Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644407 | 6qes RC | 34348 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 -12.362 4.046 -8.667
2 H2 LEU 1 H2 LEU 1 -13.105 4.342 -7.255
3 H3 LEU 1 H3 LEU 1 -13.551 3.067 -8.152
4 HA LEU 1 HA LEU 1 -11.452 2.010 -7.842
5 HB2 LEU 1 HB2 LEU 1 -10.931 4.514 -6.256
6 HB3 LEU 1 HB3 LEU 1 -10.032 3.040 -5.968
7 HG LEU 1 HG LEU 1 -9.408 3.146 -8.460
8 HD11 LEU 1 HD11 LEU 1 -10.341 5.981 -8.052
9 HD12 LEU 1 HD12 LEU 1 -11.010 4.806 -9.180
10 HD13 LEU 1 HD13 LEU 1 -9.374 5.412 -9.409
11 HD21 LEU 1 HD21 LEU 1 -8.372 5.233 -6.548
12 HD22 LEU 1 HD22 LEU 1 -7.545 4.655 -7.993
13 HD23 LEU 1 HD23 LEU 1 -7.840 3.555 -6.648
14 HA PRO 2 HA PRO 2 -13.144 -0.603 -4.761
15 HB2 PRO 2 HB2 PRO 2 -10.489 -0.038 -3.484
16 HB3 PRO 2 HB3 PRO 2 -11.382 -1.560 -3.556
17 HG2 PRO 2 HG2 PRO 2 -9.444 -1.072 -5.295
18 HG3 PRO 2 HG3 PRO 2 -10.946 -1.856 -5.826
19 HD2 PRO 2 HD2 PRO 2 -9.951 0.867 -6.373
20 HD3 PRO 2 HD3 PRO 2 -11.135 -0.104 -7.269
21 H ARG 3 H ARG 3 -11.053 1.220 -2.551
22 HA ARG 3 HA ARG 3 -13.185 2.775 -1.487
23 HB2 ARG 3 HB2 ARG 3 -13.403 1.686 0.697
24 HB3 ARG 3 HB3 ARG 3 -13.887 0.626 -0.603
25 HG2 ARG 3 HG2 ARG 3 -11.914 -0.677 -0.395
26 HG3 ARG 3 HG3 ARG 3 -11.193 0.491 0.713
27 HD2 ARG 3 HD2 ARG 3 -13.739 -0.996 1.312
28 HD3 ARG 3 HD3 ARG 3 -12.143 -1.577 1.789
29 HE ARG 3 HE ARG 3 -12.136 0.892 2.818
30 HH11 ARG 3 HH11 ARG 3 -14.534 -1.661 2.981
31 HH12 ARG 3 HH12 ARG 3 -15.143 -1.166 4.527
32 HH21 ARG 3 HH21 ARG 3 -12.948 1.549 4.851
33 HH22 ARG 3 HH22 ARG 3 -14.242 0.665 5.593
34 H ASP 4 H ASP 4 -10.054 1.304 -0.560
35 HA ASP 4 HA ASP 4 -9.328 3.866 0.695
36 HB2 ASP 4 HB2 ASP 4 -8.593 1.018 1.312
37 HB3 ASP 4 HB3 ASP 4 -7.541 2.338 1.799
38 H THR 5 H THR 5 -8.837 2.107 -2.055
39 HA THR 5 HA THR 5 -6.108 2.220 -2.550
40 HB THR 5 HB THR 5 -8.193 2.775 -4.652
41 HG1 THR 5 HG1 THR 5 -7.655 0.140 -4.354
42 HG21 THR 5 HG21 THR 5 -5.836 2.834 -5.349
43 HG22 THR 5 HG22 THR 5 -6.689 1.468 -6.071
44 HG23 THR 5 HG23 THR 5 -5.608 1.207 -4.702
45 H SER 6 H SER 6 -8.616 4.640 -3.253
46 HA SER 6 HA SER 6 -6.927 6.545 -4.457
47 HB2 SER 6 HB2 SER 6 -9.508 7.082 -2.968
48 HB3 SER 6 HB3 SER 6 -8.794 8.058 -4.250
49 HG SER 6 HG SER 6 -10.398 6.805 -5.152
50 H ARG 7 H ARG 7 -7.638 5.776 -1.170
51 HA ARG 7 HA ARG 7 -6.845 8.184 0.060
52 HB2 ARG 7 HB2 ARG 7 -8.161 6.653 1.297
53 HB3 ARG 7 HB3 ARG 7 -7.050 5.331 0.988
54 HG2 ARG 7 HG2 ARG 7 -5.411 6.315 2.455
55 HG3 ARG 7 HG3 ARG 7 -6.441 7.728 2.704
56 HD2 ARG 7 HD2 ARG 7 -8.172 6.270 3.662
57 HD3 ARG 7 HD3 ARG 7 -7.115 4.879 3.437
58 HE ARG 7 HE ARG 7 -5.892 6.930 4.986
59 HH11 ARG 7 HH11 ARG 7 -8.122 4.249 5.105
60 HH12 ARG 7 HH12 ARG 7 -7.910 3.974 6.808
61 HH21 ARG 7 HH21 ARG 7 -5.584 6.567 7.237
62 HH22 ARG 7 HH22 ARG 7 -6.446 5.275 8.013
63 H CYS 8 H CYS 8 -5.106 5.139 -0.520
64 HA CYS 8 HA CYS 8 -2.693 6.086 0.637
65 HB2 CYS 8 HB2 CYS 8 -3.068 3.741 -1.207
66 HB3 CYS 8 HB3 CYS 8 -1.813 3.972 0.011
67 H VAL 9 H VAL 9 -3.881 5.791 -2.692
68 HA VAL 9 HA VAL 9 -1.362 6.522 -3.846
69 HB VAL 9 HB VAL 9 -3.072 5.225 -5.099
70 HG11 VAL 9 HG11 VAL 9 -4.597 7.814 -5.222
71 HG12 VAL 9 HG12 VAL 9 -5.055 6.380 -4.303
72 HG13 VAL 9 HG13 VAL 9 -5.004 6.317 -6.065
73 HG21 VAL 9 HG21 VAL 9 -2.345 7.842 -6.403
74 HG22 VAL 9 HG22 VAL 9 -2.803 6.358 -7.238
75 HG23 VAL 9 HG23 VAL 9 -1.310 6.419 -6.301
76 H GLY 10 H GLY 10 -3.914 8.231 -2.368
77 HA2 GLY 10 HA2 GLY 10 -3.437 10.808 -3.438
78 HA3 GLY 10 HA3 GLY 10 -4.136 10.461 -1.861
79 H TYR 11 H TYR 11 -1.656 8.779 -1.337
80 HA TYR 11 HA TYR 11 0.082 10.930 -0.442
81 HB2 TYR 11 HB2 TYR 11 0.090 7.943 0.046
82 HB3 TYR 11 HB3 TYR 11 1.360 9.005 0.638
83 HD1 TYR 11 HD1 TYR 11 0.997 10.458 2.500
84 HD2 TYR 11 HD2 TYR 11 -2.195 8.086 0.989
85 HE1 TYR 11 HE1 TYR 11 -0.307 10.934 4.524
86 HE2 TYR 11 HE2 TYR 11 -3.505 8.557 3.009
87 HH TYR 11 HH TYR 11 -2.636 10.975 5.242
88 H HIS 12 H HIS 12 1.916 8.182 -1.017
89 HA HIS 12 HA HIS 12 2.579 8.731 -3.778
90 HB2 HIS 12 HB2 HIS 12 4.726 9.109 -1.672
91 HB3 HIS 12 HB3 HIS 12 4.938 9.224 -3.409
92 HD1 HIS 12 HD1 HIS 12 4.202 11.432 -4.545
93 HD2 HIS 12 HD2 HIS 12 3.624 11.336 -0.433
94 HE1 HIS 12 HE1 HIS 12 3.752 13.813 -3.874
95 HE2 HIS 12 HE2 HIS 12 3.294 13.715 -1.397
96 H GLY 13 H GLY 13 2.498 6.660 -4.451
97 HA2 GLY 13 HA2 GLY 13 4.414 4.791 -4.086
98 HA3 GLY 13 HA3 GLY 13 3.337 4.504 -2.725
99 H TYR 14 H TYR 14 2.353 2.627 -3.253
100 HA TYR 14 HA TYR 14 0.424 2.639 -5.335
101 HB2 TYR 14 HB2 TYR 14 1.364 0.799 -6.696
102 HB3 TYR 14 HB3 TYR 14 2.289 2.285 -6.810
103 HD1 TYR 14 HD1 TYR 14 4.463 2.442 -5.475
104 HD2 TYR 14 HD2 TYR 14 2.375 -1.216 -6.073
105 HE1 TYR 14 HE1 TYR 14 6.514 1.191 -4.954
106 HE2 TYR 14 HE2 TYR 14 4.418 -2.474 -5.549
107 HH TYR 14 HH TYR 14 6.844 -2.122 -5.589
108 H CYS 15 H CYS 15 -0.441 0.338 -5.694
109 HA CYS 15 HA CYS 15 -0.749 -0.868 -3.025
110 HB2 CYS 15 HB2 CYS 15 -2.710 -0.732 -5.324
111 HB3 CYS 15 HB3 CYS 15 -3.011 -1.505 -3.772
112 H ILE 16 H ILE 16 -0.386 -3.015 -2.784
113 HA ILE 16 HA ILE 16 0.060 -4.594 -5.235
114 HB ILE 16 HB ILE 16 1.873 -5.780 -4.195
115 HG12 ILE 16 HG12 ILE 16 1.437 -4.021 -1.780
116 HG13 ILE 16 HG13 ILE 16 0.982 -5.714 -1.886
117 HG21 ILE 16 HG21 ILE 16 2.244 -2.812 -3.846
118 HG22 ILE 16 HG22 ILE 16 2.469 -3.726 -5.337
119 HG23 ILE 16 HG23 ILE 16 3.539 -4.003 -3.963
120 HD11 ILE 16 HD11 ILE 16 3.349 -6.298 -2.191
121 HD12 ILE 16 HD12 ILE 16 3.031 -5.492 -0.656
122 HD13 ILE 16 HD13 ILE 16 3.772 -4.599 -1.984
123 H ARG 17 H ARG 17 -0.388 -6.811 -5.069
124 HA ARG 17 HA ARG 17 -2.199 -7.586 -2.938
125 HB2 ARG 17 HB2 ARG 17 -2.005 -9.828 -4.404
126 HB3 ARG 17 HB3 ARG 17 -3.111 -8.524 -4.792
127 HG2 ARG 17 HG2 ARG 17 -2.006 -9.300 -6.787
128 HG3 ARG 17 HG3 ARG 17 -1.500 -7.656 -6.428
129 HD2 ARG 17 HD2 ARG 17 0.222 -9.750 -5.296
130 HD3 ARG 17 HD3 ARG 17 0.175 -9.708 -7.057
131 HE ARG 17 HE ARG 17 0.648 -7.151 -6.556
132 HH11 ARG 17 HH11 ARG 17 2.066 -9.979 -5.042
133 HH12 ARG 17 HH12 ARG 17 3.598 -9.212 -4.774
134 HH21 ARG 17 HH21 ARG 17 2.661 -6.148 -6.175
135 HH22 ARG 17 HH22 ARG 17 3.924 -7.035 -5.382
136 H SER 18 H SER 18 -0.710 -7.544 -1.249
137 HA SER 18 HA SER 18 0.455 -9.955 -0.504
138 HB2 SER 18 HB2 SER 18 2.125 -9.288 -2.300
139 HB3 SER 18 HB3 SER 18 2.533 -7.893 -1.302
140 HG SER 18 HG SER 18 2.929 -10.637 -0.772
141 H LYS 19 H LYS 19 1.357 -9.762 1.671
142 HA LYS 19 HA LYS 19 0.469 -7.271 2.933
143 HB2 LYS 19 HB2 LYS 19 1.117 -9.915 4.241
144 HB3 LYS 19 HB3 LYS 19 0.405 -8.514 5.025
145 HG2 LYS 19 HG2 LYS 19 -1.290 -8.996 2.906
146 HG3 LYS 19 HG3 LYS 19 -0.849 -10.609 3.459
147 HD2 LYS 19 HD2 LYS 19 -2.794 -9.971 4.662
148 HD3 LYS 19 HD3 LYS 19 -1.439 -9.857 5.784
149 HE2 LYS 19 HE2 LYS 19 -2.865 -7.931 6.054
150 HE3 LYS 19 HE3 LYS 19 -1.330 -7.426 5.351
151 HZ1 LYS 19 HZ1 LYS 19 -3.163 -6.390 4.240
152 HZ2 LYS 19 HZ2 LYS 19 -3.838 -7.824 3.878
153 HZ3 LYS 19 HZ3 LYS 19 -2.423 -7.401 3.199
154 H VAL 20 H VAL 20 3.209 -8.386 1.679
155 HA VAL 20 HA VAL 20 4.834 -6.929 3.656
156 HB VAL 20 HB VAL 20 5.767 -9.201 1.889
157 HG11 VAL 20 HG11 VAL 20 7.266 -7.581 3.949
158 HG12 VAL 20 HG12 VAL 20 7.490 -7.499 2.201
159 HG13 VAL 20 HG13 VAL 20 7.896 -8.977 3.073
160 HG21 VAL 20 HG21 VAL 20 6.102 -10.423 3.980
161 HG22 VAL 20 HG22 VAL 20 4.411 -9.976 3.769
162 HG23 VAL 20 HG23 VAL 20 5.431 -9.069 4.884
163 H CYS 21 H CYS 21 5.178 -4.990 2.836
164 HA CYS 21 HA CYS 21 5.185 -4.502 0.008
165 HB2 CYS 21 HB2 CYS 21 5.545 -2.744 2.427
166 HB3 CYS 21 HB3 CYS 21 5.719 -2.128 0.786
167 HA PRO 22 HA PRO 22 9.581 -4.867 -0.667
168 HB2 PRO 22 HB2 PRO 22 9.631 -3.303 -2.923
169 HB3 PRO 22 HB3 PRO 22 9.228 -5.025 -2.915
170 HG2 PRO 22 HG2 PRO 22 7.430 -2.651 -3.025
171 HG3 PRO 22 HG3 PRO 22 7.274 -4.221 -3.828
172 HD2 PRO 22 HD2 PRO 22 5.839 -3.547 -1.637
173 HD3 PRO 22 HD3 PRO 22 6.339 -5.216 -1.979
174 H LYS 23 H LYS 23 11.374 -3.561 -0.312
175 HA LYS 23 HA LYS 23 10.704 -0.986 0.843
176 HB2 LYS 23 HB2 LYS 23 13.117 -2.762 1.032
177 HB3 LYS 23 HB3 LYS 23 13.196 -1.078 1.541
178 HG2 LYS 23 HG2 LYS 23 12.769 -2.496 3.447
179 HG3 LYS 23 HG3 LYS 23 11.363 -1.485 3.129
180 HD2 LYS 23 HD2 LYS 23 10.334 -3.409 1.924
181 HD3 LYS 23 HD3 LYS 23 11.701 -4.400 2.430
182 HE2 LYS 23 HE2 LYS 23 9.901 -2.934 4.348
183 HE3 LYS 23 HE3 LYS 23 9.641 -4.605 3.851
184 HZ1 LYS 23 HZ1 LYS 23 10.848 -4.412 5.931
185 HZ2 LYS 23 HZ2 LYS 23 12.061 -3.628 5.187
186 HZ3 LYS 23 HZ3 LYS 23 11.738 -5.172 4.802
187 HA PRO 24 HA PRO 24 11.752 0.531 1.565
188 HB2 PRO 24 HB2 PRO 24 12.026 3.168 1.463
189 HB3 PRO 24 HB3 PRO 24 13.438 2.108 1.404
190 HG2 PRO 24 HG2 PRO 24 12.083 3.590 -0.805
191 HG3 PRO 24 HG3 PRO 24 13.811 3.293 -0.551
192 HD2 PRO 24 HD2 PRO 24 12.103 1.831 -2.234
193 HD3 PRO 24 HD3 PRO 24 13.722 1.342 -1.702
194 H PHE 25 H PHE 25 9.640 0.142 1.835
195 HA PHE 25 HA PHE 25 7.812 2.340 1.467
196 HB2 PHE 25 HB2 PHE 25 7.416 -0.321 0.103
197 HB3 PHE 25 HB3 PHE 25 6.046 0.679 0.561
198 HD1 PHE 25 HD1 PHE 25 5.791 2.925 -0.431
199 HD2 PHE 25 HD2 PHE 25 8.696 0.165 -1.846
200 HE1 PHE 25 HE1 PHE 25 5.971 4.209 -2.513
201 HE2 PHE 25 HE2 PHE 25 8.895 1.444 -3.940
202 HZ PHE 25 HZ PHE 25 7.532 3.470 -4.276
203 H ALA 26 H ALA 26 5.863 2.033 2.736
204 HA ALA 26 HA ALA 26 6.243 0.047 4.885
205 HB1 ALA 26 HB1 ALA 26 5.038 2.805 5.084
206 HB2 ALA 26 HB2 ALA 26 6.633 2.329 5.666
207 HB3 ALA 26 HB3 ALA 26 5.184 1.646 6.403
208 H ALA 27 H ALA 27 4.417 -0.983 5.693
209 HA ALA 27 HA ALA 27 2.281 -1.355 3.826
210 HB1 ALA 27 HB1 ALA 27 1.398 -2.936 5.486
211 HB2 ALA 27 HB2 ALA 27 2.620 -2.396 6.638
212 HB3 ALA 27 HB3 ALA 27 3.107 -3.216 5.156
213 H PHE 28 H PHE 28 1.248 0.590 3.620
214 HA PHE 28 HA PHE 28 0.217 1.982 5.939
215 HB2 PHE 28 HB2 PHE 28 1.147 3.141 3.903
216 HB3 PHE 28 HB3 PHE 28 -0.235 2.566 2.994
217 HD1 PHE 28 HD1 PHE 28 1.083 5.200 4.920
218 HD2 PHE 28 HD2 PHE 28 -2.570 3.267 3.918
219 HE1 PHE 28 HE1 PHE 28 -0.159 7.210 5.584
220 HE2 PHE 28 HE2 PHE 28 -3.822 5.278 4.575
221 HZ PHE 28 HZ PHE 28 -2.615 7.253 5.409
222 H GLY 29 H GLY 29 -1.220 0.464 6.815
223 HA2 GLY 29 HA2 GLY 29 -3.283 -0.445 7.185
224 HA3 GLY 29 HA3 GLY 29 -3.885 0.858 6.176
225 H THR 30 H THR 30 -5.079 0.197 4.569
226 HA THR 30 HA THR 30 -4.346 -2.205 3.075
227 HB THR 30 HB THR 30 -6.845 -2.772 3.027
228 HG1 THR 30 HG1 THR 30 -7.146 -0.655 4.371
229 HG21 THR 30 HG21 THR 30 -6.646 -4.118 5.070
230 HG22 THR 30 HG22 THR 30 -5.239 -3.162 5.549
231 HG23 THR 30 HG23 THR 30 -5.174 -4.166 4.099
232 H CYS 31 H CYS 31 -4.696 -2.091 1.020
233 HA CYS 31 HA CYS 31 -5.917 0.282 -0.154
234 HB2 CYS 31 HB2 CYS 31 -4.014 -1.805 -1.086
235 HB3 CYS 31 HB3 CYS 31 -5.078 -1.099 -2.293
236 H SER 32 H SER 32 -6.699 -0.991 -2.572
237 HA SER 32 HA SER 32 -9.235 -1.258 -2.596
238 HB2 SER 32 HB2 SER 32 -7.631 -3.512 -3.752
239 HB3 SER 32 HB3 SER 32 -9.125 -2.823 -4.378
240 HG SER 32 HG SER 32 -7.310 -2.038 -5.522
241 H TRP 33 H TRP 33 -10.556 -1.880 -1.084
242 HA TRP 33 HA TRP 33 -11.755 -3.105 0.360
243 HB2 TRP 33 HB2 TRP 33 -10.632 -5.503 -1.098
244 HB3 TRP 33 HB3 TRP 33 -12.138 -5.419 -0.179
245 HD1 TRP 33 HD1 TRP 33 -11.058 -5.380 -3.630
246 HE1 TRP 33 HE1 TRP 33 -12.788 -4.225 -5.163
247 HE3 TRP 33 HE3 TRP 33 -13.820 -2.967 -0.076
248 HZ2 TRP 33 HZ2 TRP 33 -15.005 -2.494 -4.885
249 HZ3 TRP 33 HZ3 TRP 33 -15.698 -1.557 -0.785
250 HH2 TRP 33 HH2 TRP 33 -16.278 -1.334 -3.150
251 H ARG 34 H ARG 34 -10.263 -6.013 0.803
252 HA ARG 34 HA ARG 34 -8.226 -4.915 2.619
253 HB2 ARG 34 HB2 ARG 34 -8.717 -6.673 4.266
254 HB3 ARG 34 HB3 ARG 34 -10.090 -5.606 4.020
255 HG2 ARG 34 HG2 ARG 34 -11.178 -7.272 2.646
256 HG3 ARG 34 HG3 ARG 34 -9.778 -8.333 2.785
257 HD2 ARG 34 HD2 ARG 34 -11.575 -8.990 4.318
258 HD3 ARG 34 HD3 ARG 34 -10.120 -8.507 5.185
259 HE ARG 34 HE ARG 34 -11.759 -6.262 4.958
260 HH11 ARG 34 HH11 ARG 34 -11.821 -9.398 6.515
261 HH12 ARG 34 HH12 ARG 34 -12.794 -8.858 7.846
262 HH21 ARG 34 HH21 ARG 34 -13.038 -5.555 6.714
263 HH22 ARG 34 HH22 ARG 34 -13.490 -6.679 7.955
264 H GLN 35 H GLN 35 -8.129 -5.926 -0.075
265 HA GLN 35 HA GLN 35 -6.876 -8.559 0.185
266 HB2 GLN 35 HB2 GLN 35 -7.718 -7.012 -2.270
267 HB3 GLN 35 HB3 GLN 35 -7.121 -8.667 -2.247
268 HG2 GLN 35 HG2 GLN 35 -9.562 -7.818 -0.740
269 HG3 GLN 35 HG3 GLN 35 -9.616 -8.351 -2.414
270 HE21 GLN 35 HE21 GLN 35 -9.033 -9.291 0.875
271 HE22 GLN 35 HE22 GLN 35 -9.094 -10.997 0.615
272 H LYS 36 H LYS 36 -6.268 -5.275 -0.897
273 HA LYS 36 HA LYS 36 -3.492 -6.034 -1.489
274 HB2 LYS 36 HB2 LYS 36 -4.704 -3.424 -2.330
275 HB3 LYS 36 HB3 LYS 36 -3.376 -4.306 -3.055
276 HG2 LYS 36 HG2 LYS 36 -4.988 -6.007 -3.833
277 HG3 LYS 36 HG3 LYS 36 -6.304 -5.008 -3.203
278 HD2 LYS 36 HD2 LYS 36 -6.268 -4.291 -5.369
279 HD3 LYS 36 HD3 LYS 36 -5.120 -3.157 -4.663
280 HE2 LYS 36 HE2 LYS 36 -4.077 -3.908 -6.616
281 HE3 LYS 36 HE3 LYS 36 -3.318 -4.836 -5.325
282 HZ1 LYS 36 HZ1 LYS 36 -4.756 -6.667 -5.880
283 HZ2 LYS 36 HZ2 LYS 36 -3.917 -6.219 -7.196
284 HZ3 LYS 36 HZ3 LYS 36 -5.484 -5.809 -7.056
285 H THR 37 H THR 37 -1.818 -4.885 -0.558
286 HA THR 37 HA THR 37 -2.557 -3.211 1.740
287 HB THR 37 HB THR 37 0.148 -4.415 1.092
288 HG1 THR 37 HG1 THR 37 -0.775 -6.226 1.678
289 HG21 THR 37 HG21 THR 37 0.230 -2.515 2.635
290 HG22 THR 37 HG22 THR 37 0.608 -4.022 3.473
291 HG23 THR 37 HG23 THR 37 -0.984 -3.285 3.657
292 H CYS 38 H CYS 38 -1.687 -1.090 1.953
293 HA CYS 38 HA CYS 38 -0.935 0.112 -0.574
294 HB2 CYS 38 HB2 CYS 38 -1.279 1.359 2.147
295 HB3 CYS 38 HB3 CYS 38 -1.178 2.216 0.616
296 H CYS 39 H CYS 39 1.085 0.572 -1.165
297 HA CYS 39 HA CYS 39 3.181 0.424 0.895
298 HB2 CYS 39 HB2 CYS 39 3.421 -0.028 -2.088
299 HB3 CYS 39 HB3 CYS 39 4.714 -0.208 -0.904
300 H VAL 40 H VAL 40 3.674 2.401 1.532
301 HA VAL 40 HA VAL 40 4.386 4.381 -0.504
302 HB VAL 40 HB VAL 40 3.388 6.179 0.987
303 HG11 VAL 40 HG11 VAL 40 2.387 5.425 -1.154
304 HG12 VAL 40 HG12 VAL 40 1.196 6.001 0.016
305 HG13 VAL 40 HG13 VAL 40 1.409 4.268 -0.244
306 HG21 VAL 40 HG21 VAL 40 1.569 5.531 2.452
307 HG22 VAL 40 HG22 VAL 40 3.079 4.782 2.972
308 HG23 VAL 40 HG23 VAL 40 1.878 3.831 2.097
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 -13.874 4.120 -7.323
2 H2 LEU 1 H2 LEU 1 -12.735 5.138 -7.868
3 H3 LEU 1 H3 LEU 1 -13.246 5.244 -6.330
4 HA LEU 1 HA LEU 1 -11.776 3.004 -7.495
5 HB2 LEU 1 HB2 LEU 1 -10.960 5.127 -5.505
6 HB3 LEU 1 HB3 LEU 1 -10.036 3.670 -5.797
7 HG LEU 1 HG LEU 1 -10.034 4.504 -8.281
8 HD11 LEU 1 HD11 LEU 1 -10.478 7.083 -6.788
9 HD12 LEU 1 HD12 LEU 1 -11.577 6.359 -7.960
10 HD13 LEU 1 HD13 LEU 1 -9.993 6.934 -8.476
11 HD21 LEU 1 HD21 LEU 1 -8.354 5.749 -6.114
12 HD22 LEU 1 HD22 LEU 1 -7.965 5.753 -7.833
13 HD23 LEU 1 HD23 LEU 1 -8.041 4.230 -6.951
14 HA PRO 2 HA PRO 2 -13.082 -0.037 -4.618
15 HB2 PRO 2 HB2 PRO 2 -10.354 0.340 -3.444
16 HB3 PRO 2 HB3 PRO 2 -11.240 -1.157 -3.741
17 HG2 PRO 2 HG2 PRO 2 -9.366 -0.300 -5.435
18 HG3 PRO 2 HG3 PRO 2 -10.843 -1.092 -6.022
19 HD2 PRO 2 HD2 PRO 2 -10.016 1.721 -6.241
20 HD3 PRO 2 HD3 PRO 2 -11.226 0.827 -7.178
21 H ARG 3 H ARG 3 -10.789 1.537 -2.418
22 HA ARG 3 HA ARG 3 -12.823 2.800 -0.865
23 HB2 ARG 3 HB2 ARG 3 -12.581 1.363 1.149
24 HB3 ARG 3 HB3 ARG 3 -13.336 0.551 -0.203
25 HG2 ARG 3 HG2 ARG 3 -11.398 -0.719 -0.656
26 HG3 ARG 3 HG3 ARG 3 -10.423 0.259 0.442
27 HD2 ARG 3 HD2 ARG 3 -12.800 -1.280 1.415
28 HD3 ARG 3 HD3 ARG 3 -11.220 -2.040 1.251
29 HE ARG 3 HE ARG 3 -10.788 0.267 2.696
30 HH11 ARG 3 HH11 ARG 3 -12.762 -2.609 3.083
31 HH12 ARG 3 HH12 ARG 3 -12.607 -2.630 4.808
32 HH21 ARG 3 HH21 ARG 3 -10.579 0.223 4.958
33 HH22 ARG 3 HH22 ARG 3 -11.366 -1.021 5.876
34 H ASP 4 H ASP 4 -9.542 1.429 -0.758
35 HA ASP 4 HA ASP 4 -8.712 3.819 0.751
36 HB2 ASP 4 HB2 ASP 4 -7.884 0.948 1.046
37 HB3 ASP 4 HB3 ASP 4 -6.802 2.237 1.554
38 H THR 5 H THR 5 -8.493 2.323 -2.172
39 HA THR 5 HA THR 5 -5.854 2.477 -2.970
40 HB THR 5 HB THR 5 -8.102 3.343 -4.761
41 HG1 THR 5 HG1 THR 5 -7.675 0.636 -4.643
42 HG21 THR 5 HG21 THR 5 -5.687 1.582 -5.205
43 HG22 THR 5 HG22 THR 5 -5.804 3.283 -5.655
44 HG23 THR 5 HG23 THR 5 -6.846 2.091 -6.432
45 H SER 6 H SER 6 -8.349 5.003 -3.332
46 HA SER 6 HA SER 6 -6.602 6.941 -4.397
47 HB2 SER 6 HB2 SER 6 -8.510 8.525 -3.689
48 HB3 SER 6 HB3 SER 6 -8.893 7.253 -4.848
49 HG SER 6 HG SER 6 -10.043 7.704 -2.529
50 H ARG 7 H ARG 7 -7.387 5.998 -1.167
51 HA ARG 7 HA ARG 7 -6.337 8.216 0.236
52 HB2 ARG 7 HB2 ARG 7 -7.776 6.494 1.255
53 HB3 ARG 7 HB3 ARG 7 -6.514 5.300 1.020
54 HG2 ARG 7 HG2 ARG 7 -5.074 6.539 2.569
55 HG3 ARG 7 HG3 ARG 7 -6.385 7.695 2.837
56 HD2 ARG 7 HD2 ARG 7 -7.821 5.776 3.539
57 HD3 ARG 7 HD3 ARG 7 -6.399 4.744 3.446
58 HE ARG 7 HE ARG 7 -5.772 6.879 5.118
59 HH11 ARG 7 HH11 ARG 7 -7.912 4.112 5.020
60 HH12 ARG 7 HH12 ARG 7 -8.057 4.000 6.747
61 HH21 ARG 7 HH21 ARG 7 -5.954 6.730 7.404
62 HH22 ARG 7 HH22 ARG 7 -6.933 5.482 8.102
63 H CYS 8 H CYS 8 -4.967 5.228 -1.001
64 HA CYS 8 HA CYS 8 -2.386 5.532 0.123
