN 3 -3.432 -0.212 1.994
19 HB3 GLN 3 1HB GLN 3 -3.288 -0.093 3.724
20 HG2 GLN 3 2HG GLN 3 -5.387 -1.682 2.288
21 HG3 GLN 3 1HG GLN 3 -3.905 -2.330 2.986
22 HE21 GLN 3 1HE2 GLN 3 -3.677 -2.379 5.199
23 HE22 GLN 3 2HE2 GLN 3 -5.039 -2.228 6.256
24 H LYS 4 H LYS 4 -3.924 2.477 4.697
25 HA LYS 4 HA LYS 4 -3.213 4.587 2.830
26 HB2 LYS 4 2HB LYS 4 -3.057 4.495 5.837
27 HB3 LYS 4 1HB LYS 4 -2.683 5.896 4.846
28 HG2 LYS 4 2HG LYS 4 -4.992 5.937 4.047
29 HG3 LYS 4 1HG LYS 4 -5.358 4.539 5.060
30 HD2 LYS 4 2HD LYS 4 -4.749 5.830 7.048
31 HD3 LYS 4 1HD LYS 4 -4.392 7.221 6.022
32 HE2 LYS 4 2HE LYS 4 -6.722 7.254 5.266
33 HE3 LYS 4 1HE LYS 4 -7.058 5.860 6.292
34 HZ1 LYS 4 1HZ LYS 4 -7.736 7.943 7.325
35 HZ2 LYS 4 2HZ LYS 4 -6.161 8.515 7.261
36 HZ3 LYS 4 3HZ LYS 4 -6.529 7.193 8.225
37 H TRP 5 H TRP 5 -1.131 5.709 3.354
38 HA TRP 5 HA TRP 5 1.097 4.102 2.746
39 HB2 TRP 5 2HB TRP 5 2.380 6.233 3.164
40 HB3 TRP 5 1HB TRP 5 1.005 6.444 2.081
41 HD1 TRP 5 HD TRP 5 2.342 7.488 5.487
42 HE1 TRP 5 1HE TRP 5 0.813 9.280 6.502
43 HE3 TRP 5 3HE TRP 5 -1.468 7.338 2.064
44 HZ2 TRP 5 2HZ TRP 5 -1.676 10.496 5.910
45 HZ3 TRP 5 3HZ TRP 5 -3.373 8.845 2.371
46 HH2 TRP 5 HH TRP 5 -3.473 10.387 4.248
47 H MET 6 H MET 6 -0.290 5.152 5.684
48 HA MET 6 HA MET 6 1.909 4.659 7.448
49 HB2 MET 6 2HB MET 6 0.170 6.268 7.972
50 HB3 MET 6 1HB MET 6 -1.051 5.008 7.915
51 HG2 MET 6 2HG MET 6 0.004 3.926 9.838
52 HG3 MET 6 1HG MET 6 1.191 5.224 9.890
53 HE1 MET 6 1HE MET 6 0.621 5.691 12.433
54 HE2 MET 6 2HE MET 6 -0.547 4.369 12.399
55 HE3 MET 6 3HE MET 6 -1.015 5.940 13.044
56 H TRP 7 H TRP 7 -0.547 2.841 5.983
57 HA TRP 7 HA TRP 7 -0.487 0.756 8.006
58 HB2 TRP 7 2HB TRP 7 -2.292 1.015 5.581
59 HB3 TRP 7 1HB TRP 7 -2.445 -0.180 6.857
60 HD1 TRP 7 HD TRP 7 -1.766 2.828 8.736
61 HE1 TRP 7 1HE TRP 7 -3.915 4.051 9.456
62 HE3 TRP 7 3HE TRP 7 -5.094 0.473 5.690
63 HZ2 TRP 7 2HZ TRP 7 -6.656 4.018 8.812
64 HZ3 TRP 7 3HZ TRP 7 -7.460 1.131 5.790
65 HH2 TRP 7 HH TRP 7 -8.218 2.863 7.326
66 H THR 8 H THR 8 -0.900 -1.485 6.699
67 HA THR 8 HA THR 8 1.241 -1.720 4.746
68 HB THR 8 HB THR 8 1.746 -3.955 5.860
69 HG1 THR 8 1HG THR 8 0.278 -3.006 8.060
70 HG21 THR 8 1HG2 THR 8 3.076 -1.915 6.530
71 HG22 THR 8 2HG2 THR 8 2.860 -3.049 7.854
72 HG23 THR 8 3HG2 THR 8 1.867 -1.602 7.766
73 H CYS 9 H CYS 9 0.742 -4.102 3.463
74 HA CYS 9 HA CYS 9 -2.174 -4.254 3.572
75 HB2 CYS 9 2HB CYS 9 -2.332 -4.686 1.223
76 HB3 CYS 9 1HB CYS 9 -1.391 -3.223 1.451
77 H ASP 10 H ASP 10 -2.806 -6.346 2.218
78 HA ASP 10 HA ASP 10 -1.394 -8.671 3.244
79 HB2 ASP 10 2HB ASP 10 -3.057 -7.958 5.005
80 HB3 ASP 10 1HB ASP 10 -4.291 -7.931 3.752
81 H SER 11 H SER 11 -3.371 -10.469 2.380
82 HA SER 11 HA SER 11 -3.279 -10.105 -0.451
83 HB2 SER 11 2HB SER 11 -4.505 -12.345 -0.380
84 HB3 SER 11 1HB SER 11 -2.894 -12.333 0.337
85 HG SER 11 HG SER 11 -5.137 -13.067 1.444
86 H GLU 12 H GLU 12 -5.589 -10.020 2.172
87 HA GLU 12 HA GLU 12 -7.772 -9.392 0.386
88 HB2 GLU 12 2HB GLU 12 -7.651 -9.543 3.391
89 HB3 GLU 12 1HB GLU 12 -9.103 -9.217 2.454
90 HG2 GLU 12 2HG GLU 12 -7.459 -11.727 2.356
91 HG3 GLU 12 1HG GLU 12 -9.032 -11.524 3.134
92 H ARG 13 H ARG 13 -6.042 -7.720 3.010
93 HA ARG 13 HA ARG 13 -7.287 -5.186 2.381
94 HB2 ARG 13 2HB ARG 13 -4.853 -5.855 4.023
95 HB3 ARG 13 1HB ARG 13 -5.540 -4.246 3.898
96 HG2 ARG 13 2HG ARG 13 -7.002 -6.612 4.906
97 HG3 ARG 13 1HG ARG 13 -6.064 -5.563 5.993
98 HD2 ARG 13 2HD ARG 13 -8.236 -4.754 6.198
99 HD3 ARG 13 1HD ARG 13 -7.573 -3.720 4.940
100 HE ARG 13 HE ARG 13 -8.777 -5.995 3.825
101 HH11 ARG 13 1HH1 ARG 13 -9.584 -2.879 5.333
102 HH12 ARG 13 2HH1 ARG 13 -11.138 -2.787 4.643
103 HH21 ARG 13 1HH2 ARG 13 -10.964 -5.866 2.900
104 HH22 ARG 13 2HH2 ARG 13 -11.929 -4.509 3.240
105 H LYS 14 H LYS 14 -6.775 -4.273 0.560
106 HA LYS 14 HA LYS 14 -4.013 -4.535 -0.396
107 HB2 LYS 14 2HB LYS 14 -4.804 -4.013 -2.658
108 HB3 LYS 14 1HB LYS 14 -5.547 -5.455 -1.992
109 HG2 LYS 14 2HG LYS 14 -7.583 -4.215 -1.538
110 HG3 LYS 14 1HG LYS 14 -6.832 -2.739 -2.158
111 HD2 LYS 14 2HD LYS 14 -6.505 -3.824 -4.316
112 HD3 LYS 14 1HD LYS 14 -7.295 -5.279 -3.708
113 HE2 LYS 14 2HE LYS 14 -9.350 -4.019 -3.366
114 HE3 LYS 14 1HE LYS 14 -8.543 -2.553 -3.929
115 HZ1 LYS 14 1HZ LYS 14 -8.185 -3.630 -6.052
116 HZ2 LYS 14 2HZ LYS 14 -9.824 -3.516 -5.697
117 HZ3 LYS 14 3HZ LYS 14 -9.034 -4.995 -5.539
118 H CYS 15 H CYS 15 -2.866 -2.796 -1.218
119 HA CYS 15 HA CYS 15 -3.335 -0.330 0.121
120 HB2 CYS 15 2HB CYS 15 -1.388 -0.941 -2.111
121 HB3 CYS 15 1HB CYS 15 -1.341 0.456 -1.041
122 H CYS 16 H CYS 16 -3.443 1.777 -1.023
123 HA CYS 16 HA CYS 16 -5.744 1.707 -2.701
124 HB2 CYS 16 2HB CYS 16 -4.931 3.467 -0.884
125 HB3 CYS 16 1HB CYS 16 -4.132 4.165 -2.265
126 H LYS 17 H LYS 17 -5.728 3.312 -4.618
127 HA LYS 17 HA LYS 17 -4.040 2.283 -6.632
128 HB2 LYS 17 2HB LYS 17 -6.352 3.096 -7.007
129 HB3 LYS 17 1HB LYS 17 -5.815 4.727 -6.653
130 HG2 LYS 17 2HG LYS 17 -4.385 4.720 -8.598
131 HG3 LYS 17 1HG LYS 17 -4.815 3.042 -8.933
132 HD2 LYS 17 2HD LYS 17 -7.166 3.721 -9.202
133 HD3 LYS 17 1HD LYS 17 -6.697 5.399 -8.922
134 HE2 LYS 17 2HE LYS 17 -5.647 3.656 -11.137
135 HE3 LYS 17 1HE LYS 17 -6.952 4.822 -11.315
136 HZ1 LYS 17 1HZ LYS 17 -5.443 6.585 -10.773
137 HZ2 LYS 17 2HZ LYS 17 -4.801 5.673 -12.043
138 HZ3 LYS 17 3HZ LYS 17 -4.177 5.503 -10.487
139 H GLY 18 H GLY 18 -2.089 2.942 -7.226
140 HA2 GLY 18 2HA GLY 18 -0.405 4.522 -7.702
141 HA3 GLY 18 1HA GLY 18 -1.177 5.658 -6.600
142 H MET 19 H MET 19 -1.141 2.606 -5.345
143 HA MET 19 HA MET 19 1.362 3.059 -3.880
144 HB2 MET 19 2HB MET 19 -1.220 1.851 -2.887
145 HB3 MET 19 1HB MET 19 0.298 1.793 -2.011
146 HG2 MET 19 2HG MET 19 0.312 4.155 -1.787
147 HG3 MET 19 1HG MET 19 -1.156 4.317 -2.769
148 HE1 MET 19 1HE MET 19 -2.315 5.750 -0.871
149 HE2 MET 19 2HE MET 19 -0.842 5.648 0.094
150 HE3 MET 19 3HE MET 19 -2.401 5.257 0.819
151 H VAL 20 H VAL 20 2.387 1.170 -3.191
152 HA VAL 20 HA VAL 20 1.965 -1.124 -4.970
153 HB VAL 20 HB VAL 20 4.372 -0.357 -3.276
154 HG11 VAL 20 1HG1 VAL 20 4.104 -2.523 -5.357
155 HG12 VAL 20 2HG1 VAL 20 4.217 -2.764 -3.617
156 HG13 VAL 20 3HG1 VAL 20 5.584 -2.088 -4.502
157 HG21 VAL 20 1HG2 VAL 20 5.483 0.202 -5.398
158 HG22 VAL 20 2HG2 VAL 20 4.068 1.217 -5.109
159 HG23 VAL 20 3HG2 VAL 20 3.976 -0.117 -6.258
160 H CYS 21 H CYS 21 1.069 -2.879 -4.052
161 HA CYS 21 HA CYS 21 0.615 -2.977 -1.223
162 HB2 CYS 21 2HB CYS 21 -1.034 -3.856 -2.941
163 HB3 CYS 21 1HB CYS 21 0.107 -5.149 -3.277
164 H ARG 22 H ARG 22 2.174 -3.454 0.049
165 HA ARG 22 HA ARG 22 4.042 -5.557 -0.637
166 HB2 ARG 22 2HB ARG 22 4.724 -3.238 -1.442
167 HB3 ARG 22 1HB ARG 22 4.855 -2.800 0.245
168 HG2 ARG 22 2HG ARG 22 6.672 -4.276 0.570
169 HG3 ARG 22 1HG ARG 22 6.400 -5.044 -1.003
170 HD2 ARG 22 2HD ARG 22 6.876 -2.936 -2.101
171 HD3 ARG 22 1HD ARG 22 7.159 -2.182 -0.531
172 HE ARG 22 HE ARG 22 8.876 -4.286 -0.579
173 HH11 ARG 22 1HH1 ARG 22 8.365 -1.632 -2.892
174 HH12 ARG 22 2HH1 ARG 22 10.011 -1.527 -3.297
175 HH21 ARG 22 1HH2 ARG 22 11.079 -4.146 -1.189
176 HH22 ARG 22 2HH2 ARG 22 11.591 -2.985 -2.326
177 H LEU 23 H LEU 23 5.661 -5.371 1.514
178 HA LEU 23 HA LEU 23 4.316 -6.277 3.745
179 HB2 LEU 23 2HB LEU 23 7.057 -4.997 3.601
180 HB3 LEU 23 1HB LEU 23 6.439 -5.802 5.022
181 HG LEU 23 HG LEU 23 7.935 -7.295 4.015
182 HD11 LEU 23 1HD1 LEU 23 5.948 -8.386 4.781
183 HD12 LEU 23 2HD1 LEU 23 6.616 -9.217 3.378
184 HD13 LEU 23 3HD1 LEU 23 5.197 -8.188 3.198
185 HD21 LEU 23 1HD2 LEU 23 8.123 -6.258 1.810
186 HD22 LEU 23 2HD2 LEU 23 6.546 -6.914 1.358
187 HD23 LEU 23 3HD2 LEU 23 7.893 -7.999 1.682
188 H TRP 24 H TRP 24 4.754 -3.093 2.653
189 HA TRP 24 HA TRP 24 3.015 -2.208 4.689
190 HB2 TRP 24 2HB TRP 24 4.271 -0.219 5.254
191 HB3 TRP 24 1HB TRP 24 5.365 -1.579 5.462
192 HD1 TRP 24 HD TRP 24 4.927 1.607 3.751
193 HE1 TRP 24 1HE TRP 24 6.996 2.135 2.198
194 HE3 TRP 24 3HE TRP 24 7.136 -2.938 3.854
195 HZ2 TRP 24 2HZ TRP 24 9.221 0.705 1.176
196 HZ3 TRP 24 3HZ TRP 24 9.207 -3.318 2.575
197 HH2 TRP 24 HH TRP 24 10.220 -1.531 1.268
198 H CYS 25 H CYS 25 1.905 -0.130 3.809
199 HA CYS 25 HA CYS 25 1.761 -0.430 0.954
200 HB2 CYS 25 2HB CYS 25 0.131 1.165 2.907
201 HB3 CYS 25 1HB CYS 25 -0.030 1.387 1.168
202 H LYS 26 H LYS 26 2.970 0.576 -0.351
203 HA LYS 26 HA LYS 26 4.139 3.054 0.613
204 HB2 LYS 26 2HB LYS 26 5.797 1.300 0.286
205 HB3 LYS 26 1HB LYS 26 5.281 1.109 -1.387
206 HG2 LYS 26 2HG LYS 26 6.033 3.298 -1.943
207 HG3 LYS 26 1HG LYS 26 6.360 3.664 -0.254
208 HD2 LYS 26 2HD LYS 26 8.088 1.900 -0.247
209 HD3 LYS 26 1HD LYS 26 7.778 1.623 -1.965
210 HE2 LYS 26 2HE LYS 26 8.435 3.888 -2.488
211 HE3 LYS 26 1HE LYS 26 8.627 4.252 -0.777
212 HZ1 LYS 26 1HZ LYS 26 10.426 2.646 -0.681
213 HZ2 LYS 26 2HZ LYS 26 10.749 3.805 -1.854
214 HZ3 LYS 26 3HZ LYS 26 10.212 2.273 -2.298
215 H LYS 27 H LYS 27 3.381 4.779 -0.295
216 HA LYS 27 HA LYS 27 2.080 4.622 -2.866
217 HB2 LYS 27 2HB LYS 27 1.707 7.089 -2.580
218 HB3 LYS 27 1HB LYS 27 1.020 6.119 -1.293
219 HG2 LYS 27 2HG LYS 27 2.884 6.695 0.150
220 HG3 LYS 27 1HG LYS 27 3.609 7.643 -1.153
221 HD2 LYS 27 2HD LYS 27 1.711 9.147 -1.149
222 HD3 LYS 27 1HD LYS 27 0.898 8.160 0.063
223 HE2 LYS 27 2HE LYS 27 1.919 10.144 1.077
224 HE3 LYS 27 1HE LYS 27 2.654 8.661 1.677
225 HZ1 LYS 27 1HZ LYS 27 3.835 10.464 -0.392
226 HZ2 LYS 27 2HZ LYS 27 4.501 9.027 0.132
227 HZ3 LYS 27 3HZ LYS 27 4.342 10.296 1.205
228 H LYS 28 H LYS 28 2.718 5.851 -4.670
229 HA LYS 28 HA LYS 28 5.335 5.371 -5.379
230 HB2 LYS 28 2HB LYS 28 4.945 6.524 -7.433
231 HB3 LYS 28 1HB LYS 28 3.488 5.657 -6.996
232 HG2 LYS 28 2HG LYS 28 3.894 8.608 -6.547
233 HG3 LYS 28 1HG LYS 28 3.145 7.948 -7.984
234 HD2 LYS 28 2HD LYS 28 1.415 6.916 -6.479
235 HD3 LYS 28 1HD LYS 28 2.149 7.809 -5.144
236 HE2 LYS 28 2HE LYS 28 1.028 9.037 -7.659
237 HE3 LYS 28 1HE LYS 28 0.197 8.974 -6.107
238 HZ1 LYS 28 1HZ LYS 28 1.220 11.101 -6.496
239 HZ2 LYS 28 2HZ LYS 28 2.759 10.434 -6.641
240 HZ3 LYS 28 3HZ LYS 28 1.921 10.359 -5.160
241 H LEU 29 H LEU 29 7.103 6.662 -5.864
242 HA LEU 29 HA LEU 29 7.586 8.798 -3.994
243 HB2 LEU 29 2HB LEU 29 9.326 7.574 -6.136
244 HB3 LEU 29 1HB LEU 29 9.867 8.740 -4.948
245 HG LEU 29 HG LEU 29 8.836 5.978 -4.278
246 HD11 LEU 29 1HD1 LEU 29 11.169 5.428 -3.824
247 HD12 LEU 29 2HD1 LEU 29 11.663 7.018 -4.405
248 HD13 LEU 29 3HD1 LEU 29 10.933 5.858 -5.516
249 HD21 LEU 29 1HD2 LEU 29 8.533 7.619 -2.489
250 HD22 LEU 29 2HD2 LEU 29 10.237 8.054 -2.596
251 HD23 LEU 29 3HD2 LEU 29 9.774 6.436 -2.073
252 H TRP 30 H TRP 30 6.206 8.641 -6.986
253 HA TRP 30 HA TRP 30 6.739 11.460 -7.470
254 HB2 TRP 30 2HB TRP 30 8.202 9.853 -8.878
255 HB3 TRP 30 1HB TRP 30 6.708 9.434 -9.702
256 HD1 TRP 30 HD TRP 30 5.449 11.631 -10.929
257 HE1 TRP 30 1HE TRP 30 6.562 13.558 -12.203
258 HE3 TRP 30 3HE TRP 30 10.155 11.224 -9.021
259 HZ2 TRP 30 2HZ TRP 30 9.118 14.755 -12.370
260 HZ3 TRP 30 3HZ TRP 30 11.886 12.799 -9.787
261 HH2 TRP 30 HH TRP 30 11.371 14.529 -11.431
Start of MODEL 15
1 H1 TYR 1 1HT TYR 1 -12.472 1.292 5.777
2 H2 TYR 1 2HT TYR 1 -11.048 0.361 5.864
3 H3 TYR 1 3HT TYR 1 -12.139 0.100 4.626
4 HA TYR 1 HA TYR 1 -11.741 2.292 3.757
5 HB2 TYR 1 2HB TYR 1 -9.647 2.392 5.942
6 HB3 TYR 1 1HB TYR 1 -9.788 3.549 4.630
7 HD1 TYR 1 1HD TYR 1 -10.857 2.683 7.941
8 HD2 TYR 1 2HD TYR 1 -11.932 4.912 4.476
9 HE1 TYR 1 1HE TYR 1 -12.399 4.020 9.281
10 HE2 TYR 1 2HE TYR 1 -13.473 6.255 5.816
11 HH TYR 1 HH TYR 1 -13.451 6.248 9.177
12 H CYS 2 H CYS 2 -9.708 2.812 2.553
13 HA CYS 2 HA CYS 2 -8.459 0.402 1.565
14 HB2 CYS 2 2HB CYS 2 -9.251 2.226 0.049
15 HB3 CYS 2 1HB CYS 2 -8.143 3.329 0.852
16 H GLN 3 H GLN 3 -5.998 0.481 1.383
17 HA GLN 3 HA GLN 3 -5.036 1.124 4.042
18 HB2 GLN 3 2HB GLN 3 -3.448 -0.161 1.815
19 HB3 GLN 3 1HB GLN 3 -3.030 -0.080 3.503
20 HG2 GLN 3 2HG GLN 3 -5.247 -1.692 2.279
21 HG3 GLN 3 1HG GLN 3 -3.759 -2.290 3.000
22 HE21 GLN 3 1HE2 GLN 3 -3.526 -2.165 5.250
23 HE22 GLN 3 2HE2 GLN 3 -4.905 -2.042 6.281
24 H LYS 4 H LYS 4 -3.744 2.692 4.542
25 HA LYS 4 HA LYS 4 -3.110 4.666 2.497
26 HB2 LYS 4 2HB LYS 4 -2.891 4.826 5.501
27 HB3 LYS 4 1HB LYS 4 -2.637 6.155 4.381
28 HG2 LYS 4 2HG LYS 4 -4.963 6.027 3.689
29 HG3 LYS 4 1HG LYS 4 -5.224 4.673 4.793
30 HD2 LYS 4 2HD LYS 4 -4.618 6.124 6.674
31 HD3 LYS 4 1HD LYS 4 -4.402 7.474 5.556
32 HE2 LYS 4 2HE LYS 4 -6.754 7.268 4.886
33 HE3 LYS 4 1HE LYS 4 -6.957 5.948 6.035
34 HZ1 LYS 4 1HZ LYS 4 -6.225 8.735 6.704
35 HZ2 LYS 4 2HZ LYS 4 -6.435 7.479 7.827
36 HZ3 LYS 4 3HZ LYS 4 -7.738 8.028 6.905
37 H TRP 5 H TRP 5 -1.023 5.888 3.034
38 HA TRP 5 HA TRP 5 1.258 4.303 2.556
39 HB2 TRP 5 2HB TRP 5 2.505 6.446 2.892
40 HB3 TRP 5 1HB TRP 5 1.124 6.622 1.809
41 HD1 TRP 5 HD TRP 5 2.504 7.840 5.129
42 HE1 TRP 5 1HE TRP 5 0.969 9.678 6.087
43 HE3 TRP 5 3HE TRP 5 -1.410 7.439 1.845
44 HZ2 TRP 5 2HZ TRP 5 -1.563 10.789 5.527
45 HZ3 TRP 5 3HZ TRP 5 -3.337 8.919 2.139
46 HH2 TRP 5 HH TRP 5 -3.412 10.552 3.931
47 H MET 6 H MET 6 -0.241 5.367 5.408
48 HA MET 6 HA MET 6 1.917 4.925 7.262
49 HB2 MET 6 2HB MET 6 0.294 6.571 7.793
50 HB3 MET 6 1HB MET 6 -1.041 5.472 7.513
51 HG2 MET 6 2HG MET 6 -0.263 4.158 9.486
52 HG3 MET 6 1HG MET 6 0.933 5.416 9.766
53 HE1 MET 6 1HE MET 6 -1.329 8.504 10.585
54 HE2 MET 6 2HE MET 6 -0.690 8.058 9.007
55 HE3 MET 6 3HE MET 6 0.324 7.906 10.444
56 H TRP 7 H TRP 7 -0.401 3.050 5.693
57 HA TRP 7 HA TRP 7 -0.661 1.060 7.816
58 HB2 TRP 7 2HB TRP 7 -2.228 1.446 5.249
59 HB3 TRP 7 1HB TRP 7 -2.537 0.177 6.421
60 HD1 TRP 7 HD TRP 7 -1.814 3.593 7.886
61 HE1 TRP 7 1HE TRP 7 -3.992 4.633 8.796
62 HE3 TRP 7 3HE TRP 7 -5.171 0.267 5.972
63 HZ2 TRP 7 2HZ TRP 7 -6.739 4.120 8.708
64 HZ3 TRP 7 3HZ TRP 7 -7.540 0.618 6.417
65 HH2 TRP 7 HH TRP 7 -8.316 2.508 7.768
66 H THR 8 H THR 8 -1.079 -1.215 6.620
67 HA THR 8 HA THR 8 1.135 -1.686 4.768
68 HB THR 8 HB THR 8 1.521 -3.828 5.933
69 HG1 THR 8 1HG THR 8 -0.306 -4.433 6.893
70 HG21 THR 8 1HG2 THR 8 1.493 -1.518 7.891
71 HG22 THR 8 2HG2 THR 8 2.784 -1.857 6.746
72 HG23 THR 8 3HG2 THR 8 2.446 -2.995 8.052
73 H CYS 9 H CYS 9 0.639 -3.950 3.467
74 HA CYS 9 HA CYS 9 -2.221 -4.360 3.615
75 HB2 CYS 9 2HB CYS 9 -2.371 -4.490 1.148
76 HB3 CYS 9 1HB CYS 9 -1.953 -2.887 1.741
77 H ASP 10 H ASP 10 -2.647 -6.273 1.833
78 HA ASP 10 HA ASP 10 -0.816 -8.441 2.140
79 HB2 ASP 10 2HB ASP 10 -1.996 -8.241 4.394
80 HB3 ASP 10 1HB ASP 10 -3.518 -8.477 3.550
81 H SER 11 H SER 11 -2.770 -10.424 1.514
82 HA SER 11 HA SER 11 -3.532 -9.600 -1.143
83 HB2 SER 11 2HB SER 11 -4.073 -12.178 0.342
84 HB3 SER 11 1HB SER 11 -4.204 -11.925 -1.402
85 HG SER 11 HG SER 11 -1.801 -11.154 -0.770
86 H GLU 12 H GLU 12 -4.891 -10.039 1.991
87 HA GLU 12 HA GLU 12 -7.629 -9.824 1.112
88 HB2 GLU 12 2HB GLU 12 -6.461 -9.667 3.898
89 HB3 GLU 12 1HB GLU 12 -8.171 -9.790 3.505
90 HG2 GLU 12 2HG GLU 12 -7.786 -11.972 2.498
91 HG3 GLU 12 1HG GLU 12 -6.074 -11.855 2.902
92 H ARG 13 H ARG 13 -5.493 -7.813 3.129
93 HA ARG 13 HA ARG 13 -7.152 -5.488 2.919
94 HB2 ARG 13 2HB ARG 13 -4.315 -5.899 3.816
95 HB3 ARG 13 1HB ARG 13 -5.068 -4.311 3.801
96 HG2 ARG 13 2HG ARG 13 -6.134 -6.660 5.313
97 HG3 ARG 13 1HG ARG 13 -4.981 -5.512 6.013
98 HD2 ARG 13 2HD ARG 13 -7.143 -4.822 6.734
99 HD3 ARG 13 1HD ARG 13 -6.682 -3.715 5.450
100 HE ARG 13 HE ARG 13 -8.184 -5.943 4.513
101 HH11 ARG 13 1HH1 ARG 13 -8.498 -2.722 5.981
102 HH12 ARG 13 2HH1 ARG 13 -10.101 -2.502 5.459
103 HH21 ARG 13 1HH2 ARG 13 -10.398 -5.619 3.832
104 HH22 ARG 13 2HH2 ARG 13 -11.184 -4.149 4.198
105 H LYS 14 H LYS 14 -7.381 -4.428 1.141
106 HA LYS 14 HA LYS 14 -5.317 -4.600 -0.889
107 HB2 LYS 14 2HB LYS 14 -6.890 -3.571 -2.488
108 HB3 LYS 14 1HB LYS 14 -7.510 -5.051 -1.797
109 HG2 LYS 14 2HG LYS 14 -8.336 -2.333 -0.803
110 HG3 LYS 14 1HG LYS 14 -9.120 -3.115 -2.171
111 HD2 LYS 14 2HD LYS 14 -9.685 -5.026 -0.705
112 HD3 LYS 14 1HD LYS 14 -8.978 -4.164 0.661
113 HE2 LYS 14 2HE LYS 14 -10.572 -2.352 0.360
114 HE3 LYS 14 1HE LYS 14 -11.268 -3.180 -1.030
115 HZ1 LYS 14 1HZ LYS 14 -11.892 -5.008 0.466
116 HZ2 LYS 14 2HZ LYS 14 -12.598 -3.547 0.922
117 HZ3 LYS 14 3HZ LYS 14 -11.285 -4.143 1.778
118 H CYS 15 H CYS 15 -4.102 -3.036 -1.592
119 HA CYS 15 HA CYS 15 -4.090 -0.640 0.050
120 HB2 CYS 15 2HB CYS 15 -2.037 -2.155 -0.360
121 HB3 CYS 15 1HB CYS 15 -2.009 -1.468 -1.975
122 H CYS 16 H CYS 16 -3.739 1.457 -1.062
123 HA CYS 16 HA CYS 16 -5.708 1.720 -3.091
124 HB2 CYS 16 2HB CYS 16 -3.814 3.729 -1.891
125 HB3 CYS 16 1HB CYS 16 -5.097 4.132 -3.021
126 H LYS 17 H LYS 17 -5.489 2.468 -5.197
127 HA LYS 17 HA LYS 17 -3.122 1.672 -6.544
128 HB2 LYS 17 2HB LYS 17 -5.520 3.246 -7.519
129 HB3 LYS 17 1HB LYS 17 -4.228 2.666 -8.562
130 HG2 LYS 17 2HG LYS 17 -4.781 0.355 -7.947
131 HG3 LYS 17 1HG LYS 17 -6.089 0.954 -6.926
132 HD2 LYS 17 2HD LYS 17 -7.183 1.920 -8.885
133 HD3 LYS 17 1HD LYS 17 -5.854 1.357 -9.903
134 HE2 LYS 17 2HE LYS 17 -6.384 -0.957 -9.308
135 HE3 LYS 17 1HE LYS 17 -7.702 -0.391 -8.288
136 HZ1 LYS 17 1HZ LYS 17 -8.792 0.500 -10.286
137 HZ2 LYS 17 2HZ LYS 17 -8.487 -1.154 -10.410
138 HZ3 LYS 17 3HZ LYS 17 -7.511 -0.074 -11.232
139 H GLY 18 H GLY 18 -1.464 2.898 -7.171
140 HA2 GLY 18 2HA GLY 18 -0.374 5.016 -7.485
141 HA3 GLY 18 1HA GLY 18 -1.507 5.708 -6.318
142 H MET 19 H MET 19 -0.860 2.738 -5.223
143 HA MET 19 HA MET 19 1.592 3.422 -3.786
144 HB2 MET 19 2HB MET 19 -0.871 2.043 -2.679
145 HB3 MET 19 1HB MET 19 0.653 2.222 -1.830
146 HG2 MET 19 2HG MET 19 0.383 4.564 -1.711
147 HG3 MET 19 1HG MET 19 -1.084 4.518 -2.709
148 HE1 MET 19 1HE MET 19 -2.513 5.534 0.733
149 HE2 MET 19 2HE MET 19 -2.483 5.850 -1.000
150 HE3 MET 19 3HE MET 19 -1.021 6.073 -0.038
151 H VAL 20 H VAL 20 2.713 1.484 -3.126
152 HA VAL 20 HA VAL 20 2.096 -0.746 -4.923
153 HB VAL 20 HB VAL 20 4.716 -0.071 -3.519
154 HG11 VAL 20 1HG1 VAL 20 4.444 -2.480 -3.841
155 HG12 VAL 20 2HG1 VAL 20 5.693 -1.842 -4.914
156 HG13 VAL 20 3HG1 VAL 20 4.094 -2.220 -5.550
157 HG21 VAL 20 1HG2 VAL 20 5.565 0.470 -5.749
158 HG22 VAL 20 2HG2 VAL 20 4.197 1.502 -5.324
159 HG23 VAL 20 3HG2 VAL 20 3.973 0.154 -6.436
160 H CYS 21 H CYS 21 1.395 -2.534 -4.033
161 HA CYS 21 HA CYS 21 1.002 -2.596 -1.190
162 HB2 CYS 21 2HB CYS 21 -0.745 -3.354 -2.855
163 HB3 CYS 21 1HB CYS 21 0.294 -4.728 -3.223
164 H ARG 22 H ARG 22 2.018 -3.919 0.231
165 HA ARG 22 HA ARG 22 3.865 -5.946 -0.477
166 HB2 ARG 22 2HB ARG 22 4.893 -3.649 -1.108
167 HB3 ARG 22 1HB ARG 22 4.992 -3.380 0.616
168 HG2 ARG 22 2HG ARG 22 6.563 -5.115 0.891
169 HG3 ARG 22 1HG ARG 22 6.272 -5.733 -0.743
170 HD2 ARG 22 2HD ARG 22 7.076 -3.630 -1.657
171 HD3 ARG 22 1HD ARG 22 7.403 -3.055 -0.021
172 HE ARG 22 HE ARG 22 8.736 -5.454 -0.338
173 HH11 ARG 22 1HH1 ARG 22 8.862 -2.227 -1.786
174 HH12 ARG 22 2HH1 ARG 22 10.516 -2.331 -2.170
175 HH21 ARG 22 1HH2 ARG 22 11.022 -5.552 -0.850
176 HH22 ARG 22 2HH2 ARG 22 11.760 -4.221 -1.596
177 H LEU 23 H LEU 23 5.343 -5.937 1.859
178 HA LEU 23 HA LEU 23 3.642 -6.655 3.924
179 HB2 LEU 23 2HB LEU 23 6.496 -5.666 4.120
180 HB3 LEU 23 1HB LEU 23 5.608 -6.302 5.482
181 HG LEU 23 HG LEU 23 5.421 -8.466 4.148
182 HD11 LEU 23 1HD1 LEU 23 7.576 -7.158 2.532
183 HD12 LEU 23 2HD1 LEU 23 5.977 -7.648 1.965
184 HD13 LEU 23 3HD1 LEU 23 7.146 -8.866 2.476
185 HD21 LEU 23 1HD2 LEU 23 8.142 -7.539 5.044
186 HD22 LEU 23 2HD2 LEU 23 7.649 -9.214 4.809
187 HD23 LEU 23 3HD2 LEU 23 6.885 -8.240 6.062
188 H TRP 24 H TRP 24 4.653 -3.543 2.907
189 HA TRP 24 HA TRP 24 2.876 -2.402 4.848
190 HB2 TRP 24 2HB TRP 24 4.356 -0.617 5.407
191 HB3 TRP 24 1HB TRP 24 5.335 -2.067 5.535
192 HD1 TRP 24 HD TRP 24 5.108 1.214 3.878
193 HE1 TRP 24 1HE TRP 24 7.127 1.602 2.296
194 HE3 TRP 24 3HE TRP 24 7.005 -3.500 3.825
195 HZ2 TRP 24 2HZ TRP 24 9.212 0.101 1.183
196 HZ3 TRP 24 3HZ TRP 24 9.021 -3.948 2.476
197 HH2 TRP 24 HH TRP 24 10.094 -2.181 1.187
198 H CYS 25 H CYS 25 2.091 -0.182 3.901
199 HA CYS 25 HA CYS 25 2.040 -0.427 1.009
200 HB2 CYS 25 2HB CYS 25 0.341 1.058 2.972
201 HB3 CYS 25 1HB CYS 25 0.401 1.590 1.296
202 H LYS 26 H LYS 26 3.001 0.916 -0.326
203 HA LYS 26 HA LYS 26 4.236 3.266 0.863
204 HB2 LYS 26 2HB LYS 26 5.940 1.532 0.657
205 HB3 LYS 26 1HB LYS 26 5.565 1.358 -1.055
206 HG2 LYS 26 2HG LYS 26 6.311 3.563 -1.512
207 HG3 LYS 26 1HG LYS 26 6.488 3.903 0.199
208 HD2 LYS 26 2HD LYS 26 8.238 2.162 0.323
209 HD3 LYS 26 1HD LYS 26 8.069 1.906 -1.415