65 HB2 CYS 8 HB2 CYS 8 -3.274 3.375 -0.609
66 HB3 CYS 8 HB3 CYS 8 -3.317 3.943 -2.275
67 H VAL 9 H VAL 9 -3.769 6.316 -3.042
68 HA VAL 9 HA VAL 9 -1.301 7.358 -4.075
69 HB VAL 9 HB VAL 9 -4.075 7.939 -5.110
70 HG11 VAL 9 HG11 VAL 9 -2.329 9.304 -6.097
71 HG12 VAL 9 HG12 VAL 9 -2.949 8.149 -7.277
72 HG13 VAL 9 HG13 VAL 9 -1.400 7.858 -6.489
73 HG21 VAL 9 HG21 VAL 9 -3.863 5.546 -4.840
74 HG22 VAL 9 HG22 VAL 9 -2.327 5.564 -5.709
75 HG23 VAL 9 HG23 VAL 9 -3.822 5.971 -6.552
76 H GLY 10 H GLY 10 -3.918 8.543 -2.183
77 HA2 GLY 10 HA2 GLY 10 -3.619 11.305 -2.411
78 HA3 GLY 10 HA3 GLY 10 -4.081 10.468 -0.933
79 H TYR 11 H TYR 11 -1.733 8.932 -0.644
80 HA TYR 11 HA TYR 11 0.242 10.908 0.125
81 HB2 TYR 11 HB2 TYR 11 0.155 7.893 0.387
82 HB3 TYR 11 HB3 TYR 11 1.513 8.874 0.926
83 HD1 TYR 11 HD1 TYR 11 1.491 9.917 3.015
84 HD2 TYR 11 HD2 TYR 11 -2.118 8.296 1.459
85 HE1 TYR 11 HE1 TYR 11 0.403 10.272 5.188
86 HE2 TYR 11 HE2 TYR 11 -3.220 8.643 3.627
87 HH TYR 11 HH TYR 11 -2.695 8.953 5.933
88 H HIS 12 H HIS 12 1.838 8.133 -0.823
89 HA HIS 12 HA HIS 12 2.081 8.684 -3.645
90 HB2 HIS 12 HB2 HIS 12 4.579 8.931 -1.947
91 HB3 HIS 12 HB3 HIS 12 4.456 9.147 -3.682
92 HD1 HIS 12 HD1 HIS 12 3.479 11.433 -4.516
93 HD2 HIS 12 HD2 HIS 12 3.980 11.135 -0.400
94 HE1 HIS 12 HE1 HIS 12 3.327 13.788 -3.645
95 HE2 HIS 12 HE2 HIS 12 3.812 13.601 -1.177
96 H GLY 13 H GLY 13 1.774 6.552 -4.227
97 HA2 GLY 13 HA2 GLY 13 3.808 4.680 -3.962
98 HA3 GLY 13 HA3 GLY 13 2.707 4.390 -2.625
99 H TYR 14 H TYR 14 1.858 2.460 -3.232
100 HA TYR 14 HA TYR 14 -0.021 2.407 -5.383
101 HB2 TYR 14 HB2 TYR 14 1.068 0.658 -6.733
102 HB3 TYR 14 HB3 TYR 14 1.980 2.159 -6.739
103 HD1 TYR 14 HD1 TYR 14 2.022 -1.365 -5.957
104 HD2 TYR 14 HD2 TYR 14 4.077 2.313 -5.360
105 HE1 TYR 14 HE1 TYR 14 4.031 -2.604 -5.283
106 HE2 TYR 14 HE2 TYR 14 6.091 1.081 -4.678
107 HH TYR 14 HH TYR 14 6.419 -2.297 -5.126
108 H CYS 15 H CYS 15 -0.646 -0.021 -5.803
109 HA CYS 15 HA CYS 15 -1.215 -1.104 -3.129
110 HB2 CYS 15 HB2 CYS 15 -2.751 -1.400 -5.719
111 HB3 CYS 15 HB3 CYS 15 -3.250 -2.022 -4.149
112 H ILE 16 H ILE 16 -0.669 -3.184 -2.622
113 HA ILE 16 HA ILE 16 0.046 -4.970 -4.851
114 HB ILE 16 HB ILE 16 1.902 -5.872 -3.734
115 HG12 ILE 16 HG12 ILE 16 1.145 -4.255 -1.302
116 HG13 ILE 16 HG13 ILE 16 0.899 -5.985 -1.484
117 HG21 ILE 16 HG21 ILE 16 2.407 -3.752 -4.771
118 HG22 ILE 16 HG22 ILE 16 3.381 -3.963 -3.317
119 HG23 ILE 16 HG23 ILE 16 1.975 -2.899 -3.290
120 HD11 ILE 16 HD11 ILE 16 2.843 -5.563 -0.127
121 HD12 ILE 16 HD12 ILE 16 3.544 -4.557 -1.394
122 HD13 ILE 16 HD13 ILE 16 3.333 -6.286 -1.659
123 H ARG 17 H ARG 17 -0.468 -7.146 -4.566
124 HA ARG 17 HA ARG 17 -2.243 -7.791 -2.358
125 HB2 ARG 17 HB2 ARG 17 -1.986 -10.140 -3.681
126 HB3 ARG 17 HB3 ARG 17 -3.170 -8.914 -4.092
127 HG2 ARG 17 HG2 ARG 17 -2.081 -9.767 -6.083
128 HG3 ARG 17 HG3 ARG 17 -1.697 -8.066 -5.849
129 HD2 ARG 17 HD2 ARG 17 0.233 -9.899 -4.630
130 HD3 ARG 17 HD3 ARG 17 0.113 -10.048 -6.382
131 HE ARG 17 HE ARG 17 0.358 -7.412 -6.133
132 HH11 ARG 17 HH11 ARG 17 2.121 -9.958 -4.505
133 HH12 ARG 17 HH12 ARG 17 3.594 -9.047 -4.418
134 HH21 ARG 17 HH21 ARG 17 2.288 -6.217 -6.030
135 HH22 ARG 17 HH22 ARG 17 3.687 -6.915 -5.279
136 H SER 18 H SER 18 -0.749 -7.636 -0.677
137 HA SER 18 HA SER 18 0.445 -9.964 0.224
138 HB2 SER 18 HB2 SER 18 2.111 -9.561 -1.595
139 HB3 SER 18 HB3 SER 18 2.482 -7.996 -0.876
140 HG SER 18 HG SER 18 3.078 -10.578 0.048
141 H LYS 19 H LYS 19 1.276 -9.649 2.373
142 HA LYS 19 HA LYS 19 0.711 -6.999 3.469
143 HB2 LYS 19 HB2 LYS 19 1.403 -9.561 4.916
144 HB3 LYS 19 HB3 LYS 19 0.839 -8.070 5.656
145 HG2 LYS 19 HG2 LYS 19 -0.715 -9.859 3.806
146 HG3 LYS 19 HG3 LYS 19 -0.953 -9.671 5.538
147 HD2 LYS 19 HD2 LYS 19 -1.343 -7.533 3.446
148 HD3 LYS 19 HD3 LYS 19 -2.624 -8.423 4.265
149 HE2 LYS 19 HE2 LYS 19 -2.000 -7.452 6.385
150 HE3 LYS 19 HE3 LYS 19 -0.608 -6.659 5.651
151 HZ1 LYS 19 HZ1 LYS 19 -3.428 -6.085 5.082
152 HZ2 LYS 19 HZ2 LYS 19 -2.181 -5.418 4.282
153 HZ3 LYS 19 HZ3 LYS 19 -2.382 -5.114 5.868
154 H VAL 20 H VAL 20 3.173 -8.129 1.916
155 HA VAL 20 HA VAL 20 5.188 -6.999 3.743
156 HB VAL 20 HB VAL 20 5.648 -9.161 1.681
157 HG11 VAL 20 HG11 VAL 20 7.885 -9.316 2.659
158 HG12 VAL 20 HG12 VAL 20 7.508 -7.966 3.731
159 HG13 VAL 20 HG13 VAL 20 7.580 -7.712 1.989
160 HG21 VAL 20 HG21 VAL 20 5.569 -9.354 4.690
161 HG22 VAL 20 HG22 VAL 20 6.033 -10.650 3.588
162 HG23 VAL 20 HG23 VAL 20 4.384 -10.027 3.569
163 H CYS 21 H CYS 21 5.412 -4.976 2.975
164 HA CYS 21 HA CYS 21 5.425 -4.434 0.145
165 HB2 CYS 21 HB2 CYS 21 5.788 -2.700 2.587
166 HB3 CYS 21 HB3 CYS 21 5.939 -2.076 0.947
167 HA PRO 22 HA PRO 22 9.837 -4.700 -0.363
168 HB2 PRO 22 HB2 PRO 22 10.021 -3.337 -2.696
169 HB3 PRO 22 HB3 PRO 22 9.452 -5.008 -2.602
170 HG2 PRO 22 HG2 PRO 22 7.905 -2.488 -2.922
171 HG3 PRO 22 HG3 PRO 22 7.606 -4.091 -3.607
172 HD2 PRO 22 HD2 PRO 22 6.269 -3.045 -1.440
173 HD3 PRO 22 HD3 PRO 22 6.423 -4.776 -1.787
174 H LYS 23 H LYS 23 11.672 -3.304 -0.269
175 HA LYS 23 HA LYS 23 10.942 -0.734 0.893
176 HB2 LYS 23 HB2 LYS 23 13.410 -2.433 1.101
177 HB3 LYS 23 HB3 LYS 23 13.430 -0.739 1.581
178 HG2 LYS 23 HG2 LYS 23 13.070 -2.083 3.526
179 HG3 LYS 23 HG3 LYS 23 11.580 -1.215 3.161
180 HD2 LYS 23 HD2 LYS 23 10.734 -3.269 2.035
181 HD3 LYS 23 HD3 LYS 23 12.183 -4.113 2.582
182 HE2 LYS 23 HE2 LYS 23 10.126 -2.804 4.358
183 HE3 LYS 23 HE3 LYS 23 10.273 -4.534 4.057
184 HZ1 LYS 23 HZ1 LYS 23 11.323 -3.933 6.106
185 HZ2 LYS 23 HZ2 LYS 23 12.286 -2.850 5.368
186 HZ3 LYS 23 HZ3 LYS 23 12.460 -4.435 5.054
187 HA PRO 24 HA PRO 24 11.816 0.841 1.533
188 HB2 PRO 24 HB2 PRO 24 12.013 3.481 1.345
189 HB3 PRO 24 HB3 PRO 24 13.456 2.462 1.393
190 HG2 PRO 24 HG2 PRO 24 12.190 3.851 -0.918
191 HG3 PRO 24 HG3 PRO 24 13.904 3.555 -0.585
192 HD2 PRO 24 HD2 PRO 24 12.225 2.039 -2.276
193 HD3 PRO 24 HD3 PRO 24 13.852 1.604 -1.728
194 H PHE 25 H PHE 25 9.701 0.408 1.755
195 HA PHE 25 HA PHE 25 7.825 2.533 1.205
196 HB2 PHE 25 HB2 PHE 25 7.576 -0.199 -0.032
197 HB3 PHE 25 HB3 PHE 25 6.139 0.706 0.406
198 HD1 PHE 25 HD1 PHE 25 8.898 0.429 -1.957
199 HD2 PHE 25 HD2 PHE 25 5.598 2.795 -0.704
200 HE1 PHE 25 HE1 PHE 25 8.976 1.663 -4.086
201 HE2 PHE 25 HE2 PHE 25 5.658 4.037 -2.819
202 HZ PHE 25 HZ PHE 25 7.357 3.470 -4.522
203 H ALA 26 H ALA 26 5.856 2.254 2.436
204 HA ALA 26 HA ALA 26 6.250 0.464 4.742
205 HB1 ALA 26 HB1 ALA 26 4.774 3.098 4.663
206 HB2 ALA 26 HB2 ALA 26 6.395 2.852 5.313
207 HB3 ALA 26 HB3 ALA 26 5.012 2.078 6.082
208 H ALA 27 H ALA 27 4.614 -0.850 5.366
209 HA ALA 27 HA ALA 27 2.491 -1.371 3.533
210 HB1 ALA 27 HB1 ALA 27 1.801 -3.083 5.136
211 HB2 ALA 27 HB2 ALA 27 2.936 -2.439 6.323
212 HB3 ALA 27 HB3 ALA 27 3.536 -3.163 4.829
213 H PHE 28 H PHE 28 1.260 0.441 3.386
214 HA PHE 28 HA PHE 28 0.204 1.751 5.739
215 HB2 PHE 28 HB2 PHE 28 0.959 3.008 3.752
216 HB3 PHE 28 HB3 PHE 28 -0.277 2.228 2.782
217 HD1 PHE 28 HD1 PHE 28 0.538 4.988 4.865
218 HD2 PHE 28 HD2 PHE 28 -2.721 2.673 3.409
219 HE1 PHE 28 HE1 PHE 28 -0.999 6.825 5.391
220 HE2 PHE 28 HE2 PHE 28 -4.264 4.511 3.933
221 HZ PHE 28 HZ PHE 28 -3.407 6.590 4.919
222 H GLY 29 H GLY 29 -1.052 0.086 6.641
223 HA2 GLY 29 HA2 GLY 29 -2.964 -1.094 7.043
224 HA3 GLY 29 HA3 GLY 29 -3.739 0.301 6.313
225 H THR 30 H THR 30 -4.691 0.114 4.402
226 HA THR 30 HA THR 30 -4.361 -2.363 2.882
227 HB THR 30 HB THR 30 -6.883 -2.426 2.642
228 HG1 THR 30 HG1 THR 30 -7.809 -0.724 3.533
229 HG21 THR 30 HG21 THR 30 -5.654 -2.936 5.351
230 HG22 THR 30 HG22 THR 30 -5.638 -4.038 3.973
231 HG23 THR 30 HG23 THR 30 -7.165 -3.642 4.768
232 H CYS 31 H CYS 31 -5.141 -2.267 0.787
233 HA CYS 31 HA CYS 31 -5.518 0.417 -0.356
234 HB2 CYS 31 HB2 CYS 31 -3.652 -1.620 -1.032
235 HB3 CYS 31 HB3 CYS 31 -4.808 -1.492 -2.349
236 H SER 32 H SER 32 -6.385 -0.568 -2.889
237 HA SER 32 HA SER 32 -8.991 -0.858 -2.946
238 HB2 SER 32 HB2 SER 32 -7.296 -2.858 -4.407
239 HB3 SER 32 HB3 SER 32 -8.785 -2.095 -4.951
240 HG SER 32 HG SER 32 -6.634 -1.267 -5.754
241 H TRP 33 H TRP 33 -10.212 -1.797 -1.453
242 HA TRP 33 HA TRP 33 -11.204 -3.295 -0.101
243 HB2 TRP 33 HB2 TRP 33 -10.181 -5.337 -2.075
244 HB3 TRP 33 HB3 TRP 33 -11.564 -5.505 -0.992
245 HD1 TRP 33 HD1 TRP 33 -11.009 -4.926 -4.465
246 HE1 TRP 33 HE1 TRP 33 -12.900 -3.563 -5.567
247 HE3 TRP 33 HE3 TRP 33 -13.212 -3.034 -0.254
248 HZ2 TRP 33 HZ2 TRP 33 -15.026 -1.892 -4.749
249 HZ3 TRP 33 HZ3 TRP 33 -15.149 -1.543 -0.503
250 HH2 TRP 33 HH2 TRP 33 -16.037 -0.991 -2.714
251 H ARG 34 H ARG 34 -10.852 -5.359 1.250
252 HA ARG 34 HA ARG 34 -8.373 -4.957 2.652
253 HB2 ARG 34 HB2 ARG 34 -9.233 -6.565 4.262
254 HB3 ARG 34 HB3 ARG 34 -10.470 -5.385 3.859
255 HG2 ARG 34 HG2 ARG 34 -11.529 -7.001 2.361
256 HG3 ARG 34 HG3 ARG 34 -10.287 -8.187 2.766
257 HD2 ARG 34 HD2 ARG 34 -12.237 -6.933 4.696
258 HD3 ARG 34 HD3 ARG 34 -12.338 -8.566 4.041
259 HE ARG 34 HE ARG 34 -9.876 -8.463 5.214
260 HH11 ARG 34 HH11 ARG 34 -13.143 -7.846 6.305
261 HH12 ARG 34 HH12 ARG 34 -12.824 -8.322 7.941
262 HH21 ARG 34 HH21 ARG 34 -9.449 -9.089 7.364
263 HH22 ARG 34 HH22 ARG 34 -10.714 -9.016 8.549
264 H GLN 35 H GLN 35 -8.281 -6.045 -0.065
265 HA GLN 35 HA GLN 35 -7.200 -8.742 0.353
266 HB2 GLN 35 HB2 GLN 35 -7.810 -7.356 -2.258
267 HB3 GLN 35 HB3 GLN 35 -7.514 -9.071 -1.999
268 HG2 GLN 35 HG2 GLN 35 -9.841 -7.615 -0.793
269 HG3 GLN 35 HG3 GLN 35 -9.902 -8.390 -2.368
270 HE21 GLN 35 HE21 GLN 35 -9.625 -8.883 1.051
271 HE22 GLN 35 HE22 GLN 35 -9.999 -10.565 1.047
272 H LYS 36 H LYS 36 -6.475 -5.498 -0.652
273 HA LYS 36 HA LYS 36 -3.713 -6.293 -1.293
274 HB2 LYS 36 HB2 LYS 36 -4.959 -3.735 -2.254
275 HB3 LYS 36 HB3 LYS 36 -3.597 -4.604 -2.911
276 HG2 LYS 36 HG2 LYS 36 -6.319 -5.821 -2.967
277 HG3 LYS 36 HG3 LYS 36 -5.844 -4.621 -4.170
278 HD2 LYS 36 HD2 LYS 36 -4.165 -7.035 -3.572
279 HD3 LYS 36 HD3 LYS 36 -5.470 -7.069 -4.761
280 HE2 LYS 36 HE2 LYS 36 -3.382 -4.934 -4.862
281 HE3 LYS 36 HE3 LYS 36 -3.058 -6.524 -5.530
282 HZ1 LYS 36 HZ1 LYS 36 -3.940 -4.976 -7.162
283 HZ2 LYS 36 HZ2 LYS 36 -5.313 -4.823 -6.309
284 HZ3 LYS 36 HZ3 LYS 36 -4.928 -6.254 -6.973
285 H THR 37 H THR 37 -2.056 -5.133 -0.388
286 HA THR 37 HA THR 37 -2.770 -3.274 1.771
287 HB THR 37 HB THR 37 -0.119 -4.625 1.176
288 HG1 THR 37 HG1 THR 37 -1.093 -6.280 2.040
289 HG21 THR 37 HG21 THR 37 0.114 -2.527 2.448
290 HG22 THR 37 HG22 THR 37 0.525 -3.936 3.427
291 HG23 THR 37 HG23 THR 37 -1.032 -3.134 3.643
292 H CYS 38 H CYS 38 -1.850 -1.197 1.832
293 HA CYS 38 HA CYS 38 -0.988 -0.156 -0.735
294 HB2 CYS 38 HB2 CYS 38 -2.557 1.236 0.363
295 HB3 CYS 38 HB3 CYS 38 -1.705 1.118 1.900
296 H CYS 39 H CYS 39 1.021 0.615 -1.187
297 HA CYS 39 HA CYS 39 3.031 0.389 0.954
298 HB2 CYS 39 HB2 CYS 39 3.388 -0.157 -2.000
299 HB3 CYS 39 HB3 CYS 39 4.680 -0.184 -0.798
300 H VAL 40 H VAL 40 3.487 2.365 1.587
301 HA VAL 40 HA VAL 40 4.231 4.335 -0.452
302 HB VAL 40 HB VAL 40 3.256 6.128 1.097
303 HG11 VAL 40 HG11 VAL 40 2.300 5.500 -1.083
304 HG12 VAL 40 HG12 VAL 40 1.062 5.971 0.084
305 HG13 VAL 40 HG13 VAL 40 1.327 4.264 -0.279
306 HG21 VAL 40 HG21 VAL 40 1.412 5.479 2.509
307 HG22 VAL 40 HG22 VAL 40 2.873 4.631 3.021
308 HG23 VAL 40 HG23 VAL 40 1.645 3.785 2.075
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 -14.102 3.273 -7.738
2 H2 LEU 1 H2 LEU 1 -12.970 4.336 -8.211
3 H3 LEU 1 H3 LEU 1 -13.554 4.395 -6.695
4 HA LEU 1 HA LEU 1 -12.056 2.145 -7.792
5 HB2 LEU 1 HB2 LEU 1 -11.167 4.398 -5.991
6 HB3 LEU 1 HB3 LEU 1 -10.247 2.928 -6.239
7 HG LEU 1 HG LEU 1 -10.944 4.935 -8.384
8 HD11 LEU 1 HD11 LEU 1 -9.324 5.819 -6.803
9 HD12 LEU 1 HD12 LEU 1 -8.556 5.462 -8.350
10 HD13 LEU 1 HD13 LEU 1 -8.335 4.369 -6.985
11 HD21 LEU 1 HD21 LEU 1 -10.771 2.697 -9.296
12 HD22 LEU 1 HD22 LEU 1 -9.234 2.452 -8.466
13 HD23 LEU 1 HD23 LEU 1 -9.358 3.647 -9.757
14 HA PRO 2 HA PRO 2 -13.202 -0.790 -4.737
15 HB2 PRO 2 HB2 PRO 2 -10.525 -0.080 -3.604
16 HB3 PRO 2 HB3 PRO 2 -11.272 -1.666 -3.773
17 HG2 PRO 2 HG2 PRO 2 -9.473 -0.650 -5.543
18 HG3 PRO 2 HG3 PRO 2 -10.727 -1.822 -5.993
19 HD2 PRO 2 HD2 PRO 2 -10.465 0.927 -6.825
20 HD3 PRO 2 HD3 PRO 2 -11.697 -0.253 -7.312
21 H ARG 3 H ARG 3 -11.058 1.100 -2.664
22 HA ARG 3 HA ARG 3 -13.161 2.476 -1.338
23 HB2 ARG 3 HB2 ARG 3 -12.951 1.323 0.854
24 HB3 ARG 3 HB3 ARG 3 -13.675 0.342 -0.399
25 HG2 ARG 3 HG2 ARG 3 -11.718 -0.973 -0.627
26 HG3 ARG 3 HG3 ARG 3 -10.786 0.132 0.386
27 HD2 ARG 3 HD2 ARG 3 -13.192 -1.390 1.360
28 HD3 ARG 3 HD3 ARG 3 -11.535 -1.971 1.527
29 HE ARG 3 HE ARG 3 -11.206 0.303 2.713
30 HH11 ARG 3 HH11 ARG 3 -14.140 -1.617 2.860
31 HH12 ARG 3 HH12 ARG 3 -14.533 -1.120 4.474
32 HH21 ARG 3 HH21 ARG 3 -11.739 0.967 4.823
33 HH22 ARG 3 HH22 ARG 3 -13.175 0.360 5.584
34 H ASP 4 H ASP 4 -9.871 1.192 -0.866
35 HA ASP 4 HA ASP 4 -9.181 3.714 0.469
36 HB2 ASP 4 HB2 ASP 4 -8.195 0.903 0.815
37 HB3 ASP 4 HB3 ASP 4 -7.198 2.262 1.304
38 H THR 5 H THR 5 -8.853 2.184 -2.434
39 HA THR 5 HA THR 5 -6.234 2.521 -3.235
40 HB THR 5 HB THR 5 -8.542 3.305 -4.996
41 HG1 THR 5 HG1 THR 5 -7.805 0.610 -4.835
42 HG21 THR 5 HG21 THR 5 -5.970 1.804 -5.513
43 HG22 THR 5 HG22 THR 5 -6.280 3.494 -5.920
44 HG23 THR 5 HG23 THR 5 -7.188 2.208 -6.722
45 H SER 6 H SER 6 -8.870 4.901 -3.491
46 HA SER 6 HA SER 6 -7.319 7.015 -4.483
47 HB2 SER 6 HB2 SER 6 -9.806 7.295 -2.782
48 HB3 SER 6 HB3 SER 6 -9.223 8.398 -4.028
49 HG SER 6 HG SER 6 -10.277 7.262 -5.428
50 H ARG 7 H ARG 7 -7.945 5.881 -1.252
51 HA ARG 7 HA ARG 7 -6.942 8.086 0.188
52 HB2 ARG 7 HB2 ARG 7 -8.270 6.401 1.285
53 HB3 ARG 7 HB3 ARG 7 -7.124 5.144 0.849
54 HG2 ARG 7 HG2 ARG 7 -5.452 6.193 2.313
55 HG3 ARG 7 HG3 ARG 7 -6.653 7.401 2.784
56 HD2 ARG 7 HD2 ARG 7 -8.102 5.625 3.632
57 HD3 ARG 7 HD3 ARG 7 -6.915 4.418 3.151
58 HE ARG 7 HE ARG 7 -5.921 6.427 4.968
59 HH11 ARG 7 HH11 ARG 7 -7.446 3.290 4.633
60 HH12 ARG 7 HH12 ARG 7 -6.972 2.758 6.221
61 HH21 ARG 7 HH21 ARG 7 -5.302 5.732 7.051
62 HH22 ARG 7 HH22 ARG 7 -5.749 4.146 7.598
63 H CYS 8 H CYS 8 -5.427 5.053 -0.870
64 HA CYS 8 HA CYS 8 -2.876 5.595 0.181
65 HB2 CYS 8 HB2 CYS 8 -3.518 3.352 -0.401
66 HB3 CYS 8 HB3 CYS 8 -3.750 3.806 -2.088
67 H VAL 9 H VAL 9 -4.271 6.220 -3.018
68 HA VAL 9 HA VAL 9 -1.765 7.227 -4.031
69 HB VAL 9 HB VAL 9 -3.386 6.094 -5.519
70 HG11 VAL 9 HG11 VAL 9 -5.461 6.791 -4.595
71 HG12 VAL 9 HG12 VAL 9 -5.396 7.293 -6.284
72 HG13 VAL 9 HG13 VAL 9 -5.135 8.476 -5.001
73 HG21 VAL 9 HG21 VAL 9 -3.307 7.691 -7.387
74 HG22 VAL 9 HG22 VAL 9 -1.776 7.596 -6.518
75 HG23 VAL 9 HG23 VAL 9 -2.855 8.965 -6.253
76 H GLY 10 H GLY 10 -4.224 8.480 -2.104
77 HA2 GLY 10 HA2 GLY 10 -3.889 11.248 -2.685
78 HA3 GLY 10 HA3 GLY 10 -4.449 10.574 -1.155
79 H TYR 11 H TYR 11 -2.002 8.858 -1.130
80 HA TYR 11 HA TYR 11 -0.100 10.815 -0.101
81 HB2 TYR 11 HB2 TYR 11 -0.194 7.790 0.082
82 HB3 TYR 11 HB3 TYR 11 1.080 8.783 0.780
83 HD1 TYR 11 HD1 TYR 11 -2.543 8.037 0.954
84 HD2 TYR 11 HD2 TYR 11 0.797 9.844 2.862
85 HE1 TYR 11 HE1 TYR 11 -3.870 8.312 3.001
86 HE2 TYR 11 HE2 TYR 11 -0.520 10.121 4.918
87 HH TYR 11 HH TYR 11 -2.846 10.261 5.612
88 H HIS 12 H HIS 12 1.633 8.144 -0.934
89 HA HIS 12 HA HIS 12 2.168 8.788 -3.693
90 HB2 HIS 12 HB2 HIS 12 4.325 9.302 -1.619
91 HB3 HIS 12 HB3 HIS 12 4.542 9.367 -3.358
92 HD1 HIS 12 HD1 HIS 12 3.829 11.520 -4.554
93 HD2 HIS 12 HD2 HIS 12 2.991 11.497 -0.485
94 HE1 HIS 12 HE1 HIS 12 3.221 13.889 -3.978
95 HE2 HIS 12 HE2 HIS 12 2.478 13.785 -1.573
96 H GLY 13 H GLY 13 2.124 6.683 -4.351
97 HA2 GLY 13 HA2 GLY 13 4.228 4.950 -4.010
98 HA3 GLY 13 HA3 GLY 13 3.119 4.559 -2.705
99 H TYR 14 H TYR 14 2.178 2.692 -3.264
100 HA TYR 14 HA TYR 14 0.430 2.629 -5.514
101 HB2 TYR 14 HB2 TYR 14 1.469 0.802 -6.755
102 HB3 TYR 14 HB3 TYR 14 2.500 2.218 -6.734
103 HD1 TYR 14 HD1 TYR 14 2.315 -1.284 -6.176
104 HD2 TYR 14 HD2 TYR 14 4.423 2.216 -4.984
105 HE1 TYR 14 HE1 TYR 14 4.182 -2.683 -5.410
106 HE2 TYR 14 HE2 TYR 14 6.296 0.827 -4.209
107 HH TYR 14 HH TYR 14 6.558 -2.498 -4.960
108 H CYS 15 H CYS 15 -0.344 0.260 -5.862
109 HA CYS 15 HA CYS 15 -0.933 -0.780 -3.166
110 HB2 CYS 15 HB2 CYS 15 -2.728 -0.554 -5.587
111 HB3 CYS 15 HB3 CYS 15 -3.170 -1.379 -4.097
112 H ILE 16 H ILE 16 -0.378 -2.835 -2.823
113 HA ILE 16 HA ILE 16 0.049 -4.564 -5.178
114 HB ILE 16 HB ILE 16 1.703 -5.788 -3.972
115 HG12 ILE 16 HG12 ILE 16 1.049 -4.070 -1.574
116 HG13 ILE 16 HG13 ILE 16 0.569 -5.748 -1.775
117 HG21 ILE 16 HG21 ILE 16 2.510 -3.749 -4.984
118 HG22 ILE 16 HG22 ILE 16 3.394 -4.085 -3.494
119 HG23 ILE 16 HG23 ILE 16 2.136 -2.847 -3.515
120 HD11 ILE 16 HD11 ILE 16 2.934 -6.397 -1.815
121 HD12 ILE 16 HD12 ILE 16 2.469 -5.599 -0.313
122 HD13 ILE 16 HD13 ILE 16 3.382 -4.714 -1.537
123 H ARG 17 H ARG 17 -0.733 -6.670 -5.092
124 HA ARG 17 HA ARG 17 -2.748 -7.171 -3.065
125 HB2 ARG 17 HB2 ARG 17 -2.895 -9.400 -4.522
126 HB3 ARG 17 HB3 ARG 17 -3.702 -7.918 -4.986
127 HG2 ARG 17 HG2 ARG 17 -2.705 -8.841 -6.926
128 HG3 ARG 17 HG3 ARG 17 -1.771 -7.418 -6.492
129 HD2 ARG 17 HD2 ARG 17 -0.867 -10.052 -5.457