210 HE2 LYS 26 2HE LYS 26 8.726 4.189 -1.851
211 HE3 LYS 26 1HE LYS 26 8.796 4.516 -0.123
212 HZ1 LYS 26 1HZ LYS 26 10.569 2.941 0.089
213 HZ2 LYS 26 2HZ LYS 26 10.982 4.103 -1.062
214 HZ3 LYS 26 3HZ LYS 26 10.504 2.559 -1.547
215 H LYS 27 H LYS 27 3.731 5.028 -0.191
216 HA LYS 27 HA LYS 27 2.107 4.811 -2.521
217 HB2 LYS 27 2HB LYS 27 1.845 7.212 -2.377
218 HB3 LYS 27 1HB LYS 27 1.599 6.461 -0.818
219 HG2 LYS 27 2HG LYS 27 4.051 7.101 -0.344
220 HG3 LYS 27 1HG LYS 27 3.900 8.144 -1.754
221 HD2 LYS 27 2HD LYS 27 2.195 8.256 0.741
222 HD3 LYS 27 1HD LYS 27 3.459 9.392 0.293
223 HE2 LYS 27 2HE LYS 27 0.895 8.911 -1.233
224 HE3 LYS 27 1HE LYS 27 1.200 10.264 -0.153
225 HZ1 LYS 27 1HZ LYS 27 2.573 9.699 -2.730
226 HZ2 LYS 27 2HZ LYS 27 3.019 10.941 -1.674
227 HZ3 LYS 27 3HZ LYS 27 1.498 10.936 -2.381
228 H LYS 28 H LYS 28 2.443 5.502 -4.533
229 HA LYS 28 HA LYS 28 5.205 5.306 -5.434
230 HB2 LYS 28 2HB LYS 28 3.168 4.107 -6.496
231 HB3 LYS 28 1HB LYS 28 2.705 5.683 -7.102
232 HG2 LYS 28 2HG LYS 28 3.809 4.617 -8.887
233 HG3 LYS 28 1HG LYS 28 4.987 5.758 -8.235
234 HD2 LYS 28 2HD LYS 28 6.054 3.958 -6.980
235 HD3 LYS 28 1HD LYS 28 4.852 2.817 -7.569
236 HE2 LYS 28 2HE LYS 28 6.837 2.514 -8.868
237 HE3 LYS 28 1HE LYS 28 5.640 3.294 -9.892
238 HZ1 LYS 28 1HZ LYS 28 6.817 5.428 -9.563
239 HZ2 LYS 28 2HZ LYS 28 7.837 4.244 -10.144
240 HZ3 LYS 28 3HZ LYS 28 7.896 4.645 -8.518
241 H LEU 29 H LEU 29 6.303 7.142 -5.623
242 HA LEU 29 HA LEU 29 5.068 9.687 -5.298
243 HB2 LEU 29 2HB LEU 29 7.855 9.062 -6.277
244 HB3 LEU 29 1HB LEU 29 7.301 10.590 -5.624
245 HG LEU 29 HG LEU 29 7.580 8.003 -4.095
246 HD11 LEU 29 1HD1 LEU 29 9.712 9.015 -4.604
247 HD12 LEU 29 2HD1 LEU 29 9.344 9.162 -2.885
248 HD13 LEU 29 3HD1 LEU 29 9.158 10.556 -3.949
249 HD21 LEU 29 1HD2 LEU 29 7.049 9.356 -2.109
250 HD22 LEU 29 2HD2 LEU 29 5.703 9.270 -3.239
251 HD23 LEU 29 3HD2 LEU 29 6.690 10.729 -3.158
252 H TRP 30 H TRP 30 6.595 8.033 -7.973
253 HA TRP 30 HA TRP 30 4.847 9.315 -9.847
254 HB2 TRP 30 2HB TRP 30 6.854 10.840 -9.677
255 HB3 TRP 30 1HB TRP 30 7.859 9.486 -10.160
256 HD1 TRP 30 HD TRP 30 5.307 11.953 -11.537
257 HE1 TRP 30 1HE TRP 30 5.474 11.968 -14.112
258 HE3 TRP 30 3HE TRP 30 8.520 8.043 -12.175
259 HZ2 TRP 30 2HZ TRP 30 6.777 10.513 -16.135
260 HZ3 TRP 30 3HZ TRP 30 9.183 7.416 -14.463
261 HH2 TRP 30 HH TRP 30 8.322 8.631 -16.400
Start of MODEL 16
1 H1 TYR 1 1HT TYR 1 -12.892 3.067 3.873
2 H2 TYR 1 2HT TYR 1 -11.256 2.594 3.976
3 H3 TYR 1 3HT TYR 1 -12.317 1.773 2.974
4 HA TYR 1 HA TYR 1 -12.608 3.556 1.539
5 HB2 TYR 1 2HB TYR 1 -10.577 5.043 3.242
6 HB3 TYR 1 1HB TYR 1 -11.355 5.631 1.785
7 HD1 TYR 1 1HD TYR 1 -11.755 5.003 5.370
8 HD2 TYR 1 2HD TYR 1 -13.678 6.418 1.841
9 HE1 TYR 1 1HE TYR 1 -13.501 5.988 6.731
10 HE2 TYR 1 2HE TYR 1 -15.442 7.420 3.218
11 HH TYR 1 HH TYR 1 -16.413 7.034 5.506
12 H CYS 2 H CYS 2 -9.303 3.576 2.972
13 HA CYS 2 HA CYS 2 -8.370 1.866 0.873
14 HB2 CYS 2 2HB CYS 2 -7.652 4.772 1.022
15 HB3 CYS 2 1HB CYS 2 -6.540 3.599 0.327
16 H GLN 3 H GLN 3 -6.435 0.926 1.370
17 HA GLN 3 HA GLN 3 -5.431 1.310 4.038
18 HB2 GLN 3 2HB GLN 3 -4.382 -0.431 1.783
19 HB3 GLN 3 1HB GLN 3 -3.814 -0.478 3.441
20 HG2 GLN 3 2HG GLN 3 -6.587 -1.201 2.505
21 HG3 GLN 3 1HG GLN 3 -5.297 -2.332 2.901
22 HE21 GLN 3 1HE2 GLN 3 -4.382 -0.857 5.196
23 HE22 GLN 3 2HE2 GLN 3 -5.581 -1.003 6.420
24 H LYS 4 H LYS 4 -4.214 2.982 4.376
25 HA LYS 4 HA LYS 4 -2.957 4.474 2.263
26 HB2 LYS 4 2HB LYS 4 -2.847 4.877 5.243
27 HB3 LYS 4 1HB LYS 4 -2.406 6.045 4.011
28 HG2 LYS 4 2HG LYS 4 -4.716 6.205 3.296
29 HG3 LYS 4 1HG LYS 4 -5.178 4.957 4.460
30 HD2 LYS 4 2HD LYS 4 -4.365 6.392 6.284
31 HD3 LYS 4 1HD LYS 4 -3.980 7.642 5.103
32 HE2 LYS 4 2HE LYS 4 -6.346 7.772 4.484
33 HE3 LYS 4 1HE LYS 4 -6.722 6.516 5.663
34 HZ1 LYS 4 1HZ LYS 4 -7.177 8.678 6.579
35 HZ2 LYS 4 2HZ LYS 4 -5.619 9.210 6.265
36 HZ3 LYS 4 3HZ LYS 4 -5.881 7.995 7.405
37 H TRP 5 H TRP 5 -0.754 5.206 2.470
38 HA TRP 5 HA TRP 5 1.275 3.322 2.551
39 HB2 TRP 5 2HB TRP 5 2.791 5.345 2.649
40 HB3 TRP 5 1HB TRP 5 1.554 5.435 1.396
41 HD1 TRP 5 HD TRP 5 2.596 7.067 4.698
42 HE1 TRP 5 1HE TRP 5 1.171 9.194 5.066
43 HE3 TRP 5 3HE TRP 5 -0.677 6.565 0.801
44 HZ2 TRP 5 2HZ TRP 5 -1.001 10.468 3.871
45 HZ3 TRP 5 3HZ TRP 5 -2.391 8.285 0.481
46 HH2 TRP 5 HH TRP 5 -2.547 10.199 1.980
47 H MET 6 H MET 6 -0.141 5.166 5.024
48 HA MET 6 HA MET 6 1.767 5.022 7.092
49 HB2 MET 6 2HB MET 6 -0.058 6.614 7.102
50 HB3 MET 6 1HB MET 6 -1.236 5.317 7.121
51 HG2 MET 6 2HG MET 6 -0.456 4.651 9.337
52 HG3 MET 6 1HG MET 6 0.704 5.976 9.312
53 HE1 MET 6 1HE MET 6 -1.441 5.485 11.631
54 HE2 MET 6 2HE MET 6 -2.006 7.129 11.929
55 HE3 MET 6 3HE MET 6 -0.291 6.821 11.656
56 H TRP 7 H TRP 7 -0.517 2.762 5.839
57 HA TRP 7 HA TRP 7 -0.213 1.025 8.178
58 HB2 TRP 7 2HB TRP 7 -2.379 1.012 6.066
59 HB3 TRP 7 1HB TRP 7 -2.345 -0.036 7.471
60 HD1 TRP 7 HD TRP 7 -1.508 2.405 9.535
61 HE1 TRP 7 1HE TRP 7 -3.342 4.084 10.204
62 HE3 TRP 7 3HE TRP 7 -4.765 1.533 5.774
63 HZ2 TRP 7 2HZ TRP 7 -5.860 4.912 9.247
64 HZ3 TRP 7 3HZ TRP 7 -6.889 2.799 5.698
65 HH2 TRP 7 HH TRP 7 -7.416 4.447 7.412
66 H THR 8 H THR 8 -0.961 -1.392 7.024
67 HA THR 8 HA THR 8 1.133 -1.790 5.053
68 HB THR 8 HB THR 8 1.538 -4.006 6.225
69 HG1 THR 8 1HG THR 8 0.157 -4.552 7.675
70 HG21 THR 8 1HG2 THR 8 3.005 -2.066 6.728
71 HG22 THR 8 2HG2 THR 8 2.756 -3.060 8.156
72 HG23 THR 8 3HG2 THR 8 1.865 -1.554 7.964
73 H CYS 9 H CYS 9 0.625 -3.972 3.627
74 HA CYS 9 HA CYS 9 -2.242 -4.467 3.882
75 HB2 CYS 9 2HB CYS 9 -2.499 -4.525 1.502
76 HB3 CYS 9 1HB CYS 9 -1.734 -3.000 1.927
77 H ASP 10 H ASP 10 -2.725 -6.478 2.362
78 HA ASP 10 HA ASP 10 -0.641 -8.496 2.501
79 HB2 ASP 10 2HB ASP 10 -2.105 -8.388 4.685
80 HB3 ASP 10 1HB ASP 10 -3.373 -9.037 3.647
81 H SER 11 H SER 11 -2.535 -10.627 1.713
82 HA SER 11 HA SER 11 -3.111 -9.557 -0.900
83 HB2 SER 11 2HB SER 11 -3.882 -11.852 -1.459
84 HB3 SER 11 1HB SER 11 -2.257 -11.841 -0.798
85 HG SER 11 HG SER 11 -4.265 -13.232 -0.031
86 H GLU 12 H GLU 12 -4.696 -9.957 2.008
87 HA GLU 12 HA GLU 12 -7.377 -9.901 0.957
88 HB2 GLU 12 2HB GLU 12 -6.346 -9.613 3.778
89 HB3 GLU 12 1HB GLU 12 -8.047 -9.726 3.342
90 HG2 GLU 12 2HG GLU 12 -7.659 -11.940 2.399
91 HG3 GLU 12 1HG GLU 12 -5.956 -11.819 2.821
92 H ARG 13 H ARG 13 -5.659 -7.652 3.155
93 HA ARG 13 HA ARG 13 -7.277 -5.455 2.165
94 HB2 ARG 13 2HB ARG 13 -4.975 -5.533 4.132
95 HB3 ARG 13 1HB ARG 13 -5.846 -4.076 3.698
96 HG2 ARG 13 2HG ARG 13 -7.891 -5.025 4.613
97 HG3 ARG 13 1HG ARG 13 -6.988 -6.494 5.025
98 HD2 ARG 13 2HD ARG 13 -6.339 -3.733 6.071
99 HD3 ARG 13 1HD ARG 13 -7.284 -4.929 6.955
100 HE ARG 13 HE ARG 13 -5.108 -6.312 6.449
101 HH11 ARG 13 1HH1 ARG 13 -5.359 -2.979 7.701
102 HH12 ARG 13 2HH1 ARG 13 -3.923 -3.085 8.590
103 HH21 ARG 13 1HH2 ARG 13 -3.179 -6.433 7.748
104 HH22 ARG 13 2HH2 ARG 13 -2.666 -5.093 8.653
105 H LYS 14 H LYS 14 -6.713 -4.474 0.313
106 HA LYS 14 HA LYS 14 -3.890 -4.602 -0.527
107 HB2 LYS 14 2HB LYS 14 -6.343 -3.941 -2.166
108 HB3 LYS 14 1HB LYS 14 -4.709 -4.113 -2.782
109 HG2 LYS 14 2HG LYS 14 -4.745 -6.494 -2.146
110 HG3 LYS 14 1HG LYS 14 -6.403 -6.298 -1.585
111 HD2 LYS 14 2HD LYS 14 -5.424 -5.888 -4.422
112 HD3 LYS 14 1HD LYS 14 -6.336 -7.275 -3.832
113 HE2 LYS 14 2HE LYS 14 -8.213 -5.734 -3.274
114 HE3 LYS 14 1HE LYS 14 -7.298 -4.413 -3.989
115 HZ1 LYS 14 1HZ LYS 14 -7.338 -5.606 -6.121
116 HZ2 LYS 14 2HZ LYS 14 -8.898 -5.311 -5.549
117 HZ3 LYS 14 3HZ LYS 14 -8.243 -6.844 -5.402
118 H CYS 15 H CYS 15 -2.861 -2.659 -1.194
119 HA CYS 15 HA CYS 15 -3.879 -0.218 -0.011
120 HB2 CYS 15 2HB CYS 15 -1.540 -0.469 -1.915
121 HB3 CYS 15 1HB CYS 15 -1.802 0.757 -0.684
122 H CYS 16 H CYS 16 -4.599 1.615 -1.195
123 HA CYS 16 HA CYS 16 -5.820 0.956 -3.685
124 HB2 CYS 16 2HB CYS 16 -5.702 3.547 -2.144
125 HB3 CYS 16 1HB CYS 16 -6.442 3.445 -3.738
126 H LYS 17 H LYS 17 -5.613 2.307 -5.633
127 HA LYS 17 HA LYS 17 -3.149 1.991 -6.796
128 HB2 LYS 17 2HB LYS 17 -5.250 2.163 -8.035
129 HB3 LYS 17 1HB LYS 17 -5.379 3.859 -7.604
130 HG2 LYS 17 2HG LYS 17 -3.377 4.356 -8.891
131 HG3 LYS 17 1HG LYS 17 -3.203 2.645 -9.288
132 HD2 LYS 17 2HD LYS 17 -5.306 2.668 -10.467
133 HD3 LYS 17 1HD LYS 17 -5.580 4.351 -10.018
134 HE2 LYS 17 2HE LYS 17 -3.346 3.288 -11.741
135 HE3 LYS 17 1HE LYS 17 -4.761 4.171 -12.314
136 HZ1 LYS 17 1HZ LYS 17 -3.992 6.104 -11.017
137 HZ2 LYS 17 2HZ LYS 17 -2.836 5.627 -12.144
138 HZ3 LYS 17 3HZ LYS 17 -2.631 5.234 -10.533
139 H GLY 18 H GLY 18 -1.402 3.184 -7.073
140 HA2 GLY 18 2HA GLY 18 -0.258 5.321 -7.132
141 HA3 GLY 18 1HA GLY 18 -1.329 5.869 -5.837
142 H MET 19 H MET 19 -1.150 3.092 -4.792
143 HA MET 19 HA MET 19 1.513 3.145 -3.603
144 HB2 MET 19 2HB MET 19 -1.174 2.580 -2.348
145 HB3 MET 19 1HB MET 19 0.336 2.084 -1.602
146 HG2 MET 19 2HG MET 19 1.039 4.294 -1.302
147 HG3 MET 19 1HG MET 19 -0.247 4.943 -2.328
148 HE1 MET 19 1HE MET 19 -3.407 4.466 -0.085
149 HE2 MET 19 2HE MET 19 -2.826 3.366 -1.329
150 HE3 MET 19 3HE MET 19 -2.767 5.109 -1.597
151 H VAL 20 H VAL 20 2.379 1.086 -3.245
152 HA VAL 20 HA VAL 20 1.080 -0.955 -4.870
153 HB VAL 20 HB VAL 20 3.284 -0.244 -5.748
154 HG11 VAL 20 1HG1 VAL 20 5.369 -0.717 -4.557
155 HG12 VAL 20 2HG1 VAL 20 4.438 -1.170 -3.131
156 HG13 VAL 20 3HG1 VAL 20 4.378 0.487 -3.732
157 HG21 VAL 20 1HG2 VAL 20 4.355 -2.454 -5.924
158 HG22 VAL 20 2HG2 VAL 20 2.606 -2.536 -6.148
159 HG23 VAL 20 3HG2 VAL 20 3.325 -3.038 -4.617
160 H CYS 21 H CYS 21 0.579 -2.825 -3.965
161 HA CYS 21 HA CYS 21 0.467 -2.914 -1.140
162 HB2 CYS 21 2HB CYS 21 -1.257 -3.858 -2.770
163 HB3 CYS 21 1HB CYS 21 -0.142 -5.194 -3.028
164 H ARG 22 H ARG 22 1.911 -3.642 0.175
165 HA ARG 22 HA ARG 22 3.821 -5.673 -0.547
166 HB2 ARG 22 2HB ARG 22 4.747 -3.460 -1.350
167 HB3 ARG 22 1HB ARG 22 4.622 -2.851 0.286
168 HG2 ARG 22 2HG ARG 22 6.898 -3.380 -0.269
169 HG3 ARG 22 1HG ARG 22 6.340 -4.476 0.986
170 HD2 ARG 22 2HD ARG 22 5.951 -6.199 -0.719
171 HD3 ARG 22 1HD ARG 22 6.520 -5.084 -1.964
172 HE ARG 22 HE ARG 22 8.403 -5.406 0.133
173 HH11 ARG 22 1HH1 ARG 22 7.208 -6.980 -2.798
174 HH12 ARG 22 2HH1 ARG 22 8.680 -7.771 -3.125
175 HH21 ARG 22 1HH2 ARG 22 10.381 -6.488 -0.312
176 HH22 ARG 22 2HH2 ARG 22 10.536 -7.486 -1.686
177 H LEU 23 H LEU 23 5.343 -5.717 1.633
178 HA LEU 23 HA LEU 23 3.970 -6.546 3.833
179 HB2 LEU 23 2HB LEU 23 6.640 -5.139 3.869
180 HB3 LEU 23 1HB LEU 23 6.022 -6.198 5.122
181 HG LEU 23 HG LEU 23 6.814 -6.981 2.322
182 HD11 LEU 23 1HD1 LEU 23 8.553 -8.271 3.442
183 HD12 LEU 23 2HD1 LEU 23 8.024 -7.625 4.997
184 HD13 LEU 23 3HD1 LEU 23 8.696 -6.545 3.781
185 HD21 LEU 23 1HD2 LEU 23 6.375 -9.293 3.069
186 HD22 LEU 23 2HD2 LEU 23 4.914 -8.312 3.001
187 HD23 LEU 23 3HD2 LEU 23 5.669 -8.655 4.555
188 H TRP 24 H TRP 24 4.728 -3.295 2.894
189 HA TRP 24 HA TRP 24 2.833 -2.383 4.819
190 HB2 TRP 24 2HB TRP 24 4.130 -0.441 5.422
191 HB3 TRP 24 1HB TRP 24 5.196 -1.821 5.629
192 HD1 TRP 24 HD TRP 24 4.861 1.421 3.950
193 HE1 TRP 24 1HE TRP 24 6.931 1.905 2.433
194 HE3 TRP 24 3HE TRP 24 6.963 -3.184 4.023
195 HZ2 TRP 24 2HZ TRP 24 9.150 0.458 1.427
196 HZ3 TRP 24 3HZ TRP 24 9.040 -3.583 2.765
197 HH2 TRP 24 HH TRP 24 10.105 -1.791 1.494
198 H CYS 25 H CYS 25 1.811 -0.271 3.873
199 HA CYS 25 HA CYS 25 1.701 -0.552 1.031
200 HB2 CYS 25 2HB CYS 25 0.390 1.394 2.927
201 HB3 CYS 25 1HB CYS 25 0.233 1.544 1.180
202 H LYS 26 H LYS 26 3.098 0.214 -0.279
203 HA LYS 26 HA LYS 26 4.724 2.499 0.568
204 HB2 LYS 26 2HB LYS 26 6.018 0.446 0.286
205 HB3 LYS 26 1HB LYS 26 5.364 0.231 -1.332
206 HG2 LYS 26 2HG LYS 26 6.452 2.219 -2.083
207 HG3 LYS 26 1HG LYS 26 7.020 2.565 -0.461
208 HD2 LYS 26 2HD LYS 26 8.339 0.449 -0.548
209 HD3 LYS 26 1HD LYS 26 7.779 0.211 -2.204
210 HE2 LYS 26 2HE LYS 26 9.976 1.193 -2.309
211 HE3 LYS 26 1HE LYS 26 8.802 2.405 -2.795
212 HZ1 LYS 26 1HZ LYS 26 10.111 2.209 -0.139
213 HZ2 LYS 26 2HZ LYS 26 8.947 3.363 -0.574
214 HZ3 LYS 26 3HZ LYS 26 10.430 3.336 -1.350
215 H LYS 27 H LYS 27 5.019 4.153 -0.924
216 HA LYS 27 HA LYS 27 2.948 4.602 -2.795
217 HB2 LYS 27 2HB LYS 27 5.646 5.923 -2.592
218 HB3 LYS 27 1HB LYS 27 4.258 6.556 -3.447
219 HG2 LYS 27 2HG LYS 27 3.039 6.895 -1.453
220 HG3 LYS 27 1HG LYS 27 4.219 6.020 -0.488
221 HD2 LYS 27 2HD LYS 27 5.897 7.770 -1.072
222 HD3 LYS 27 1HD LYS 27 4.616 8.665 -1.890
223 HE2 LYS 27 2HE LYS 27 3.379 8.836 0.198
224 HE3 LYS 27 1HE LYS 27 4.609 7.883 1.023
225 HZ1 LYS 27 1HZ LYS 27 6.212 9.654 0.573
226 HZ2 LYS 27 2HZ LYS 27 4.881 10.243 1.427
227 HZ3 LYS 27 3HZ LYS 27 5.029 10.545 -0.222
228 H LYS 28 H LYS 28 2.938 4.364 -4.973
229 HA LYS 28 HA LYS 28 4.923 2.539 -6.042
230 HB2 LYS 28 2HB LYS 28 2.488 2.119 -6.471
231 HB3 LYS 28 1HB LYS 28 2.424 3.612 -7.394
232 HG2 LYS 28 2HG LYS 28 4.011 2.686 -9.019
233 HG3 LYS 28 1HG LYS 28 4.101 1.197 -8.077
234 HD2 LYS 28 2HD LYS 28 1.687 0.860 -8.422
235 HD3 LYS 28 1HD LYS 28 1.644 2.309 -9.425
236 HE2 LYS 28 2HE LYS 28 3.266 -0.179 -9.991
237 HE3 LYS 28 1HE LYS 28 1.740 0.237 -10.760
238 HZ1 LYS 28 1HZ LYS 28 4.306 1.754 -11.002
239 HZ2 LYS 28 2HZ LYS 28 2.834 2.232 -11.665
240 HZ3 LYS 28 3HZ LYS 28 3.559 0.811 -12.175
241 H LEU 29 H LEU 29 6.667 3.800 -6.178
242 HA LEU 29 HA LEU 29 6.660 6.328 -7.515
243 HB2 LEU 29 2HB LEU 29 9.001 4.556 -6.792
244 HB3 LEU 29 1HB LEU 29 9.062 6.263 -7.165
245 HG LEU 29 HG LEU 29 7.792 5.036 -4.714
246 HD11 LEU 29 1HD1 LEU 29 10.311 6.652 -5.030
247 HD12 LEU 29 2HD1 LEU 29 10.209 4.930 -4.658
248 HD13 LEU 29 3HD1 LEU 29 9.608 6.120 -3.502
249 HD21 LEU 29 1HD2 LEU 29 6.603 7.044 -5.383
250 HD22 LEU 29 2HD2 LEU 29 8.125 7.928 -5.501
251 HD23 LEU 29 3HD2 LEU 29 7.557 7.355 -3.931
252 H TRP 30 H TRP 30 7.767 3.070 -8.149
253 HA TRP 30 HA TRP 30 7.942 3.702 -10.999
254 HB2 TRP 30 2HB TRP 30 9.307 1.475 -9.466
255 HB3 TRP 30 1HB TRP 30 9.515 1.835 -11.180
256 HD1 TRP 30 HD TRP 30 10.940 4.074 -11.758
257 HE1 TRP 30 1HE TRP 30 12.760 5.301 -10.382
258 HE3 TRP 30 3HE TRP 30 10.006 2.054 -7.172
259 HZ2 TRP 30 2HZ TRP 30 13.654 5.396 -7.722
260 HZ3 TRP 30 3HZ TRP 30 11.375 2.763 -5.269
261 HH2 TRP 30 HH TRP 30 13.162 4.397 -5.539
Start of MODEL 17
1 H1 TYR 1 1HT TYR 1 -11.620 -1.521 1.202
2 H2 TYR 1 2HT TYR 1 -12.327 -0.127 0.597
3 H3 TYR 1 3HT TYR 1 -13.080 -0.935 1.869
4 HA TYR 1 HA TYR 1 -11.983 1.043 2.559
5 HB2 TYR 1 2HB TYR 1 -10.336 0.034 4.240
6 HB3 TYR 1 1HB TYR 1 -11.984 -0.563 4.309
7 HD1 TYR 1 1HD TYR 1 -12.506 -2.819 3.638
8 HD2 TYR 1 2HD TYR 1 -8.509 -1.384 3.484
9 HE1 TYR 1 1HE TYR 1 -11.728 -5.083 3.406
10 HE2 TYR 1 2HE TYR 1 -7.696 -3.659 3.244
11 HH TYR 1 HH TYR 1 -9.702 -6.249 2.463
12 H CYS 2 H CYS 2 -10.045 2.297 2.777
13 HA CYS 2 HA CYS 2 -8.192 1.649 0.622
14 HB2 CYS 2 2HB CYS 2 -9.588 3.797 0.472
15 HB3 CYS 2 1HB CYS 2 -8.611 4.362 1.831
16 H GLN 3 H GLN 3 -6.030 2.053 0.997
17 HA GLN 3 HA GLN 3 -5.322 1.990 3.826
18 HB2 GLN 3 2HB GLN 3 -3.913 0.609 1.538
19 HB3 GLN 3 1HB GLN 3 -3.318 0.664 3.185
20 HG2 GLN 3 2HG GLN 3 -5.887 -0.635 2.295
21 HG3 GLN 3 1HG GLN 3 -4.381 -1.473 2.646
22 HE21 GLN 3 1HE2 GLN 3 -3.724 -1.694 4.811
23 HE22 GLN 3 2HE2 GLN 3 -4.830 -1.406 6.103
24 H LYS 4 H LYS 4 -3.780 3.327 4.501
25 HA LYS 4 HA LYS 4 -2.746 5.299 2.626
26 HB2 LYS 4 2HB LYS 4 -2.716 5.192 5.646
27 HB3 LYS 4 1HB LYS 4 -2.097 6.534 4.693
28 HG2 LYS 4 2HG LYS 4 -4.347 6.920 3.805
29 HG3 LYS 4 1HG LYS 4 -4.950 5.573 4.771
30 HD2 LYS 4 2HD LYS 4 -4.253 6.752 6.811
31 HD3 LYS 4 1HD LYS 4 -3.706 8.112 5.828
32 HE2 LYS 4 2HE LYS 4 -5.985 8.396 4.969
33 HE3 LYS 4 1HE LYS 4 -6.516 7.042 5.958
34 HZ1 LYS 4 1HZ LYS 4 -5.933 8.315 7.936
35 HZ2 LYS 4 2HZ LYS 4 -7.041 9.147 6.984
36 HZ3 LYS 4 3HZ LYS 4 -5.424 9.608 6.981
37 H TRP 5 H TRP 5 -0.375 5.947 3.039
38 HA TRP 5 HA TRP 5 1.253 3.622 2.658
39 HB2 TRP 5 2HB TRP 5 3.100 5.088 2.312
40 HB3 TRP 5 1HB TRP 5 1.705 5.971 1.713
41 HD1 TRP 5 HD TRP 5 0.768 7.974 3.410
42 HE1 TRP 5 1HE TRP 5 2.081 9.485 5.024
43 HE3 TRP 5 3HE TRP 5 5.058 5.233 3.778
44 HZ2 TRP 5 2HZ TRP 5 4.600 9.512 6.289
45 HZ3 TRP 5 3HZ TRP 5 6.877 6.074 5.209
46 HH2 TRP 5 HH TRP 5 6.643 8.171 6.435
47 H MET 6 H MET 6 0.285 5.341 5.331
48 HA MET 6 HA MET 6 2.408 4.626 7.103
49 HB2 MET 6 2HB MET 6 0.979 5.586 8.865
50 HB3 MET 6 1HB MET 6 1.167 6.673 7.494
51 HG2 MET 6 2HG MET 6 -1.029 5.994 6.670
52 HG3 MET 6 1HG MET 6 -1.217 4.920 8.051
53 HE1 MET 6 1HE MET 6 -1.080 9.533 8.324
54 HE2 MET 6 2HE MET 6 -0.936 8.631 6.815
55 HE3 MET 6 3HE MET 6 0.359 8.569 8.010
56 H TRP 7 H TRP 7 -0.113 2.921 5.738
57 HA TRP 7 HA TRP 7 -0.275 1.094 8.011
58 HB2 TRP 7 2HB TRP 7 -2.318 1.481 5.796
59 HB3 TRP 7 1HB TRP 7 -2.440 0.310 7.099
60 HD1 TRP 7 HD TRP 7 -1.412 2.721 9.282
61 HE1 TRP 7 1HE TRP 7 -3.234 4.363 10.073
62 HE3 TRP 7 3HE TRP 7 -4.864 1.878 5.653
63 HZ2 TRP 7 2HZ TRP 7 -5.824 5.169 9.257
64 HZ3 TRP 7 3HZ TRP 7 -6.995 3.112 5.714
65 HH2 TRP 7 HH TRP 7 -7.462 4.721 7.493
66 H THR 8 H THR 8 -1.146 -1.167 6.799
67 HA THR 8 HA THR 8 0.956 -1.689 4.867
68 HB THR 8 HB THR 8 1.142 -3.947 6.055
69 HG1 THR 8 1HG THR 8 0.195 -2.949 8.403
70 HG21 THR 8 1HG2 THR 8 2.773 -2.101 6.456
71 HG22 THR 8 2HG2 THR 8 2.494 -3.056 7.911
72 HG23 THR 8 3HG2 THR 8 1.719 -1.484 7.718
73 H CYS 9 H CYS 9 0.408 -3.911 3.482
74 HA CYS 9 HA CYS 9 -2.430 -4.364 3.724
75 HB2 CYS 9 2HB CYS 9 -2.693 -4.456 1.275
76 HB3 CYS 9 1HB CYS 9 -2.215 -2.859 1.829
77 H ASP 10 H ASP 10 -2.864 -6.382 2.030
78 HA ASP 10 HA ASP 10 -0.872 -8.443 2.571
79 HB2 ASP 10 2HB ASP 10 -3.682 -8.554 3.723
80 HB3 ASP 10 1HB ASP 10 -2.547 -9.888 3.714
81 H SER 11 H SER 11 -2.262 -10.636 1.922
82 HA SER 11 HA SER 11 -3.043 -10.261 -0.788
83 HB2 SER 11 2HB SER 11 -3.596 -12.644 0.992
84 HB3 SER 11 1HB SER 11 -3.426 -12.642 -0.765
85 HG SER 11 HG SER 11 -1.552 -12.683 1.218
86 H GLU 12 H GLU 12 -4.588 -10.300 2.272
87 HA GLU 12 HA GLU 12 -7.299 -10.494 1.263
88 HB2 GLU 12 2HB GLU 12 -6.273 -9.873 4.032
89 HB3 GLU 12 1HB GLU 12 -7.942 -10.216 3.609
90 HG2 GLU 12 2HG GLU 12 -5.631 -12.113 3.336
91 HG3 GLU 12 1HG GLU 12 -6.846 -12.139 4.610
92 H ARG 13 H ARG 13 -5.298 -8.070 2.920
93 HA ARG 13 HA ARG 13 -7.300 -6.041 2.419
94 HB2 ARG 13 2HB ARG 13 -4.628 -5.876 3.814
95 HB3 ARG 13 1HB ARG 13 -5.772 -4.553 3.685
96 HG2 ARG 13 2HG ARG 13 -7.412 -5.903 4.942
97 HG3 ARG 13 1HG ARG 13 -6.178 -7.155 5.146
98 HD2 ARG 13 2HD ARG 13 -6.010 -4.305 6.090
99 HD3 ARG 13 1HD ARG 13 -6.315 -5.709 7.116
100 HE ARG 13 HE ARG 13 -3.971 -6.371 6.021
101 HH11 ARG 13 1HH1 ARG 13 -4.976 -3.305 7.475
102 HH12 ARG 13 2HH1 ARG 13 -3.389 -2.918 7.988
103 HH21 ARG 13 1HH2 ARG 13 -1.967 -5.877 6.639
104 HH22 ARG 13 2HH2 ARG 13 -1.541 -4.415 7.445
105 H LYS 14 H LYS 14 -7.324 -5.142 0.504
106 HA LYS 14 HA LYS 14 -4.992 -5.051 -1.180
107 HB2 LYS 14 2HB LYS 14 -6.469 -3.909 -2.779
108 HB3 LYS 14 1HB LYS 14 -7.204 -5.392 -2.183
109 HG2 LYS 14 2HG LYS 14 -8.647 -4.148 -0.704
110 HG3 LYS 14 1HG LYS 14 -7.823 -2.651 -1.105
111 HD2 LYS 14 2HD LYS 14 -9.392 -4.342 -3.046
112 HD3 LYS 14 1HD LYS 14 -10.006 -2.901 -2.240
113 HE2 LYS 14 2HE LYS 14 -8.077 -1.639 -3.291
114 HE3 LYS 14 1HE LYS 14 -7.761 -3.084 -4.249
115 HZ1 LYS 14 1HZ LYS 14 -9.110 -1.657 -5.547
116 HZ2 LYS 14 2HZ LYS 14 -10.162 -1.379 -4.276
117 HZ3 LYS 14 3HZ LYS 14 -10.153 -2.883 -5.014
118 H CYS 15 H CYS 15 -3.845 -3.223 -1.720
119 HA CYS 15 HA CYS 15 -4.230 -0.941 0.037
120 HB2 CYS 15 2HB CYS 15 -1.930 -2.038 -0.267
121 HB3 CYS 15 1HB CYS 15 -1.960 -1.386 -1.901
122 H CYS 16 H CYS 16 -3.891 1.239 -1.142
123 HA CYS 16 HA CYS 16 -5.728 1.153 -3.380
124 HB2 CYS 16 2HB CYS 16 -4.751 3.428 -1.666
125 HB3 CYS 16 1HB CYS 16 -5.872 3.619 -3.016
126 H LYS 17 H LYS 17 -5.379 2.165 -5.344
127 HA LYS 17 HA LYS 17 -2.818 1.919 -6.416
128 HB2 LYS 17 2HB LYS 17 -3.698 3.139 -8.405
129 HB3 LYS 17 1HB LYS 17 -4.676 1.765 -7.905
130 HG2 LYS 17 2HG LYS 17 -6.296 3.256 -6.913
131 HG3 LYS 17 1HG LYS 17 -5.278 4.641 -7.291
132 HD2 LYS 17 2HD LYS 17 -7.149 4.420 -8.883
133 HD3 LYS 17 1HD LYS 17 -5.592 4.261 -9.679
134 HE2 LYS 17 2HE LYS 17 -7.103 1.816 -8.798
135 HE3 LYS 17 1HE LYS 17 -7.541 2.631 -10.294
136 HZ1 LYS 17 1HZ LYS 17 -4.838 1.498 -9.674
137 HZ2 LYS 17 2HZ LYS 17 -5.308 2.217 -11.124
138 HZ3 LYS 17 3HZ LYS 17 -6.007 0.789 -10.632
139 H GLY 18 H GLY 18 -1.246 3.314 -6.951
140 HA2 GLY 18 2HA GLY 18 -0.311 5.540 -6.955
141 HA3 GLY 18 1HA GLY 18 -1.354 5.916 -5.579