130 HD3 ARG 17 HD3 ARG 17 -0.642 -9.724 -7.170
131 HE ARG 17 HE ARG 17 0.450 -7.537 -6.095
132 HH11 ARG 17 HH11 ARG 17 0.815 -10.919 -5.258
133 HH12 ARG 17 HH12 ARG 17 2.450 -10.738 -4.711
134 HH21 ARG 17 HH21 ARG 17 2.600 -7.297 -5.365
135 HH22 ARG 17 HH22 ARG 17 3.467 -8.675 -4.767
136 H SER 18 H SER 18 -1.359 -7.313 -1.348
137 HA SER 18 HA SER 18 -0.536 -9.819 -0.459
138 HB2 SER 18 HB2 SER 18 1.667 -8.079 -1.603
139 HB3 SER 18 HB3 SER 18 1.982 -9.264 -0.339
140 HG SER 18 HG SER 18 0.600 -10.095 -2.628
141 H LYS 19 H LYS 19 0.975 -9.400 1.591
142 HA LYS 19 HA LYS 19 0.387 -6.725 2.659
143 HB2 LYS 19 HB2 LYS 19 0.242 -9.340 4.166
144 HB3 LYS 19 HB3 LYS 19 0.115 -7.749 4.907
145 HG2 LYS 19 HG2 LYS 19 -1.823 -7.401 3.219
146 HG3 LYS 19 HG3 LYS 19 -1.813 -9.162 3.117
147 HD2 LYS 19 HD2 LYS 19 -2.149 -9.317 5.521
148 HD3 LYS 19 HD3 LYS 19 -2.106 -7.558 5.654
149 HE2 LYS 19 HE2 LYS 19 -4.156 -9.218 4.195
150 HE3 LYS 19 HE3 LYS 19 -4.397 -8.297 5.677
151 HZ1 LYS 19 HZ1 LYS 19 -3.741 -7.129 3.071
152 HZ2 LYS 19 HZ2 LYS 19 -4.029 -6.302 4.440
153 HZ3 LYS 19 HZ3 LYS 19 -5.228 -7.149 3.737
154 H VAL 20 H VAL 20 2.699 -7.817 1.308
155 HA VAL 20 HA VAL 20 4.693 -7.221 3.383
156 HB VAL 20 HB VAL 20 5.063 -9.210 1.128
157 HG11 VAL 20 HG11 VAL 20 7.112 -8.016 1.661
158 HG12 VAL 20 HG12 VAL 20 7.215 -9.691 2.204
159 HG13 VAL 20 HG13 VAL 20 6.911 -8.403 3.369
160 HG21 VAL 20 HG21 VAL 20 5.190 -10.906 2.891
161 HG22 VAL 20 HG22 VAL 20 3.617 -10.110 2.871
162 HG23 VAL 20 HG23 VAL 20 4.808 -9.679 4.098
163 H CYS 21 H CYS 21 5.183 -5.172 2.844
164 HA CYS 21 HA CYS 21 5.353 -4.381 0.062
165 HB2 CYS 21 HB2 CYS 21 5.530 -2.857 2.657
166 HB3 CYS 21 HB3 CYS 21 5.822 -2.104 1.090
167 HA PRO 22 HA PRO 22 9.757 -4.998 -0.039
168 HB2 PRO 22 HB2 PRO 22 10.138 -3.844 -2.471
169 HB3 PRO 22 HB3 PRO 22 9.568 -5.503 -2.259
170 HG2 PRO 22 HG2 PRO 22 8.043 -3.043 -2.944
171 HG3 PRO 22 HG3 PRO 22 7.798 -4.710 -3.483
172 HD2 PRO 22 HD2 PRO 22 6.284 -3.481 -1.562
173 HD3 PRO 22 HD3 PRO 22 6.513 -5.235 -1.674
174 H LYS 23 H LYS 23 11.568 -3.723 0.272
175 HA LYS 23 HA LYS 23 11.063 -1.049 1.120
176 HB2 LYS 23 HB2 LYS 23 13.466 -1.045 1.670
177 HB3 LYS 23 HB3 LYS 23 12.615 -2.437 2.331
178 HG2 LYS 23 HG2 LYS 23 13.408 -3.731 0.327
179 HG3 LYS 23 HG3 LYS 23 14.451 -2.353 -0.041
180 HD2 LYS 23 HD2 LYS 23 15.505 -2.556 2.129
181 HD3 LYS 23 HD3 LYS 23 14.427 -3.896 2.530
182 HE2 LYS 23 HE2 LYS 23 16.376 -3.901 0.230
183 HE3 LYS 23 HE3 LYS 23 16.692 -4.628 1.805
184 HZ1 LYS 23 HZ1 LYS 23 14.528 -5.404 -0.022
185 HZ2 LYS 23 HZ2 LYS 23 14.816 -6.075 1.431
186 HZ3 LYS 23 HZ3 LYS 23 15.898 -6.243 0.232
187 HA PRO 24 HA PRO 24 11.950 0.505 1.557
188 HB2 PRO 24 HB2 PRO 24 12.205 3.146 1.263
189 HB3 PRO 24 HB3 PRO 24 13.618 2.087 1.275
190 HG2 PRO 24 HG2 PRO 24 12.290 3.452 -1.005
191 HG3 PRO 24 HG3 PRO 24 14.001 3.062 -0.770
192 HD2 PRO 24 HD2 PRO 24 12.118 1.606 -2.302
193 HD3 PRO 24 HD3 PRO 24 13.760 1.102 -1.868
194 H PHE 25 H PHE 25 9.809 0.119 1.869
195 HA PHE 25 HA PHE 25 7.975 2.303 1.435
196 HB2 PHE 25 HB2 PHE 25 7.607 -0.373 0.104
197 HB3 PHE 25 HB3 PHE 25 6.213 0.576 0.596
198 HD1 PHE 25 HD1 PHE 25 8.803 0.151 -1.883
199 HD2 PHE 25 HD2 PHE 25 5.860 2.829 -0.380
200 HE1 PHE 25 HE1 PHE 25 8.901 1.435 -3.981
201 HE2 PHE 25 HE2 PHE 25 5.942 4.116 -2.467
202 HZ PHE 25 HZ PHE 25 7.472 3.422 -4.277
203 H ALA 26 H ALA 26 5.994 2.000 2.681
204 HA ALA 26 HA ALA 26 6.410 0.127 4.922
205 HB1 ALA 26 HB1 ALA 26 5.244 1.716 6.336
206 HB2 ALA 26 HB2 ALA 26 4.964 2.773 4.953
207 HB3 ALA 26 HB3 ALA 26 6.605 2.503 5.539
208 H ALA 27 H ALA 27 4.673 -1.066 5.664
209 HA ALA 27 HA ALA 27 2.554 -1.577 3.818
210 HB1 ALA 27 HB1 ALA 27 3.468 -3.363 5.205
211 HB2 ALA 27 HB2 ALA 27 1.743 -3.158 5.515
212 HB3 ALA 27 HB3 ALA 27 2.928 -2.526 6.660
213 H PHE 28 H PHE 28 1.430 0.313 3.560
214 HA PHE 28 HA PHE 28 0.394 1.751 5.850
215 HB2 PHE 28 HB2 PHE 28 1.289 2.944 3.867
216 HB3 PHE 28 HB3 PHE 28 0.026 2.231 2.877
217 HD1 PHE 28 HD1 PHE 28 -2.398 2.819 3.446
218 HD2 PHE 28 HD2 PHE 28 0.952 4.949 4.976
219 HE1 PHE 28 HE1 PHE 28 -3.851 4.732 3.945
220 HE2 PHE 28 HE2 PHE 28 -0.501 6.862 5.492
221 HZ PHE 28 HZ PHE 28 -2.905 6.754 4.968
222 H GLY 29 H GLY 29 -1.038 0.239 6.747
223 HA2 GLY 29 HA2 GLY 29 -3.070 -0.764 7.083
224 HA3 GLY 29 HA3 GLY 29 -3.684 0.641 6.228
225 H THR 30 H THR 30 -4.849 0.241 4.508
226 HA THR 30 HA THR 30 -4.310 -2.145 2.913
227 HB THR 30 HB THR 30 -6.810 -2.488 2.747
228 HG1 THR 30 HG1 THR 30 -7.233 -0.351 3.775
229 HG21 THR 30 HG21 THR 30 -6.921 -3.739 4.863
230 HG22 THR 30 HG22 THR 30 -5.485 -2.881 5.432
231 HG23 THR 30 HG23 THR 30 -5.371 -3.968 4.046
232 H CYS 31 H CYS 31 -4.931 -2.056 0.843
233 HA CYS 31 HA CYS 31 -5.718 0.535 -0.285
234 HB2 CYS 31 HB2 CYS 31 -4.006 -1.690 -1.227
235 HB3 CYS 31 HB3 CYS 31 -5.030 -0.944 -2.442
236 H SER 32 H SER 32 -6.665 -0.547 -2.746
237 HA SER 32 HA SER 32 -9.215 -1.090 -2.710
238 HB2 SER 32 HB2 SER 32 -7.432 -3.034 -4.123
239 HB3 SER 32 HB3 SER 32 -8.939 -2.320 -4.686
240 HG SER 32 HG SER 32 -7.007 -1.393 -5.632
241 H TRP 33 H TRP 33 -10.297 -2.069 -1.135
242 HA TRP 33 HA TRP 33 -11.081 -3.566 0.348
243 HB2 TRP 33 HB2 TRP 33 -9.985 -5.672 -1.519
244 HB3 TRP 33 HB3 TRP 33 -11.351 -5.815 -0.415
245 HD1 TRP 33 HD1 TRP 33 -10.840 -5.502 -3.930
246 HE1 TRP 33 HE1 TRP 33 -12.814 -4.376 -5.130
247 HE3 TRP 33 HE3 TRP 33 -13.156 -3.392 0.109
248 HZ2 TRP 33 HZ2 TRP 33 -15.042 -2.782 -4.460
249 HZ3 TRP 33 HZ3 TRP 33 -15.185 -2.057 -0.264
250 HH2 TRP 33 HH2 TRP 33 -16.109 -1.769 -2.508
251 H ARG 34 H ARG 34 -10.462 -5.534 1.769
252 HA ARG 34 HA ARG 34 -8.020 -4.794 3.050
253 HB2 ARG 34 HB2 ARG 34 -8.574 -6.499 4.701
254 HB3 ARG 34 HB3 ARG 34 -9.971 -5.498 4.347
255 HG2 ARG 34 HG2 ARG 34 -10.853 -7.253 2.884
256 HG3 ARG 34 HG3 ARG 34 -9.453 -8.259 3.260
257 HD2 ARG 34 HD2 ARG 34 -11.497 -7.261 5.243
258 HD3 ARG 34 HD3 ARG 34 -11.411 -8.892 4.585
259 HE ARG 34 HE ARG 34 -9.032 -7.952 5.951
260 HH11 ARG 34 HH11 ARG 34 -12.007 -9.784 6.152
261 HH12 ARG 34 HH12 ARG 34 -11.532 -10.641 7.582
262 HH21 ARG 34 HH21 ARG 34 -8.383 -9.110 7.806
263 HH22 ARG 34 HH22 ARG 34 -9.465 -10.258 8.523
264 H GLN 35 H GLN 35 -8.093 -6.154 0.331
265 HA GLN 35 HA GLN 35 -6.562 -8.588 0.808
266 HB2 GLN 35 HB2 GLN 35 -7.475 -7.363 -1.798
267 HB3 GLN 35 HB3 GLN 35 -6.878 -8.998 -1.553
268 HG2 GLN 35 HG2 GLN 35 -9.373 -7.935 -0.268
269 HG3 GLN 35 HG3 GLN 35 -9.352 -8.783 -1.807
270 HE21 GLN 35 HE21 GLN 35 -8.968 -9.054 1.612
271 HE22 GLN 35 HE22 GLN 35 -8.988 -10.776 1.689
272 H LYS 36 H LYS 36 -6.319 -5.464 -0.848
273 HA LYS 36 HA LYS 36 -3.491 -5.962 -1.370
274 HB2 LYS 36 HB2 LYS 36 -5.070 -3.535 -2.209
275 HB3 LYS 36 HB3 LYS 36 -3.546 -4.102 -2.858
276 HG2 LYS 36 HG2 LYS 36 -4.757 -6.130 -3.685
277 HG3 LYS 36 HG3 LYS 36 -6.264 -5.336 -3.221
278 HD2 LYS 36 HD2 LYS 36 -5.925 -4.943 -5.549
279 HD3 LYS 36 HD3 LYS 36 -5.610 -3.428 -4.703
280 HE2 LYS 36 HE2 LYS 36 -3.245 -3.736 -4.894
281 HE3 LYS 36 HE3 LYS 36 -3.459 -5.367 -5.527
282 HZ1 LYS 36 HZ1 LYS 36 -4.293 -2.898 -6.881
283 HZ2 LYS 36 HZ2 LYS 36 -4.490 -4.401 -7.463
284 HZ3 LYS 36 HZ3 LYS 36 -2.995 -3.799 -7.271
285 H THR 37 H THR 37 -1.891 -4.841 -0.412
286 HA THR 37 HA THR 37 -2.644 -3.010 1.757
287 HB THR 37 HB THR 37 0.020 -4.364 1.246
288 HG1 THR 37 HG1 THR 37 -1.241 -5.985 1.912
289 HG21 THR 37 HG21 THR 37 0.231 -2.287 2.531
290 HG22 THR 37 HG22 THR 37 0.548 -3.694 3.546
291 HG23 THR 37 HG23 THR 37 -0.999 -2.855 3.661
292 H CYS 38 H CYS 38 -1.754 -0.936 1.850
293 HA CYS 38 HA CYS 38 -0.864 0.141 -0.681
294 HB2 CYS 38 HB2 CYS 38 -2.463 1.452 0.539
295 HB3 CYS 38 HB3 CYS 38 -1.470 1.412 1.991
296 H CYS 39 H CYS 39 1.163 0.722 -1.186
297 HA CYS 39 HA CYS 39 3.191 0.509 0.937
298 HB2 CYS 39 HB2 CYS 39 3.529 -0.021 -2.024
299 HB3 CYS 39 HB3 CYS 39 4.797 -0.146 -0.803
300 H VAL 40 H VAL 40 3.735 2.477 1.548
301 HA VAL 40 HA VAL 40 4.389 4.466 -0.499
302 HB VAL 40 HB VAL 40 3.388 6.236 1.031
303 HG11 VAL 40 HG11 VAL 40 1.179 6.010 0.087
304 HG12 VAL 40 HG12 VAL 40 1.446 4.291 -0.202
305 HG13 VAL 40 HG13 VAL 40 2.375 5.491 -1.103
306 HG21 VAL 40 HG21 VAL 40 1.938 3.852 2.140
307 HG22 VAL 40 HG22 VAL 40 1.609 5.545 2.519
308 HG23 VAL 40 HG23 VAL 40 3.139 4.811 3.006
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 -13.765 4.561 -7.641
2 H2 LEU 1 H2 LEU 1 -14.451 4.397 -6.179
3 H3 LEU 1 H3 LEU 1 -14.690 3.264 -7.316
4 HA LEU 1 HA LEU 1 -12.400 2.640 -7.298
5 HB2 LEU 1 HB2 LEU 1 -10.880 3.581 -5.690
6 HB3 LEU 1 HB3 LEU 1 -11.567 4.883 -6.636
7 HG LEU 1 HG LEU 1 -12.872 4.245 -4.039
8 HD11 LEU 1 HD11 LEU 1 -11.254 5.649 -2.841
9 HD12 LEU 1 HD12 LEU 1 -10.242 5.697 -4.286
10 HD13 LEU 1 HD13 LEU 1 -10.518 4.167 -3.453
11 HD21 LEU 1 HD21 LEU 1 -13.160 6.668 -3.996
12 HD22 LEU 1 HD22 LEU 1 -13.757 5.991 -5.509
13 HD23 LEU 1 HD23 LEU 1 -12.201 6.817 -5.466
14 HA PRO 2 HA PRO 2 -13.289 -0.672 -4.469
15 HB2 PRO 2 HB2 PRO 2 -10.594 0.073 -3.388
16 HB3 PRO 2 HB3 PRO 2 -11.265 -1.529 -3.693
17 HG2 PRO 2 HG2 PRO 2 -9.595 -0.457 -5.430
18 HG3 PRO 2 HG3 PRO 2 -11.041 -1.316 -6.010
19 HD2 PRO 2 HD2 PRO 2 -10.469 1.597 -5.947
20 HD3 PRO 2 HD3 PRO 2 -11.484 0.669 -7.067
21 H ARG 3 H ARG 3 -11.138 1.235 -2.399
22 HA ARG 3 HA ARG 3 -13.257 2.311 -0.813
23 HB2 ARG 3 HB2 ARG 3 -12.672 1.080 1.274
24 HB3 ARG 3 HB3 ARG 3 -13.421 0.085 0.043
25 HG2 ARG 3 HG2 ARG 3 -11.394 -0.995 -0.470
26 HG3 ARG 3 HG3 ARG 3 -10.451 0.190 0.432
27 HD2 ARG 3 HD2 ARG 3 -12.500 -1.576 1.733
28 HD3 ARG 3 HD3 ARG 3 -10.813 -2.055 1.548
29 HE ARG 3 HE ARG 3 -10.750 0.438 2.728
30 HH11 ARG 3 HH11 ARG 3 -12.101 -2.699 3.524
31 HH12 ARG 3 HH12 ARG 3 -11.938 -2.468 5.237
32 HH21 ARG 3 HH21 ARG 3 -10.515 0.724 4.966
33 HH22 ARG 3 HH22 ARG 3 -11.031 -0.523 6.058
34 H ASP 4 H ASP 4 -9.807 1.419 -0.808
35 HA ASP 4 HA ASP 4 -9.263 3.978 0.532
36 HB2 ASP 4 HB2 ASP 4 -8.297 1.222 1.164
37 HB3 ASP 4 HB3 ASP 4 -7.238 2.587 1.468
38 H THR 5 H THR 5 -8.775 2.248 -2.232
39 HA THR 5 HA THR 5 -6.149 2.304 -2.917
40 HB THR 5 HB THR 5 -8.208 3.276 -4.869
41 HG1 THR 5 HG1 THR 5 -8.031 0.538 -4.545
42 HG21 THR 5 HG21 THR 5 -6.972 1.882 -6.412
43 HG22 THR 5 HG22 THR 5 -5.988 1.238 -5.098
44 HG23 THR 5 HG23 THR 5 -5.839 2.934 -5.559
45 H SER 6 H SER 6 -8.365 5.010 -3.714
46 HA SER 6 HA SER 6 -6.300 6.664 -4.689
47 HB2 SER 6 HB2 SER 6 -9.052 7.442 -3.701
48 HB3 SER 6 HB3 SER 6 -7.986 8.459 -4.670
49 HG SER 6 HG SER 6 -8.079 6.352 -6.069
50 H ARG 7 H ARG 7 -7.523 6.102 -1.513
51 HA ARG 7 HA ARG 7 -6.609 8.436 -0.243
52 HB2 ARG 7 HB2 ARG 7 -8.157 7.042 0.908
53 HB3 ARG 7 HB3 ARG 7 -7.120 5.633 0.740
54 HG2 ARG 7 HG2 ARG 7 -5.588 6.464 2.350
55 HG3 ARG 7 HG3 ARG 7 -6.373 8.047 2.372
56 HD2 ARG 7 HD2 ARG 7 -7.682 5.460 3.210
57 HD3 ARG 7 HD3 ARG 7 -6.960 6.625 4.322
58 HE ARG 7 HE ARG 7 -8.647 8.231 3.215
59 HH11 ARG 7 HH11 ARG 7 -9.253 4.819 3.811
60 HH12 ARG 7 HH12 ARG 7 -10.959 5.059 4.050
61 HH21 ARG 7 HH21 ARG 7 -10.881 8.512 3.513
62 HH22 ARG 7 HH22 ARG 7 -11.884 7.144 3.876
63 H CYS 8 H CYS 8 -5.083 5.241 -0.664
64 HA CYS 8 HA CYS 8 -2.699 6.001 0.671
65 HB2 CYS 8 HB2 CYS 8 -3.171 3.719 -1.236
66 HB3 CYS 8 HB3 CYS 8 -1.896 3.854 -0.027
67 H VAL 9 H VAL 9 -3.598 5.723 -2.773
68 HA VAL 9 HA VAL 9 -0.953 6.294 -3.704
69 HB VAL 9 HB VAL 9 -3.493 6.732 -5.269
70 HG11 VAL 9 HG11 VAL 9 -2.090 6.190 -7.199
71 HG12 VAL 9 HG12 VAL 9 -0.700 6.007 -6.131
72 HG13 VAL 9 HG13 VAL 9 -1.469 7.583 -6.314
73 HG21 VAL 9 HG21 VAL 9 -3.574 4.517 -4.261
74 HG22 VAL 9 HG22 VAL 9 -1.974 4.155 -4.913
75 HG23 VAL 9 HG23 VAL 9 -3.335 4.412 -6.006
76 H GLY 10 H GLY 10 -3.598 8.177 -2.598
77 HA2 GLY 10 HA2 GLY 10 -2.971 10.691 -3.685
78 HA3 GLY 10 HA3 GLY 10 -3.773 10.423 -2.145
79 H TYR 11 H TYR 11 -1.473 8.849 -1.134
80 HA TYR 11 HA TYR 11 0.186 11.033 -0.262
81 HB2 TYR 11 HB2 TYR 11 0.291 8.061 0.297
82 HB3 TYR 11 HB3 TYR 11 1.428 9.215 0.984
83 HD1 TYR 11 HD1 TYR 11 -1.989 7.931 1.096
84 HD2 TYR 11 HD2 TYR 11 0.695 10.830 2.673
85 HE1 TYR 11 HE1 TYR 11 -3.544 8.351 2.949
86 HE2 TYR 11 HE2 TYR 11 -0.856 11.258 4.532
87 HH TYR 11 HH TYR 11 -3.524 9.226 5.211
88 H HIS 12 H HIS 12 1.988 8.165 -0.766
89 HA HIS 12 HA HIS 12 2.852 8.834 -3.458
90 HB2 HIS 12 HB2 HIS 12 4.881 8.809 -1.204
91 HB3 HIS 12 HB3 HIS 12 5.227 9.021 -2.912
92 HD1 HIS 12 HD1 HIS 12 4.629 11.362 -3.950
93 HD2 HIS 12 HD2 HIS 12 4.140 11.076 0.164
94 HE1 HIS 12 HE1 HIS 12 4.424 13.725 -3.130
95 HE2 HIS 12 HE2 HIS 12 4.357 13.529 -0.623
96 H GLY 13 H GLY 13 2.483 6.781 -4.259
97 HA2 GLY 13 HA2 GLY 13 4.267 4.772 -4.110
98 HA3 GLY 13 HA3 GLY 13 3.287 4.476 -2.683
99 H TYR 14 H TYR 14 2.273 2.611 -3.275
100 HA TYR 14 HA TYR 14 0.226 2.769 -5.264
101 HB2 TYR 14 HB2 TYR 14 1.030 1.080 -6.791
102 HB3 TYR 14 HB3 TYR 14 2.185 2.394 -6.716
103 HD1 TYR 14 HD1 TYR 14 1.828 -1.079 -6.766
104 HD2 TYR 14 HD2 TYR 14 4.154 1.981 -4.936
105 HE1 TYR 14 HE1 TYR 14 3.625 -2.701 -6.361
106 HE2 TYR 14 HE2 TYR 14 5.956 0.361 -4.517
107 HH TYR 14 HH TYR 14 6.135 -2.613 -6.009
108 H CYS 15 H CYS 15 -0.527 0.348 -5.724
109 HA CYS 15 HA CYS 15 -0.984 -0.791 -3.048
110 HB2 CYS 15 HB2 CYS 15 -2.717 -0.859 -5.526
111 HB3 CYS 15 HB3 CYS 15 -3.121 -1.612 -3.986
112 H ILE 16 H ILE 16 -0.619 -2.947 -2.688
113 HA ILE 16 HA ILE 16 0.156 -4.575 -5.015
114 HB ILE 16 HB ILE 16 2.086 -5.401 -4.017
115 HG12 ILE 16 HG12 ILE 16 1.293 -4.158 -1.377
116 HG13 ILE 16 HG13 ILE 16 1.044 -5.852 -1.788
117 HG21 ILE 16 HG21 ILE 16 3.435 -3.485 -3.358
118 HG22 ILE 16 HG22 ILE 16 1.968 -2.535 -3.123
119 HG23 ILE 16 HG23 ILE 16 2.401 -3.104 -4.735
120 HD11 ILE 16 HD11 ILE 16 3.691 -4.441 -1.556
121 HD12 ILE 16 HD12 ILE 16 3.471 -6.126 -2.026
122 HD13 ILE 16 HD13 ILE 16 3.006 -5.593 -0.410
123 H ARG 17 H ARG 17 -0.317 -6.774 -4.854
124 HA ARG 17 HA ARG 17 -2.064 -7.553 -2.665
125 HB2 ARG 17 HB2 ARG 17 -1.744 -9.816 -4.217
126 HB3 ARG 17 HB3 ARG 17 -3.072 -8.679 -4.315
127 HG2 ARG 17 HG2 ARG 17 -2.367 -8.987 -6.514
128 HG3 ARG 17 HG3 ARG 17 -1.689 -7.436 -6.044
129 HD2 ARG 17 HD2 ARG 17 -0.074 -9.941 -5.782
130 HD3 ARG 17 HD3 ARG 17 -0.234 -9.148 -7.343
131 HE ARG 17 HE ARG 17 1.253 -8.201 -5.034
132 HH11 ARG 17 HH11 ARG 17 -0.096 -7.411 -8.171
133 HH12 ARG 17 HH12 ARG 17 1.040 -6.135 -8.472
134 HH21 ARG 17 HH21 ARG 17 2.748 -6.534 -5.438
135 HH22 ARG 17 HH22 ARG 17 2.658 -5.635 -6.921
136 H SER 18 H SER 18 -0.617 -7.549 -1.005
137 HA SER 18 HA SER 18 0.618 -9.926 -0.281
138 HB2 SER 18 HB2 SER 18 2.320 -9.355 -1.994
139 HB3 SER 18 HB3 SER 18 2.587 -7.803 -1.205
140 HG SER 18 HG SER 18 4.135 -9.412 -0.618
141 H LYS 19 H LYS 19 1.338 -9.782 1.917
142 HA LYS 19 HA LYS 19 0.511 -7.315 3.227
143 HB2 LYS 19 HB2 LYS 19 1.392 -9.923 4.472
144 HB3 LYS 19 HB3 LYS 19 0.621 -8.578 5.299
145 HG2 LYS 19 HG2 LYS 19 -0.592 -10.413 3.252
146 HG3 LYS 19 HG3 LYS 19 -1.019 -10.257 4.951
147 HD2 LYS 19 HD2 LYS 19 -1.393 -8.149 2.826
148 HD3 LYS 19 HD3 LYS 19 -2.666 -9.152 3.520
149 HE2 LYS 19 HE2 LYS 19 -2.380 -8.132 5.671
150 HE3 LYS 19 HE3 LYS 19 -0.947 -7.263 5.120
151 HZ1 LYS 19 HZ1 LYS 19 -3.676 -6.849 4.129
152 HZ2 LYS 19 HZ2 LYS 19 -2.357 -6.059 3.592
153 HZ3 LYS 19 HZ3 LYS 19 -2.865 -5.849 5.123
154 H VAL 20 H VAL 20 3.257 -8.462 1.899
155 HA VAL 20 HA VAL 20 4.970 -7.037 3.827
156 HB VAL 20 HB VAL 20 5.803 -9.140 1.816
157 HG11 VAL 20 HG11 VAL 20 7.374 -7.796 4.013
158 HG12 VAL 20 HG12 VAL 20 7.558 -7.508 2.283
159 HG13 VAL 20 HG13 VAL 20 7.960 -9.086 2.960
160 HG21 VAL 20 HG21 VAL 20 5.528 -9.350 4.813
161 HG22 VAL 20 HG22 VAL 20 6.151 -10.602 3.737
162 HG23 VAL 20 HG23 VAL 20 4.465 -10.100 3.622
163 H CYS 21 H CYS 21 5.271 -5.027 3.105
164 HA CYS 21 HA CYS 21 5.174 -4.422 0.292
165 HB2 CYS 21 HB2 CYS 21 5.489 -2.775 2.781
166 HB3 CYS 21 HB3 CYS 21 5.761 -2.068 1.191
167 HA PRO 22 HA PRO 22 9.506 -4.972 -0.475
168 HB2 PRO 22 HB2 PRO 22 9.563 -3.508 -2.792
169 HB3 PRO 22 HB3 PRO 22 9.050 -5.197 -2.697
170 HG2 PRO 22 HG2 PRO 22 7.402 -2.715 -2.815
171 HG3 PRO 22 HG3 PRO 22 7.127 -4.288 -3.583
172 HD2 PRO 22 HD2 PRO 22 5.799 -3.513 -1.370
173 HD3 PRO 22 HD3 PRO 22 6.228 -5.209 -1.674
174 H LYS 23 H LYS 23 11.384 -3.762 -0.254
175 HA LYS 23 HA LYS 23 10.991 -1.142 0.850
176 HB2 LYS 23 HB2 LYS 23 13.435 -1.259 1.329
177 HB3 LYS 23 HB3 LYS 23 12.496 -2.579 2.008
178 HG2 LYS 23 HG2 LYS 23 14.349 -3.677 1.206
179 HG3 LYS 23 HG3 LYS 23 13.205 -3.872 -0.116
180 HD2 LYS 23 HD2 LYS 23 15.324 -3.285 -1.052
181 HD3 LYS 23 HD3 LYS 23 14.251 -1.893 -1.219
182 HE2 LYS 23 HE2 LYS 23 15.270 -0.860 0.741
183 HE3 LYS 23 HE3 LYS 23 16.315 -2.262 0.949
184 HZ1 LYS 23 HZ1 LYS 23 17.274 -1.744 -1.206
185 HZ2 LYS 23 HZ2 LYS 23 17.470 -0.515 -0.163
186 HZ3 LYS 23 HZ3 LYS 23 16.341 -0.413 -1.326
187 HA PRO 24 HA PRO 24 11.855 0.443 1.309
188 HB2 PRO 24 HB2 PRO 24 12.195 3.060 1.072
189 HB3 PRO 24 HB3 PRO 24 13.578 1.959 0.982
190 HG2 PRO 24 HG2 PRO 24 12.144 3.394 -1.208
191 HG3 PRO 24 HG3 PRO 24 13.871 3.039 -1.044