142 H MET 19 H MET 19 -0.854 3.061 -4.778
143 HA MET 19 HA MET 19 1.803 3.364 -3.607
144 HB2 MET 19 2HB MET 19 -0.700 2.204 -2.388
145 HB3 MET 19 1HB MET 19 0.904 2.112 -1.671
146 HG2 MET 19 2HG MET 19 1.016 4.422 -1.431
147 HG3 MET 19 1HG MET 19 -0.484 4.676 -2.339
148 HE1 MET 19 1HE MET 19 -1.484 6.152 -0.642
149 HE2 MET 19 2HE MET 19 0.023 6.103 0.276
150 HE3 MET 19 3HE MET 19 -1.521 5.834 1.090
151 H VAL 20 H VAL 20 2.720 1.352 -3.076
152 HA VAL 20 HA VAL 20 1.934 -0.763 -4.926
153 HB VAL 20 HB VAL 20 4.582 -0.301 -3.507
154 HG11 VAL 20 1HG1 VAL 20 4.160 -2.658 -4.002
155 HG12 VAL 20 2HG1 VAL 20 5.453 -2.023 -5.021
156 HG13 VAL 20 3HG1 VAL 20 3.832 -2.248 -5.683
157 HG21 VAL 20 1HG2 VAL 20 3.805 0.205 -6.380
158 HG22 VAL 20 2HG2 VAL 20 5.431 0.372 -5.722
159 HG23 VAL 20 3HG2 VAL 20 4.140 1.433 -5.164
160 H CYS 21 H CYS 21 0.977 -2.405 -4.031
161 HA CYS 21 HA CYS 21 0.611 -2.516 -1.204
162 HB2 CYS 21 2HB CYS 21 -1.198 -3.041 -2.852
163 HB3 CYS 21 1HB CYS 21 -0.302 -4.485 -3.295
164 H ARG 22 H ARG 22 2.236 -3.235 -0.040
165 HA ARG 22 HA ARG 22 3.340 -5.881 -0.644
166 HB2 ARG 22 2HB ARG 22 4.906 -3.461 0.318
167 HB3 ARG 22 1HB ARG 22 5.509 -5.092 0.176
168 HG2 ARG 22 2HG ARG 22 4.614 -3.465 -2.136
169 HG3 ARG 22 1HG ARG 22 6.248 -3.563 -1.428
170 HD2 ARG 22 2HD ARG 22 6.091 -5.052 -3.381
171 HD3 ARG 22 1HD ARG 22 6.344 -5.959 -1.900
172 HE ARG 22 HE ARG 22 3.598 -5.664 -2.735
173 HH11 ARG 22 1HH1 ARG 22 6.466 -7.724 -2.788
174 HH12 ARG 22 2HH1 ARG 22 5.651 -9.111 -3.301
175 HH21 ARG 22 1HH2 ARG 22 2.438 -7.537 -3.430
176 HH22 ARG 22 2HH2 ARG 22 3.249 -9.011 -3.675
177 H LEU 23 H LEU 23 5.084 -5.561 1.591
178 HA LEU 23 HA LEU 23 3.516 -6.504 3.739
179 HB2 LEU 23 2HB LEU 23 6.287 -5.304 3.808
180 HB3 LEU 23 1HB LEU 23 5.538 -6.188 5.118
181 HG LEU 23 HG LEU 23 6.232 -7.343 2.425
182 HD11 LEU 23 1HD1 LEU 23 8.214 -6.807 3.712
183 HD12 LEU 23 2HD1 LEU 23 7.971 -8.554 3.647
184 HD13 LEU 23 3HD1 LEU 23 7.556 -7.659 5.107
185 HD21 LEU 23 1HD2 LEU 23 5.187 -8.651 4.937
186 HD22 LEU 23 2HD2 LEU 23 5.738 -9.503 3.495
187 HD23 LEU 23 3HD2 LEU 23 4.314 -8.469 3.414
188 H TRP 24 H TRP 24 4.547 -3.355 2.746
189 HA TRP 24 HA TRP 24 2.562 -2.376 4.518
190 HB2 TRP 24 2HB TRP 24 3.830 -0.407 5.197
191 HB3 TRP 24 1HB TRP 24 4.774 -1.831 5.586
192 HD1 TRP 24 HD TRP 24 4.739 1.253 3.475
193 HE1 TRP 24 1HE TRP 24 7.071 1.606 2.400
194 HE3 TRP 24 3HE TRP 24 6.842 -3.195 4.736
195 HZ2 TRP 24 2HZ TRP 24 9.479 0.145 2.153
196 HZ3 TRP 24 3HZ TRP 24 9.158 -3.653 4.053
197 HH2 TRP 24 HH TRP 24 10.449 -2.017 2.791
198 H CYS 25 H CYS 25 1.908 -0.038 3.655
199 HA CYS 25 HA CYS 25 1.816 -0.304 0.791
200 HB2 CYS 25 2HB CYS 25 0.400 1.495 2.736
201 HB3 CYS 25 1HB CYS 25 0.363 1.813 1.003
202 H LYS 26 H LYS 26 3.314 0.469 -0.382
203 HA LYS 26 HA LYS 26 4.930 2.673 0.654
204 HB2 LYS 26 2HB LYS 26 6.131 0.644 -0.021
205 HB3 LYS 26 1HB LYS 26 5.438 0.756 -1.632
206 HG2 LYS 26 2HG LYS 26 6.595 2.903 -1.964
207 HG3 LYS 26 1HG LYS 26 7.318 2.742 -0.366
208 HD2 LYS 26 2HD LYS 26 7.708 0.851 -2.691
209 HD3 LYS 26 1HD LYS 26 8.874 2.051 -2.139
210 HE2 LYS 26 2HE LYS 26 8.993 0.891 0.036
211 HE3 LYS 26 1HE LYS 26 7.867 -0.322 -0.565
212 HZ1 LYS 26 1HZ LYS 26 9.488 -0.838 -2.317
213 HZ2 LYS 26 2HZ LYS 26 10.069 -1.151 -0.775
214 HZ3 LYS 26 3HZ LYS 26 10.594 0.221 -1.603
215 H LYS 27 H LYS 27 4.423 4.597 -0.116
216 HA LYS 27 HA LYS 27 2.675 4.764 -2.405
217 HB2 LYS 27 2HB LYS 27 2.658 7.191 -2.000
218 HB3 LYS 27 1HB LYS 27 2.143 6.249 -0.614
219 HG2 LYS 27 2HG LYS 27 4.390 6.568 0.378
220 HG3 LYS 27 1HG LYS 27 4.829 7.563 -1.016
221 HD2 LYS 27 2HD LYS 27 3.069 9.147 -0.437
222 HD3 LYS 27 1HD LYS 27 2.587 8.137 0.925
223 HE2 LYS 27 2HE LYS 27 4.857 8.448 1.887
224 HE3 LYS 27 1HE LYS 27 5.224 9.554 0.564
225 HZ1 LYS 27 1HZ LYS 27 3.414 10.974 1.316
226 HZ2 LYS 27 2HZ LYS 27 4.517 10.747 2.563
227 HZ3 LYS 27 3HZ LYS 27 3.059 9.915 2.558
228 H LYS 28 H LYS 28 3.147 5.340 -4.324
229 HA LYS 28 HA LYS 28 5.974 5.633 -4.847
230 HB2 LYS 28 2HB LYS 28 4.882 3.950 -6.241
231 HB3 LYS 28 1HB LYS 28 3.712 5.133 -6.803
232 HG2 LYS 28 2HG LYS 28 5.366 6.310 -8.048
233 HG3 LYS 28 1HG LYS 28 6.672 5.402 -7.293
234 HD2 LYS 28 2HD LYS 28 5.955 3.378 -8.408
235 HD3 LYS 28 1HD LYS 28 4.547 4.207 -9.073
236 HE2 LYS 28 2HE LYS 28 6.446 3.913 -10.685
237 HE3 LYS 28 1HE LYS 28 5.921 5.577 -10.471
238 HZ1 LYS 28 1HZ LYS 28 7.801 6.054 -9.159
239 HZ2 LYS 28 2HZ LYS 28 8.390 5.237 -10.489
240 HZ3 LYS 28 3HZ LYS 28 8.276 4.442 -9.017
241 H LEU 29 H LEU 29 6.260 7.553 -4.071
242 HA LEU 29 HA LEU 29 4.903 9.823 -5.300
243 HB2 LEU 29 2HB LEU 29 5.188 9.634 -2.814
244 HB3 LEU 29 1HB LEU 29 6.918 9.692 -3.037
245 HG LEU 29 HG LEU 29 6.665 11.980 -3.967
246 HD11 LEU 29 1HD1 LEU 29 4.575 13.186 -3.589
247 HD12 LEU 29 2HD1 LEU 29 3.806 11.681 -3.087
248 HD13 LEU 29 3HD1 LEU 29 4.382 11.868 -4.744
249 HD21 LEU 29 1HD2 LEU 29 5.575 11.546 -1.192
250 HD22 LEU 29 2HD2 LEU 29 6.245 13.058 -1.810
251 HD23 LEU 29 3HD2 LEU 29 7.277 11.637 -1.643
252 H TRP 30 H TRP 30 7.299 7.836 -5.924
253 HA TRP 30 HA TRP 30 9.330 9.670 -6.881
254 HB2 TRP 30 2HB TRP 30 9.886 7.470 -5.751
255 HB3 TRP 30 1HB TRP 30 9.146 6.654 -7.119
256 HD1 TRP 30 HD TRP 30 10.446 7.142 -9.579
257 HE1 TRP 30 1HE TRP 30 12.970 7.335 -10.022
258 HE3 TRP 30 3HE TRP 30 12.017 8.118 -4.820
259 HZ2 TRP 30 2HZ TRP 30 15.330 7.830 -8.533
260 HZ3 TRP 30 3HZ TRP 30 14.422 8.432 -4.413
261 HH2 TRP 30 HH TRP 30 16.039 8.290 -6.236
Start of MODEL 18
1 H1 TYR 1 1HT TYR 1 -12.988 -0.398 1.061
2 H2 TYR 1 2HT TYR 1 -13.870 -0.288 2.509
3 H3 TYR 1 3HT TYR 1 -12.493 -1.281 2.398
4 HA TYR 1 HA TYR 1 -12.442 1.627 2.057
5 HB2 TYR 1 2HB TYR 1 -12.954 0.772 4.412
6 HB3 TYR 1 1HB TYR 1 -11.372 0.002 4.394
7 HD1 TYR 1 1HD TYR 1 -9.602 1.202 5.345
8 HD2 TYR 1 2HD TYR 1 -12.924 3.336 3.768
9 HE1 TYR 1 1HE TYR 1 -8.606 3.311 6.087
10 HE2 TYR 1 2HE TYR 1 -11.940 5.434 4.500
11 HH TYR 1 HH TYR 1 -8.772 5.724 5.380
12 H CYS 2 H CYS 2 -10.031 2.267 2.333
13 HA CYS 2 HA CYS 2 -8.394 0.266 0.942
14 HB2 CYS 2 2HB CYS 2 -9.333 2.111 -0.538
15 HB3 CYS 2 1HB CYS 2 -8.367 3.218 0.440
16 H GLN 3 H GLN 3 -6.128 0.558 1.287
17 HA GLN 3 HA GLN 3 -5.645 1.292 4.056
18 HB2 GLN 3 2HB GLN 3 -3.676 0.096 2.092
19 HB3 GLN 3 1HB GLN 3 -3.474 0.251 3.816
20 HG2 GLN 3 2HG GLN 3 -5.538 -1.477 2.470
21 HG3 GLN 3 1HG GLN 3 -4.029 -2.034 3.188
22 HE21 GLN 3 1HE2 GLN 3 -3.804 -1.999 5.428
23 HE22 GLN 3 2HE2 GLN 3 -5.190 -1.872 6.462
24 H LYS 4 H LYS 4 -3.999 2.658 4.740
25 HA LYS 4 HA LYS 4 -3.502 4.913 2.966
26 HB2 LYS 4 2HB LYS 4 -2.967 4.550 5.934
27 HB3 LYS 4 1HB LYS 4 -2.823 6.055 5.035
28 HG2 LYS 4 2HG LYS 4 -5.209 6.023 4.562
29 HG3 LYS 4 1HG LYS 4 -5.370 4.503 5.431
30 HD2 LYS 4 2HD LYS 4 -6.124 6.138 6.940
31 HD3 LYS 4 1HD LYS 4 -4.489 5.780 7.468
32 HE2 LYS 4 2HE LYS 4 -5.258 8.145 5.740
33 HE3 LYS 4 1HE LYS 4 -5.092 8.214 7.485
34 HZ1 LYS 4 1HZ LYS 4 -2.736 7.584 7.188
35 HZ2 LYS 4 2HZ LYS 4 -3.148 9.039 6.471
36 HZ3 LYS 4 3HZ LYS 4 -2.936 7.691 5.505
37 H TRP 5 H TRP 5 -1.223 5.824 2.951
38 HA TRP 5 HA TRP 5 0.518 3.701 2.179
39 HB2 TRP 5 2HB TRP 5 2.181 5.361 1.553
40 HB3 TRP 5 1HB TRP 5 0.603 5.947 1.055
41 HD1 TRP 5 HD TRP 5 3.295 6.558 3.746
42 HE1 TRP 5 1HE TRP 5 3.041 8.938 4.643
43 HE3 TRP 5 3HE TRP 5 -0.931 7.945 1.222
44 HZ2 TRP 5 2HZ TRP 5 1.335 11.099 4.334
45 HZ3 TRP 5 3HZ TRP 5 -1.792 10.208 1.572
46 HH2 TRP 5 HH TRP 5 -0.685 11.764 3.093
47 H MET 6 H MET 6 0.076 5.353 5.092
48 HA MET 6 HA MET 6 2.619 4.640 6.243
49 HB2 MET 6 2HB MET 6 1.498 6.689 6.936
50 HB3 MET 6 1HB MET 6 0.094 5.776 7.454
51 HG2 MET 6 2HG MET 6 1.357 4.738 9.213
52 HG3 MET 6 1HG MET 6 2.826 5.526 8.647
53 HE1 MET 6 1HE MET 6 1.737 5.616 11.674
54 HE2 MET 6 2HE MET 6 2.060 7.304 12.075
55 HE3 MET 6 3HE MET 6 3.233 6.379 11.139
56 H TRP 7 H TRP 7 -0.306 3.140 5.721
57 HA TRP 7 HA TRP 7 -0.135 1.273 7.943
58 HB2 TRP 7 2HB TRP 7 -2.081 1.540 5.650
59 HB3 TRP 7 1HB TRP 7 -2.154 0.215 6.792
60 HD1 TRP 7 HD TRP 7 -1.298 3.114 8.839
61 HE1 TRP 7 1HE TRP 7 -3.410 4.168 9.885
62 HE3 TRP 7 3HE TRP 7 -4.855 0.821 5.984
63 HZ2 TRP 7 2HZ TRP 7 -6.201 4.039 9.534
64 HZ3 TRP 7 3HZ TRP 7 -7.215 1.338 6.397
65 HH2 TRP 7 HH TRP 7 -7.872 2.916 8.144
66 H THR 8 H THR 8 -0.862 -1.099 6.854
67 HA THR 8 HA THR 8 1.222 -1.688 4.915
68 HB THR 8 HB THR 8 1.481 -3.896 6.120
69 HG1 THR 8 1HG THR 8 0.688 -3.645 8.422
70 HG21 THR 8 1HG2 THR 8 1.977 -1.440 7.811
71 HG22 THR 8 2HG2 THR 8 3.098 -2.118 6.642
72 HG23 THR 8 3HG2 THR 8 2.701 -3.013 8.104
73 H CYS 9 H CYS 9 0.538 -3.944 3.654
74 HA CYS 9 HA CYS 9 -2.277 -4.327 4.005
75 HB2 CYS 9 2HB CYS 9 -2.662 -4.338 1.551
76 HB3 CYS 9 1HB CYS 9 -2.209 -2.765 2.178
77 H ASP 10 H ASP 10 -2.812 -6.204 2.194
78 HA ASP 10 HA ASP 10 -0.868 -8.367 2.576
79 HB2 ASP 10 2HB ASP 10 -3.809 -8.480 3.340
80 HB3 ASP 10 1HB ASP 10 -2.757 -9.870 3.220
81 H SER 11 H SER 11 -2.298 -10.351 1.484
82 HA SER 11 HA SER 11 -3.006 -9.554 -1.145
83 HB2 SER 11 2HB SER 11 -3.621 -12.127 0.334
84 HB3 SER 11 1HB SER 11 -3.532 -11.915 -1.420
85 HG SER 11 HG SER 11 -1.588 -12.785 -0.709
86 H GLU 12 H GLU 12 -4.561 -10.063 1.897
87 HA GLU 12 HA GLU 12 -7.296 -10.010 1.013
88 HB2 GLU 12 2HB GLU 12 -6.149 -9.532 3.778
89 HB3 GLU 12 1HB GLU 12 -7.813 -9.944 3.396
90 HG2 GLU 12 2HG GLU 12 -7.169 -12.141 2.691
91 HG3 GLU 12 1HG GLU 12 -5.461 -11.734 2.836
92 H ARG 13 H ARG 13 -5.619 -7.829 3.290
93 HA ARG 13 HA ARG 13 -7.244 -5.567 2.745
94 HB2 ARG 13 2HB ARG 13 -4.485 -5.709 4.006
95 HB3 ARG 13 1HB ARG 13 -5.518 -4.295 4.011
96 HG2 ARG 13 2HG ARG 13 -7.156 -5.529 5.380
97 HG3 ARG 13 1HG ARG 13 -6.062 -6.915 5.402
98 HD2 ARG 13 2HD ARG 13 -5.420 -4.153 6.453
99 HD3 ARG 13 1HD ARG 13 -5.870 -5.534 7.452
100 HE ARG 13 HE ARG 13 -3.768 -6.538 6.206
101 HH11 ARG 13 1HH1 ARG 13 -4.062 -3.355 7.764
102 HH12 ARG 13 2HH1 ARG 13 -2.395 -3.191 8.039
103 HH21 ARG 13 1HH2 ARG 13 -1.524 -6.326 6.649
104 HH22 ARG 13 2HH2 ARG 13 -0.926 -4.898 7.397
105 H LYS 14 H LYS 14 -7.140 -4.315 1.001
106 HA LYS 14 HA LYS 14 -4.720 -4.524 -0.604
107 HB2 LYS 14 2HB LYS 14 -6.186 -3.820 -2.520
108 HB3 LYS 14 1HB LYS 14 -6.537 -5.393 -1.821