192 HD2 PRO 24 HD2 PRO 24 11.992 1.572 -2.547
193 HD3 PRO 24 HD3 PRO 24 13.638 1.066 -2.132
194 H PHE 25 H PHE 25 9.734 0.177 1.752
195 HA PHE 25 HA PHE 25 7.916 2.353 1.192
196 HB2 PHE 25 HB2 PHE 25 7.530 -0.380 0.019
197 HB3 PHE 25 HB3 PHE 25 6.132 0.557 0.516
198 HD1 PHE 25 HD1 PHE 25 5.723 2.774 -0.523
199 HD2 PHE 25 HD2 PHE 25 8.632 0.063 -2.026
200 HE1 PHE 25 HE1 PHE 25 5.702 3.967 -2.667
201 HE2 PHE 25 HE2 PHE 25 8.628 1.250 -4.179
202 HZ PHE 25 HZ PHE 25 7.163 3.205 -4.506
203 H ALA 26 H ALA 26 5.943 2.171 2.442
204 HA ALA 26 HA ALA 26 6.264 0.411 4.786
205 HB1 ALA 26 HB1 ALA 26 6.573 2.786 5.326
206 HB2 ALA 26 HB2 ALA 26 5.146 2.114 6.114
207 HB3 ALA 26 HB3 ALA 26 4.966 3.131 4.686
208 H ALA 27 H ALA 27 4.562 -0.816 5.407
209 HA ALA 27 HA ALA 27 2.367 -1.154 3.617
210 HB1 ALA 27 HB1 ALA 27 3.295 -3.044 4.857
211 HB2 ALA 27 HB2 ALA 27 1.581 -2.828 5.225
212 HB3 ALA 27 HB3 ALA 27 2.804 -2.296 6.377
213 H PHE 28 H PHE 28 0.995 0.473 3.476
214 HA PHE 28 HA PHE 28 0.085 1.866 5.884
215 HB2 PHE 28 HB2 PHE 28 0.934 3.152 3.914
216 HB3 PHE 28 HB3 PHE 28 -0.391 2.519 2.961
217 HD1 PHE 28 HD1 PHE 28 0.729 5.205 4.871
218 HD2 PHE 28 HD2 PHE 28 -2.801 3.006 3.971
219 HE1 PHE 28 HE1 PHE 28 -0.635 7.127 5.543
220 HE2 PHE 28 HE2 PHE 28 -4.175 4.931 4.644
221 HZ PHE 28 HZ PHE 28 -3.093 6.997 5.427
222 H GLY 29 H GLY 29 -1.379 0.428 6.767
223 HA2 GLY 29 HA2 GLY 29 -3.398 -0.601 7.082
224 HA3 GLY 29 HA3 GLY 29 -4.021 0.728 6.124
225 H THR 30 H THR 30 -5.180 0.143 4.453
226 HA THR 30 HA THR 30 -4.463 -2.251 2.932
227 HB THR 30 HB THR 30 -6.941 -2.830 2.854
228 HG1 THR 30 HG1 THR 30 -7.628 -0.837 3.881
229 HG21 THR 30 HG21 THR 30 -5.297 -4.180 4.036
230 HG22 THR 30 HG22 THR 30 -6.814 -4.123 4.936
231 HG23 THR 30 HG23 THR 30 -5.443 -3.140 5.453
232 H CYS 31 H CYS 31 -4.834 -2.114 0.856
233 HA CYS 31 HA CYS 31 -5.809 0.384 -0.274
234 HB2 CYS 31 HB2 CYS 31 -4.056 -1.801 -1.169
235 HB3 CYS 31 HB3 CYS 31 -5.120 -1.159 -2.412
236 H SER 32 H SER 32 -6.724 -0.684 -2.742
237 HA SER 32 HA SER 32 -9.316 -1.150 -2.630
238 HB2 SER 32 HB2 SER 32 -7.605 -3.011 -4.235
239 HB3 SER 32 HB3 SER 32 -9.139 -2.273 -4.683
240 HG SER 32 HG SER 32 -7.209 -1.319 -5.653
241 H TRP 33 H TRP 33 -10.320 -2.209 -1.046
242 HA TRP 33 HA TRP 33 -11.042 -3.807 0.367
243 HB2 TRP 33 HB2 TRP 33 -10.041 -5.756 -1.706
244 HB3 TRP 33 HB3 TRP 33 -11.363 -5.986 -0.563
245 HD1 TRP 33 HD1 TRP 33 -11.019 -5.490 -4.045
246 HE1 TRP 33 HE1 TRP 33 -13.017 -4.259 -5.099
247 HE3 TRP 33 HE3 TRP 33 -13.051 -3.465 0.188
248 HZ2 TRP 33 HZ2 TRP 33 -15.156 -2.631 -4.247
249 HZ3 TRP 33 HZ3 TRP 33 -15.064 -2.073 -0.024
250 HH2 TRP 33 HH2 TRP 33 -16.090 -1.665 -2.204
251 H ARG 34 H ARG 34 -10.332 -5.923 1.582
252 HA ARG 34 HA ARG 34 -7.710 -5.355 2.630
253 HB2 ARG 34 HB2 ARG 34 -8.163 -7.135 4.254
254 HB3 ARG 34 HB3 ARG 34 -9.476 -5.972 4.179
255 HG2 ARG 34 HG2 ARG 34 -10.839 -7.498 2.930
256 HG3 ARG 34 HG3 ARG 34 -9.498 -8.634 2.773
257 HD2 ARG 34 HD2 ARG 34 -10.752 -7.792 5.385
258 HD3 ARG 34 HD3 ARG 34 -11.127 -9.283 4.521
259 HE ARG 34 HE ARG 34 -8.493 -9.515 4.792
260 HH11 ARG 34 HH11 ARG 34 -10.926 -8.575 7.138
261 HH12 ARG 34 HH12 ARG 34 -10.038 -9.209 8.489
262 HH21 ARG 34 HH21 ARG 34 -7.338 -10.349 6.571
263 HH22 ARG 34 HH22 ARG 34 -8.000 -10.208 8.167
264 H GLN 35 H GLN 35 -7.939 -6.304 -0.102
265 HA GLN 35 HA GLN 35 -6.610 -8.918 -0.019
266 HB2 GLN 35 HB2 GLN 35 -7.651 -7.381 -2.404
267 HB3 GLN 35 HB3 GLN 35 -7.135 -9.063 -2.375
268 HG2 GLN 35 HG2 GLN 35 -9.420 -8.054 -0.722
269 HG3 GLN 35 HG3 GLN 35 -9.622 -8.618 -2.376
270 HE21 GLN 35 HE21 GLN 35 -8.823 -9.520 0.881
271 HE22 GLN 35 HE22 GLN 35 -9.007 -11.227 0.672
272 H LYS 36 H LYS 36 -6.217 -5.564 -0.785
273 HA LYS 36 HA LYS 36 -3.442 -6.080 -1.627
274 HB2 LYS 36 HB2 LYS 36 -4.936 -3.587 -2.379
275 HB3 LYS 36 HB3 LYS 36 -3.531 -4.289 -3.133
276 HG2 LYS 36 HG2 LYS 36 -6.137 -5.745 -3.205
277 HG3 LYS 36 HG3 LYS 36 -5.824 -4.412 -4.319
278 HD2 LYS 36 HD2 LYS 36 -3.912 -6.702 -3.979
279 HD3 LYS 36 HD3 LYS 36 -5.244 -6.746 -5.137
280 HE2 LYS 36 HE2 LYS 36 -3.364 -4.426 -5.102
281 HE3 LYS 36 HE3 LYS 36 -2.890 -5.924 -5.885
282 HZ1 LYS 36 HZ1 LYS 36 -5.253 -4.307 -6.534
283 HZ2 LYS 36 HZ2 LYS 36 -4.900 -5.732 -7.231
284 HZ3 LYS 36 HZ3 LYS 36 -3.914 -4.456 -7.451
285 H THR 37 H THR 37 -1.869 -4.980 -0.572
286 HA THR 37 HA THR 37 -2.691 -3.250 1.657
287 HB THR 37 HB THR 37 0.045 -4.439 1.118
288 HG1 THR 37 HG1 THR 37 -0.836 -6.245 1.749
289 HG21 THR 37 HG21 THR 37 0.438 -3.982 3.497
290 HG22 THR 37 HG22 THR 37 -1.168 -3.264 3.626
291 HG23 THR 37 HG23 THR 37 0.061 -2.500 2.617
292 H CYS 38 H CYS 38 -1.819 -1.143 1.854
293 HA CYS 38 HA CYS 38 -0.989 0.043 -0.653
294 HB2 CYS 38 HB2 CYS 38 -1.380 1.313 2.054
295 HB3 CYS 38 HB3 CYS 38 -1.241 2.155 0.519
296 H CYS 39 H CYS 39 1.044 0.694 -1.140
297 HA CYS 39 HA CYS 39 3.056 0.482 1.000
298 HB2 CYS 39 HB2 CYS 39 3.382 -0.060 -1.958
299 HB3 CYS 39 HB3 CYS 39 4.686 -0.099 -0.772
300 H VAL 40 H VAL 40 3.617 2.427 1.632
301 HA VAL 40 HA VAL 40 4.255 4.452 -0.379
302 HB VAL 40 HB VAL 40 3.159 6.181 1.180
303 HG11 VAL 40 HG11 VAL 40 2.316 5.465 -1.064
304 HG12 VAL 40 HG12 VAL 40 1.055 6.000 0.052
305 HG13 VAL 40 HG13 VAL 40 1.301 4.276 -0.238
306 HG21 VAL 40 HG21 VAL 40 1.707 3.699 2.074
307 HG22 VAL 40 HG22 VAL 40 1.267 5.357 2.487
308 HG23 VAL 40 HG23 VAL 40 2.786 4.675 3.072
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 -14.465 4.592 -5.933
2 H2 LEU 1 H2 LEU 1 -14.592 3.477 -7.102
3 H3 LEU 1 H3 LEU 1 -13.742 4.836 -7.370
4 HA LEU 1 HA LEU 1 -12.309 2.957 -7.013
5 HB2 LEU 1 HB2 LEU 1 -10.798 4.008 -5.508
6 HB3 LEU 1 HB3 LEU 1 -11.605 5.269 -6.403
7 HG LEU 1 HG LEU 1 -11.399 6.115 -4.248
8 HD11 LEU 1 HD11 LEU 1 -13.664 6.420 -5.084
9 HD12 LEU 1 HD12 LEU 1 -13.612 6.330 -3.324
10 HD13 LEU 1 HD13 LEU 1 -14.164 4.943 -4.260
11 HD21 LEU 1 HD21 LEU 1 -12.329 3.475 -3.149
12 HD22 LEU 1 HD22 LEU 1 -11.952 4.911 -2.198
13 HD23 LEU 1 HD23 LEU 1 -10.682 4.108 -3.123
14 HA PRO 2 HA PRO 2 -13.295 -0.478 -4.473
15 HB2 PRO 2 HB2 PRO 2 -10.592 0.091 -3.329
16 HB3 PRO 2 HB3 PRO 2 -11.301 -1.456 -3.781
17 HG2 PRO 2 HG2 PRO 2 -9.578 -0.220 -5.384
18 HG3 PRO 2 HG3 PRO 2 -10.983 -1.084 -6.047
19 HD2 PRO 2 HD2 PRO 2 -10.466 1.819 -5.884
20 HD3 PRO 2 HD3 PRO 2 -11.541 0.925 -6.974
21 H ARG 3 H ARG 3 -11.096 1.202 -2.275
22 HA ARG 3 HA ARG 3 -13.164 2.258 -0.637
23 HB2 ARG 3 HB2 ARG 3 -12.805 0.869 1.348
24 HB3 ARG 3 HB3 ARG 3 -13.399 -0.076 0.002
25 HG2 ARG 3 HG2 ARG 3 -11.314 -1.099 -0.346
26 HG3 ARG 3 HG3 ARG 3 -10.487 0.058 0.701
27 HD2 ARG 3 HD2 ARG 3 -12.606 -1.857 1.660
28 HD3 ARG 3 HD3 ARG 3 -10.877 -2.201 1.717
29 HE ARG 3 HE ARG 3 -10.854 0.038 3.052
30 HH11 ARG 3 HH11 ARG 3 -13.306 -2.477 3.227
31 HH12 ARG 3 HH12 ARG 3 -13.694 -2.143 4.885
32 HH21 ARG 3 HH21 ARG 3 -11.379 0.455 5.229
33 HH22 ARG 3 HH22 ARG 3 -12.611 -0.474 6.015
34 H ASP 4 H ASP 4 -9.765 1.208 -0.702
35 HA ASP 4 HA ASP 4 -9.105 3.646 0.814
36 HB2 ASP 4 HB2 ASP 4 -8.055 0.857 1.045
37 HB3 ASP 4 HB3 ASP 4 -7.020 2.209 1.486
38 H THR 5 H THR 5 -8.795 2.216 -2.149
39 HA THR 5 HA THR 5 -6.267 2.590 -3.075
40 HB THR 5 HB THR 5 -8.661 3.548 -4.617
41 HG1 THR 5 HG1 THR 5 -7.963 0.849 -4.709
42 HG21 THR 5 HG21 THR 5 -7.458 2.531 -6.505
43 HG22 THR 5 HG22 THR 5 -6.149 2.068 -5.418
44 HG23 THR 5 HG23 THR 5 -6.489 3.775 -5.715
45 H SER 6 H SER 6 -8.776 5.153 -3.064
46 HA SER 6 HA SER 6 -7.027 7.105 -4.139
47 HB2 SER 6 HB2 SER 6 -9.668 7.468 -2.716
48 HB3 SER 6 HB3 SER 6 -8.854 8.681 -3.706
49 HG SER 6 HG SER 6 -9.894 7.805 -5.299
50 H ARG 7 H ARG 7 -7.732 6.055 -0.921
51 HA ARG 7 HA ARG 7 -6.633 8.286 0.453
52 HB2 ARG 7 HB2 ARG 7 -8.059 6.806 1.668
53 HB3 ARG 7 HB3 ARG 7 -7.093 5.407 1.228
54 HG2 ARG 7 HG2 ARG 7 -5.299 6.133 2.652
55 HG3 ARG 7 HG3 ARG 7 -6.140 7.645 3.001
56 HD2 ARG 7 HD2 ARG 7 -7.253 4.923 3.649
57 HD3 ARG 7 HD3 ARG 7 -6.318 5.891 4.787
58 HE ARG 7 HE ARG 7 -8.140 7.636 4.332
59 HH11 ARG 7 HH11 ARG 7 -8.710 4.173 4.326
60 HH12 ARG 7 HH12 ARG 7 -10.353 4.330 4.864
61 HH21 ARG 7 HH21 ARG 7 -10.291 7.828 5.045
62 HH22 ARG 7 HH22 ARG 7 -11.248 6.401 5.281
63 H CYS 8 H CYS 8 -5.335 5.236 -0.746
64 HA CYS 8 HA CYS 8 -2.746 5.554 0.385
65 HB2 CYS 8 HB2 CYS 8 -3.530 3.361 -0.173
66 HB3 CYS 8 HB3 CYS 8 -3.806 3.827 -1.849
67 H VAL 9 H VAL 9 -4.102 6.202 -2.832
68 HA VAL 9 HA VAL 9 -1.532 6.984 -3.879
69 HB VAL 9 HB VAL 9 -3.272 5.906 -5.296
70 HG11 VAL 9 HG11 VAL 9 -5.149 7.214 -6.132
71 HG12 VAL 9 HG12 VAL 9 -4.717 8.531 -5.038
72 HG13 VAL 9 HG13 VAL 9 -5.235 6.975 -4.388
73 HG21 VAL 9 HG21 VAL 9 -1.489 7.130 -6.364
74 HG22 VAL 9 HG22 VAL 9 -2.381 8.640 -6.184
75 HG23 VAL 9 HG23 VAL 9 -2.992 7.377 -7.255
76 H GLY 10 H GLY 10 -3.918 8.483 -2.047
77 HA2 GLY 10 HA2 GLY 10 -3.508 11.187 -2.763
78 HA3 GLY 10 HA3 GLY 10 -4.027 10.611 -1.182
79 H TYR 11 H TYR 11 -1.589 8.868 -1.087
80 HA TYR 11 HA TYR 11 0.300 10.897 -0.185
81 HB2 TYR 11 HB2 TYR 11 0.187 7.902 0.206
82 HB3 TYR 11 HB3 TYR 11 1.537 8.890 0.753
83 HD1 TYR 11 HD1 TYR 11 1.377 10.201 2.732
84 HD2 TYR 11 HD2 TYR 11 -2.061 8.204 1.230
85 HE1 TYR 11 HE1 TYR 11 0.204 10.659 4.836
86 HE2 TYR 11 HE2 TYR 11 -3.250 8.657 3.333
87 HH TYR 11 HH TYR 11 -2.741 9.151 5.668
88 H HIS 12 H HIS 12 1.911 8.050 -0.965
89 HA HIS 12 HA HIS 12 2.501 8.646 -3.722
90 HB2 HIS 12 HB2 HIS 12 4.731 8.969 -1.687
91 HB3 HIS 12 HB3 HIS 12 4.900 9.057 -3.432
92 HD1 HIS 12 HD1 HIS 12 4.083 11.259 -4.588
93 HD2 HIS 12 HD2 HIS 12 3.827 11.260 -0.438
94 HE1 HIS 12 HE1 HIS 12 3.744 13.663 -3.933
95 HE2 HIS 12 HE2 HIS 12 3.654 13.651 -1.415
96 H GLY 13 H GLY 13 2.318 6.554 -4.388
97 HA2 GLY 13 HA2 GLY 13 4.256 4.661 -4.079
98 HA3 GLY 13 HA3 GLY 13 3.179 4.374 -2.719
99 H TYR 14 H TYR 14 2.211 2.488 -3.275
100 HA TYR 14 HA TYR 14 0.266 2.518 -5.349
101 HB2 TYR 14 HB2 TYR 14 1.184 0.761 -6.780
102 HB3 TYR 14 HB3 TYR 14 2.192 2.193 -6.799
103 HD1 TYR 14 HD1 TYR 14 2.086 -1.345 -6.282
104 HD2 TYR 14 HD2 TYR 14 4.326 2.158 -5.375
105 HE1 TYR 14 HE1 TYR 14 4.051 -2.739 -5.790
106 HE2 TYR 14 HE2 TYR 14 6.293 0.774 -4.874
107 HH TYR 14 HH TYR 14 6.485 -2.514 -5.714
108 H CYS 15 H CYS 15 -0.528 0.170 -5.755
109 HA CYS 15 HA CYS 15 -0.963 -0.978 -3.085
110 HB2 CYS 15 HB2 CYS 15 -2.628 -1.247 -5.599
111 HB3 CYS 15 HB3 CYS 15 -3.063 -1.826 -3.995
112 H ILE 16 H ILE 16 -0.493 -3.104 -2.670
113 HA ILE 16 HA ILE 16 0.206 -4.807 -4.970
114 HB ILE 16 HB ILE 16 2.042 -5.777 -3.869
115 HG12 ILE 16 HG12 ILE 16 1.324 -4.215 -1.387
116 HG13 ILE 16 HG13 ILE 16 0.995 -5.925 -1.627
117 HG21 ILE 16 HG21 ILE 16 2.530 -3.604 -4.837
118 HG22 ILE 16 HG22 ILE 16 3.552 -3.925 -3.435
119 HG23 ILE 16 HG23 ILE 16 2.174 -2.830 -3.294
120 HD11 ILE 16 HD11 ILE 16 3.707 -4.632 -1.492
121 HD12 ILE 16 HD12 ILE 16 3.407 -6.341 -1.809
122 HD13 ILE 16 HD13 ILE 16 2.952 -5.639 -0.256
123 H ARG 17 H ARG 17 -0.398 -6.962 -4.801
124 HA ARG 17 HA ARG 17 -2.162 -7.646 -2.602
125 HB2 ARG 17 HB2 ARG 17 -2.136 -9.933 -3.988
126 HB3 ARG 17 HB3 ARG 17 -3.180 -8.587 -4.395
127 HG2 ARG 17 HG2 ARG 17 -2.246 -9.417 -6.405
128 HG3 ARG 17 HG3 ARG 17 -1.483 -7.871 -6.077
129 HD2 ARG 17 HD2 ARG 17 -0.054 -10.174 -4.970
130 HD3 ARG 17 HD3 ARG 17 -0.179 -10.185 -6.725
131 HE ARG 17 HE ARG 17 1.180 -8.145 -5.093
132 HH11 ARG 17 HH11 ARG 17 0.427 -9.514 -8.229
133 HH12 ARG 17 HH12 ARG 17 1.714 -8.680 -9.041
134 HH21 ARG 17 HH21 ARG 17 2.872 -7.054 -6.159
135 HH22 ARG 17 HH22 ARG 17 3.099 -7.277 -7.862
136 H SER 18 H SER 18 -0.718 -7.634 -0.940
137 HA SER 18 HA SER 18 0.393 -10.061 -0.146
138 HB2 SER 18 HB2 SER 18 2.141 -9.581 -1.840
139 HB3 SER 18 HB3 SER 18 2.452 -8.027 -1.073
140 HG SER 18 HG SER 18 3.830 -9.959 -0.522
141 H LYS 19 H LYS 19 1.489 -9.803 1.982
142 HA LYS 19 HA LYS 19 0.636 -7.305 3.267
143 HB2 LYS 19 HB2 LYS 19 1.335 -9.940 4.565
144 HB3 LYS 19 HB3 LYS 19 0.606 -8.543 5.344
145 HG2 LYS 19 HG2 LYS 19 -0.641 -10.276 3.223
146 HG3 LYS 19 HG3 LYS 19 -1.070 -10.218 4.926
147 HD2 LYS 19 HD2 LYS 19 -1.382 -7.985 2.921
148 HD3 LYS 19 HD3 LYS 19 -2.680 -8.965 3.601
149 HE2 LYS 19 HE2 LYS 19 -2.231 -8.073 5.811
150 HE3 LYS 19 HE3 LYS 19 -0.862 -7.155 5.186
151 HZ1 LYS 19 HZ1 LYS 19 -3.659 -6.763 4.405
152 HZ2 LYS 19 HZ2 LYS 19 -2.394 -5.913 3.832
153 HZ3 LYS 19 HZ3 LYS 19 -2.810 -5.792 5.399
154 H VAL 20 H VAL 20 3.262 -8.330 1.831
155 HA VAL 20 HA VAL 20 5.050 -7.065 3.805
156 HB VAL 20 HB VAL 20 5.845 -9.192 1.801
157 HG11 VAL 20 HG11 VAL 20 7.416 -7.878 4.016
158 HG12 VAL 20 HG12 VAL 20 7.627 -7.601 2.287
159 HG13 VAL 20 HG13 VAL 20 7.991 -9.183 2.977
160 HG21 VAL 20 HG21 VAL 20 4.480 -10.152 3.583
161 HG22 VAL 20 HG22 VAL 20 5.527 -9.411 4.794
162 HG23 VAL 20 HG23 VAL 20 6.161 -10.666 3.730
163 H CYS 21 H CYS 21 5.280 -5.047 3.050
164 HA CYS 21 HA CYS 21 5.305 -4.492 0.220
165 HB2 CYS 21 HB2 CYS 21 5.555 -2.759 2.674
166 HB3 CYS 21 HB3 CYS 21 5.710 -2.116 1.041
167 HA PRO 22 HA PRO 22 9.732 -4.822 -0.237
168 HB2 PRO 22 HB2 PRO 22 9.859 -3.549 -2.649
169 HB3 PRO 22 HB3 PRO 22 9.433 -5.254 -2.459
170 HG2 PRO 22 HG2 PRO 22 7.672 -2.890 -2.905
171 HG3 PRO 22 HG3 PRO 22 7.526 -4.539 -3.534
172 HD2 PRO 22 HD2 PRO 22 6.031 -3.596 -1.471
173 HD3 PRO 22 HD3 PRO 22 6.485 -5.303 -1.638
174 H LYS 23 H LYS 23 11.528 -3.429 -0.091
175 HA LYS 23 HA LYS 23 10.851 -0.804 0.892
176 HB2 LYS 23 HB2 LYS 23 13.171 -0.688 1.597
177 HB3 LYS 23 HB3 LYS 23 12.447 -2.215 2.092
178 HG2 LYS 23 HG2 LYS 23 13.482 -3.185 -0.030
179 HG3 LYS 23 HG3 LYS 23 14.448 -1.706 -0.074
180 HD2 LYS 23 HD2 LYS 23 15.198 -2.177 2.224
181 HD3 LYS 23 HD3 LYS 23 14.295 -3.692 2.172
182 HE2 LYS 23 HE2 LYS 23 16.650 -4.084 1.707
183 HE3 LYS 23 HE3 LYS 23 15.665 -4.448 0.291
184 HZ1 LYS 23 HZ1 LYS 23 17.602 -3.208 -0.316
185 HZ2 LYS 23 HZ2 LYS 23 17.230 -2.003 0.707
186 HZ3 LYS 23 HZ3 LYS 23 16.284 -2.290 -0.583
187 HA PRO 24 HA PRO 24 11.748 0.793 1.387
188 HB2 PRO 24 HB2 PRO 24 11.894 3.439 1.134
189 HB3 PRO 24 HB3 PRO 24 13.351 2.443 1.082
190 HG2 PRO 24 HG2 PRO 24 11.866 3.754 -1.147
191 HG3 PRO 24 HG3 PRO 24 13.610 3.510 -0.952
192 HD2 PRO 24 HD2 PRO 24 11.860 1.918 -2.480
193 HD3 PRO 24 HD3 PRO 24 13.522 1.513 -2.017
194 H PHE 25 H PHE 25 9.652 0.331 1.759
195 HA PHE 25 HA PHE 25 7.691 2.401 1.286
196 HB2 PHE 25 HB2 PHE 25 7.426 -0.361 0.110
197 HB3 PHE 25 HB3 PHE 25 6.015 0.598 0.512
198 HD1 PHE 25 HD1 PHE 25 8.675 0.058 -1.885
199 HD2 PHE 25 HD2 PHE 25 5.614 2.729 -0.640
200 HE1 PHE 25 HE1 PHE 25 8.769 1.187 -4.071
201 HE2 PHE 25 HE2 PHE 25 5.693 3.863 -2.810
202 HZ PHE 25 HZ PHE 25 7.279 3.094 -4.536
203 H ALA 26 H ALA 26 5.833 2.142 2.625
204 HA ALA 26 HA ALA 26 6.257 0.262 4.858
205 HB1 ALA 26 HB1 ALA 26 4.882 2.950 4.886
206 HB2 ALA 26 HB2 ALA 26 6.481 2.593 5.540
207 HB3 ALA 26 HB3 ALA 26 5.048 1.865 6.267
208 H ALA 27 H ALA 27 4.518 -0.918 5.612
209 HA ALA 27 HA ALA 27 2.385 -1.416 3.781
210 HB1 ALA 27 HB1 ALA 27 3.308 -3.216 5.144
211 HB2 ALA 27 HB2 ALA 27 1.587 -3.009 5.470
212 HB3 ALA 27 HB3 ALA 27 2.780 -2.391 6.611
213 H PHE 28 H PHE 28 1.253 0.463 3.544
214 HA PHE 28 HA PHE 28 0.213 1.875 5.851
215 HB2 PHE 28 HB2 PHE 28 1.093 3.056 3.841
216 HB3 PHE 28 HB3 PHE 28 -0.208 2.366 2.888
217 HD1 PHE 28 HD1 PHE 28 -2.618 2.959 3.616
218 HD2 PHE 28 HD2 PHE 28 0.840 5.102 4.874
219 HE1 PHE 28 HE1 PHE 28 -4.023 4.902 4.146
220 HE2 PHE 28 HE2 PHE 28 -0.567 7.045 5.421
221 HZ PHE 28 HZ PHE 28 -3.000 6.946 5.051
222 H GLY 29 H GLY 29 -1.169 0.309 6.742
223 HA2 GLY 29 HA2 GLY 29 -3.168 -0.735 7.107
224 HA3 GLY 29 HA3 GLY 29 -3.837 0.642 6.250
225 H THR 30 H THR 30 -4.838 0.300 4.417
226 HA THR 30 HA THR 30 -4.363 -2.165 2.908
227 HB THR 30 HB THR 30 -6.879 -2.390 2.665
228 HG1 THR 30 HG1 THR 30 -6.982 -0.168 3.935
229 HG21 THR 30 HG21 THR 30 -5.527 -3.923 3.989
230 HG22 THR 30 HG22 THR 30 -7.082 -3.635 4.779
231 HG23 THR 30 HG23 THR 30 -5.624 -2.836 5.375
232 H CYS 31 H CYS 31 -5.085 -2.104 0.797
233 HA CYS 31 HA CYS 31 -5.626 0.557 -0.333
234 HB2 CYS 31 HB2 CYS 31 -3.737 -1.474 -1.052
235 HB3 CYS 31 HB3 CYS 31 -4.879 -1.255 -2.370
236 H SER 32 H SER 32 -6.512 -0.441 -2.859
237 HA SER 32 HA SER 32 -9.110 -0.886 -2.817
238 HB2 SER 32 HB2 SER 32 -7.352 -2.704 -4.431
239 HB3 SER 32 HB3 SER 32 -8.900 -1.999 -4.887
240 HG SER 32 HG SER 32 -6.731 -1.039 -5.645
241 H TRP 33 H TRP 33 -10.187 -1.977 -1.301
242 HA TRP 33 HA TRP 33 -10.995 -3.612 0.026
243 HB2 TRP 33 HB2 TRP 33 -9.850 -5.501 -2.037
244 HB3 TRP 33 HB3 TRP 33 -11.182 -5.818 -0.929
245 HD1 TRP 33 HD1 TRP 33 -10.784 -5.149 -4.408
246 HE1 TRP 33 HE1 TRP 33 -12.824 -3.965 -5.443
247 HE3 TRP 33 HE3 TRP 33 -13.048 -3.523 -0.116
248 HZ2 TRP 33 HZ2 TRP 33 -15.079 -2.526 -4.553
249 HZ3 TRP 33 HZ3 TRP 33 -15.131 -2.228 -0.303
250 HH2 TRP 33 HH2 TRP 33 -16.125 -1.750 -2.485
251 H ARG 34 H ARG 34 -10.387 -5.602 1.374
252 HA ARG 34 HA ARG 34 -7.784 -5.118 2.509
253 HB2 ARG 34 HB2 ARG 34 -8.380 -6.901 4.126
254 HB3 ARG 34 HB3 ARG 34 -9.586 -5.628 4.026
255 HG2 ARG 34 HG2 ARG 34 -11.055 -7.016 2.768
256 HG3 ARG 34 HG3 ARG 34 -9.811 -8.252 2.574
257 HD2 ARG 34 HD2 ARG 34 -11.495 -8.810 4.305
258 HD3 ARG 34 HD3 ARG 34 -9.847 -8.735 4.925
259 HE ARG 34 HE ARG 34 -11.256 -6.258 5.218
260 HH11 ARG 34 HH11 ARG 34 -10.772 -9.421 6.631
261 HH12 ARG 34 HH12 ARG 34 -11.156 -8.901 8.239
262 HH21 ARG 34 HH21 ARG 34 -11.768 -5.574 7.334
263 HH22 ARG 34 HH22 ARG 34 -11.732 -6.719 8.638
264 H GLN 35 H GLN 35 -7.948 -6.119 -0.198
265 HA GLN 35 HA GLN 35 -6.692 -8.765 -0.012
266 HB2 GLN 35 HB2 GLN 35 -7.650 -7.294 -2.472
267 HB3 GLN 35 HB3 GLN 35 -7.209 -8.993 -2.353
268 HG2 GLN 35 HG2 GLN 35 -9.497 -7.778 -0.839
269 HG3 GLN 35 HG3 GLN 35 -9.663 -8.494 -2.434
270 HE21 GLN 35 HE21 GLN 35 -9.062 -9.092 0.923
271 HE22 GLN 35 HE22 GLN 35 -9.277 -10.805 0.872
272 H LYS 36 H LYS 36 -6.234 -5.438 -0.845
273 HA LYS 36 HA LYS 36 -3.446 -6.018 -1.595
274 HB2 LYS 36 HB2 LYS 36 -4.861 -3.507 -2.426
275 HB3 LYS 36 HB3 LYS 36 -3.444 -4.244 -3.120
276 HG2 LYS 36 HG2 LYS 36 -6.069 -5.652 -3.262
277 HG3 LYS 36 HG3 LYS 36 -5.699 -4.339 -4.382
278 HD2 LYS 36 HD2 LYS 36 -3.854 -6.670 -3.949
279 HD3 LYS 36 HD3 LYS 36 -5.134 -6.679 -5.166
280 HE2 LYS 36 HE2 LYS 36 -3.135 -4.451 -5.030
281 HE3 LYS 36 HE3 LYS 36 -2.769 -5.947 -5.866
282 HZ1 LYS 36 HZ1 LYS 36 -3.690 -4.242 -7.316
283 HZ2 LYS 36 HZ2 LYS 36 -5.074 -4.240 -6.463
284 HZ3 LYS 36 HZ3 LYS 36 -4.634 -5.570 -7.285
285 H THR 37 H THR 37 -1.889 -4.932 -0.512
286 HA THR 37 HA THR 37 -2.744 -3.183 1.688
287 HB THR 37 HB THR 37 -0.020 -4.420 1.167
288 HG1 THR 37 HG1 THR 37 -0.874 -6.172 1.947
289 HG21 THR 37 HG21 THR 37 0.044 -2.414 2.590
290 HG22 THR 37 HG22 THR 37 0.446 -3.870 3.499
291 HG23 THR 37 HG23 THR 37 -1.154 -3.142 3.663
292 H CYS 38 H CYS 38 -1.908 -1.061 1.852
293 HA CYS 38 HA CYS 38 -1.012 0.078 -0.645
294 HB2 CYS 38 HB2 CYS 38 -2.590 1.397 0.565
295 HB3 CYS 38 HB3 CYS 38 -1.649 1.275 2.049
296 H CYS 39 H CYS 39 1.013 0.620 -1.155
297 HA CYS 39 HA CYS 39 3.040 0.442 0.969
298 HB2 CYS 39 HB2 CYS 39 3.351 -0.213 -1.969
299 HB3 CYS 39 HB3 CYS 39 4.630 -0.290 -0.758
300 H VAL 40 H VAL 40 3.697 2.388 1.492
301 HA VAL 40 HA VAL 40 4.274 4.308 -0.643
302 HB VAL 40 HB VAL 40 3.454 6.129 0.977
303 HG11 VAL 40 HG11 VAL 40 1.221 6.028 0.088
304 HG12 VAL 40 HG12 VAL 40 1.379 4.299 -0.219
305 HG13 VAL 40 HG13 VAL 40 2.347 5.449 -1.144
306 HG21 VAL 40 HG21 VAL 40 3.205 4.690 2.934
307 HG22 VAL 40 HG22 VAL 40 1.960 3.767 2.088
308 HG23 VAL 40 HG23 VAL 40 1.679 5.461 2.500
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 -13.910 4.424 -6.538
2 H2 LEU 1 H2 LEU 1 -14.220 3.231 -7.593
3 H3 LEU 1 H3 LEU 1 -13.219 4.435 -8.012
4 HA LEU 1 HA LEU 1 -11.972 2.470 -7.519
5 HB2 LEU 1 HB2 LEU 1 -11.691 4.605 -5.394
6 HB3 LEU 1 HB3 LEU 1 -10.484 3.398 -5.782
7 HG LEU 1 HG LEU 1 -10.635 4.475 -8.184
8 HD11 LEU 1 HD11 LEU 1 -12.495 5.972 -7.610
9 HD12 LEU 1 HD12 LEU 1 -11.058 6.853 -8.123
10 HD13 LEU 1 HD13 LEU 1 -11.471 6.763 -6.412
11 HD21 LEU 1 HD21 LEU 1 -8.791 5.954 -7.578
12 HD22 LEU 1 HD22 LEU 1 -8.638 4.384 -6.791
13 HD23 LEU 1 HD23 LEU 1 -9.205 5.779 -5.873
14 HA PRO 2 HA PRO 2 -13.162 -0.687 -4.674
15 HB2 PRO 2 HB2 PRO 2 -10.515 -0.045 -3.444
16 HB3 PRO 2 HB3 PRO 2 -11.224 -1.617 -3.788
17 HG2 PRO 2 HG2 PRO 2 -9.382 -0.453 -5.383
18 HG3 PRO 2 HG3 PRO 2 -10.642 -1.536 -6.006
19 HD2 PRO 2 HD2 PRO 2 -10.316 1.335 -6.403
20 HD3 PRO 2 HD3 PRO 2 -11.419 0.215 -7.223
21 H ARG 3 H ARG 3 -11.037 1.080 -2.489
22 HA ARG 3 HA ARG 3 -13.117 2.495 -1.186
23 HB2 ARG 3 HB2 ARG 3 -13.002 1.295 0.996
24 HB3 ARG 3 HB3 ARG 3 -13.750 0.384 -0.291
25 HG2 ARG 3 HG2 ARG 3 -11.864 -1.031 -0.515
26 HG3 ARG 3 HG3 ARG 3 -10.896 -0.003 0.544
27 HD2 ARG 3 HD2 ARG 3 -13.412 -1.379 1.451
28 HD3 ARG 3 HD3 ARG 3 -11.814 -2.109 1.596
29 HE ARG 3 HE ARG 3 -11.343 0.162 2.826
30 HH11 ARG 3 HH11 ARG 3 -14.177 -1.895 3.093
31 HH12 ARG 3 HH12 ARG 3 -14.530 -1.404 4.717
32 HH21 ARG 3 HH21 ARG 3 -11.813 0.806 4.947
33 HH22 ARG 3 HH22 ARG 3 -13.181 0.134 5.778
34 H ASP 4 H ASP 4 -9.889 1.078 -0.644
35 HA ASP 4 HA ASP 4 -9.162 3.508 0.828
36 HB2 ASP 4 HB2 ASP 4 -7.999 0.735 0.810
37 HB3 ASP 4 HB3 ASP 4 -7.132 2.100 1.505
38 H THR 5 H THR 5 -8.726 2.069 -2.188
39 HA THR 5 HA THR 5 -6.197 2.594 -3.020
40 HB THR 5 HB THR 5 -8.562 3.433 -4.676
41 HG1 THR 5 HG1 THR 5 -7.728 0.762 -4.712
42 HG21 THR 5 HG21 THR 5 -7.220 2.497 -6.502
43 HG22 THR 5 HG22 THR 5 -5.955 2.059 -5.353
44 HG23 THR 5 HG23 THR 5 -6.331 3.762 -5.643
45 H SER 6 H SER 6 -8.840 5.000 -2.985
46 HA SER 6 HA SER 6 -7.381 7.150 -3.998
47 HB2 SER 6 HB2 SER 6 -9.691 7.265 -2.042
48 HB3 SER 6 HB3 SER 6 -9.181 8.545 -3.142
49 HG SER 6 HG SER 6 -9.971 7.455 -4.826
50 H ARG 7 H ARG 7 -7.824 6.007 -0.700
51 HA ARG 7 HA ARG 7 -6.616 8.173 0.616
52 HB2 ARG 7 HB2 ARG 7 -7.997 6.538 1.785
53 HB3 ARG 7 HB3 ARG 7 -6.835 5.271 1.427
54 HG2 ARG 7 HG2 ARG 7 -5.192 6.311 2.840
55 HG3 ARG 7 HG3 ARG 7 -6.258 7.691 3.121
56 HD2 ARG 7 HD2 ARG 7 -6.819 4.834 3.913
57 HD3 ARG 7 HD3 ARG 7 -6.297 6.121 5.001
58 HE ARG 7 HE ARG 7 -8.589 7.035 3.753
59 HH11 ARG 7 HH11 ARG 7 -7.714 4.385 5.873
60 HH12 ARG 7 HH12 ARG 7 -9.293 4.277 6.584
61 HH21 ARG 7 HH21 ARG 7 -10.657 6.896 4.696
62 HH22 ARG 7 HH22 ARG 7 -10.960 5.701 5.921
63 H CYS 8 H CYS 8 -5.325 5.142 -0.661
64 HA CYS 8 HA CYS 8 -2.690 5.498 0.314
65 HB2 CYS 8 HB2 CYS 8 -3.488 3.308 -0.296
66 HB3 CYS 8 HB3 CYS 8 -3.789 3.830 -1.951
67 H VAL 9 H VAL 9 -4.237 6.281 -2.774
68 HA VAL 9 HA VAL 9 -1.733 7.038 -3.974
69 HB VAL 9 HB VAL 9 -3.594 6.039 -5.291
70 HG11 VAL 9 HG11 VAL 9 -4.954 8.695 -4.915
71 HG12 VAL 9 HG12 VAL 9 -5.461 7.157 -4.216
72 HG13 VAL 9 HG13 VAL 9 -5.494 7.382 -5.964
73 HG21 VAL 9 HG21 VAL 9 -3.388 7.519 -7.238
74 HG22 VAL 9 HG22 VAL 9 -1.841 7.262 -6.435
75 HG23 VAL 9 HG23 VAL 9 -2.715 8.776 -6.199
76 H GLY 10 H GLY 10 -4.114 8.614 -2.084
77 HA2 GLY 10 HA2 GLY 10 -3.603 11.296 -2.799
78 HA3 GLY 10 HA3 GLY 10 -4.165 10.749 -1.225
79 H TYR 11 H TYR 11 -1.765 8.952 -1.064
80 HA TYR 11 HA TYR 11 0.162 10.926 -0.139
81 HB2 TYR 11 HB2 TYR 11 0.056 7.909 0.111
82 HB3 TYR 11 HB3 TYR 11 1.393 8.886 0.709
83 HD1 TYR 11 HD1 TYR 11 -2.258 8.329 1.071
84 HD2 TYR 11 HD2 TYR 11 1.280 9.908 2.817
85 HE1 TYR 11 HE1 TYR 11 -3.461 8.670 3.181
86 HE2 TYR 11 HE2 TYR 11 0.084 10.256 4.937
87 HH TYR 11 HH TYR 11 -2.986 8.907 5.558
88 H HIS 12 H HIS 12 1.730 8.112 -1.042
89 HA HIS 12 HA HIS 12 2.243 8.701 -3.805
90 HB2 HIS 12 HB2 HIS 12 4.613 8.959 -1.937
91 HB3 HIS 12 HB3 HIS 12 4.592 9.215 -3.670
92 HD1 HIS 12 HD1 HIS 12 3.417 11.477 -4.485
93 HD2 HIS 12 HD2 HIS 12 4.145 11.149 -0.405
94 HE1 HIS 12 HE1 HIS 12 3.226 13.812 -3.574
95 HE2 HIS 12 HE2 HIS 12 3.694 13.597 -1.108
96 H GLY 13 H GLY 13 2.056 6.583 -4.410
97 HA2 GLY 13 HA2 GLY 13 4.032 4.711 -3.964
98 HA3 GLY 13 HA3 GLY 13 2.852 4.449 -2.690
99 H TYR 14 H TYR 14 1.907 2.575 -3.274
100 HA TYR 14 HA TYR 14 0.122 2.539 -5.470
101 HB2 TYR 14 HB2 TYR 14 1.202 0.774 -6.818
102 HB3 TYR 14 HB3 TYR 14 2.103 2.277 -6.834
103 HD1 TYR 14 HD1 TYR 14 4.102 2.428 -5.154
104 HD2 TYR 14 HD2 TYR 14 2.282 -1.220 -6.367
105 HE1 TYR 14 HE1 TYR 14 6.131 1.203 -4.503
106 HE2 TYR 14 HE2 TYR 14 4.304 -2.449 -5.716
107 HH TYR 14 HH TYR 14 6.817 -1.020 -3.885
108 H CYS 15 H CYS 15 -0.653 0.235 -5.892
109 HA CYS 15 HA CYS 15 -1.079 -0.996 -3.253
110 HB2 CYS 15 HB2 CYS 15 -2.843 -0.974 -5.715
111 HB3 CYS 15 HB3 CYS 15 -3.237 -1.756 -4.189
112 H ILE 16 H ILE 16 -0.522 -3.085 -2.951
113 HA ILE 16 HA ILE 16 0.061 -4.698 -5.349
114 HB ILE 16 HB ILE 16 1.890 -5.768 -4.265
115 HG12 ILE 16 HG12 ILE 16 1.297 -4.117 -1.809
116 HG13 ILE 16 HG13 ILE 16 0.856 -5.806 -1.995
117 HG21 ILE 16 HG21 ILE 16 2.436 -3.648 -5.299
118 HG22 ILE 16 HG22 ILE 16 3.443 -3.917 -3.875
119 HG23 ILE 16 HG23 ILE 16 2.077 -2.803 -3.793
120 HD11 ILE 16 HD11 ILE 16 2.848 -5.628 -0.676
121 HD12 ILE 16 HD12 ILE 16 3.641 -4.675 -1.931
122 HD13 ILE 16 HD13 ILE 16 3.241 -6.366 -2.230
123 H ARG 17 H ARG 17 -0.371 -6.912 -5.184
124 HA ARG 17 HA ARG 17 -2.295 -7.671 -3.167
125 HB2 ARG 17 HB2 ARG 17 -1.952 -9.962 -4.518
126 HB3 ARG 17 HB3 ARG 17 -3.032 -8.690 -5.053
127 HG2 ARG 17 HG2 ARG 17 -1.774 -9.523 -6.920
128 HG3 ARG 17 HG3 ARG 17 -1.274 -7.873 -6.580
129 HD2 ARG 17 HD2 ARG 17 0.305 -9.962 -5.241
130 HD3 ARG 17 HD3 ARG 17 0.416 -9.955 -6.998
131 HE ARG 17 HE ARG 17 0.898 -7.399 -6.511
132 HH11 ARG 17 HH11 ARG 17 2.077 -10.210 -4.783
133 HH12 ARG 17 HH12 ARG 17 3.605 -9.488 -4.392
134 HH21 ARG 17 HH21 ARG 17 2.923 -6.448 -5.994
135 HH22 ARG 17 HH22 ARG 17 4.088 -7.355 -5.081
136 H SER 18 H SER 18 -0.959 -7.507 -1.380
137 HA SER 18 HA SER 18 0.082 -9.877 -0.368
138 HB2 SER 18 HB2 SER 18 1.963 -9.441 -1.959
139 HB3 SER 18 HB3 SER 18 2.226 -7.881 -1.183
140 HG SER 18 HG SER 18 2.751 -10.470 -0.234
141 H LYS 19 H LYS 19 1.248 -9.348 1.801
142 HA LYS 19 HA LYS 19 0.374 -6.701 2.752
143 HB2 LYS 19 HB2 LYS 19 0.485 -9.276 4.334
144 HB3 LYS 19 HB3 LYS 19 0.086 -7.696 4.996
145 HG2 LYS 19 HG2 LYS 19 -1.782 -7.674 3.216
146 HG3 LYS 19 HG3 LYS 19 -1.498 -9.413 3.129
147 HD2 LYS 19 HD2 LYS 19 -3.278 -9.033 4.677
148 HD3 LYS 19 HD3 LYS 19 -1.854 -9.516 5.599
149 HE2 LYS 19 HE2 LYS 19 -3.052 -7.646 6.653
150 HE3 LYS 19 HE3 LYS 19 -1.413 -7.204 6.187
151 HZ1 LYS 19 HZ1 LYS 19 -3.846 -6.542 4.680
152 HZ2 LYS 19 HZ2 LYS 19 -2.334 -6.119 4.254
153 HZ3 LYS 19 HZ3 LYS 19 -2.995 -5.507 5.606
154 H VAL 20 H VAL 20 2.949 -8.189 1.740
155 HA VAL 20 HA VAL 20 4.722 -6.967 3.758
156 HB VAL 20 HB VAL 20 5.415 -9.154 1.779
157 HG11 VAL 20 HG11 VAL 20 7.302 -7.680 2.283
158 HG12 VAL 20 HG12 VAL 20 7.542 -9.285 2.976
159 HG13 VAL 20 HG13 VAL 20 7.050 -7.943 4.008
160 HG21 VAL 20 HG21 VAL 20 5.022 -9.298 4.767
161 HG22 VAL 20 HG22 VAL 20 5.595 -10.613 3.742
162 HG23 VAL 20 HG23 VAL 20 3.958 -9.989 3.542
163 H CYS 21 H CYS 21 5.184 -4.982 3.044
164 HA CYS 21 HA CYS 21 5.221 -4.413 0.216
165 HB2 CYS 21 HB2 CYS 21 5.431 -2.718 2.687
166 HB3 CYS 21 HB3 CYS 21 5.720 -2.051 1.083
167 HA PRO 22 HA PRO 22 9.610 -4.857 -0.331
168 HB2 PRO 22 HB2 PRO 22 9.721 -3.374 -2.640
169 HB3 PRO 22 HB3 PRO 22 9.288 -5.085 -2.575
170 HG2 PRO 22 HG2 PRO 22 7.527 -2.687 -2.778
171 HG3 PRO 22 HG3 PRO 22 7.365 -4.273 -3.549
172 HD2 PRO 22 HD2 PRO 22 5.895 -3.557 -1.408
173 HD3 PRO 22 HD3 PRO 22 6.416 -5.231 -1.686
174 H LYS 23 H LYS 23 11.470 -3.504 -0.287
175 HA LYS 23 HA LYS 23 10.849 -0.962 0.999
176 HB2 LYS 23 HB2 LYS 23 13.368 -2.621 0.988
177 HB3 LYS 23 HB3 LYS 23 13.252 -1.034 1.737
178 HG2 LYS 23 HG2 LYS 23 12.968 -2.577 3.479
179 HG3 LYS 23 HG3 LYS 23 11.349 -1.979 3.117
180 HD2 LYS 23 HD2 LYS 23 10.967 -3.983 1.721
181 HD3 LYS 23 HD3 LYS 23 12.549 -4.591 2.207
182 HE2 LYS 23 HE2 LYS 23 10.898 -5.650 3.570
183 HE3 LYS 23 HE3 LYS 23 11.780 -4.502 4.574
184 HZ1 LYS 23 HZ1 LYS 23 9.959 -2.981 4.343
185 HZ2 LYS 23 HZ2 LYS 23 9.408 -4.391 4.930
186 HZ3 LYS 23 HZ3 LYS 23 9.148 -4.008 3.369
187 HA PRO 24 HA PRO 24 11.793 0.554 1.682
188 HB2 PRO 24 HB2 PRO 24 12.097 3.202 1.595
189 HB3 PRO 24 HB3 PRO 24 13.496 2.124 1.611
190 HG2 PRO 24 HG2 PRO 24 12.298 3.646 -0.650
191 HG3 PRO 24 HG3 PRO 24 13.997 3.260 -0.330
192 HD2 PRO 24 HD2 PRO 24 12.261 1.893 -2.079
193 HD3 PRO 24 HD3 PRO 24 13.858 1.352 -1.535
194 H PHE 25 H PHE 25 9.683 0.235 1.940
195 HA PHE 25 HA PHE 25 7.846 2.398 1.454
196 HB2 PHE 25 HB2 PHE 25 7.522 -0.275 0.103
197 HB3 PHE 25 HB3 PHE 25 6.133 0.711 0.507
198 HD1 PHE 25 HD1 PHE 25 8.913 0.259 -1.793
199 HD2 PHE 25 HD2 PHE 25 5.807 2.881 -0.555
200 HE1 PHE 25 HE1 PHE 25 9.127 1.508 -3.904
201 HE2 PHE 25 HE2 PHE 25 6.000 4.138 -2.650
202 HZ PHE 25 HZ PHE 25 7.673 3.453 -4.338
203 H ALA 26 H ALA 26 5.976 2.195 2.740
204 HA ALA 26 HA ALA 26 6.280 0.243 4.925
205 HB1 ALA 26 HB1 ALA 26 6.443 2.592 5.611
206 HB2 ALA 26 HB2 ALA 26 5.019 1.818 6.304
207 HB3 ALA 26 HB3 ALA 26 4.848 2.901 4.923
208 H ALA 27 H ALA 27 4.535 -0.985 5.574
209 HA ALA 27 HA ALA 27 2.462 -1.421 3.653
210 HB1 ALA 27 HB1 ALA 27 2.807 -2.510 6.447
211 HB2 ALA 27 HB2 ALA 27 3.345 -3.275 4.952
212 HB3 ALA 27 HB3 ALA 27 1.623 -3.074 5.270
213 H PHE 28 H PHE 28 1.346 0.472 3.472
214 HA PHE 28 HA PHE 28 0.326 1.851 5.792
215 HB2 PHE 28 HB2 PHE 28 1.157 3.069 3.808
216 HB3 PHE 28 HB3 PHE 28 -0.112 2.350 2.832
217 HD1 PHE 28 HD1 PHE 28 -2.547 2.875 3.530
218 HD2 PHE 28 HD2 PHE 28 0.834 5.096 4.853
219 HE1 PHE 28 HE1 PHE 28 -4.010 4.777 4.058
220 HE2 PHE 28 HE2 PHE 28 -0.627 6.996 5.394
221 HZ PHE 28 HZ PHE 28 -3.052 6.838 4.993
222 H GLY 29 H GLY 29 -1.102 0.432 6.755
223 HA2 GLY 29 HA2 GLY 29 -3.131 -0.526 7.176
224 HA3 GLY 29 HA3 GLY 29 -3.758 0.806 6.221
225 H THR 30 H THR 30 -4.721 0.384 4.378
226 HA THR 30 HA THR 30 -4.217 -2.122 2.981
227 HB THR 30 HB THR 30 -6.743 -2.398 2.725
228 HG1 THR 30 HG1 THR 30 -7.830 -0.834 3.677
229 HG21 THR 30 HG21 THR 30 -6.912 -3.647 4.848
230 HG22 THR 30 HG22 THR 30 -5.438 -2.852 5.410
231 HG23 THR 30 HG23 THR 30 -5.381 -3.935 4.018
232 H CYS 31 H CYS 31 -4.982 -2.150 0.875
233 HA CYS 31 HA CYS 31 -5.500 0.471 -0.347
234 HB2 CYS 31 HB2 CYS 31 -3.824 -1.801 -1.101
235 HB3 CYS 31 HB3 CYS 31 -4.877 -1.263 -2.400
236 H SER 32 H SER 32 -6.426 -0.560 -2.804
237 HA SER 32 HA SER 32 -9.013 -0.957 -2.832
238 HB2 SER 32 HB2 SER 32 -7.228 -2.894 -4.266
239 HB3 SER 32 HB3 SER 32 -8.754 -2.217 -4.820
240 HG SER 32 HG SER 32 -6.735 -1.277 -5.702
241 H TRP 33 H TRP 33 -10.205 -1.945 -1.338
242 HA TRP 33 HA TRP 33 -11.068 -3.441 0.109
243 HB2 TRP 33 HB2 TRP 33 -9.933 -5.511 -1.779
244 HB3 TRP 33 HB3 TRP 33 -11.268 -5.729 -0.650
245 HD1 TRP 33 HD1 TRP 33 -10.854 -5.354 -4.158
246 HE1 TRP 33 HE1 TRP 33 -12.875 -4.223 -5.292
247 HE3 TRP 33 HE3 TRP 33 -13.118 -3.362 -0.023
248 HZ2 TRP 33 HZ2 TRP 33 -15.120 -2.693 -4.533
249 HZ3 TRP 33 HZ3 TRP 33 -15.184 -2.066 -0.317
250 HH2 TRP 33 HH2 TRP 33 -16.164 -1.747 -2.534
251 H ARG 34 H ARG 34 -10.554 -5.339 1.600
252 HA ARG 34 HA ARG 34 -8.028 -4.771 2.839
253 HB2 ARG 34 HB2 ARG 34 -8.739 -6.331 4.579
254 HB3 ARG 34 HB3 ARG 34 -10.021 -5.193 4.192
255 HG2 ARG 34 HG2 ARG 34 -11.111 -6.917 2.822
256 HG3 ARG 34 HG3 ARG 34 -9.841 -8.056 3.273
257 HD2 ARG 34 HD2 ARG 34 -11.769 -6.686 5.144
258 HD3 ARG 34 HD3 ARG 34 -11.808 -8.382 4.664
259 HE ARG 34 HE ARG 34 -9.376 -8.225 5.721
260 HH11 ARG 34 HH11 ARG 34 -12.456 -7.065 6.905
261 HH12 ARG 34 HH12 ARG 34 -11.990 -7.134 8.573
262 HH21 ARG 34 HH21 ARG 34 -8.758 -8.335 7.914
263 HH22 ARG 34 HH22 ARG 34 -9.886 -7.880 9.151
264 H GLN 35 H GLN 35 -8.029 -5.996 0.193
265 HA GLN 35 HA GLN 35 -6.797 -8.611 0.679
266 HB2 GLN 35 HB2 GLN 35 -7.634 -7.379 -1.950
267 HB3 GLN 35 HB3 GLN 35 -7.218 -9.061 -1.644
268 HG2 GLN 35 HG2 GLN 35 -9.555 -7.677 -0.365
269 HG3 GLN 35 HG3 GLN 35 -9.660 -8.567 -1.876
270 HE21 GLN 35 HE21 GLN 35 -9.160 -8.790 1.549
271 HE22 GLN 35 HE22 GLN 35 -9.424 -10.490 1.685
272 H LYS 36 H LYS 36 -6.316 -5.465 -0.870
273 HA LYS 36 HA LYS 36 -3.510 -6.186 -1.373
274 HB2 LYS 36 HB2 LYS 36 -4.813 -3.687 -2.431
275 HB3 LYS 36 HB3 LYS 36 -3.424 -4.550 -3.057
276 HG2 LYS 36 HG2 LYS 36 -4.984 -6.411 -3.682
277 HG3 LYS 36 HG3 LYS 36 -6.319 -5.336 -3.253
278 HD2 LYS 36 HD2 LYS 36 -5.955 -5.244 -5.635
279 HD3 LYS 36 HD3 LYS 36 -5.493 -3.704 -4.913
280 HE2 LYS 36 HE2 LYS 36 -3.161 -4.274 -5.056
281 HE3 LYS 36 HE3 LYS 36 -3.548 -5.907 -5.600
282 HZ1 LYS 36 HZ1 LYS 36 -4.454 -4.967 -7.594
283 HZ2 LYS 36 HZ2 LYS 36 -2.925 -4.448 -7.413
284 HZ3 LYS 36 HZ3 LYS 36 -4.164 -3.448 -7.088
285 H THR 37 H THR 37 -1.877 -5.024 -0.412
286 HA THR 37 HA THR 37 -2.714 -3.129 1.667
287 HB THR 37 HB THR 37 -0.019 -4.469 1.302
288 HG1 THR 37 HG1 THR 37 -1.313 -6.109 1.886
289 HG21 THR 37 HG21 THR 37 -1.193 -3.008 3.673
290 HG22 THR 37 HG22 THR 37 0.055 -2.377 2.597
291 HG23 THR 37 HG23 THR 37 0.390 -3.783 3.607
292 H CYS 38 H CYS 38 -1.764 -1.063 1.803
293 HA CYS 38 HA CYS 38 -0.873 0.008 -0.732
294 HB2 CYS 38 HB2 CYS 38 -2.456 1.346 0.471
295 HB3 CYS 38 HB3 CYS 38 -1.482 1.281 1.938
296 H CYS 39 H CYS 39 1.149 0.626 -1.235
297 HA CYS 39 HA CYS 39 3.183 0.392 0.880
298 HB2 CYS 39 HB2 CYS 39 3.510 -0.144 -2.080
299 HB3 CYS 39 HB3 CYS 39 4.778 -0.276 -0.861
300 H VAL 40 H VAL 40 3.736 2.350 1.488
301 HA VAL 40 HA VAL 40 4.425 4.328 -0.567
302 HB VAL 40 HB VAL 40 3.529 6.113 1.032
303 HG11 VAL 40 HG11 VAL 40 2.469 5.501 -1.104
304 HG12 VAL 40 HG12 VAL 40 1.285 5.972 0.122
305 HG13 VAL 40 HG13 VAL 40 1.528 4.266 -0.265
306 HG21 VAL 40 HG21 VAL 40 3.237 4.639 2.972
307 HG22 VAL 40 HG22 VAL 40 1.995 3.750 2.088
308 HG23 VAL 40 HG23 VAL 40 1.732 5.441 2.517
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 -13.495 3.378 -8.289
2 H2 LEU 1 H2 LEU 1 -12.375 4.507 -8.617
3 H3 LEU 1 H3 LEU 1 -13.197 4.563 -7.216
4 HA LEU 1 HA LEU 1 -11.335 2.453 -7.999
5 HB2 LEU 1 HB2 LEU 1 -11.078 4.718 -6.018
6 HB3 LEU 1 HB3 LEU 1 -9.987 3.349 -6.075
7 HG LEU 1 HG LEU 1 -10.377 5.414 -8.240
8 HD11 LEU 1 HD11 LEU 1 -8.054 5.996 -7.740
9 HD12 LEU 1 HD12 LEU 1 -8.043 4.815 -6.432