109 HG2 LYS 14 2HG LYS 14 -8.391 -4.350 -0.539
110 HG3 LYS 14 1HG LYS 14 -8.059 -2.840 -1.386
111 HD2 LYS 14 2HD LYS 14 -9.910 -4.008 -2.447
112 HD3 LYS 14 1HD LYS 14 -8.519 -3.964 -3.528
113 HE2 LYS 14 2HE LYS 14 -9.584 -6.159 -3.565
114 HE3 LYS 14 1HE LYS 14 -7.955 -6.270 -2.913
115 HZ1 LYS 14 1HZ LYS 14 -9.530 -7.587 -1.652
116 HZ2 LYS 14 2HZ LYS 14 -10.462 -6.224 -1.319
117 HZ3 LYS 14 3HZ LYS 14 -8.917 -6.364 -0.666
118 H CYS 15 H CYS 15 -3.548 -2.861 -1.046
119 HA CYS 15 HA CYS 15 -4.177 -0.379 0.298
120 HB2 CYS 15 2HB CYS 15 -1.901 -1.649 0.273
121 HB3 CYS 15 1HB CYS 15 -1.703 -0.926 -1.314
122 H CYS 16 H CYS 16 -3.792 1.693 -0.894
123 HA CYS 16 HA CYS 16 -5.560 1.709 -3.076
124 HB2 CYS 16 2HB CYS 16 -3.853 3.904 -1.925
125 HB3 CYS 16 1HB CYS 16 -5.102 4.142 -3.141
126 H LYS 17 H LYS 17 -5.290 2.308 -5.175
127 HA LYS 17 HA LYS 17 -2.815 1.643 -6.392
128 HB2 LYS 17 2HB LYS 17 -5.338 2.905 -7.478
129 HB3 LYS 17 1HB LYS 17 -3.981 2.386 -8.477
130 HG2 LYS 17 2HG LYS 17 -4.276 0.120 -7.861
131 HG3 LYS 17 1HG LYS 17 -5.443 0.536 -6.614
132 HD2 LYS 17 2HD LYS 17 -6.958 1.356 -8.373
133 HD3 LYS 17 1HD LYS 17 -5.787 0.833 -9.589
134 HE2 LYS 17 2HE LYS 17 -7.555 -0.822 -9.278
135 HE3 LYS 17 1HE LYS 17 -5.981 -1.461 -8.810
136 HZ1 LYS 17 1HZ LYS 17 -7.999 -0.391 -6.906
137 HZ2 LYS 17 2HZ LYS 17 -6.551 -1.137 -6.493
138 HZ3 LYS 17 3HZ LYS 17 -7.778 -2.020 -7.226
139 H GLY 18 H GLY 18 -1.309 3.014 -7.217
140 HA2 GLY 18 2HA GLY 18 -0.326 5.159 -7.435
141 HA3 GLY 18 1HA GLY 18 -1.538 5.794 -6.311
142 H MET 19 H MET 19 -0.791 2.874 -5.184
143 HA MET 19 HA MET 19 1.624 3.600 -3.727
144 HB2 MET 19 2HB MET 19 -0.895 2.343 -2.583
145 HB3 MET 19 1HB MET 19 0.625 2.501 -1.722
146 HG2 MET 19 2HG MET 19 0.454 4.826 -1.661
147 HG3 MET 19 1HG MET 19 -0.937 4.854 -2.759
148 HE1 MET 19 1HE MET 19 -2.614 6.063 0.520
149 HE2 MET 19 2HE MET 19 -2.520 6.266 -1.228
150 HE3 MET 19 3HE MET 19 -1.087 6.531 -0.237
151 H VAL 20 H VAL 20 2.595 1.597 -2.890
152 HA VAL 20 HA VAL 20 2.086 -0.633 -4.731
153 HB VAL 20 HB VAL 20 4.555 -0.066 -3.052
154 HG11 VAL 20 1HG1 VAL 20 4.220 -2.439 -3.482
155 HG12 VAL 20 2HG1 VAL 20 5.621 -1.824 -4.359
156 HG13 VAL 20 3HG1 VAL 20 4.105 -2.119 -5.214
157 HG21 VAL 20 1HG2 VAL 20 4.334 1.591 -4.816
158 HG22 VAL 20 2HG2 VAL 20 4.123 0.315 -6.014
159 HG23 VAL 20 3HG2 VAL 20 5.665 0.492 -5.177
160 H CYS 21 H CYS 21 1.213 -2.392 -3.885
161 HA CYS 21 HA CYS 21 0.761 -2.413 -1.029
162 HB2 CYS 21 2HB CYS 21 -1.125 -2.716 -2.687
163 HB3 CYS 21 1HB CYS 21 -0.392 -4.257 -3.116
164 H ARG 22 H ARG 22 2.122 -3.445 0.152
165 HA ARG 22 HA ARG 22 3.130 -6.063 -0.601
166 HB2 ARG 22 2HB ARG 22 4.764 -3.662 0.184
167 HB3 ARG 22 1HB ARG 22 5.378 -5.258 0.473
168 HG2 ARG 22 2HG ARG 22 4.748 -4.028 -2.185
169 HG3 ARG 22 1HG ARG 22 6.307 -4.302 -1.357
170 HD2 ARG 22 2HD ARG 22 5.922 -5.976 -3.141
171 HD3 ARG 22 1HD ARG 22 6.071 -6.694 -1.548
172 HE ARG 22 HE ARG 22 3.416 -6.158 -2.651
173 HH11 ARG 22 1HH1 ARG 22 5.879 -8.552 -1.730
174 HH12 ARG 22 2HH1 ARG 22 4.800 -9.874 -1.737
175 HH21 ARG 22 1HH2 ARG 22 1.941 -7.975 -2.655
176 HH22 ARG 22 2HH2 ARG 22 2.510 -9.537 -2.268
177 H LEU 23 H LEU 23 4.769 -6.229 1.575
178 HA LEU 23 HA LEU 23 3.059 -6.848 3.722
179 HB2 LEU 23 2HB LEU 23 6.011 -6.247 3.745
180 HB3 LEU 23 1HB LEU 23 5.146 -6.630 5.215
181 HG LEU 23 HG LEU 23 5.422 -8.466 2.832
182 HD11 LEU 23 1HD1 LEU 23 6.906 -9.751 4.284
183 HD12 LEU 23 2HD1 LEU 23 6.765 -8.510 5.529
184 HD13 LEU 23 3HD1 LEU 23 7.538 -8.132 3.990
185 HD21 LEU 23 1HD2 LEU 23 4.242 -8.918 5.572
186 HD22 LEU 23 2HD2 LEU 23 4.515 -10.162 4.357
187 HD23 LEU 23 3HD2 LEU 23 3.353 -8.876 4.047
188 H TRP 24 H TRP 24 4.541 -3.864 2.823
189 HA TRP 24 HA TRP 24 2.869 -2.573 4.777
190 HB2 TRP 24 2HB TRP 24 4.568 -0.929 5.306
191 HB3 TRP 24 1HB TRP 24 5.300 -2.511 5.516
192 HD1 TRP 24 HD TRP 24 5.507 0.627 3.539
193 HE1 TRP 24 1HE TRP 24 7.609 0.640 2.059
194 HE3 TRP 24 3HE TRP 24 6.882 -4.211 4.195
195 HZ2 TRP 24 2HZ TRP 24 9.612 -1.242 1.264
196 HZ3 TRP 24 3HZ TRP 24 8.888 -5.049 3.047
197 HH2 TRP 24 HH TRP 24 10.223 -3.590 1.616
198 H CYS 25 H CYS 25 2.293 -0.291 3.959
199 HA CYS 25 HA CYS 25 2.090 -0.361 1.081
200 HB2 CYS 25 2HB CYS 25 0.913 1.474 3.166
201 HB3 CYS 25 1HB CYS 25 0.797 1.794 1.439
202 H LYS 26 H LYS 26 2.961 1.101 -0.283
203 HA LYS 26 HA LYS 26 4.925 2.972 0.810
204 HB2 LYS 26 2HB LYS 26 6.089 0.882 0.203
205 HB3 LYS 26 1HB LYS 26 5.361 0.940 -1.393
206 HG2 LYS 26 2HG LYS 26 6.601 2.962 -1.900
207 HG3 LYS 26 1HG LYS 26 7.285 2.958 -0.280
208 HD2 LYS 26 2HD LYS 26 8.890 2.055 -1.898
209 HD3 LYS 26 1HD LYS 26 8.389 0.804 -0.762
210 HE2 LYS 26 2HE LYS 26 6.876 -0.134 -2.395
211 HE3 LYS 26 1HE LYS 26 7.206 1.184 -3.514
212 HZ1 LYS 26 1HZ LYS 26 8.421 -0.812 -4.104
213 HZ2 LYS 26 2HZ LYS 26 9.158 -0.866 -2.601
214 HZ3 LYS 26 3HZ LYS 26 9.497 0.403 -3.664
215 H LYS 27 H LYS 27 5.097 4.843 -0.481
216 HA LYS 27 HA LYS 27 2.864 5.455 -2.128
217 HB2 LYS 27 2HB LYS 27 3.943 7.596 -2.502
218 HB3 LYS 27 1HB LYS 27 4.031 7.163 -0.800
219 HG2 LYS 27 2HG LYS 27 6.362 6.455 -1.097
220 HG3 LYS 27 1HG LYS 27 6.255 6.852 -2.806
221 HD2 LYS 27 2HD LYS 27 5.921 9.167 -2.313
222 HD3 LYS 27 1HD LYS 27 5.831 8.837 -0.585
223 HE2 LYS 27 2HE LYS 27 8.232 8.410 -2.360
224 HE3 LYS 27 1HE LYS 27 8.016 9.731 -1.215
225 HZ1 LYS 27 1HZ LYS 27 7.908 8.028 0.574
226 HZ2 LYS 27 2HZ LYS 27 9.371 8.077 -0.216
227 HZ3 LYS 27 3HZ LYS 27 8.296 6.837 -0.564
228 H LYS 28 H LYS 28 3.008 6.265 -4.363
229 HA LYS 28 HA LYS 28 5.255 5.568 -5.974
230 HB2 LYS 28 2HB LYS 28 3.708 3.490 -5.745
231 HB3 LYS 28 1HB LYS 28 2.518 4.439 -6.613
232 HG2 LYS 28 2HG LYS 28 3.594 2.991 -8.173
233 HG3 LYS 28 1HG LYS 28 4.147 4.644 -8.482
234 HD2 LYS 28 2HD LYS 28 6.231 4.234 -7.362
235 HD3 LYS 28 1HD LYS 28 5.670 2.669 -6.784
236 HE2 LYS 28 2HE LYS 28 7.198 2.335 -8.617
237 HE3 LYS 28 1HE LYS 28 5.577 1.884 -9.126
238 HZ1 LYS 28 1HZ LYS 28 6.874 4.481 -9.753
239 HZ2 LYS 28 2HZ LYS 28 5.410 3.914 -10.411
240 HZ3 LYS 28 3HZ LYS 28 6.854 3.158 -10.761
241 H LEU 29 H LEU 29 5.011 6.786 -7.960
242 HA LEU 29 HA LEU 29 2.815 8.713 -7.850
243 HB2 LEU 29 2HB LEU 29 5.503 8.881 -9.253
244 HB3 LEU 29 1HB LEU 29 4.218 10.029 -9.516
245 HG LEU 29 HG LEU 29 5.787 11.044 -8.066
246 HD11 LEU 29 1HD1 LEU 29 3.497 11.512 -7.512
247 HD12 LEU 29 2HD1 LEU 29 4.508 11.527 -6.072
248 HD13 LEU 29 3HD1 LEU 29 3.462 10.147 -6.394
249 HD21 LEU 29 1HD2 LEU 29 5.575 8.641 -6.250
250 HD22 LEU 29 2HD2 LEU 29 6.513 10.100 -5.922
251 HD23 LEU 29 3HD2 LEU 29 6.951 9.049 -7.269
252 H TRP 30 H TRP 30 4.827 7.352 -10.397
253 HA TRP 30 HA TRP 30 2.502 6.088 -11.559
254 HB2 TRP 30 2HB TRP 30 4.488 7.785 -13.130
255 HB3 TRP 30 1HB TRP 30 3.256 6.767 -13.842
256 HD1 TRP 30 HD TRP 30 3.919 10.241 -12.965
257 HE1 TRP 30 1HE TRP 30 1.765 11.660 -13.047
258 HE3 TRP 30 3HE TRP 30 0.468 6.484 -13.048
259 HZ2 TRP 30 2HZ TRP 30 -1.018 11.240 -13.126
260 HZ3 TRP 30 3HZ TRP 30 -1.921 7.071 -13.120
261 HH2 TRP 30 HH TRP 30 -2.644 9.405 -13.156
Start of MODEL 19
1 H1 TYR 1 1HT TYR 1 -12.287 0.514 5.029
2 H2 TYR 1 2HT TYR 1 -10.713 0.987 4.591
3 H3 TYR 1 3HT TYR 1 -11.093 -0.630 4.745
4 HA TYR 1 HA TYR 1 -12.536 -0.628 2.928
5 HB2 TYR 1 2HB TYR 1 -11.784 2.298 2.573
6 HB3 TYR 1 1HB TYR 1 -12.825 1.359 1.522
7 HD1 TYR 1 1HD TYR 1 -12.608 3.244 4.635
8 HD2 TYR 1 2HD TYR 1 -15.113 0.750 2.259
9 HE1 TYR 1 1HE TYR 1 -14.537 3.967 5.936
10 HE2 TYR 1 2HE TYR 1 -17.060 1.468 3.555
11 HH TYR 1 HH TYR 1 -17.549 2.406 5.824
12 H CYS 2 H CYS 2 -9.739 1.611 2.826
13 HA CYS 2 HA CYS 2 -8.364 -0.278 1.090
14 HB2 CYS 2 2HB CYS 2 -9.408 1.490 -0.258
15 HB3 CYS 2 1HB CYS 2 -8.634 2.693 0.782
16 H GLN 3 H GLN 3 -6.035 0.138 1.137
17 HA GLN 3 HA GLN 3 -5.324 0.975 3.809
18 HB2 GLN 3 2HB GLN 3 -3.806 -0.765 1.882
19 HB3 GLN 3 1HB GLN 3 -3.169 -0.241 3.436
20 HG2 GLN 3 2HG GLN 3 -5.629 -1.891 2.972
21 HG3 GLN 3 1HG GLN 3 -4.056 -2.471 3.535
22 HE21 GLN 3 1HE2 GLN 3 -3.410 -2.008 5.597
23 HE22 GLN 3 2HE2 GLN 3 -4.520 -1.450 6.815
24 H LYS 4 H LYS 4 -4.103 2.623 4.263
25 HA LYS 4 HA LYS 4 -3.355 4.426 2.120
26 HB2 LYS 4 2HB LYS 4 -3.133 4.765 5.109
27 HB3 LYS 4 1HB LYS 4 -2.935 6.024 3.905
28 HG2 LYS 4 2HG LYS 4 -5.286 5.778 3.274
29 HG3 LYS 4 1HG LYS 4 -5.472 4.521 4.503
30 HD2 LYS 4 2HD LYS 4 -4.754 6.172 6.213
31 HD3 LYS 4 1HD LYS 4 -4.745 7.410 4.957
32 HE2 LYS 4 2HE LYS 4 -7.132 5.792 5.842
33 HE3 LYS 4 1HE LYS 4 -6.807 7.465 6.280
34 HZ1 LYS 4 1HZ LYS 4 -8.396 7.342 4.519
35 HZ2 LYS 4 2HZ LYS 4 -7.353 6.440 3.546
36 HZ3 LYS 4 3HZ LYS 4 -6.982 8.040 3.909
37 H TRP 5 H TRP 5 -1.262 5.624 2.513
38 HA TRP 5 HA TRP 5 0.974 4.018 2.045
39 HB2 TRP 5 2HB TRP 5 2.252 6.102 2.177
40 HB3 TRP 5 1HB TRP 5 0.724 6.413 1.358
41 HD1 TRP 5 HD TRP 5 2.708 7.357 4.438
42 HE1 TRP 5 1HE TRP 5 1.462 9.153 5.788
43 HE3 TRP 5 3HE TRP 5 -1.751 7.368 1.906
44 HZ2 TRP 5 2HZ TRP 5 -1.043 10.414 5.783
45 HZ3 TRP 5 3HZ TRP 5 -3.505 8.891 2.657
46 HH2 TRP 5 HH TRP 5 -3.157 10.392 4.557
47 H MET 6 H MET 6 -0.345 5.292 4.942
48 HA MET 6 HA MET 6 1.959 4.821 6.596
49 HB2 MET 6 2HB MET 6 0.504 5.623 8.427
50 HB3 MET 6 1HB MET 6 0.596 6.742 7.073
51 HG2 MET 6 2HG MET 6 -1.569 5.951 6.266
52 HG3 MET 6 1HG MET 6 -1.663 4.823 7.614
53 HE1 MET 6 1HE MET 6 -0.497 6.599 10.020
54 HE2 MET 6 2HE MET 6 -1.907 5.546 10.111
55 HE3 MET 6 3HE MET 6 -2.020 7.218 10.664
56 H TRP 7 H TRP 7 -0.443 2.834 5.409
57 HA TRP 7 HA TRP 7 -0.335 1.139 7.790
58 HB2 TRP 7 2HB TRP 7 -2.446 1.236 5.617
59 HB3 TRP 7 1HB TRP 7 -2.433 0.073 6.929
60 HD1 TRP 7 HD TRP 7 -1.559 2.618 9.054
61 HE1 TRP 7 1HE TRP 7 -3.525 4.079 9.892
62 HE3 TRP 7 3HE TRP 7 -5.023 1.384 5.567
63 HZ2 TRP 7 2HZ TRP 7 -6.185 4.626 9.142
64 HZ3 TRP 7 3HZ TRP 7 -7.259 2.402 5.676
65 HH2 TRP 7 HH TRP 7 -7.823 3.986 7.443
66 H THR 8 H THR 8 -0.957 -1.277 6.800
67 HA THR 8 HA THR 8 1.140 -1.726 4.825
68 HB THR 8 HB THR 8 1.548 -3.893 6.002
69 HG1 THR 8 1HG THR 8 0.240 -3.270 8.298
70 HG21 THR 8 1HG2 THR 8 2.871 -1.925 6.707
71 HG22 THR 8 2HG2 THR 8 2.538 -2.983 8.077
72 HG23 THR 8 3HG2 THR 8 1.609 -1.501 7.857
73 H CYS 9 H CYS 9 0.616 -4.064 3.579
74 HA CYS 9 HA CYS 9 -2.259 -4.426 3.692