10 HD13 LEU 1 HD13 LEU 1 -9.099 6.224 -6.337
11 HD21 LEU 1 HD21 LEU 1 -9.961 3.263 -9.257
12 HD22 LEU 1 HD22 LEU 1 -8.604 2.978 -8.167
13 HD23 LEU 1 HD23 LEU 1 -8.513 4.261 -9.372
14 HA PRO 2 HA PRO 2 -12.954 -0.508 -5.188
15 HB2 PRO 2 HB2 PRO 2 -10.346 -0.098 -3.783
16 HB3 PRO 2 HB3 PRO 2 -11.186 -1.601 -4.145
17 HG2 PRO 2 HG2 PRO 2 -9.165 -0.806 -5.650
18 HG3 PRO 2 HG3 PRO 2 -10.607 -1.528 -6.399
19 HD2 PRO 2 HD2 PRO 2 -9.696 1.294 -6.381
20 HD3 PRO 2 HD3 PRO 2 -10.699 0.438 -7.567
21 H ARG 3 H ARG 3 -10.826 1.209 -2.943
22 HA ARG 3 HA ARG 3 -12.958 2.477 -1.523
23 HB2 ARG 3 HB2 ARG 3 -13.380 0.197 -0.798
24 HB3 ARG 3 HB3 ARG 3 -11.707 -0.015 -0.338
25 HG2 ARG 3 HG2 ARG 3 -12.186 1.982 1.258
26 HG3 ARG 3 HG3 ARG 3 -13.869 1.493 1.020
27 HD2 ARG 3 HD2 ARG 3 -12.905 -0.899 1.495
28 HD3 ARG 3 HD3 ARG 3 -11.618 0.007 2.289
29 HE ARG 3 HE ARG 3 -14.457 0.202 2.994
30 HH11 ARG 3 HH11 ARG 3 -11.073 0.376 3.876
31 HH12 ARG 3 HH12 ARG 3 -11.398 0.444 5.584
32 HH21 ARG 3 HH21 ARG 3 -14.881 0.312 5.252
33 HH22 ARG 3 HH22 ARG 3 -13.551 0.407 6.363
34 H ASP 4 H ASP 4 -9.976 0.970 -0.304
35 HA ASP 4 HA ASP 4 -9.120 3.524 0.758
36 HB2 ASP 4 HB2 ASP 4 -8.204 0.689 1.073
37 HB3 ASP 4 HB3 ASP 4 -7.122 2.000 1.525
38 H THR 5 H THR 5 -8.798 2.013 -2.168
39 HA THR 5 HA THR 5 -6.147 2.410 -2.902
40 HB THR 5 HB THR 5 -8.512 2.912 -4.704
41 HG1 THR 5 HG1 THR 5 -7.475 0.373 -4.711
42 HG21 THR 5 HG21 THR 5 -5.762 1.786 -5.246
43 HG22 THR 5 HG22 THR 5 -6.287 3.428 -5.625
44 HG23 THR 5 HG23 THR 5 -7.034 2.052 -6.439
45 H SER 6 H SER 6 -8.900 4.659 -3.185
46 HA SER 6 HA SER 6 -7.488 6.795 -4.330
47 HB2 SER 6 HB2 SER 6 -9.856 7.107 -2.477
48 HB3 SER 6 HB3 SER 6 -9.427 8.092 -3.877
49 HG SER 6 HG SER 6 -10.998 6.771 -4.605
50 H ARG 7 H ARG 7 -7.943 5.764 -1.045
51 HA ARG 7 HA ARG 7 -6.899 8.026 0.281
52 HB2 ARG 7 HB2 ARG 7 -8.245 6.386 1.438
53 HB3 ARG 7 HB3 ARG 7 -7.099 5.113 1.057
54 HG2 ARG 7 HG2 ARG 7 -5.445 6.147 2.503
55 HG3 ARG 7 HG3 ARG 7 -6.567 7.459 2.864
56 HD2 ARG 7 HD2 ARG 7 -8.148 5.830 3.799
57 HD3 ARG 7 HD3 ARG 7 -7.004 4.534 3.459
58 HE ARG 7 HE ARG 7 -5.806 6.539 5.056
59 HH11 ARG 7 HH11 ARG 7 -8.043 3.854 5.191
60 HH12 ARG 7 HH12 ARG 7 -7.782 3.562 6.883
61 HH21 ARG 7 HH21 ARG 7 -5.454 6.153 7.279
62 HH22 ARG 7 HH22 ARG 7 -6.310 4.867 8.068
63 H CYS 8 H CYS 8 -5.444 4.935 -0.693
64 HA CYS 8 HA CYS 8 -2.860 5.458 0.269
65 HB2 CYS 8 HB2 CYS 8 -3.565 3.218 -0.248
66 HB3 CYS 8 HB3 CYS 8 -3.836 3.643 -1.935
67 H VAL 9 H VAL 9 -4.318 6.029 -2.916
68 HA VAL 9 HA VAL 9 -1.814 6.930 -4.038
69 HB VAL 9 HB VAL 9 -3.589 5.807 -5.401
70 HG11 VAL 9 HG11 VAL 9 -5.544 6.833 -4.406
71 HG12 VAL 9 HG12 VAL 9 -5.527 7.057 -6.154
72 HG13 VAL 9 HG13 VAL 9 -5.087 8.394 -5.089
73 HG21 VAL 9 HG21 VAL 9 -1.873 7.088 -6.518
74 HG22 VAL 9 HG22 VAL 9 -2.803 8.571 -6.300
75 HG23 VAL 9 HG23 VAL 9 -3.412 7.295 -7.355
76 H GLY 10 H GLY 10 -4.274 8.319 -2.161
77 HA2 GLY 10 HA2 GLY 10 -3.964 11.042 -2.850
78 HA3 GLY 10 HA3 GLY 10 -4.468 10.431 -1.277
79 H TYR 11 H TYR 11 -1.986 8.782 -1.153
80 HA TYR 11 HA TYR 11 -0.152 10.852 -0.246
81 HB2 TYR 11 HB2 TYR 11 -0.140 7.842 0.074
82 HB3 TYR 11 HB3 TYR 11 1.153 8.886 0.657
83 HD1 TYR 11 HD1 TYR 11 -2.443 8.089 1.058
84 HD2 TYR 11 HD2 TYR 11 0.954 10.062 2.686
85 HE1 TYR 11 HE1 TYR 11 -3.661 8.444 3.157
86 HE2 TYR 11 HE2 TYR 11 -0.257 10.422 4.792
87 HH TYR 11 HH TYR 11 -3.208 8.860 5.505
88 H HIS 12 H HIS 12 1.596 8.128 -1.052
89 HA HIS 12 HA HIS 12 2.176 8.782 -3.793
90 HB2 HIS 12 HB2 HIS 12 4.341 9.266 -1.722
91 HB3 HIS 12 HB3 HIS 12 4.539 9.360 -3.463
92 HD1 HIS 12 HD1 HIS 12 3.713 11.518 -4.633
93 HD2 HIS 12 HD2 HIS 12 3.160 11.468 -0.513
94 HE1 HIS 12 HE1 HIS 12 3.165 13.889 -3.997
95 HE2 HIS 12 HE2 HIS 12 2.765 13.826 -1.511
96 H GLY 13 H GLY 13 2.136 6.697 -4.447
97 HA2 GLY 13 HA2 GLY 13 4.199 4.954 -4.199
98 HA3 GLY 13 HA3 GLY 13 3.198 4.584 -2.801
99 H TYR 14 H TYR 14 2.308 2.658 -3.318
100 HA TYR 14 HA TYR 14 0.336 2.608 -5.372
101 HB2 TYR 14 HB2 TYR 14 1.287 0.844 -6.766
102 HB3 TYR 14 HB3 TYR 14 2.258 2.301 -6.821
103 HD1 TYR 14 HD1 TYR 14 4.341 2.330 -5.213
104 HD2 TYR 14 HD2 TYR 14 2.297 -1.200 -6.424
105 HE1 TYR 14 HE1 TYR 14 6.343 0.998 -4.700
106 HE2 TYR 14 HE2 TYR 14 4.291 -2.535 -5.911
107 HH TYR 14 HH TYR 14 6.667 -2.273 -5.674
108 H CYS 15 H CYS 15 -0.511 0.339 -5.686
109 HA CYS 15 HA CYS 15 -0.771 -0.836 -3.002
110 HB2 CYS 15 HB2 CYS 15 -2.718 -0.806 -5.317
111 HB3 CYS 15 HB3 CYS 15 -3.014 -1.540 -3.746
112 H ILE 16 H ILE 16 -0.322 -2.960 -2.705
113 HA ILE 16 HA ILE 16 0.069 -4.593 -5.126
114 HB ILE 16 HB ILE 16 1.932 -5.703 -4.192
115 HG12 ILE 16 HG12 ILE 16 1.397 -4.213 -1.625
116 HG13 ILE 16 HG13 ILE 16 1.076 -5.917 -1.899
117 HG21 ILE 16 HG21 ILE 16 2.488 -3.538 -5.124
118 HG22 ILE 16 HG22 ILE 16 3.545 -3.910 -3.765
119 HG23 ILE 16 HG23 ILE 16 2.214 -2.774 -3.560
120 HD11 ILE 16 HD11 ILE 16 3.100 -5.659 -0.633
121 HD12 ILE 16 HD12 ILE 16 3.773 -4.586 -1.861
122 HD13 ILE 16 HD13 ILE 16 3.486 -6.286 -2.236
123 H ARG 17 H ARG 17 -0.560 -6.750 -4.995
124 HA ARG 17 HA ARG 17 -2.259 -7.459 -2.753
125 HB2 ARG 17 HB2 ARG 17 -2.225 -9.692 -4.302
126 HB3 ARG 17 HB3 ARG 17 -3.362 -8.373 -4.496
127 HG2 ARG 17 HG2 ARG 17 -2.479 -9.043 -6.640
128 HG3 ARG 17 HG3 ARG 17 -1.940 -7.414 -6.252
129 HD2 ARG 17 HD2 ARG 17 -0.097 -9.512 -5.381
130 HD3 ARG 17 HD3 ARG 17 -0.340 -9.460 -7.125
131 HE ARG 17 HE ARG 17 0.158 -6.900 -6.653
132 HH11 ARG 17 HH11 ARG 17 1.750 -9.715 -5.306
133 HH12 ARG 17 HH12 ARG 17 3.308 -8.953 -5.229
134 HH21 ARG 17 HH21 ARG 17 2.219 -5.901 -6.571
135 HH22 ARG 17 HH22 ARG 17 3.574 -6.790 -5.948
136 H SER 18 H SER 18 -0.662 -7.501 -1.193
137 HA SER 18 HA SER 18 0.446 -9.993 -0.535
138 HB2 SER 18 HB2 SER 18 2.410 -7.903 -1.545
139 HB3 SER 18 HB3 SER 18 2.881 -9.258 -0.525
140 HG SER 18 HG SER 18 1.421 -9.933 -2.772
141 H LYS 19 H LYS 19 1.327 -9.885 1.649
142 HA LYS 19 HA LYS 19 0.370 -7.498 3.025
143 HB2 LYS 19 HB2 LYS 19 1.276 -10.140 4.172
144 HB3 LYS 19 HB3 LYS 19 0.477 -8.843 5.051
145 HG2 LYS 19 HG2 LYS 19 -0.689 -10.544 2.862
146 HG3 LYS 19 HG3 LYS 19 -1.123 -10.551 4.567
147 HD2 LYS 19 HD2 LYS 19 -1.523 -8.259 2.643
148 HD3 LYS 19 HD3 LYS 19 -2.780 -9.348 3.228
149 HE2 LYS 19 HE2 LYS 19 -2.524 -8.536 5.470
150 HE3 LYS 19 HE3 LYS 19 -1.111 -7.586 5.016
151 HZ1 LYS 19 HZ1 LYS 19 -3.841 -7.130 4.038
152 HZ2 LYS 19 HZ2 LYS 19 -2.535 -6.247 3.634
153 HZ3 LYS 19 HZ3 LYS 19 -3.080 -6.232 5.166
154 H VAL 20 H VAL 20 3.271 -8.746 1.897
155 HA VAL 20 HA VAL 20 4.803 -7.138 3.830
156 HB VAL 20 HB VAL 20 5.835 -9.263 1.937
157 HG11 VAL 20 HG11 VAL 20 7.929 -9.058 3.191
158 HG12 VAL 20 HG12 VAL 20 7.234 -7.743 4.137
159 HG13 VAL 20 HG13 VAL 20 7.494 -7.541 2.404
160 HG21 VAL 20 HG21 VAL 20 5.391 -9.361 4.920
161 HG22 VAL 20 HG22 VAL 20 6.188 -10.610 3.961
162 HG23 VAL 20 HG23 VAL 20 4.482 -10.249 3.696
163 H CYS 21 H CYS 21 5.430 -5.198 3.133
164 HA CYS 21 HA CYS 21 5.286 -4.580 0.306
165 HB2 CYS 21 HB2 CYS 21 5.628 -2.925 2.796
166 HB3 CYS 21 HB3 CYS 21 5.874 -2.231 1.195
167 HA PRO 22 HA PRO 22 9.675 -4.903 -0.394
168 HB2 PRO 22 HB2 PRO 22 9.749 -3.396 -2.661
169 HB3 PRO 22 HB3 PRO 22 9.236 -5.086 -2.632
170 HG2 PRO 22 HG2 PRO 22 7.591 -2.599 -2.721
171 HG3 PRO 22 HG3 PRO 22 7.333 -4.153 -3.532
172 HD2 PRO 22 HD2 PRO 22 5.979 -3.397 -1.298
173 HD3 PRO 22 HD3 PRO 22 6.332 -5.091 -1.695
174 H LYS 23 H LYS 23 11.529 -3.536 -0.351
175 HA LYS 23 HA LYS 23 11.027 -0.982 0.911
176 HB2 LYS 23 HB2 LYS 23 13.606 -2.461 0.370
177 HB3 LYS 23 HB3 LYS 23 13.501 -0.922 1.213
178 HG2 LYS 23 HG2 LYS 23 12.418 -3.582 2.099
179 HG3 LYS 23 HG3 LYS 23 13.693 -2.622 2.853
180 HD2 LYS 23 HD2 LYS 23 11.969 -0.827 3.231
181 HD3 LYS 23 HD3 LYS 23 10.752 -1.991 2.702
182 HE2 LYS 23 HE2 LYS 23 12.633 -2.352 5.034
183 HE3 LYS 23 HE3 LYS 23 10.938 -1.886 5.151
184 HZ1 LYS 23 HZ1 LYS 23 11.938 -4.424 4.078
185 HZ2 LYS 23 HZ2 LYS 23 10.374 -4.000 4.159
186 HZ3 LYS 23 HZ3 LYS 23 11.222 -4.221 5.525
187 HA PRO 24 HA PRO 24 11.881 0.635 1.361
188 HB2 PRO 24 HB2 PRO 24 12.118 3.323 1.059
189 HB3 PRO 24 HB3 PRO 24 13.509 2.236 1.100
190 HG2 PRO 24 HG2 PRO 24 12.465 3.769 -1.126
191 HG3 PRO 24 HG3 PRO 24 13.973 2.850 -1.026
192 HD2 PRO 24 HD2 PRO 24 11.378 2.077 -2.184
193 HD3 PRO 24 HD3 PRO 24 12.976 1.375 -2.472
194 H PHE 25 H PHE 25 9.793 0.306 1.865
195 HA PHE 25 HA PHE 25 7.866 2.400 1.418
196 HB2 PHE 25 HB2 PHE 25 7.551 -0.342 0.193
197 HB3 PHE 25 HB3 PHE 25 6.163 0.663 0.579
198 HD1 PHE 25 HD1 PHE 25 9.090 0.300 -1.649
199 HD2 PHE 25 HD2 PHE 25 5.641 2.609 -0.683
200 HE1 PHE 25 HE1 PHE 25 9.274 1.474 -3.800
201 HE2 PHE 25 HE2 PHE 25 5.812 3.790 -2.823
202 HZ PHE 25 HZ PHE 25 7.638 3.223 -4.394
203 H ALA 26 H ALA 26 5.967 2.121 2.711
204 HA ALA 26 HA ALA 26 6.367 0.235 4.943
205 HB1 ALA 26 HB1 ALA 26 4.975 2.919 4.946
206 HB2 ALA 26 HB2 ALA 26 6.568 2.577 5.625
207 HB3 ALA 26 HB3 ALA 26 5.130 1.839 6.332
208 H ALA 27 H ALA 27 4.669 -1.042 5.571
209 HA ALA 27 HA ALA 27 2.523 -1.457 3.750
210 HB1 ALA 27 HB1 ALA 27 1.719 -3.096 5.380
211 HB2 ALA 27 HB2 ALA 27 2.885 -2.502 6.560
212 HB3 ALA 27 HB3 ALA 27 3.446 -3.287 5.085
213 H PHE 28 H PHE 28 1.429 0.434 3.557
214 HA PHE 28 HA PHE 28 0.410 1.848 5.857
215 HB2 PHE 28 HB2 PHE 28 1.224 3.037 3.841
216 HB3 PHE 28 HB3 PHE 28 -0.046 2.288 2.890
217 HD1 PHE 28 HD1 PHE 28 0.891 5.086 4.824
218 HD2 PHE 28 HD2 PHE 28 -2.486 2.793 3.622
219 HE1 PHE 28 HE1 PHE 28 -0.580 6.978 5.347
220 HE2 PHE 28 HE2 PHE 28 -3.962 4.686 4.140
221 HZ PHE 28 HZ PHE 28 -3.011 6.783 5.000
222 H GLY 29 H GLY 29 -0.985 0.385 6.828
223 HA2 GLY 29 HA2 GLY 29 -2.975 -0.650 7.246
224 HA3 GLY 29 HA3 GLY 29 -3.640 0.702 6.349
225 H THR 30 H THR 30 -4.562 0.358 4.447
226 HA THR 30 HA THR 30 -4.197 -2.180 3.061
227 HB THR 30 HB THR 30 -6.767 -2.342 2.936
228 HG1 THR 30 HG1 THR 30 -6.359 -0.658 5.201
229 HG21 THR 30 HG21 THR 30 -5.272 -2.975 5.485
230 HG22 THR 30 HG22 THR 30 -5.343 -3.984 4.037
231 HG23 THR 30 HG23 THR 30 -6.804 -3.702 4.990
232 H CYS 31 H CYS 31 -4.921 -2.201 1.004
233 HA CYS 31 HA CYS 31 -5.790 0.335 -0.187
234 HB2 CYS 31 HB2 CYS 31 -4.027 -1.862 -1.141
235 HB3 CYS 31 HB3 CYS 31 -5.060 -1.079 -2.333
236 H SER 32 H SER 32 -6.694 -0.932 -2.589
237 HA SER 32 HA SER 32 -9.239 -1.016 -2.573
238 HB2 SER 32 HB2 SER 32 -7.930 -3.482 -3.646
239 HB3 SER 32 HB3 SER 32 -9.240 -2.537 -4.344
240 HG SER 32 HG SER 32 -7.281 -2.118 -5.417
241 H TRP 33 H TRP 33 -10.607 -1.498 -1.036
242 HA TRP 33 HA TRP 33 -11.887 -2.602 0.449
243 HB2 TRP 33 HB2 TRP 33 -10.876 -5.159 -0.796
244 HB3 TRP 33 HB3 TRP 33 -12.419 -4.884 0.012
245 HD1 TRP 33 HD1 TRP 33 -10.978 -5.077 -3.361
246 HE1 TRP 33 HE1 TRP 33 -12.588 -4.073 -5.109
247 HE3 TRP 33 HE3 TRP 33 -14.175 -2.626 -0.210
248 HZ2 TRP 33 HZ2 TRP 33 -14.896 -2.435 -5.137
249 HZ3 TRP 33 HZ3 TRP 33 -16.036 -1.349 -1.175
250 HH2 TRP 33 HH2 TRP 33 -16.390 -1.262 -3.593
251 H ARG 34 H ARG 34 -10.484 -5.554 0.935
252 HA ARG 34 HA ARG 34 -8.337 -4.524 2.655
253 HB2 ARG 34 HB2 ARG 34 -8.806 -6.294 4.313
254 HB3 ARG 34 HB3 ARG 34 -10.133 -5.154 4.163
255 HG2 ARG 34 HG2 ARG 34 -11.386 -6.736 2.837
256 HG3 ARG 34 HG3 ARG 34 -10.032 -7.867 2.867
257 HD2 ARG 34 HD2 ARG 34 -11.553 -6.887 5.280
258 HD3 ARG 34 HD3 ARG 34 -11.780 -8.450 4.498
259 HE ARG 34 HE ARG 34 -9.070 -8.122 5.214
260 HH11 ARG 34 HH11 ARG 34 -12.205 -8.701 6.647
261 HH12 ARG 34 HH12 ARG 34 -11.566 -9.561 8.011
262 HH21 ARG 34 HH21 ARG 34 -8.216 -9.256 7.008
263 HH22 ARG 34 HH22 ARG 34 -9.297 -9.881 8.216
264 H GLN 35 H GLN 35 -8.417 -5.500 -0.045
265 HA GLN 35 HA GLN 35 -7.410 -8.239 0.062
266 HB2 GLN 35 HB2 GLN 35 -8.082 -6.444 -2.276
267 HB3 GLN 35 HB3 GLN 35 -7.600 -8.132 -2.396
268 HG2 GLN 35 HG2 GLN 35 -9.997 -7.270 -0.825
269 HG3 GLN 35 HG3 GLN 35 -10.073 -7.600 -2.550
270 HE21 GLN 35 HE21 GLN 35 -9.699 -8.954 0.612
271 HE22 GLN 35 HE22 GLN 35 -9.846 -10.614 0.148
272 H LYS 36 H LYS 36 -6.452 -5.009 -0.966
273 HA LYS 36 HA LYS 36 -3.748 -6.035 -1.495
274 HB2 LYS 36 HB2 LYS 36 -4.858 -3.367 -2.371
275 HB3 LYS 36 HB3 LYS 36 -3.405 -4.164 -2.944
276 HG2 LYS 36 HG2 LYS 36 -4.824 -5.929 -3.952
277 HG3 LYS 36 HG3 LYS 36 -6.258 -5.016 -3.461
278 HD2 LYS 36 HD2 LYS 36 -5.778 -4.531 -5.771
279 HD3 LYS 36 HD3 LYS 36 -5.426 -3.098 -4.807
280 HE2 LYS 36 HE2 LYS 36 -3.042 -3.657 -4.851
281 HE3 LYS 36 HE3 LYS 36 -3.395 -5.095 -5.805
282 HZ1 LYS 36 HZ1 LYS 36 -3.896 -2.333 -6.662
283 HZ2 LYS 36 HZ2 LYS 36 -4.203 -3.658 -7.545
284 HZ3 LYS 36 HZ3 LYS 36 -2.669 -3.268 -7.179
285 H THR 37 H THR 37 -1.962 -4.917 -0.616
286 HA THR 37 HA THR 37 -2.603 -3.242 1.712
287 HB THR 37 HB THR 37 0.055 -4.508 0.986
288 HG1 THR 37 HG1 THR 37 -0.743 -6.295 1.752
289 HG21 THR 37 HG21 THR 37 -0.966 -3.328 3.578
290 HG22 THR 37 HG22 THR 37 0.243 -2.608 2.516
291 HG23 THR 37 HG23 THR 37 0.594 -4.118 3.356
292 H CYS 38 H CYS 38 -1.708 -1.155 1.893
293 HA CYS 38 HA CYS 38 -0.878 0.023 -0.624
294 HB2 CYS 38 HB2 CYS 38 -2.492 1.275 0.657
295 HB3 CYS 38 HB3 CYS 38 -1.461 1.229 2.084
296 H CYS 39 H CYS 39 1.141 0.586 -1.133
297 HA CYS 39 HA CYS 39 3.163 0.432 0.998
298 HB2 CYS 39 HB2 CYS 39 3.501 -0.225 -1.937
299 HB3 CYS 39 HB3 CYS 39 4.779 -0.270 -0.721
300 H VAL 40 H VAL 40 3.697 2.405 1.535
301 HA VAL 40 HA VAL 40 4.389 4.306 -0.582
302 HB VAL 40 HB VAL 40 3.484 6.149 0.937
303 HG11 VAL 40 HG11 VAL 40 1.275 6.017 0.011
304 HG12 VAL 40 HG12 VAL 40 1.431 4.274 -0.222
305 HG13 VAL 40 HG13 VAL 40 2.420 5.382 -1.178
306 HG21 VAL 40 HG21 VAL 40 1.952 3.839 2.096
307 HG22 VAL 40 HG22 VAL 40 1.703 5.550 2.458
308 HG23 VAL 40 HG23 VAL 40 3.205 4.756 2.934
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 -12.907 4.884 -7.629
2 H2 LEU 1 H2 LEU 1 -13.257 4.951 -6.045
3 H3 LEU 1 H3 LEU 1 -14.073 3.931 -7.010
4 HA LEU 1 HA LEU 1 -12.141 2.626 -7.415
5 HB2 LEU 1 HB2 LEU 1 -10.874 4.663 -5.576
6 HB3 LEU 1 HB3 LEU 1 -10.118 3.148 -6.018
7 HG LEU 1 HG LEU 1 -10.858 5.344 -7.953
8 HD11 LEU 1 HD11 LEU 1 -8.163 4.507 -6.895
9 HD12 LEU 1 HD12 LEU 1 -9.022 5.987 -6.473
10 HD13 LEU 1 HD13 LEU 1 -8.462 5.733 -8.125
11 HD21 LEU 1 HD21 LEU 1 -9.502 4.039 -9.545
12 HD22 LEU 1 HD22 LEU 1 -10.943 3.175 -9.012
13 HD23 LEU 1 HD23 LEU 1 -9.366 2.754 -8.343
14 HA PRO 2 HA PRO 2 -13.194 -0.428 -4.480
15 HB2 PRO 2 HB2 PRO 2 -10.459 0.077 -3.377
16 HB3 PRO 2 HB3 PRO 2 -11.293 -1.458 -3.614
17 HG2 PRO 2 HG2 PRO 2 -9.497 -0.464 -5.386
18 HG3 PRO 2 HG3 PRO 2 -10.861 -1.495 -5.865
19 HD2 PRO 2 HD2 PRO 2 -10.404 1.293 -6.485
20 HD3 PRO 2 HD3 PRO 2 -11.704 0.234 -7.057
21 H ARG 3 H ARG 3 -10.934 1.225 -2.314
22 HA ARG 3 HA ARG 3 -12.987 2.465 -0.767
23 HB2 ARG 3 HB2 ARG 3 -12.789 1.071 1.243
24 HB3 ARG 3 HB3 ARG 3 -13.420 0.171 -0.118
25 HG2 ARG 3 HG2 ARG 3 -11.458 -1.053 -0.388
26 HG3 ARG 3 HG3 ARG 3 -10.516 0.075 0.590
27 HD2 ARG 3 HD2 ARG 3 -12.781 -1.582 1.682
28 HD3 ARG 3 HD3 ARG 3 -11.097 -2.102 1.713
29 HE ARG 3 HE ARG 3 -10.681 0.004 3.021
30 HH11 ARG 3 HH11 ARG 3 -13.825 -1.566 3.071
31 HH12 ARG 3 HH12 ARG 3 -14.235 -0.965 4.643
32 HH21 ARG 3 HH21 ARG 3 -11.231 0.785 5.091
33 HH22 ARG 3 HH22 ARG 3 -12.770 0.383 5.784
34 H ASP 4 H ASP 4 -9.678 1.244 -0.847
35 HA ASP 4 HA ASP 4 -8.880 3.588 0.751
36 HB2 ASP 4 HB2 ASP 4 -7.906 0.767 0.799
37 HB3 ASP 4 HB3 ASP 4 -6.791 2.064 1.213
38 H THR 5 H THR 5 -8.676 2.198 -2.277
39 HA THR 5 HA THR 5 -6.117 2.629 -3.172
40 HB THR 5 HB THR 5 -8.505 3.392 -4.826
41 HG1 THR 5 HG1 THR 5 -7.717 0.714 -4.745
42 HG21 THR 5 HG21 THR 5 -5.939 1.929 -5.468
43 HG22 THR 5 HG22 THR 5 -6.265 3.630 -5.818
44 HG23 THR 5 HG23 THR 5 -7.202 2.365 -6.620
45 H SER 6 H SER 6 -8.804 4.989 -3.398
46 HA SER 6 HA SER 6 -7.278 7.105 -4.404
47 HB2 SER 6 HB2 SER 6 -9.755 7.319 -2.672
48 HB3 SER 6 HB3 SER 6 -9.156 8.528 -3.807
49 HG SER 6 HG SER 6 -9.981 7.440 -5.419
50 H ARG 7 H ARG 7 -7.971 6.102 -1.114
51 HA ARG 7 HA ARG 7 -6.871 8.292 0.245
52 HB2 ARG 7 HB2 ARG 7 -8.198 6.779 1.492
53 HB3 ARG 7 HB3 ARG 7 -7.251 5.395 0.968
54 HG2 ARG 7 HG2 ARG 7 -5.383 6.118 2.327
55 HG3 ARG 7 HG3 ARG 7 -6.263 7.573 2.798
56 HD2 ARG 7 HD2 ARG 7 -7.269 4.786 3.331
57 HD3 ARG 7 HD3 ARG 7 -6.283 5.693 4.477
58 HE ARG 7 HE ARG 7 -8.164 7.434 4.221
59 HH11 ARG 7 HH11 ARG 7 -8.636 3.960 4.122
60 HH12 ARG 7 HH12 ARG 7 -10.236 4.047 4.794
61 HH21 ARG 7 HH21 ARG 7 -10.259 7.536 5.090
62 HH22 ARG 7 HH22 ARG 7 -11.161 6.076 5.343
63 H CYS 8 H CYS 8 -5.421 5.198 -0.723
64 HA CYS 8 HA CYS 8 -2.872 5.701 0.360
65 HB2 CYS 8 HB2 CYS 8 -3.564 3.460 -0.120
66 HB3 CYS 8 HB3 CYS 8 -3.812 3.842 -1.821
67 H VAL 9 H VAL 9 -4.187 6.207 -2.894
68 HA VAL 9 HA VAL 9 -1.613 6.919 -3.965
69 HB VAL 9 HB VAL 9 -3.421 5.845 -5.323
70 HG11 VAL 9 HG11 VAL 9 -4.748 8.542 -5.231
71 HG12 VAL 9 HG12 VAL 9 -5.318 7.080 -4.426
72 HG13 VAL 9 HG13 VAL 9 -5.259 7.148 -6.186
73 HG21 VAL 9 HG21 VAL 9 -2.431 8.501 -6.341
74 HG22 VAL 9 HG22 VAL 9 -3.075 7.200 -7.344
75 HG23 VAL 9 HG23 VAL 9 -1.581 6.958 -6.435
76 H GLY 10 H GLY 10 -4.027 8.567 -2.233