75 HB2 CYS 9 2HB CYS 9 -2.489 -4.440 1.329
76 HB3 CYS 9 1HB CYS 9 -1.646 -2.959 1.762
77 H ASP 10 H ASP 10 -2.855 -6.398 2.355
78 HA ASP 10 HA ASP 10 -0.928 -8.590 2.512
79 HB2 ASP 10 2HB ASP 10 -3.715 -8.713 3.761
80 HB3 ASP 10 1HB ASP 10 -2.592 -10.047 3.622
81 H SER 11 H SER 11 -2.683 -10.588 1.743
82 HA SER 11 HA SER 11 -3.467 -9.832 -0.879
83 HB2 SER 11 2HB SER 11 -4.243 -12.274 0.734
84 HB3 SER 11 1HB SER 11 -4.413 -12.106 -1.015
85 HG SER 11 HG SER 11 -2.138 -12.486 0.544
86 H GLU 12 H GLU 12 -4.961 -9.756 2.167
87 HA GLU 12 HA GLU 12 -7.710 -9.549 1.276
88 HB2 GLU 12 2HB GLU 12 -6.473 -8.964 3.947
89 HB3 GLU 12 1HB GLU 12 -8.178 -9.221 3.616
90 HG2 GLU 12 2HG GLU 12 -7.841 -11.505 3.185
91 HG3 GLU 12 1HG GLU 12 -6.087 -11.308 3.131
92 H ARG 13 H ARG 13 -5.769 -7.429 3.355
93 HA ARG 13 HA ARG 13 -7.164 -5.028 2.622
94 HB2 ARG 13 2HB ARG 13 -4.537 -5.414 4.082
95 HB3 ARG 13 1HB ARG 13 -5.451 -3.925 3.994
96 HG2 ARG 13 2HG ARG 13 -7.211 -4.886 5.322
97 HG3 ARG 13 1HG ARG 13 -6.387 -6.446 5.341
98 HD2 ARG 13 2HD ARG 13 -5.296 -3.857 6.465
99 HD3 ARG 13 1HD ARG 13 -5.978 -5.166 7.427
100 HE ARG 13 HE ARG 13 -4.042 -6.485 6.207
101 HH11 ARG 13 1HH1 ARG 13 -3.850 -3.313 7.762
102 HH12 ARG 13 2HH1 ARG 13 -2.173 -3.403 8.037
103 HH21 ARG 13 1HH2 ARG 13 -1.833 -6.623 6.614
104 HH22 ARG 13 2HH2 ARG 13 -0.982 -5.309 7.357
105 H LYS 14 H LYS 14 -6.729 -4.106 0.603
106 HA LYS 14 HA LYS 14 -3.966 -4.328 -0.301
107 HB2 LYS 14 2HB LYS 14 -4.806 -3.863 -2.616
108 HB3 LYS 14 1HB LYS 14 -5.329 -5.388 -1.931
109 HG2 LYS 14 2HG LYS 14 -7.521 -4.394 -1.428
110 HG3 LYS 14 1HG LYS 14 -6.960 -2.883 -2.150
111 HD2 LYS 14 2HD LYS 14 -7.116 -5.516 -3.624
112 HD3 LYS 14 1HD LYS 14 -8.359 -4.267 -3.690
113 HE2 LYS 14 2HE LYS 14 -6.694 -2.694 -4.608
114 HE3 LYS 14 1HE LYS 14 -5.480 -3.967 -4.562
115 HZ1 LYS 14 1HZ LYS 14 -6.798 -5.219 -6.159
116 HZ2 LYS 14 2HZ LYS 14 -6.462 -3.688 -6.765
117 HZ3 LYS 14 3HZ LYS 14 -7.980 -4.025 -6.153
118 H CYS 15 H CYS 15 -2.779 -2.599 -0.974
119 HA CYS 15 HA CYS 15 -3.319 -0.072 0.230
120 HB2 CYS 15 2HB CYS 15 -1.332 -0.685 -1.961
121 HB3 CYS 15 1HB CYS 15 -1.316 0.701 -0.884
122 H CYS 16 H CYS 16 -3.745 1.888 -0.674
123 HA CYS 16 HA CYS 16 -5.697 1.898 -2.674
124 HB2 CYS 16 2HB CYS 16 -4.170 4.153 -1.389
125 HB3 CYS 16 1HB CYS 16 -5.528 4.393 -2.487
126 H LYS 17 H LYS 17 -5.634 3.459 -4.568
127 HA LYS 17 HA LYS 17 -3.650 2.413 -6.269
128 HB2 LYS 17 2HB LYS 17 -5.876 4.378 -6.751
129 HB3 LYS 17 1HB LYS 17 -4.715 3.969 -8.002
130 HG2 LYS 17 2HG LYS 17 -6.683 2.638 -8.344
131 HG3 LYS 17 1HG LYS 17 -5.395 1.582 -7.783
132 HD2 LYS 17 2HD LYS 17 -6.349 1.672 -5.515
133 HD3 LYS 17 1HD LYS 17 -7.654 2.689 -6.121
134 HE2 LYS 17 2HE LYS 17 -8.347 0.893 -7.630
135 HE3 LYS 17 1HE LYS 17 -7.043 -0.122 -7.019
136 HZ1 LYS 17 1HZ LYS 17 -9.347 0.902 -5.441
137 HZ2 LYS 17 2HZ LYS 17 -8.059 0.090 -4.800
138 HZ3 LYS 17 3HZ LYS 17 -9.066 -0.709 -5.865
139 H GLY 18 H GLY 18 -1.905 3.205 -7.030
140 HA2 GLY 18 2HA GLY 18 -0.343 4.912 -7.531
141 HA3 GLY 18 1HA GLY 18 -1.135 5.952 -6.345
142 H MET 19 H MET 19 -0.994 2.884 -5.162
143 HA MET 19 HA MET 19 1.552 3.370 -3.811
144 HB2 MET 19 2HB MET 19 -0.977 2.168 -2.658
145 HB3 MET 19 1HB MET 19 0.562 2.301 -1.814
146 HG2 MET 19 2HG MET 19 0.448 4.669 -1.846
147 HG3 MET 19 1HG MET 19 -1.009 4.651 -2.849
148 HE1 MET 19 1HE MET 19 -2.524 6.008 0.412
149 HE2 MET 19 2HE MET 19 -2.419 6.158 -1.342
150 HE3 MET 19 3HE MET 19 -0.989 6.438 -0.345
151 H VAL 20 H VAL 20 2.554 1.436 -3.066
152 HA VAL 20 HA VAL 20 2.121 -0.821 -4.887
153 HB VAL 20 HB VAL 20 4.571 -0.104 -3.233
154 HG11 VAL 20 1HG1 VAL 20 4.232 -2.154 -5.417
155 HG12 VAL 20 2HG1 VAL 20 4.399 -2.485 -3.693
156 HG13 VAL 20 3HG1 VAL 20 5.739 -1.768 -4.586
157 HG21 VAL 20 1HG2 VAL 20 4.099 0.298 -6.190
158 HG22 VAL 20 2HG2 VAL 20 5.627 0.569 -5.353
159 HG23 VAL 20 3HG2 VAL 20 4.224 1.568 -4.973
160 H CYS 21 H CYS 21 1.445 -2.666 -4.002
161 HA CYS 21 HA CYS 21 0.904 -2.682 -1.150
162 HB2 CYS 21 2HB CYS 21 -0.822 -3.193 -2.979
163 HB3 CYS 21 1HB CYS 21 0.062 -4.687 -3.238
164 H ARG 22 H ARG 22 2.105 -3.822 0.218
165 HA ARG 22 HA ARG 22 3.349 -6.277 -0.428
166 HB2 ARG 22 2HB ARG 22 4.898 -4.382 -1.311
167 HB3 ARG 22 1HB ARG 22 5.186 -4.020 0.386
168 HG2 ARG 22 2HG ARG 22 6.124 -6.241 0.735
169 HG3 ARG 22 1HG ARG 22 5.713 -6.681 -0.923
170 HD2 ARG 22 2HD ARG 22 7.199 -5.072 -1.732
171 HD3 ARG 22 1HD ARG 22 7.537 -4.482 -0.091
172 HE ARG 22 HE ARG 22 8.030 -7.292 -0.620
173 HH11 ARG 22 1HH1 ARG 22 9.512 -4.075 -0.451
174 HH12 ARG 22 2HH1 ARG 22 11.047 -4.662 -0.027
175 HH21 ARG 22 1HH2 ARG 22 10.108 -8.089 -0.081
176 HH22 ARG 22 2HH2 ARG 22 11.418 -7.035 0.181
177 H LEU 23 H LEU 23 5.052 -6.317 1.864
178 HA LEU 23 HA LEU 23 3.449 -6.732 4.031
179 HB2 LEU 23 2HB LEU 23 6.347 -5.883 4.054
180 HB3 LEU 23 1HB LEU 23 5.489 -6.445 5.466
181 HG LEU 23 HG LEU 23 6.819 -8.224 4.757
182 HD11 LEU 23 1HD1 LEU 23 4.637 -8.943 5.407
183 HD12 LEU 23 2HD1 LEU 23 5.288 -9.998 4.152
184 HD13 LEU 23 3HD1 LEU 23 4.061 -8.800 3.744
185 HD21 LEU 23 1HD2 LEU 23 7.360 -7.434 2.504
186 HD22 LEU 23 2HD2 LEU 23 5.752 -7.923 1.954
187 HD23 LEU 23 3HD2 LEU 23 6.899 -9.133 2.506
188 H TRP 24 H TRP 24 4.531 -3.685 2.834
189 HA TRP 24 HA TRP 24 2.812 -2.470 4.737
190 HB2 TRP 24 2HB TRP 24 4.335 -0.700 5.372
191 HB3 TRP 24 1HB TRP 24 5.163 -2.221 5.655
192 HD1 TRP 24 HD TRP 24 5.326 0.937 3.773
193 HE1 TRP 24 1HE TRP 24 7.560 1.094 2.441
194 HE3 TRP 24 3HE TRP 24 6.885 -3.846 4.356
195 HZ2 TRP 24 2HZ TRP 24 9.693 -0.664 1.749
196 HZ3 TRP 24 3HZ TRP 24 9.012 -4.553 3.333
197 HH2 TRP 24 HH TRP 24 10.379 -2.993 2.061
198 H CYS 25 H CYS 25 2.122 -0.243 3.833
199 HA CYS 25 HA CYS 25 2.063 -0.417 0.953
200 HB2 CYS 25 2HB CYS 25 0.646 1.416 2.891
201 HB3 CYS 25 1HB CYS 25 0.508 1.557 1.143
202 H LYS 26 H LYS 26 2.938 0.978 -0.409
203 HA LYS 26 HA LYS 26 4.643 3.124 0.659
204 HB2 LYS 26 2HB LYS 26 6.002 1.167 0.218
205 HB3 LYS 26 1HB LYS 26 5.305 0.995 -1.384
206 HG2 LYS 26 2HG LYS 26 6.327 3.149 -2.018
207 HG3 LYS 26 1HG LYS 26 7.065 3.230 -0.420
208 HD2 LYS 26 2HD LYS 26 7.525 1.046 -2.457
209 HD3 LYS 26 1HD LYS 26 8.631 2.378 -2.124
210 HE2 LYS 26 2HE LYS 26 8.916 1.586 0.165
211 HE3 LYS 26 1HE LYS 26 7.773 0.278 -0.130
212 HZ1 LYS 26 1HZ LYS 26 10.349 0.653 -1.522
213 HZ2 LYS 26 2HZ LYS 26 9.271 -0.607 -1.788
214 HZ3 LYS 26 3HZ LYS 26 10.066 -0.471 -0.313
215 H LYS 27 H LYS 27 4.564 4.974 -0.677
216 HA LYS 27 HA LYS 27 2.557 4.974 -2.781
217 HB2 LYS 27 2HB LYS 27 4.495 7.126 -1.950
218 HB3 LYS 27 1HB LYS 27 3.195 7.322 -3.098
219 HG2 LYS 27 2HG LYS 27 1.577 6.940 -1.295
220 HG3 LYS 27 1HG LYS 27 2.924 6.805 -0.150
221 HD2 LYS 27 2HD LYS 27 3.688 9.041 -0.799
222 HD3 LYS 27 1HD LYS 27 2.329 9.175 -1.903
223 HE2 LYS 27 2HE LYS 27 0.783 9.029 -0.030
224 HE3 LYS 27 1HE LYS 27 2.139 8.869 1.085
225 HZ1 LYS 27 1HZ LYS 27 1.293 11.148 0.962
226 HZ2 LYS 27 2HZ LYS 27 1.668 11.204 -0.680
227 HZ3 LYS 27 3HZ LYS 27 2.901 11.055 0.455
228 H LYS 28 H LYS 28 3.038 5.426 -4.975
229 HA LYS 28 HA LYS 28 5.610 4.511 -5.823
230 HB2 LYS 28 2HB LYS 28 4.803 4.903 -8.097
231 HB3 LYS 28 1HB LYS 28 3.634 3.986 -7.163
232 HG2 LYS 28 2HG LYS 28 2.293 5.966 -6.860
233 HG3 LYS 28 1HG LYS 28 3.491 6.927 -7.732
234 HD2 LYS 28 2HD LYS 28 3.133 5.560 -9.715
235 HD3 LYS 28 1HD LYS 28 1.929 4.614 -8.838
236 HE2 LYS 28 2HE LYS 28 0.857 6.282 -10.215
237 HE3 LYS 28 1HE LYS 28 0.634 6.579 -8.484
238 HZ1 LYS 28 1HZ LYS 28 2.088 8.387 -8.515
239 HZ2 LYS 28 2HZ LYS 28 1.246 8.585 -9.963
240 HZ3 LYS 28 3HZ LYS 28 2.800 7.939 -9.962
241 H LEU 29 H LEU 29 7.294 5.750 -6.524
242 HA LEU 29 HA LEU 29 7.405 8.402 -5.573
243 HB2 LEU 29 2HB LEU 29 9.359 6.882 -5.654
244 HB3 LEU 29 1HB LEU 29 9.316 6.915 -7.397
245 HG LEU 29 HG LEU 29 9.826 9.438 -5.802
246 HD11 LEU 29 1HD1 LEU 29 11.445 7.762 -5.081
247 HD12 LEU 29 2HD1 LEU 29 12.210 9.006 -6.070
248 HD13 LEU 29 3HD1 LEU 29 11.849 7.426 -6.764
249 HD21 LEU 29 1HD2 LEU 29 10.987 10.141 -7.837
250 HD22 LEU 29 2HD2 LEU 29 9.323 9.689 -8.209
251 HD23 LEU 29 3HD2 LEU 29 10.640 8.584 -8.590
252 H TRP 30 H TRP 30 6.989 7.007 -8.736
253 HA TRP 30 HA TRP 30 6.757 9.679 -9.870
254 HB2 TRP 30 2HB TRP 30 8.322 8.041 -10.942
255 HB3 TRP 30 1HB TRP 30 6.939 7.020 -11.309
256 HD1 TRP 30 HD TRP 30 5.499 7.651 -13.401
257 HE1 TRP 30 1HE TRP 30 5.742 9.421 -15.256
258 HE3 TRP 30 3HE TRP 30 9.188 10.509 -11.330
259 HZ2 TRP 30 2HZ TRP 30 7.290 11.710 -15.779
260 HZ3 TRP 30 3HZ TRP 30 9.997 12.475 -12.579
261 HH2 TRP 30 HH TRP 30 9.061 13.056 -14.757
Start of MODEL 20
1 H1 TYR 1 1HT TYR 1 -9.869 0.025 5.372
2 H2 TYR 1 2HT TYR 1 -11.515 0.291 5.486
3 H3 TYR 1 3HT TYR 1 -10.582 1.262 4.462
4 HA TYR 1 HA TYR 1 -11.078 -1.642 4.191
5 HB2 TYR 1 2HB TYR 1 -13.023 -0.101 3.642
6 HB3 TYR 1 1HB TYR 1 -12.015 0.625 2.400
7 HD1 TYR 1 1HD TYR 1 -13.822 -2.395 3.417
8 HD2 TYR 1 2HD TYR 1 -11.632 -0.515 0.297
9 HE1 TYR 1 1HE TYR 1 -14.577 -4.116 1.864
10 HE2 TYR 1 2HE TYR 1 -12.382 -2.237 -1.273
11 HH TYR 1 HH TYR 1 -14.864 -4.460 -0.483
12 H CYS 2 H CYS 2 -9.978 1.215 2.325
13 HA CYS 2 HA CYS 2 -8.030 -0.438 0.958
14 HB2 CYS 2 2HB CYS 2 -9.422 1.444 -0.145
15 HB3 CYS 2 1HB CYS 2 -8.408 2.539 0.796
16 H GLN 3 H GLN 3 -5.809 0.103 1.134
17 HA GLN 3 HA GLN 3 -5.271 0.926 3.870
18 HB2 GLN 3 2HB GLN 3 -3.329 -0.450 2.007
19 HB3 GLN 3 1HB GLN 3 -3.121 -0.140 3.711
20 HG2 GLN 3 2HG GLN 3 -5.168 -1.972 2.497
21 HG3 GLN 3 1HG GLN 3 -3.704 -2.444 3.356
22 HE21 GLN 3 1HE2 GLN 3 -3.620 -2.182 5.574
23 HE22 GLN 3 2HE2 GLN 3 -5.040 -1.942 6.531
24 H LYS 4 H LYS 4 -3.952 2.479 4.486
25 HA LYS 4 HA LYS 4 -3.272 4.491 2.491
26 HB2 LYS 4 2HB LYS 4 -3.174 4.627 5.510
27 HB3 LYS 4 1HB LYS 4 -2.937 5.972 4.406
28 HG2 LYS 4 2HG LYS 4 -5.261 5.718 3.641
29 HG3 LYS 4 1HG LYS 4 -5.483 4.417 4.815
30 HD2 LYS 4 2HD LYS 4 -4.913 5.975 6.616
31 HD3 LYS 4 1HD LYS 4 -4.758 7.276 5.433
32 HE2 LYS 4 2HE LYS 4 -7.148 6.881 4.809
33 HE3 LYS 4 1HE LYS 4 -7.232 5.711 6.120
34 HZ1 LYS 4 1HZ LYS 4 -8.064 7.910 6.773
35 HZ2 LYS 4 2HZ LYS 4 -6.537 8.572 6.500
36 HZ3 LYS 4 3HZ LYS 4 -6.753 7.432 7.703