77 HA2 GLY 10 HA2 GLY 10 -3.467 11.220 -3.058
78 HA3 GLY 10 HA3 GLY 10 -4.118 10.745 -1.494
79 H TYR 11 H TYR 11 -1.750 8.908 -1.188
80 HA TYR 11 HA TYR 11 0.148 10.867 -0.178
81 HB2 TYR 11 HB2 TYR 11 0.033 7.847 0.062
82 HB3 TYR 11 HB3 TYR 11 1.296 8.841 0.774
83 HD1 TYR 11 HD1 TYR 11 -2.292 8.014 0.908
84 HD2 TYR 11 HD2 TYR 11 0.928 10.050 2.796
85 HE1 TYR 11 HE1 TYR 11 -3.672 8.321 2.918
86 HE2 TYR 11 HE2 TYR 11 -0.446 10.367 4.810
87 HH TYR 11 HH TYR 11 -3.457 8.750 5.254
88 H HIS 12 H HIS 12 1.796 8.084 -0.945
89 HA HIS 12 HA HIS 12 2.505 8.743 -3.664
90 HB2 HIS 12 HB2 HIS 12 4.593 9.042 -1.479
91 HB3 HIS 12 HB3 HIS 12 4.902 9.118 -3.204
92 HD1 HIS 12 HD1 HIS 12 4.394 11.329 -4.398
93 HD2 HIS 12 HD2 HIS 12 3.438 11.338 -0.354
94 HE1 HIS 12 HE1 HIS 12 3.966 13.736 -3.812
95 HE2 HIS 12 HE2 HIS 12 3.248 13.696 -1.397
96 H GLY 13 H GLY 13 2.314 6.662 -4.363
97 HA2 GLY 13 HA2 GLY 13 4.227 4.761 -4.092
98 HA3 GLY 13 HA3 GLY 13 3.183 4.462 -2.708
99 H TYR 14 H TYR 14 2.183 2.586 -3.258
100 HA TYR 14 HA TYR 14 0.215 2.633 -5.301
101 HB2 TYR 14 HB2 TYR 14 1.116 0.943 -6.801
102 HB3 TYR 14 HB3 TYR 14 2.143 2.361 -6.777
103 HD1 TYR 14 HD1 TYR 14 4.273 2.236 -5.316
104 HD2 TYR 14 HD2 TYR 14 1.998 -1.180 -6.447
105 HE1 TYR 14 HE1 TYR 14 6.222 0.799 -4.887
106 HE2 TYR 14 HE2 TYR 14 3.939 -2.622 -6.019
107 HH TYR 14 HH TYR 14 6.285 -2.532 -5.826
108 H CYS 15 H CYS 15 -0.603 0.339 -5.741
109 HA CYS 15 HA CYS 15 -1.002 -0.888 -3.109
110 HB2 CYS 15 HB2 CYS 15 -2.623 -1.149 -5.653
111 HB3 CYS 15 HB3 CYS 15 -3.067 -1.782 -4.071
112 H ILE 16 H ILE 16 -0.506 -3.011 -2.709
113 HA ILE 16 HA ILE 16 0.273 -4.670 -5.014
114 HB ILE 16 HB ILE 16 2.142 -5.570 -3.926
115 HG12 ILE 16 HG12 ILE 16 1.331 -4.144 -1.391
116 HG13 ILE 16 HG13 ILE 16 1.057 -5.852 -1.708
117 HG21 ILE 16 HG21 ILE 16 2.562 -3.341 -4.787
118 HG22 ILE 16 HG22 ILE 16 3.561 -3.674 -3.372
119 HG23 ILE 16 HG23 ILE 16 2.132 -2.650 -3.222
120 HD11 ILE 16 HD11 ILE 16 3.488 -6.179 -1.879
121 HD12 ILE 16 HD12 ILE 16 2.979 -5.582 -0.301
122 HD13 ILE 16 HD13 ILE 16 3.720 -4.480 -1.462
123 H ARG 17 H ARG 17 -0.271 -6.846 -4.867
124 HA ARG 17 HA ARG 17 -2.076 -7.570 -2.711
125 HB2 ARG 17 HB2 ARG 17 -2.503 -9.633 -3.980
126 HB3 ARG 17 HB3 ARG 17 -2.787 -8.203 -4.946
127 HG2 ARG 17 HG2 ARG 17 -0.217 -9.741 -5.120
128 HG3 ARG 17 HG3 ARG 17 -1.645 -10.202 -6.044
129 HD2 ARG 17 HD2 ARG 17 -0.742 -8.847 -7.599
130 HD3 ARG 17 HD3 ARG 17 -1.519 -7.584 -6.649
131 HE ARG 17 HE ARG 17 1.004 -7.950 -5.557
132 HH11 ARG 17 HH11 ARG 17 -0.340 -6.992 -8.642
133 HH12 ARG 17 HH12 ARG 17 1.021 -6.010 -9.074
134 HH21 ARG 17 HH21 ARG 17 2.794 -6.651 -6.113
135 HH22 ARG 17 HH22 ARG 17 2.807 -5.808 -7.629
136 H SER 18 H SER 18 -0.653 -7.595 -1.028
137 HA SER 18 HA SER 18 0.593 -10.046 -0.385
138 HB2 SER 18 HB2 SER 18 2.421 -7.701 -1.009
139 HB3 SER 18 HB3 SER 18 2.922 -9.103 -0.075
140 HG SER 18 HG SER 18 1.787 -9.908 -2.374
141 H LYS 19 H LYS 19 1.655 -9.825 1.830
142 HA LYS 19 HA LYS 19 0.332 -7.666 3.326
143 HB2 LYS 19 HB2 LYS 19 1.514 -10.231 4.406
144 HB3 LYS 19 HB3 LYS 19 0.544 -9.067 5.292
145 HG2 LYS 19 HG2 LYS 19 -0.642 -10.341 2.884
146 HG3 LYS 19 HG3 LYS 19 -0.486 -11.299 4.353
147 HD2 LYS 19 HD2 LYS 19 -2.668 -10.317 4.324
148 HD3 LYS 19 HD3 LYS 19 -1.722 -9.514 5.571
149 HE2 LYS 19 HE2 LYS 19 -1.363 -7.611 4.141
150 HE3 LYS 19 HE3 LYS 19 -2.156 -8.427 2.794
151 HZ1 LYS 19 HZ1 LYS 19 -3.602 -6.861 3.917
152 HZ2 LYS 19 HZ2 LYS 19 -3.466 -7.682 5.311
153 HZ3 LYS 19 HZ3 LYS 19 -4.191 -8.373 4.031
154 H VAL 20 H VAL 20 3.255 -8.572 2.071
155 HA VAL 20 HA VAL 20 4.724 -6.877 3.978
156 HB VAL 20 HB VAL 20 5.779 -9.180 2.323
157 HG11 VAL 20 HG11 VAL 20 7.252 -7.415 4.268
158 HG12 VAL 20 HG12 VAL 20 7.402 -7.343 2.512
159 HG13 VAL 20 HG13 VAL 20 7.921 -8.787 3.384
160 HG21 VAL 20 HG21 VAL 20 4.497 -9.900 4.270
161 HG22 VAL 20 HG22 VAL 20 5.482 -8.871 5.309
162 HG23 VAL 20 HG23 VAL 20 6.213 -10.245 4.482
163 H CYS 21 H CYS 21 5.337 -5.007 3.142
164 HA CYS 21 HA CYS 21 5.146 -4.546 0.292
165 HB2 CYS 21 HB2 CYS 21 5.614 -2.758 2.669
166 HB3 CYS 21 HB3 CYS 21 5.738 -2.163 1.016
167 HA PRO 22 HA PRO 22 9.507 -4.908 -0.518
168 HB2 PRO 22 HB2 PRO 22 9.546 -3.508 -2.848
169 HB3 PRO 22 HB3 PRO 22 9.000 -5.185 -2.728
170 HG2 PRO 22 HG2 PRO 22 7.404 -2.673 -2.897
171 HG3 PRO 22 HG3 PRO 22 7.091 -4.258 -3.620
172 HD2 PRO 22 HD2 PRO 22 5.828 -3.347 -1.383
173 HD3 PRO 22 HD3 PRO 22 6.099 -5.067 -1.723
174 H LYS 23 H LYS 23 11.349 -3.633 -0.310
175 HA LYS 23 HA LYS 23 10.881 -1.014 0.793
176 HB2 LYS 23 HB2 LYS 23 13.408 -2.613 0.409
177 HB3 LYS 23 HB3 LYS 23 13.321 -1.064 1.245
178 HG2 LYS 23 HG2 LYS 23 12.097 -1.951 3.011
179 HG3 LYS 23 HG3 LYS 23 11.628 -3.383 2.092
180 HD2 LYS 23 HD2 LYS 23 13.906 -4.181 2.125
181 HD3 LYS 23 HD3 LYS 23 14.431 -2.725 2.976
182 HE2 LYS 23 HE2 LYS 23 12.993 -3.320 4.867
183 HE3 LYS 23 HE3 LYS 23 12.478 -4.774 4.015
184 HZ1 LYS 23 HZ1 LYS 23 15.217 -4.192 4.893
185 HZ2 LYS 23 HZ2 LYS 23 14.762 -5.527 4.085
186 HZ3 LYS 23 HZ3 LYS 23 14.204 -5.260 5.588
187 HA PRO 24 HA PRO 24 11.772 0.543 1.277
188 HB2 PRO 24 HB2 PRO 24 12.037 3.180 1.085
189 HB3 PRO 24 HB3 PRO 24 13.446 2.119 0.985
190 HG2 PRO 24 HG2 PRO 24 11.996 3.560 -1.183
191 HG3 PRO 24 HG3 PRO 24 13.726 3.212 -1.029
192 HD2 PRO 24 HD2 PRO 24 11.843 1.761 -2.548
193 HD3 PRO 24 HD3 PRO 24 13.499 1.266 -2.163
194 H PHE 25 H PHE 25 9.660 0.187 1.698
195 HA PHE 25 HA PHE 25 7.796 2.351 1.292
196 HB2 PHE 25 HB2 PHE 25 7.393 -0.351 0.028
197 HB3 PHE 25 HB3 PHE 25 6.021 0.633 0.509
198 HD1 PHE 25 HD1 PHE 25 8.565 0.084 -1.992
199 HD2 PHE 25 HD2 PHE 25 5.698 2.858 -0.527
200 HE1 PHE 25 HE1 PHE 25 8.645 1.294 -4.134
201 HE2 PHE 25 HE2 PHE 25 5.763 4.077 -2.655
202 HZ PHE 25 HZ PHE 25 7.246 3.297 -4.468
203 H ALA 26 H ALA 26 5.913 2.119 2.633
204 HA ALA 26 HA ALA 26 6.363 0.256 4.872
205 HB1 ALA 26 HB1 ALA 26 6.575 2.604 5.506
206 HB2 ALA 26 HB2 ALA 26 5.163 1.874 6.271
207 HB3 ALA 26 HB3 ALA 26 4.962 2.930 4.871
208 H ALA 27 H ALA 27 4.626 -0.873 5.715
209 HA ALA 27 HA ALA 27 2.487 -1.451 3.905
210 HB1 ALA 27 HB1 ALA 27 1.739 -3.026 5.620
211 HB2 ALA 27 HB2 ALA 27 2.900 -2.345 6.760
212 HB3 ALA 27 HB3 ALA 27 3.469 -3.191 5.321
213 H PHE 28 H PHE 28 1.309 0.403 3.635
214 HA PHE 28 HA PHE 28 0.258 1.820 5.945
215 HB2 PHE 28 HB2 PHE 28 1.126 3.019 3.926
216 HB3 PHE 28 HB3 PHE 28 -0.181 2.317 2.984
217 HD1 PHE 28 HD1 PHE 28 0.854 5.062 4.947
218 HD2 PHE 28 HD2 PHE 28 -2.592 2.857 3.781
219 HE1 PHE 28 HE1 PHE 28 -0.566 6.975 5.531
220 HE2 PHE 28 HE2 PHE 28 -4.021 4.770 4.360
221 HZ PHE 28 HZ PHE 28 -3.009 6.834 5.233
222 H GLY 29 H GLY 29 -1.113 0.200 6.810
223 HA2 GLY 29 HA2 GLY 29 -3.131 -0.812 7.155
224 HA3 GLY 29 HA3 GLY 29 -3.775 0.582 6.305
225 H THR 30 H THR 30 -4.595 0.345 4.320
226 HA THR 30 HA THR 30 -4.279 -2.183 2.896
227 HB THR 30 HB THR 30 -6.812 -2.256 2.606
228 HG1 THR 30 HG1 THR 30 -7.851 -0.692 3.584
229 HG21 THR 30 HG21 THR 30 -5.570 -3.895 3.911
230 HG22 THR 30 HG22 THR 30 -7.110 -3.526 4.693
231 HG23 THR 30 HG23 THR 30 -5.610 -2.828 5.315
232 H CYS 31 H CYS 31 -5.082 -2.132 0.794
233 HA CYS 31 HA CYS 31 -5.574 0.522 -0.377
234 HB2 CYS 31 HB2 CYS 31 -3.664 -1.515 -1.082
235 HB3 CYS 31 HB3 CYS 31 -4.789 -1.257 -2.408
236 H SER 32 H SER 32 -6.420 -0.544 -2.896
237 HA SER 32 HA SER 32 -9.010 -0.971 -2.895
238 HB2 SER 32 HB2 SER 32 -7.239 -2.890 -4.371
239 HB3 SER 32 HB3 SER 32 -8.780 -2.218 -4.890
240 HG SER 32 HG SER 32 -7.002 -1.190 -5.908
241 H TRP 33 H TRP 33 -10.142 -1.961 -1.353
242 HA TRP 33 HA TRP 33 -11.016 -3.499 0.041
243 HB2 TRP 33 HB2 TRP 33 -9.958 -5.506 -1.952
244 HB3 TRP 33 HB3 TRP 33 -11.298 -5.733 -0.828
245 HD1 TRP 33 HD1 TRP 33 -10.850 -5.166 -4.317
246 HE1 TRP 33 HE1 TRP 33 -12.837 -3.941 -5.396
247 HE3 TRP 33 HE3 TRP 33 -13.096 -3.379 -0.087
248 HZ2 TRP 33 HZ2 TRP 33 -15.058 -2.409 -4.562
249 HZ3 TRP 33 HZ3 TRP 33 -15.134 -2.026 -0.318
250 HH2 TRP 33 HH2 TRP 33 -16.094 -1.556 -2.517
251 H ARG 34 H ARG 34 -10.499 -5.618 1.322
252 HA ARG 34 HA ARG 34 -7.997 -5.093 2.651
253 HB2 ARG 34 HB2 ARG 34 -8.701 -6.789 4.260
254 HB3 ARG 34 HB3 ARG 34 -9.990 -5.636 3.957
255 HG2 ARG 34 HG2 ARG 34 -11.065 -7.256 2.452
256 HG3 ARG 34 HG3 ARG 34 -9.787 -8.416 2.816
257 HD2 ARG 34 HD2 ARG 34 -11.697 -7.204 4.811
258 HD3 ARG 34 HD3 ARG 34 -11.792 -8.836 4.156
259 HE ARG 34 HE ARG 34 -9.416 -8.992 5.211
260 HH11 ARG 34 HH11 ARG 34 -12.220 -7.370 6.530
261 HH12 ARG 34 HH12 ARG 34 -11.727 -7.573 8.179
262 HH21 ARG 34 HH21 ARG 34 -8.756 -9.267 7.391
263 HH22 ARG 34 HH22 ARG 34 -9.751 -8.647 8.669
264 H GLN 35 H GLN 35 -7.946 -6.124 -0.078
265 HA GLN 35 HA GLN 35 -6.679 -8.751 0.255
266 HB2 GLN 35 HB2 GLN 35 -7.492 -7.349 -2.295
267 HB3 GLN 35 HB3 GLN 35 -7.033 -9.036 -2.110
268 HG2 GLN 35 HG2 GLN 35 -9.438 -7.809 -0.803
269 HG3 GLN 35 HG3 GLN 35 -9.471 -8.618 -2.362
270 HE21 GLN 35 HE21 GLN 35 -10.831 -9.289 0.113
271 HE22 GLN 35 HE22 GLN 35 -10.338 -10.898 0.515
272 H LYS 36 H LYS 36 -6.207 -5.458 -0.784
273 HA LYS 36 HA LYS 36 -3.410 -6.074 -1.460
274 HB2 LYS 36 HB2 LYS 36 -4.761 -3.548 -2.336
275 HB3 LYS 36 HB3 LYS 36 -3.423 -4.394 -3.069
276 HG2 LYS 36 HG2 LYS 36 -6.157 -5.605 -3.034
277 HG3 LYS 36 HG3 LYS 36 -5.701 -4.410 -4.249
278 HD2 LYS 36 HD2 LYS 36 -4.046 -6.851 -3.703
279 HD3 LYS 36 HD3 LYS 36 -5.380 -6.853 -4.860
280 HE2 LYS 36 HE2 LYS 36 -3.303 -4.723 -5.025
281 HE3 LYS 36 HE3 LYS 36 -2.936 -6.325 -5.635
282 HZ1 LYS 36 HZ1 LYS 36 -3.827 -4.887 -7.341
283 HZ2 LYS 36 HZ2 LYS 36 -5.201 -4.676 -6.497
284 HZ3 LYS 36 HZ3 LYS 36 -4.831 -6.145 -7.083
285 H THR 37 H THR 37 -1.819 -4.935 -0.452
286 HA THR 37 HA THR 37 -2.660 -3.182 1.749
287 HB THR 37 HB THR 37 0.051 -4.439 1.220
288 HG1 THR 37 HG1 THR 37 -0.894 -6.168 1.972
289 HG21 THR 37 HG21 THR 37 -1.050 -3.048 3.668
290 HG22 THR 37 HG22 THR 37 0.217 -2.436 2.605
291 HG23 THR 37 HG23 THR 37 0.503 -3.878 3.581
292 H CYS 38 H CYS 38 -1.935 -1.055 1.869
293 HA CYS 38 HA CYS 38 -1.030 0.117 -0.600
294 HB2 CYS 38 HB2 CYS 38 -2.629 1.402 0.615
295 HB3 CYS 38 HB3 CYS 38 -1.702 1.267 2.107
296 H CYS 39 H CYS 39 0.991 0.673 -1.109
297 HA CYS 39 HA CYS 39 3.021 0.475 1.010
298 HB2 CYS 39 HB2 CYS 39 3.294 -0.172 -1.931
299 HB3 CYS 39 HB3 CYS 39 4.604 -0.223 -0.751
300 H VAL 40 H VAL 40 3.666 2.411 1.557
301 HA VAL 40 HA VAL 40 4.280 4.365 -0.535
302 HB VAL 40 HB VAL 40 3.356 6.165 1.029
303 HG11 VAL 40 HG11 VAL 40 1.336 4.262 -0.153
304 HG12 VAL 40 HG12 VAL 40 2.294 5.407 -1.096
305 HG13 VAL 40 HG13 VAL 40 1.143 5.999 0.106
306 HG21 VAL 40 HG21 VAL 40 1.582 5.475 2.541
307 HG22 VAL 40 HG22 VAL 40 3.120 4.745 3.006
308 HG23 VAL 40 HG23 VAL 40 1.905 3.786 2.156
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 -13.849 3.659 -7.816
2 H2 LEU 1 H2 LEU 1 -12.911 4.949 -8.102
3 H3 LEU 1 H3 LEU 1 -13.652 4.790 -6.666
4 HA LEU 1 HA LEU 1 -11.559 3.038 -7.703
5 HB2 LEU 1 HB2 LEU 1 -11.525 5.103 -5.497
6 HB3 LEU 1 HB3 LEU 1 -10.268 3.906 -5.723
7 HG LEU 1 HG LEU 1 -10.093 4.931 -8.122
8 HD11 LEU 1 HD11 LEU 1 -11.361 7.193 -6.588
9 HD12 LEU 1 HD12 LEU 1 -12.036 6.368 -7.992
10 HD13 LEU 1 HD13 LEU 1 -10.572 7.334 -8.157
11 HD21 LEU 1 HD21 LEU 1 -9.087 6.373 -5.674
12 HD22 LEU 1 HD22 LEU 1 -8.430 6.523 -7.304
13 HD23 LEU 1 HD23 LEU 1 -8.327 4.984 -6.448
14 HA PRO 2 HA PRO 2 -12.795 -0.415 -5.331
15 HB2 PRO 2 HB2 PRO 2 -10.184 0.039 -3.948
16 HB3 PRO 2 HB3 PRO 2 -10.886 -1.468 -4.512
17 HG2 PRO 2 HG2 PRO 2 -8.997 -0.217 -5.907
18 HG3 PRO 2 HG3 PRO 2 -10.347 -1.039 -6.727
19 HD2 PRO 2 HD2 PRO 2 -9.805 1.847 -6.444
20 HD3 PRO 2 HD3 PRO 2 -10.811 1.001 -7.634
21 H ARG 3 H ARG 3 -10.741 1.249 -2.981
22 HA ARG 3 HA ARG 3 -12.914 1.959 -1.262
23 HB2 ARG 3 HB2 ARG 3 -12.870 -0.463 -0.903
24 HB3 ARG 3 HB3 ARG 3 -11.166 -0.390 -0.506
25 HG2 ARG 3 HG2 ARG 3 -11.878 1.193 1.368
26 HG3 ARG 3 HG3 ARG 3 -13.502 0.552 1.073
27 HD2 ARG 3 HD2 ARG 3 -12.312 -1.751 1.158
28 HD3 ARG 3 HD3 ARG 3 -11.048 -0.868 2.012
29 HE ARG 3 HE ARG 3 -13.839 -1.047 2.880
30 HH11 ARG 3 HH11 ARG 3 -10.439 -0.656 3.598
31 HH12 ARG 3 HH12 ARG 3 -10.656 -0.851 5.313
32 HH21 ARG 3 HH21 ARG 3 -14.124 -1.303 5.143
33 HH22 ARG 3 HH22 ARG 3 -12.744 -1.218 6.190
34 H ASP 4 H ASP 4 -9.685 0.775 -0.399
35 HA ASP 4 HA ASP 4 -9.150 3.305 0.917
36 HB2 ASP 4 HB2 ASP 4 -7.631 0.697 0.866
37 HB3 ASP 4 HB3 ASP 4 -7.093 2.125 1.739
38 H THR 5 H THR 5 -8.644 2.025 -2.104
39 HA THR 5 HA THR 5 -6.108 2.638 -2.906
40 HB THR 5 HB THR 5 -8.487 3.429 -4.560
41 HG1 THR 5 HG1 THR 5 -7.656 0.775 -4.643
42 HG21 THR 5 HG21 THR 5 -7.127 2.499 -6.383
43 HG22 THR 5 HG22 THR 5 -5.856 2.093 -5.225
44 HG23 THR 5 HG23 THR 5 -6.267 3.785 -5.528
45 H SER 6 H SER 6 -8.854 4.893 -2.692
46 HA SER 6 HA SER 6 -7.564 7.114 -3.818
47 HB2 SER 6 HB2 SER 6 -9.766 7.256 -1.754
48 HB3 SER 6 HB3 SER 6 -9.454 8.364 -3.092
49 HG SER 6 HG SER 6 -11.173 6.948 -3.573
50 H ARG 7 H ARG 7 -7.978 6.114 -0.447
51 HA ARG 7 HA ARG 7 -6.683 8.248 0.800
52 HB2 ARG 7 HB2 ARG 7 -7.961 6.621 2.058
53 HB3 ARG 7 HB3 ARG 7 -6.874 5.330 1.571
54 HG2 ARG 7 HG2 ARG 7 -5.076 6.330 2.865
55 HG3 ARG 7 HG3 ARG 7 -6.133 7.670 3.317
56 HD2 ARG 7 HD2 ARG 7 -6.614 4.764 3.973
57 HD3 ARG 7 HD3 ARG 7 -5.972 5.968 5.092
58 HE ARG 7 HE ARG 7 -8.275 7.103 4.339
59 HH11 ARG 7 HH11 ARG 7 -7.563 3.852 5.413
60 HH12 ARG 7 HH12 ARG 7 -9.129 3.593 6.106
61 HH21 ARG 7 HH21 ARG 7 -10.338 6.784 5.260
62 HH22 ARG 7 HH22 ARG 7 -10.716 5.274 6.021
63 H CYS 8 H CYS 8 -5.409 5.209 -0.482
64 HA CYS 8 HA CYS 8 -2.754 5.574 0.398
65 HB2 CYS 8 HB2 CYS 8 -3.593 3.391 -0.209
66 HB3 CYS 8 HB3 CYS 8 -3.884 3.920 -1.864
67 H VAL 9 H VAL 9 -4.366 6.370 -2.654
68 HA VAL 9 HA VAL 9 -1.883 7.179 -3.885
69 HB VAL 9 HB VAL 9 -3.757 6.144 -5.175
70 HG11 VAL 9 HG11 VAL 9 -5.620 7.242 -4.062
71 HG12 VAL 9 HG12 VAL 9 -5.692 7.447 -5.811
72 HG13 VAL 9 HG13 VAL 9 -5.151 8.781 -4.787
73 HG21 VAL 9 HG21 VAL 9 -2.057 7.365 -6.367
74 HG22 VAL 9 HG22 VAL 9 -2.896 8.885 -6.070
75 HG23 VAL 9 HG23 VAL 9 -3.625 7.666 -7.116
76 H GLY 10 H GLY 10 -4.125 8.626 -1.827
77 HA2 GLY 10 HA2 GLY 10 -3.738 11.352 -2.524
78 HA3 GLY 10 HA3 GLY 10 -4.220 10.749 -0.941
79 H TYR 11 H TYR 11 -1.746 8.977 -1.080
80 HA TYR 11 HA TYR 11 0.175 10.993 -0.187
81 HB2 TYR 11 HB2 TYR 11 0.072 7.994 0.212
82 HB3 TYR 11 HB3 TYR 11 1.407 9.003 0.758
83 HD1 TYR 11 HD1 TYR 11 -2.099 8.096 1.310
84 HD2 TYR 11 HD2 TYR 11 1.148 10.489 2.653
85 HE1 TYR 11 HE1 TYR 11 -3.309 8.555 3.397
86 HE2 TYR 11 HE2 TYR 11 -0.052 10.953 4.748
87 HH TYR 11 HH TYR 11 -2.404 10.987 5.556
88 H HIS 12 H HIS 12 1.698 8.121 -1.014
89 HA HIS 12 HA HIS 12 2.194 8.682 -3.791
90 HB2 HIS 12 HB2 HIS 12 4.532 8.987 -1.881
91 HB3 HIS 12 HB3 HIS 12 4.581 9.121 -3.629
92 HD1 HIS 12 HD1 HIS 12 3.601 11.340 -4.663
93 HD2 HIS 12 HD2 HIS 12 3.843 11.261 -0.513
94 HE1 HIS 12 HE1 HIS 12 3.361 13.734 -3.928
95 HE2 HIS 12 HE2 HIS 12 3.597 13.676 -1.420
96 H GLY 13 H GLY 13 1.965 6.588 -4.393
97 HA2 GLY 13 HA2 GLY 13 3.910 4.688 -4.096
98 HA3 GLY 13 HA3 GLY 13 2.844 4.432 -2.723
99 H TYR 14 H TYR 14 1.965 2.490 -3.324
100 HA TYR 14 HA TYR 14 0.018 2.517 -5.409
101 HB2 TYR 14 HB2 TYR 14 1.005 0.812 -6.859
102 HB3 TYR 14 HB3 TYR 14 1.981 2.269 -6.828
103 HD1 TYR 14 HD1 TYR 14 1.989 -1.261 -6.526
104 HD2 TYR 14 HD2 TYR 14 4.033 2.236 -5.217
105 HE1 TYR 14 HE1 TYR 14 3.972 -2.614 -6.012
106 HE2 TYR 14 HE2 TYR 14 6.016 0.883 -4.689
107 HH TYR 14 HH TYR 14 6.254 -2.461 -5.635
108 H CYS 15 H CYS 15 -0.670 0.135 -5.880
109 HA CYS 15 HA CYS 15 -1.213 -0.993 -3.221
110 HB2 CYS 15 HB2 CYS 15 -2.851 -1.123 -5.764
111 HB3 CYS 15 HB3 CYS 15 -3.326 -1.781 -4.201
112 H ILE 16 H ILE 16 -0.378 -2.946 -2.800
113 HA ILE 16 HA ILE 16 0.360 -4.641 -5.103
114 HB ILE 16 HB ILE 16 2.147 -5.566 -3.887
115 HG12 ILE 16 HG12 ILE 16 1.142 -4.150 -1.413
116 HG13 ILE 16 HG13 ILE 16 0.888 -5.854 -1.756
117 HG21 ILE 16 HG21 ILE 16 2.068 -2.645 -3.160
118 HG22 ILE 16 HG22 ILE 16 2.599 -3.313 -4.702
119 HG23 ILE 16 HG23 ILE 16 3.511 -3.658 -3.231
120 HD11 ILE 16 HD11 ILE 16 2.697 -5.566 -0.193
121 HD12 ILE 16 HD12 ILE 16 3.537 -4.503 -1.322
122 HD13 ILE 16 HD13 ILE 16 3.309 -6.206 -1.719
123 H ARG 17 H ARG 17 -0.195 -6.798 -5.075
124 HA ARG 17 HA ARG 17 -2.167 -7.614 -3.130
125 HB2 ARG 17 HB2 ARG 17 -2.388 -9.668 -4.454
126 HB3 ARG 17 HB3 ARG 17 -2.566 -8.242 -5.452
127 HG2 ARG 17 HG2 ARG 17 0.026 -9.751 -5.279
128 HG3 ARG 17 HG3 ARG 17 -1.256 -10.211 -6.397
129 HD2 ARG 17 HD2 ARG 17 -0.104 -8.839 -7.781
130 HD3 ARG 17 HD3 ARG 17 -1.089 -7.613 -6.990
131 HE ARG 17 HE ARG 17 1.352 -8.045 -5.588
132 HH11 ARG 17 HH11 ARG 17 0.014 -6.488 -8.420
133 HH12 ARG 17 HH12 ARG 17 1.270 -5.297 -8.521
134 HH21 ARG 17 HH21 ARG 17 3.014 -6.483 -5.711
135 HH22 ARG 17 HH22 ARG 17 2.983 -5.294 -6.975
136 H SER 18 H SER 18 -0.920 -7.540 -1.309
137 HA SER 18 HA SER 18 0.117 -9.939 -0.377
138 HB2 SER 18 HB2 SER 18 2.054 -9.440 -1.852
139 HB3 SER 18 HB3 SER 18 2.261 -7.890 -1.040