37 H TRP 5 H TRP 5 -1.173 5.662 3.016
38 HA TRP 5 HA TRP 5 0.971 3.934 2.498
39 HB2 TRP 5 2HB TRP 5 2.376 5.932 2.610
40 HB3 TRP 5 1HB TRP 5 0.902 6.254 1.708
41 HD1 TRP 5 HD TRP 5 2.778 7.261 4.834
42 HE1 TRP 5 1HE TRP 5 1.626 9.309 5.921
43 HE3 TRP 5 3HE TRP 5 -1.487 7.422 2.013
44 HZ2 TRP 5 2HZ TRP 5 -0.751 10.763 5.625
45 HZ3 TRP 5 3HZ TRP 5 -3.144 9.160 2.495
46 HH2 TRP 5 HH TRP 5 -2.782 10.796 4.258
47 H MET 6 H MET 6 -0.225 5.174 5.486
48 HA MET 6 HA MET 6 2.174 4.549 6.972
49 HB2 MET 6 2HB MET 6 0.747 6.495 7.518
50 HB3 MET 6 1HB MET 6 -0.565 5.393 7.907
51 HG2 MET 6 2HG MET 6 0.635 4.508 9.749
52 HG3 MET 6 1HG MET 6 2.073 5.413 9.280
53 HE1 MET 6 1HE MET 6 0.978 7.204 12.610
54 HE2 MET 6 2HE MET 6 2.304 6.432 11.739
55 HE3 MET 6 3HE MET 6 0.899 5.483 12.232
56 H TRP 7 H TRP 7 -0.396 2.908 5.818
57 HA TRP 7 HA TRP 7 -0.550 0.920 7.973
58 HB2 TRP 7 2HB TRP 7 -2.279 1.306 5.514
59 HB3 TRP 7 1HB TRP 7 -2.525 0.051 6.714
60 HD1 TRP 7 HD TRP 7 -1.690 3.132 8.562
61 HE1 TRP 7 1HE TRP 7 -3.817 4.312 9.392
62 HE3 TRP 7 3HE TRP 7 -5.142 0.608 5.795
63 HZ2 TRP 7 2HZ TRP 7 -6.591 4.190 8.924
64 HZ3 TRP 7 3HZ TRP 7 -7.506 1.203 6.027
65 HH2 TRP 7 HH TRP 7 -8.217 2.958 7.568
66 H THR 8 H THR 8 -1.059 -1.402 6.767
67 HA THR 8 HA THR 8 1.063 -1.744 4.791
68 HB THR 8 HB THR 8 1.533 -3.965 5.839
69 HG1 THR 8 1HG THR 8 0.460 -4.624 7.604
70 HG21 THR 8 1HG2 THR 8 2.610 -3.171 7.908
71 HG22 THR 8 2HG2 THR 8 1.640 -1.700 7.848
72 HG23 THR 8 3HG2 THR 8 2.847 -1.994 6.613
73 H CYS 9 H CYS 9 0.578 -3.901 3.348
74 HA CYS 9 HA CYS 9 -2.242 -4.506 3.611
75 HB2 CYS 9 2HB CYS 9 -2.599 -4.343 1.203
76 HB3 CYS 9 1HB CYS 9 -2.116 -2.795 1.881
77 H ASP 10 H ASP 10 -2.861 -6.415 2.339
78 HA ASP 10 HA ASP 10 -0.788 -8.287 1.694
79 HB2 ASP 10 2HB ASP 10 -2.669 -8.790 4.045
80 HB3 ASP 10 1HB ASP 10 -1.776 -10.068 3.236
81 H SER 11 H SER 11 -3.048 -10.398 2.135
82 HA SER 11 HA SER 11 -3.975 -10.152 -0.552
83 HB2 SER 11 2HB SER 11 -3.349 -12.311 0.570
84 HB3 SER 11 1HB SER 11 -4.795 -12.154 1.556
85 HG SER 11 HG SER 11 -5.716 -13.174 0.022
86 H GLU 12 H GLU 12 -5.542 -9.942 2.644
87 HA GLU 12 HA GLU 12 -8.147 -9.519 1.477
88 HB2 GLU 12 2HB GLU 12 -7.215 -9.401 4.343
89 HB3 GLU 12 1HB GLU 12 -8.887 -9.282 3.817
90 HG2 GLU 12 2HG GLU 12 -7.107 -11.651 3.316
91 HG3 GLU 12 1HG GLU 12 -8.261 -11.531 4.640
92 H ARG 13 H ARG 13 -5.804 -7.568 3.231
93 HA ARG 13 HA ARG 13 -7.386 -5.181 2.695
94 HB2 ARG 13 2HB ARG 13 -4.805 -5.568 4.199
95 HB3 ARG 13 1HB ARG 13 -5.634 -4.037 4.006
96 HG2 ARG 13 2HG ARG 13 -6.858 -6.424 5.297
97 HG3 ARG 13 1HG ARG 13 -5.966 -5.194 6.213
98 HD2 ARG 13 2HD ARG 13 -8.247 -4.646 6.442
99 HD3 ARG 13 1HD ARG 13 -7.635 -3.542 5.222
100 HE ARG 13 HE ARG 13 -8.648 -5.649 3.799
101 HH11 ARG 13 1HH1 ARG 13 -9.994 -3.430 6.212
102 HH12 ARG 13 2HH1 ARG 13 -11.589 -3.517 5.596
103 HH21 ARG 13 1HH2 ARG 13 -10.856 -5.712 2.929
104 HH22 ARG 13 2HH2 ARG 13 -12.062 -4.812 3.732
105 H LYS 14 H LYS 14 -7.137 -4.355 0.844
106 HA LYS 14 HA LYS 14 -4.577 -4.678 -0.554
107 HB2 LYS 14 2HB LYS 14 -7.215 -3.767 -1.720
108 HB3 LYS 14 1HB LYS 14 -5.743 -4.132 -2.602
109 HG2 LYS 14 2HG LYS 14 -5.938 -6.493 -1.894
110 HG3 LYS 14 1HG LYS 14 -7.436 -6.093 -1.067
111 HD2 LYS 14 2HD LYS 14 -7.949 -7.066 -3.215
112 HD3 LYS 14 1HD LYS 14 -8.402 -5.365 -3.227
113 HE2 LYS 14 2HE LYS 14 -7.313 -5.994 -5.313
114 HE3 LYS 14 1HE LYS 14 -6.322 -4.836 -4.440
115 HZ1 LYS 14 1HZ LYS 14 -5.901 -7.781 -4.451
116 HZ2 LYS 14 2HZ LYS 14 -4.904 -6.643 -3.697
117 HZ3 LYS 14 3HZ LYS 14 -5.022 -6.681 -5.361
118 H CYS 15 H CYS 15 -3.457 -2.950 -1.268
119 HA CYS 15 HA CYS 15 -3.963 -0.514 0.193
120 HB2 CYS 15 2HB CYS 15 -1.703 -1.702 -0.054
121 HB3 CYS 15 1HB CYS 15 -1.685 -1.066 -1.690
122 H CYS 16 H CYS 16 -3.703 1.566 -0.945
123 HA CYS 16 HA CYS 16 -5.548 1.568 -3.100
124 HB2 CYS 16 2HB CYS 16 -4.076 3.844 -1.780
125 HB3 CYS 16 1HB CYS 16 -5.389 4.016 -2.940
126 H LYS 17 H LYS 17 -5.231 2.287 -5.193
127 HA LYS 17 HA LYS 17 -2.703 1.744 -6.330
128 HB2 LYS 17 2HB LYS 17 -5.372 2.420 -7.342
129 HB3 LYS 17 1HB LYS 17 -4.075 3.097 -8.312
130 HG2 LYS 17 2HG LYS 17 -4.838 0.894 -9.135
131 HG3 LYS 17 1HG LYS 17 -3.136 0.909 -8.699
132 HD2 LYS 17 2HD LYS 17 -4.106 -1.149 -7.925
133 HD3 LYS 17 1HD LYS 17 -3.753 -0.152 -6.519
134 HE2 LYS 17 2HE LYS 17 -5.903 -1.210 -6.245
135 HE3 LYS 17 1HE LYS 17 -6.127 0.526 -6.449
136 HZ1 LYS 17 1HZ LYS 17 -6.454 -1.492 -8.597
137 HZ2 LYS 17 2HZ LYS 17 -6.835 0.155 -8.718
138 HZ3 LYS 17 3HZ LYS 17 -7.708 -0.856 -7.693
139 H GLY 18 H GLY 18 -1.198 3.059 -7.233
140 HA2 GLY 18 2HA GLY 18 -0.300 5.270 -7.618
141 HA3 GLY 18 1HA GLY 18 -1.261 5.827 -6.238
142 H MET 19 H MET 19 -0.725 3.248 -4.931
143 HA MET 19 HA MET 19 2.020 3.706 -3.971
144 HB2 MET 19 2HB MET 19 -0.334 2.382 -2.599
145 HB3 MET 19 1HB MET 19 1.264 2.600 -1.907
146 HG2 MET 19 2HG MET 19 0.993 4.946 -1.861
147 HG3 MET 19 1HG MET 19 -0.556 4.848 -2.718
148 HE1 MET 19 1HE MET 19 -1.777 5.957 0.745
149 HE2 MET 19 2HE MET 19 -1.826 6.226 -0.998
150 HE3 MET 19 3HE MET 19 -0.333 6.517 -0.101
151 H VAL 20 H VAL 20 2.905 1.562 -3.119
152 HA VAL 20 HA VAL 20 2.218 -0.587 -4.980
153 HB VAL 20 HB VAL 20 4.697 -0.240 -3.250
154 HG11 VAL 20 1HG1 VAL 20 4.203 -2.575 -3.715
155 HG12 VAL 20 2HG1 VAL 20 5.641 -2.061 -4.599
156 HG13 VAL 20 3HG1 VAL 20 4.102 -2.224 -5.440
157 HG21 VAL 20 1HG2 VAL 20 5.888 0.235 -5.352
158 HG22 VAL 20 2HG2 VAL 20 4.665 1.448 -4.980
159 HG23 VAL 20 3HG2 VAL 20 4.345 0.223 -6.208
160 H CYS 21 H CYS 21 1.225 -2.297 -4.135
161 HA CYS 21 HA CYS 21 0.716 -2.312 -1.304
162 HB2 CYS 21 2HB CYS 21 -1.068 -2.849 -3.023
163 HB3 CYS 21 1HB CYS 21 -0.186 -4.330 -3.380
164 H ARG 22 H ARG 22 2.203 -3.078 -0.078
165 HA ARG 22 HA ARG 22 3.706 -5.458 -0.831
166 HB2 ARG 22 2HB ARG 22 4.858 -3.258 -1.503
167 HB3 ARG 22 1HB ARG 22 4.909 -2.856 0.196
168 HG2 ARG 22 2HG ARG 22 7.049 -3.634 -0.613
169 HG3 ARG 22 1HG ARG 22 6.441 -4.754 0.591
170 HD2 ARG 22 2HD ARG 22 7.372 -5.989 -1.254
171 HD3 ARG 22 1HD ARG 22 5.624 -6.196 -1.260
172 HE ARG 22 HE ARG 22 6.815 -4.144 -2.955
173 HH11 ARG 22 1HH1 ARG 22 5.167 -7.286 -2.702
174 HH12 ARG 22 2HH1 ARG 22 4.841 -7.401 -4.364
175 HH21 ARG 22 1HH2 ARG 22 6.309 -4.321 -5.293
176 HH22 ARG 22 2HH2 ARG 22 5.456 -5.679 -5.834
177 H LEU 23 H LEU 23 5.269 -5.593 1.380
178 HA LEU 23 HA LEU 23 3.907 -6.524 3.527
179 HB2 LEU 23 2HB LEU 23 6.515 -5.028 3.567
180 HB3 LEU 23 1HB LEU 23 5.960 -6.133 4.810
181 HG LEU 23 HG LEU 23 6.578 -6.920 1.962
182 HD11 LEU 23 1HD1 LEU 23 8.203 -7.265 4.473
183 HD12 LEU 23 2HD1 LEU 23 8.556 -6.142 3.161
184 HD13 LEU 23 3HD1 LEU 23 8.612 -7.877 2.868
185 HD21 LEU 23 1HD2 LEU 23 4.949 -8.373 3.097
186 HD22 LEU 23 2HD2 LEU 23 6.083 -8.585 4.433
187 HD23 LEU 23 3HD2 LEU 23 6.482 -9.195 2.831
188 H TRP 24 H TRP 24 4.658 -3.227 2.720
189 HA TRP 24 HA TRP 24 2.787 -2.347 4.675
190 HB2 TRP 24 2HB TRP 24 4.198 -0.495 5.401
191 HB3 TRP 24 1HB TRP 24 5.110 -1.981 5.624
192 HD1 TRP 24 HD TRP 24 5.001 1.184 3.678
193 HE1 TRP 24 1HE TRP 24 7.228 1.527 2.380
194 HE3 TRP 24 3HE TRP 24 7.084 -3.350 4.547
195 HZ2 TRP 24 2HZ TRP 24 9.561 0.005 1.824
196 HZ3 TRP 24 3HZ TRP 24 9.301 -3.856 3.605
197 HH2 TRP 24 HH TRP 24 10.507 -2.206 2.274
198 H CYS 25 H CYS 25 2.027 -0.030 3.871
199 HA CYS 25 HA CYS 25 1.982 -0.115 1.008
200 HB2 CYS 25 2HB CYS 25 0.644 1.640 3.028
201 HB3 CYS 25 1HB CYS 25 0.624 2.034 1.311
202 H LYS 26 H LYS 26 3.073 1.033 -0.338
203 HA LYS 26 HA LYS 26 4.889 3.057 0.753
204 HB2 LYS 26 2HB LYS 26 6.033 0.923 0.523
205 HB3 LYS 26 1HB LYS 26 5.491 0.791 -1.137
206 HG2 LYS 26 2HG LYS 26 6.838 2.711 -1.739
207 HG3 LYS 26 1HG LYS 26 7.355 2.874 -0.060
208 HD2 LYS 26 2HD LYS 26 8.342 0.649 -0.132
209 HD3 LYS 26 1HD LYS 26 7.793 0.443 -1.790
210 HE2 LYS 26 2HE LYS 26 9.218 2.379 -2.436
211 HE3 LYS 26 1HE LYS 26 9.820 2.429 -0.780
212 HZ1 LYS 26 1HZ LYS 26 11.328 1.160 -2.175
213 HZ2 LYS 26 2HZ LYS 26 10.078 0.147 -2.648
214 HZ3 LYS 26 3HZ LYS 26 10.585 0.151 -1.055
215 H LYS 27 H LYS 27 4.608 4.894 -0.360
216 HA LYS 27 HA LYS 27 2.946 5.055 -2.643
217 HB2 LYS 27 2HB LYS 27 4.880 7.047 -1.499
218 HB3 LYS 27 1HB LYS 27 3.824 7.393 -2.845
219 HG2 LYS 27 2HG LYS 27 1.858 7.016 -1.464
220 HG3 LYS 27 1HG LYS 27 2.882 6.605 -0.091
221 HD2 LYS 27 2HD LYS 27 2.054 8.911 0.067
222 HD3 LYS 27 1HD LYS 27 3.805 8.869 -0.093
223 HE2 LYS 27 2HE LYS 27 2.806 10.640 -1.466
224 HE3 LYS 27 1HE LYS 27 3.627 9.447 -2.459
225 HZ1 LYS 27 1HZ LYS 27 1.473 8.483 -3.030
226 HZ2 LYS 27 2HZ LYS 27 1.471 10.127 -3.357
227 HZ3 LYS 27 3HZ LYS 27 0.694 9.560 -1.992
228 H LYS 28 H LYS 28 3.417 5.357 -4.747
229 HA LYS 28 HA LYS 28 6.095 4.444 -5.471
230 HB2 LYS 28 2HB LYS 28 3.988 3.116 -6.142
231 HB3 LYS 28 1HB LYS 28 3.678 4.435 -7.259
232 HG2 LYS 28 2HG LYS 28 5.819 4.022 -8.364
233 HG3 LYS 28 1HG LYS 28 6.148 2.710 -7.234
234 HD2 LYS 28 2HD LYS 28 5.340 1.690 -9.212
235 HD3 LYS 28 1HD LYS 28 4.010 1.634 -8.055
236 HE2 LYS 28 2HE LYS 28 3.082 2.277 -10.126
237 HE3 LYS 28 1HE LYS 28 3.137 3.740 -9.149
238 HZ1 LYS 28 1HZ LYS 28 5.354 4.181 -10.370
239 HZ2 LYS 28 2HZ LYS 28 3.926 4.383 -11.208
240 HZ3 LYS 28 3HZ LYS 28 4.842 3.000 -11.454
241 H LEU 29 H LEU 29 7.276 6.163 -5.809
242 HA LEU 29 HA LEU 29 6.098 8.503 -7.048
243 HB2 LEU 29 2HB LEU 29 8.842 8.043 -5.885
244 HB3 LEU 29 1HB LEU 29 8.378 9.530 -6.677
245 HG LEU 29 HG LEU 29 8.289 9.938 -4.370
246 HD11 LEU 29 1HD1 LEU 29 6.472 10.939 -5.552
247 HD12 LEU 29 2HD1 LEU 29 5.979 10.509 -3.917
248 HD13 LEU 29 3HD1 LEU 29 5.463 9.516 -5.277
249 HD21 LEU 29 1HD2 LEU 29 6.967 8.623 -2.755
250 HD22 LEU 29 2HD2 LEU 29 8.260 7.678 -3.492
251 HD23 LEU 29 3HD2 LEU 29 6.593 7.462 -4.030
252 H TRP 30 H TRP 30 8.044 5.819 -7.810
253 HA TRP 30 HA TRP 30 8.629 6.928 -10.448
254 HB2 TRP 30 2HB TRP 30 10.429 5.701 -9.075
255 HB3 TRP 30 1HB TRP 30 9.474 4.247 -9.306
256 HD1 TRP 30 HD TRP 30 11.957 6.490 -11.015
257 HE1 TRP 30 1HE TRP 30 12.630 5.496 -13.293
258 HE3 TRP 30 3HE TRP 30 8.472 2.763 -11.370
259 HZ2 TRP 30 2HZ TRP 30 11.816 3.424 -15.001
260 HZ3 TRP 30 3HZ TRP 30 8.494 1.313 -13.357
261 HH2 TRP 30 HH TRP 30 10.132 1.642 -15.137