140 HG SER 18 HG SER 18 3.332 -10.164 -0.361
141 H LYS 19 H LYS 19 1.017 -9.623 1.852
142 HA LYS 19 HA LYS 19 0.095 -7.080 2.998
143 HB2 LYS 19 HB2 LYS 19 0.535 -9.741 4.368
144 HB3 LYS 19 HB3 LYS 19 -0.125 -8.290 5.111
145 HG2 LYS 19 HG2 LYS 19 -1.399 -9.728 2.796
146 HG3 LYS 19 HG3 LYS 19 -1.828 -9.984 4.485
147 HD2 LYS 19 HD2 LYS 19 -2.559 -7.710 4.709
148 HD3 LYS 19 HD3 LYS 19 -1.938 -7.306 3.109
149 HE2 LYS 19 HE2 LYS 19 -4.350 -7.566 3.040
150 HE3 LYS 19 HE3 LYS 19 -3.567 -8.829 2.097
151 HZ1 LYS 19 HZ1 LYS 19 -4.574 -9.171 4.827
152 HZ2 LYS 19 HZ2 LYS 19 -3.930 -10.337 3.896
153 HZ3 LYS 19 HZ3 LYS 19 -5.349 -9.663 3.484
154 H VAL 20 H VAL 20 2.766 -8.294 1.812
155 HA VAL 20 HA VAL 20 4.494 -7.071 3.867
156 HB VAL 20 HB VAL 20 5.204 -9.320 1.966
157 HG11 VAL 20 HG11 VAL 20 7.357 -9.369 3.143
158 HG12 VAL 20 HG12 VAL 20 6.879 -7.938 4.057
159 HG13 VAL 20 HG13 VAL 20 7.096 -7.837 2.309
160 HG21 VAL 20 HG21 VAL 20 3.817 -10.088 3.804
161 HG22 VAL 20 HG22 VAL 20 4.884 -9.299 4.966
162 HG23 VAL 20 HG23 VAL 20 5.472 -10.659 4.010
163 H CYS 21 H CYS 21 5.282 -5.185 3.179
164 HA CYS 21 HA CYS 21 5.176 -4.556 0.348
165 HB2 CYS 21 HB2 CYS 21 5.597 -2.917 2.833
166 HB3 CYS 21 HB3 CYS 21 5.889 -2.245 1.231
167 HA PRO 22 HA PRO 22 9.574 -5.036 -0.256
168 HB2 PRO 22 HB2 PRO 22 9.686 -3.789 -2.662
169 HB3 PRO 22 HB3 PRO 22 9.147 -5.463 -2.465
170 HG2 PRO 22 HG2 PRO 22 7.555 -2.984 -2.884
171 HG3 PRO 22 HG3 PRO 22 7.256 -4.629 -3.467
172 HD2 PRO 22 HD2 PRO 22 5.955 -3.482 -1.339
173 HD3 PRO 22 HD3 PRO 22 6.149 -5.229 -1.567
174 H LYS 23 H LYS 23 11.389 -3.708 -0.071
175 HA LYS 23 HA LYS 23 10.839 -1.041 0.836
176 HB2 LYS 23 HB2 LYS 23 13.231 -0.988 1.384
177 HB3 LYS 23 HB3 LYS 23 12.418 -2.403 2.042
178 HG2 LYS 23 HG2 LYS 23 13.266 -3.632 -0.029
179 HG3 LYS 23 HG3 LYS 23 14.344 -2.248 -0.243
180 HD2 LYS 23 HD2 LYS 23 15.188 -2.583 2.031
181 HD3 LYS 23 HD3 LYS 23 14.132 -3.984 2.199
182 HE2 LYS 23 HE2 LYS 23 16.370 -4.722 1.674
183 HE3 LYS 23 HE3 LYS 23 15.299 -5.061 0.317
184 HZ1 LYS 23 HZ1 LYS 23 16.165 -3.109 -0.768
185 HZ2 LYS 23 HZ2 LYS 23 17.374 -4.129 -0.408
186 HZ3 LYS 23 HZ3 LYS 23 17.152 -2.792 0.490
187 HA PRO 24 HA PRO 24 11.804 0.549 1.253
188 HB2 PRO 24 HB2 PRO 24 12.022 3.179 0.915
189 HB3 PRO 24 HB3 PRO 24 13.443 2.136 0.809
190 HG2 PRO 24 HG2 PRO 24 11.879 3.441 -1.365
191 HG3 PRO 24 HG3 PRO 24 13.620 3.136 -1.264
192 HD2 PRO 24 HD2 PRO 24 11.714 1.574 -2.637
193 HD3 PRO 24 HD3 PRO 24 13.393 1.129 -2.287
194 H PHE 25 H PHE 25 9.694 0.162 1.731
195 HA PHE 25 HA PHE 25 7.808 2.309 1.315
196 HB2 PHE 25 HB2 PHE 25 7.383 -0.427 0.132
197 HB3 PHE 25 HB3 PHE 25 6.022 0.571 0.618
198 HD1 PHE 25 HD1 PHE 25 5.749 2.828 -0.428
199 HD2 PHE 25 HD2 PHE 25 8.451 -0.084 -1.949
200 HE1 PHE 25 HE1 PHE 25 5.777 4.005 -2.579
201 HE2 PHE 25 HE2 PHE 25 8.498 1.091 -4.111
202 HZ PHE 25 HZ PHE 25 7.160 3.137 -4.428
203 H ALA 26 H ALA 26 5.924 2.090 2.665
204 HA ALA 26 HA ALA 26 6.344 0.243 4.924
205 HB1 ALA 26 HB1 ALA 26 4.968 2.935 4.917
206 HB2 ALA 26 HB2 ALA 26 6.585 2.605 5.543
207 HB3 ALA 26 HB3 ALA 26 5.176 1.881 6.318
208 H ALA 27 H ALA 27 4.562 -0.876 5.735
209 HA ALA 27 HA ALA 27 2.462 -1.401 3.858
210 HB1 ALA 27 HB1 ALA 27 2.769 -2.353 6.705
211 HB2 ALA 27 HB2 ALA 27 3.403 -3.171 5.277
212 HB3 ALA 27 HB3 ALA 27 1.661 -3.008 5.500
213 H PHE 28 H PHE 28 1.340 0.486 3.600
214 HA PHE 28 HA PHE 28 0.279 1.917 5.884
215 HB2 PHE 28 HB2 PHE 28 1.166 3.084 3.867
216 HB3 PHE 28 HB3 PHE 28 -0.130 2.379 2.915
217 HD1 PHE 28 HD1 PHE 28 0.890 5.132 4.894
218 HD2 PHE 28 HD2 PHE 28 -2.542 2.955 3.635
219 HE1 PHE 28 HE1 PHE 28 -0.528 7.059 5.435
220 HE2 PHE 28 HE2 PHE 28 -3.967 4.881 4.170
221 HZ PHE 28 HZ PHE 28 -2.963 6.938 5.067
222 H GLY 29 H GLY 29 -1.183 0.466 6.814
223 HA2 GLY 29 HA2 GLY 29 -3.240 -0.464 7.167
224 HA3 GLY 29 HA3 GLY 29 -3.822 0.862 6.178
225 H THR 30 H THR 30 -4.752 0.408 4.323
226 HA THR 30 HA THR 30 -4.173 -2.099 2.945
227 HB THR 30 HB THR 30 -6.657 -2.427 2.577
228 HG1 THR 30 HG1 THR 30 -7.858 -0.860 3.359
229 HG21 THR 30 HG21 THR 30 -5.366 -3.875 4.043
230 HG22 THR 30 HG22 THR 30 -6.970 -3.592 4.726
231 HG23 THR 30 HG23 THR 30 -5.567 -2.735 5.375
232 H CYS 31 H CYS 31 -4.896 -2.106 0.793
233 HA CYS 31 HA CYS 31 -5.443 0.536 -0.374
234 HB2 CYS 31 HB2 CYS 31 -3.552 -1.509 -1.079
235 HB3 CYS 31 HB3 CYS 31 -4.705 -1.290 -2.393
236 H SER 32 H SER 32 -6.347 -0.499 -2.882
237 HA SER 32 HA SER 32 -8.938 -0.911 -2.831
238 HB2 SER 32 HB2 SER 32 -7.243 -2.827 -4.385
239 HB3 SER 32 HB3 SER 32 -8.732 -2.030 -4.881
240 HG SER 32 HG SER 32 -6.413 -1.228 -5.525
241 H TRP 33 H TRP 33 -10.051 -1.936 -1.288
242 HA TRP 33 HA TRP 33 -10.927 -3.517 0.056
243 HB2 TRP 33 HB2 TRP 33 -9.788 -5.480 -1.945
244 HB3 TRP 33 HB3 TRP 33 -11.127 -5.762 -0.835
245 HD1 TRP 33 HD1 TRP 33 -10.624 -5.081 -4.324
246 HE1 TRP 33 HE1 TRP 33 -12.666 -3.949 -5.414
247 HE3 TRP 33 HE3 TRP 33 -13.093 -3.611 -0.093
248 HZ2 TRP 33 HZ2 TRP 33 -15.004 -2.605 -4.582
249 HZ3 TRP 33 HZ3 TRP 33 -15.220 -2.404 -0.333
250 HH2 TRP 33 HH2 TRP 33 -16.150 -1.914 -2.538
251 H ARG 34 H ARG 34 -10.400 -5.507 1.436
252 HA ARG 34 HA ARG 34 -7.895 -4.973 2.734
253 HB2 ARG 34 HB2 ARG 34 -8.603 -6.622 4.391
254 HB3 ARG 34 HB3 ARG 34 -9.893 -5.480 4.050
255 HG2 ARG 34 HG2 ARG 34 -11.006 -7.119 2.648
256 HG3 ARG 34 HG3 ARG 34 -9.688 -8.261 2.915
257 HD2 ARG 34 HD2 ARG 34 -11.518 -7.135 5.033
258 HD3 ARG 34 HD3 ARG 34 -11.604 -8.757 4.349
259 HE ARG 34 HE ARG 34 -9.034 -8.227 5.445
260 HH11 ARG 34 HH11 ARG 34 -12.307 -9.089 6.323
261 HH12 ARG 34 HH12 ARG 34 -11.840 -9.876 7.798
262 HH21 ARG 34 HH21 ARG 34 -8.414 -9.251 7.396
263 HH22 ARG 34 HH22 ARG 34 -9.629 -9.966 8.407
264 H GLN 35 H GLN 35 -7.832 -6.091 0.034
265 HA GLN 35 HA GLN 35 -6.553 -8.699 0.463
266 HB2 GLN 35 HB2 GLN 35 -7.367 -7.400 -2.139
267 HB3 GLN 35 HB3 GLN 35 -6.903 -9.078 -1.888
268 HG2 GLN 35 HG2 GLN 35 -9.315 -7.810 -0.626
269 HG3 GLN 35 HG3 GLN 35 -9.349 -8.667 -2.158
270 HE21 GLN 35 HE21 GLN 35 -10.711 -9.267 0.340
271 HE22 GLN 35 HE22 GLN 35 -10.213 -10.863 0.788
272 H LYS 36 H LYS 36 -6.139 -5.496 -0.935
273 HA LYS 36 HA LYS 36 -3.308 -6.087 -1.456
274 HB2 LYS 36 HB2 LYS 36 -4.689 -3.581 -2.365
275 HB3 LYS 36 HB3 LYS 36 -3.299 -4.379 -3.050
276 HG2 LYS 36 HG2 LYS 36 -5.925 -5.770 -3.105
277 HG3 LYS 36 HG3 LYS 36 -5.611 -4.457 -4.242
278 HD2 LYS 36 HD2 LYS 36 -3.704 -6.740 -3.873
279 HD3 LYS 36 HD3 LYS 36 -5.050 -6.817 -5.009
280 HE2 LYS 36 HE2 LYS 36 -3.127 -4.522 -5.042
281 HE3 LYS 36 HE3 LYS 36 -2.755 -6.027 -5.865
282 HZ1 LYS 36 HZ1 LYS 36 -3.806 -4.485 -7.347
283 HZ2 LYS 36 HZ2 LYS 36 -5.094 -4.338 -6.369
284 HZ3 LYS 36 HZ3 LYS 36 -4.802 -5.751 -7.111
285 H THR 37 H THR 37 -1.736 -4.980 -0.375
286 HA THR 37 HA THR 37 -2.615 -3.149 1.736
287 HB THR 37 HB THR 37 0.118 -4.385 1.280
288 HG1 THR 37 HG1 THR 37 -1.056 -6.062 1.952
289 HG21 THR 37 HG21 THR 37 -1.004 -2.901 3.662
290 HG22 THR 37 HG22 THR 37 0.231 -2.301 2.553
291 HG23 THR 37 HG23 THR 37 0.576 -3.687 3.589
292 H CYS 38 H CYS 38 -1.855 -1.028 1.840
293 HA CYS 38 HA CYS 38 -0.968 0.094 -0.664
294 HB2 CYS 38 HB2 CYS 38 -2.580 1.382 0.539
295 HB3 CYS 38 HB3 CYS 38 -1.626 1.315 2.017
296 H CYS 39 H CYS 39 1.051 0.614 -1.187
297 HA CYS 39 HA CYS 39 3.070 0.513 0.947
298 HB2 CYS 39 HB2 CYS 39 3.344 -0.177 -1.983
299 HB3 CYS 39 HB3 CYS 39 4.684 -0.119 -0.840
300 H VAL 40 H VAL 40 3.623 2.474 1.497
301 HA VAL 40 HA VAL 40 4.261 4.420 -0.598
302 HB VAL 40 HB VAL 40 3.323 6.217 0.962
303 HG11 VAL 40 HG11 VAL 40 1.330 4.310 -0.257
304 HG12 VAL 40 HG12 VAL 40 2.271 5.501 -1.162
305 HG13 VAL 40 HG13 VAL 40 1.099 6.035 0.049
306 HG21 VAL 40 HG21 VAL 40 3.074 4.745 2.923
307 HG22 VAL 40 HG22 VAL 40 1.821 3.853 2.056
308 HG23 VAL 40 HG23 VAL 40 1.566 5.548 2.478
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 -13.282 4.874 -6.397
2 H2 LEU 1 H2 LEU 1 -13.799 3.764 -7.465
3 H3 LEU 1 H3 LEU 1 -12.631 4.809 -7.890
4 HA LEU 1 HA LEU 1 -11.713 2.652 -7.461
5 HB2 LEU 1 HB2 LEU 1 -11.024 4.884 -5.560
6 HB3 LEU 1 HB3 LEU 1 -10.119 3.386 -5.600
7 HG LEU 1 HG LEU 1 -10.433 5.265 -7.945
8 HD11 LEU 1 HD11 LEU 1 -9.108 6.249 -6.131
9 HD12 LEU 1 HD12 LEU 1 -8.116 5.872 -7.539
10 HD13 LEU 1 HD13 LEU 1 -8.072 4.822 -6.122
11 HD21 LEU 1 HD21 LEU 1 -8.644 3.908 -8.938
12 HD22 LEU 1 HD22 LEU 1 -10.092 2.952 -8.626
13 HD23 LEU 1 HD23 LEU 1 -8.702 2.825 -7.549
14 HA PRO 2 HA PRO 2 -13.127 -0.438 -4.690
15 HB2 PRO 2 HB2 PRO 2 -10.457 0.103 -3.445
16 HB3 PRO 2 HB3 PRO 2 -11.261 -1.444 -3.707
17 HG2 PRO 2 HG2 PRO 2 -9.397 -0.488 -5.403
18 HG3 PRO 2 HG3 PRO 2 -10.765 -1.470 -5.957
19 HD2 PRO 2 HD2 PRO 2 -10.205 1.341 -6.457
20 HD3 PRO 2 HD3 PRO 2 -11.451 0.309 -7.184
21 H ARG 3 H ARG 3 -11.002 1.259 -2.414
22 HA ARG 3 HA ARG 3 -13.135 2.478 -0.993
23 HB2 ARG 3 HB2 ARG 3 -12.907 1.070 1.089
24 HB3 ARG 3 HB3 ARG 3 -13.730 0.327 -0.260
25 HG2 ARG 3 HG2 ARG 3 -12.364 -1.394 -0.200
26 HG3 ARG 3 HG3 ARG 3 -10.968 -0.344 -0.407
27 HD2 ARG 3 HD2 ARG 3 -10.798 -1.680 1.635
28 HD3 ARG 3 HD3 ARG 3 -10.880 0.045 1.991
29 HE ARG 3 HE ARG 3 -13.372 -1.479 2.098
30 HH11 ARG 3 HH11 ARG 3 -10.748 0.098 3.799
31 HH12 ARG 3 HH12 ARG 3 -11.604 0.157 5.313
32 HH21 ARG 3 HH21 ARG 3 -14.495 -1.409 4.089
33 HH22 ARG 3 HH22 ARG 3 -13.737 -0.702 5.478
34 H ASP 4 H ASP 4 -9.859 1.131 -0.428
35 HA ASP 4 HA ASP 4 -9.233 3.595 1.038
36 HB2 ASP 4 HB2 ASP 4 -7.960 0.861 1.137
37 HB3 ASP 4 HB3 ASP 4 -7.257 2.277 1.906
38 H THR 5 H THR 5 -8.774 2.167 -1.929
39 HA THR 5 HA THR 5 -6.163 2.620 -2.653
40 HB THR 5 HB THR 5 -8.480 3.269 -4.457
41 HG1 THR 5 HG1 THR 5 -7.666 0.674 -4.547
42 HG21 THR 5 HG21 THR 5 -6.217 3.644 -5.340
43 HG22 THR 5 HG22 THR 5 -7.032 2.324 -6.179
44 HG23 THR 5 HG23 THR 5 -5.801 1.970 -4.968
45 H SER 6 H SER 6 -8.849 4.971 -2.759
46 HA SER 6 HA SER 6 -7.400 7.047 -3.979
47 HB2 SER 6 HB2 SER 6 -9.762 7.329 -2.106
48 HB3 SER 6 HB3 SER 6 -9.242 8.483 -3.334
49 HG SER 6 HG SER 6 -10.042 7.245 -4.881
50 H ARG 7 H ARG 7 -7.758 6.089 -0.635
51 HA ARG 7 HA ARG 7 -6.519 8.340 0.544
52 HB2 ARG 7 HB2 ARG 7 -7.817 6.769 1.870
53 HB3 ARG 7 HB3 ARG 7 -6.712 5.464 1.463
54 HG2 ARG 7 HG2 ARG 7 -4.912 6.696 2.654
55 HG3 ARG 7 HG3 ARG 7 -6.123 7.877 3.161
56 HD2 ARG 7 HD2 ARG 7 -6.210 4.920 3.752
57 HD3 ARG 7 HD3 ARG 7 -5.688 6.170 4.885
58 HE ARG 7 HE ARG 7 -8.188 6.944 4.112
59 HH11 ARG 7 HH11 ARG 7 -6.812 4.086 5.576
60 HH12 ARG 7 HH12 ARG 7 -8.280 3.628 6.374
61 HH21 ARG 7 HH21 ARG 7 -10.126 6.355 5.178
62 HH22 ARG 7 HH22 ARG 7 -10.167 4.913 6.139
63 H CYS 8 H CYS 8 -5.299 5.204 -0.546
64 HA CYS 8 HA CYS 8 -2.635 5.546 0.266
65 HB2 CYS 8 HB2 CYS 8 -3.547 3.371 -0.291
66 HB3 CYS 8 HB3 CYS 8 -3.811 3.874 -1.959
67 H VAL 9 H VAL 9 -4.257 6.291 -2.795
68 HA VAL 9 HA VAL 9 -1.779 7.143 -4.019
69 HB VAL 9 HB VAL 9 -3.600 6.066 -5.338
70 HG11 VAL 9 HG11 VAL 9 -5.528 6.999 -4.262
71 HG12 VAL 9 HG12 VAL 9 -5.569 7.377 -5.983
72 HG13 VAL 9 HG13 VAL 9 -5.101 8.617 -4.818
73 HG21 VAL 9 HG21 VAL 9 -1.953 7.390 -6.506
74 HG22 VAL 9 HG22 VAL 9 -2.875 8.860 -6.195
75 HG23 VAL 9 HG23 VAL 9 -3.533 7.614 -7.258
76 H GLY 10 H GLY 10 -4.070 8.540 -1.969
77 HA2 GLY 10 HA2 GLY 10 -3.737 11.271 -2.636
78 HA3 GLY 10 HA3 GLY 10 -4.136 10.646 -1.038
79 H TYR 11 H TYR 11 -1.772 8.920 -1.025
80 HA TYR 11 HA TYR 11 0.235 10.892 -0.290
81 HB2 TYR 11 HB2 TYR 11 0.104 7.889 0.087
82 HB3 TYR 11 HB3 TYR 11 1.454 8.884 0.619
83 HD1 TYR 11 HD1 TYR 11 -2.060 8.028 1.203
84 HD2 TYR 11 HD2 TYR 11 1.253 10.328 2.545
85 HE1 TYR 11 HE1 TYR 11 -3.237 8.479 3.310
86 HE2 TYR 11 HE2 TYR 11 0.088 10.785 4.661
87 HH TYR 11 HH TYR 11 -2.635 9.086 5.664
88 H HIS 12 H HIS 12 1.787 8.077 -1.126
89 HA HIS 12 HA HIS 12 2.234 8.612 -3.916
90 HB2 HIS 12 HB2 HIS 12 4.548 9.077 -2.006
91 HB3 HIS 12 HB3 HIS 12 4.616 9.144 -3.757
92 HD1 HIS 12 HD1 HIS 12 3.875 11.324 -4.886
93 HD2 HIS 12 HD2 HIS 12 3.430 11.330 -0.750
94 HE1 HIS 12 HE1 HIS 12 3.420 13.716 -4.260
95 HE2 HIS 12 HE2 HIS 12 3.005 13.672 -1.773
96 H GLY 13 H GLY 13 2.104 6.484 -4.489
97 HA2 GLY 13 HA2 GLY 13 4.203 4.727 -4.078
98 HA3 GLY 13 HA3 GLY 13 3.041 4.385 -2.808
99 H TYR 14 H TYR 14 2.106 2.525 -3.362
100 HA TYR 14 HA TYR 14 0.344 2.463 -5.579
101 HB2 TYR 14 HB2 TYR 14 1.372 0.634 -6.856
102 HB3 TYR 14 HB3 TYR 14 2.346 2.090 -6.891
103 HD1 TYR 14 HD1 TYR 14 4.417 2.186 -5.417
104 HD2 TYR 14 HD2 TYR 14 2.258 -1.412 -6.123
105 HE1 TYR 14 HE1 TYR 14 6.381 0.878 -4.730
106 HE2 TYR 14 HE2 TYR 14 4.213 -2.733 -5.434
107 HH TYR 14 HH TYR 14 6.964 -1.292 -3.929
108 H CYS 15 H CYS 15 -0.482 0.158 -5.926
109 HA CYS 15 HA CYS 15 -0.998 -0.934 -3.243
110 HB2 CYS 15 HB2 CYS 15 -2.689 -0.962 -5.750
111 HB3 CYS 15 HB3 CYS 15 -3.130 -1.751 -4.240
112 H ILE 16 H ILE 16 -0.551 -3.025 -2.809
113 HA ILE 16 HA ILE 16 0.122 -4.764 -5.098
114 HB ILE 16 HB ILE 16 1.816 -5.857 -3.834
115 HG12 ILE 16 HG12 ILE 16 1.013 -4.104 -1.512
116 HG13 ILE 16 HG13 ILE 16 0.684 -5.822 -1.656
117 HG21 ILE 16 HG21 ILE 16 3.424 -4.072 -3.441
118 HG22 ILE 16 HG22 ILE 16 2.116 -2.888 -3.450
119 HG23 ILE 16 HG23 ILE 16 2.501 -3.788 -4.916
120 HD11 ILE 16 HD11 ILE 16 2.535 -5.489 -0.181
121 HD12 ILE 16 HD12 ILE 16 3.383 -4.529 -1.394
122 HD13 ILE 16 HD13 ILE 16 3.108 -6.250 -1.663
123 H ARG 17 H ARG 17 -0.643 -6.830 -5.044
124 HA ARG 17 HA ARG 17 -2.421 -7.580 -2.882
125 HB2 ARG 17 HB2 ARG 17 -2.355 -9.816 -4.383
126 HB3 ARG 17 HB3 ARG 17 -3.441 -8.475 -4.685
127 HG2 ARG 17 HG2 ARG 17 -2.509 -9.182 -6.757
128 HG3 ARG 17 HG3 ARG 17 -1.834 -7.610 -6.362
129 HD2 ARG 17 HD2 ARG 17 -0.291 -9.976 -5.485
130 HD3 ARG 17 HD3 ARG 17 -0.369 -9.689 -7.218
131 HE ARG 17 HE ARG 17 0.823 -7.882 -5.218
132 HH11 ARG 17 HH11 ARG 17 0.302 -8.797 -8.560
133 HH12 ARG 17 HH12 ARG 17 1.590 -7.804 -9.161
134 HH21 ARG 17 HH21 ARG 17 2.538 -6.598 -6.011
135 HH22 ARG 17 HH22 ARG 17 2.855 -6.550 -7.715
136 H SER 18 H SER 18 -1.021 -7.700 -1.185
137 HA SER 18 HA SER 18 0.181 -10.154 -0.589
138 HB2 SER 18 HB2 SER 18 1.913 -9.418 -2.202
139 HB3 SER 18 HB3 SER 18 2.128 -7.928 -1.289
140 HG SER 18 HG SER 18 3.198 -10.375 -0.865
141 H LYS 19 H LYS 19 1.605 -9.816 1.481
142 HA LYS 19 HA LYS 19 0.335 -7.684 3.067
143 HB2 LYS 19 HB2 LYS 19 1.374 -10.388 3.935
144 HB3 LYS 19 HB3 LYS 19 0.777 -9.153 5.033
145 HG2 LYS 19 HG2 LYS 19 -1.041 -9.942 2.848
146 HG3 LYS 19 HG3 LYS 19 -0.730 -11.157 4.087
147 HD2 LYS 19 HD2 LYS 19 -2.701 -9.843 4.648
148 HD3 LYS 19 HD3 LYS 19 -1.413 -9.556 5.818
149 HE2 LYS 19 HE2 LYS 19 -0.840 -7.475 4.636
150 HE3 LYS 19 HE3 LYS 19 -2.168 -7.760 3.512
151 HZ1 LYS 19 HZ1 LYS 19 -2.747 -6.248 5.305
152 HZ2 LYS 19 HZ2 LYS 19 -2.484 -7.410 6.408
153 HZ3 LYS 19 HZ3 LYS 19 -3.687 -7.576 5.326
154 H VAL 20 H VAL 20 3.174 -8.542 1.629
155 HA VAL 20 HA VAL 20 4.779 -7.108 3.645
156 HB VAL 20 HB VAL 20 5.765 -9.214 1.712
157 HG11 VAL 20 HG11 VAL 20 7.193 -7.772 3.945
158 HG12 VAL 20 HG12 VAL 20 7.448 -7.522 2.218
159 HG13 VAL 20 HG13 VAL 20 7.866 -9.068 2.957
160 HG21 VAL 20 HG21 VAL 20 5.325 -9.369 4.692
161 HG22 VAL 20 HG22 VAL 20 6.091 -10.611 3.705
162 HG23 VAL 20 HG23 VAL 20 4.393 -10.210 3.453
163 H CYS 21 H CYS 21 5.457 -5.193 2.989
164 HA CYS 21 HA CYS 21 5.377 -4.537 0.153
165 HB2 CYS 21 HB2 CYS 21 5.575 -2.872 2.658
166 HB3 CYS 21 HB3 CYS 21 5.809 -2.183 1.055
167 HA PRO 22 HA PRO 22 9.823 -4.788 -0.237
168 HB2 PRO 22 HB2 PRO 22 9.987 -3.344 -2.551
169 HB3 PRO 22 HB3 PRO 22 9.566 -5.059 -2.490
170 HG2 PRO 22 HG2 PRO 22 7.791 -2.678 -2.775
171 HG3 PRO 22 HG3 PRO 22 7.682 -4.265 -3.553
172 HD2 PRO 22 HD2 PRO 22 6.121 -3.554 -1.460
173 HD3 PRO 22 HD3 PRO 22 6.641 -5.227 -1.747
174 H LYS 23 H LYS 23 11.618 -3.326 -0.187
175 HA LYS 23 HA LYS 23 10.840 -0.791 1.032
176 HB2 LYS 23 HB2 LYS 23 13.292 -2.506 1.279
177 HB3 LYS 23 HB3 LYS 23 13.328 -0.812 1.760
178 HG2 LYS 23 HG2 LYS 23 12.919 -2.214 3.679
179 HG3 LYS 23 HG3 LYS 23 11.497 -1.233 3.338
180 HD2 LYS 23 HD2 LYS 23 10.519 -3.199 2.150
181 HD3 LYS 23 HD3 LYS 23 11.894 -4.154 2.708
182 HE2 LYS 23 HE2 LYS 23 11.281 -3.775 5.007
183 HE3 LYS 23 HE3 LYS 23 9.996 -2.671 4.520
184 HZ1 LYS 23 HZ1 LYS 23 8.918 -4.534 3.442
185 HZ2 LYS 23 HZ2 LYS 23 9.122 -4.825 5.029
186 HZ3 LYS 23 HZ3 LYS 23 10.093 -5.544 3.945
187 HA PRO 24 HA PRO 24 11.793 0.767 1.745
188 HB2 PRO 24 HB2 PRO 24 11.996 3.411 1.608
189 HB3 PRO 24 HB3 PRO 24 13.440 2.392 1.620
190 HG2 PRO 24 HG2 PRO 24 12.118 3.782 -0.667
191 HG3 PRO 24 HG3 PRO 24 13.844 3.564 -0.335
192 HD2 PRO 24 HD2 PRO 24 12.289 2.005 -2.067
193 HD3 PRO 24 HD3 PRO 24 13.887 1.576 -1.431
194 H PHE 25 H PHE 25 9.696 0.325 1.951
195 HA PHE 25 HA PHE 25 7.796 2.442 1.493
196 HB2 PHE 25 HB2 PHE 25 7.520 -0.263 0.187
197 HB3 PHE 25 HB3 PHE 25 6.116 0.707 0.588
198 HD1 PHE 25 HD1 PHE 25 8.862 0.241 -1.738
199 HD2 PHE 25 HD2 PHE 25 5.760 2.869 -0.501
200 HE1 PHE 25 HE1 PHE 25 9.032 1.446 -3.877
201 HE2 PHE 25 HE2 PHE 25 5.914 4.083 -2.628
202 HZ PHE 25 HZ PHE 25 7.560 3.371 -4.326
203 H ALA 26 H ALA 26 5.922 2.170 2.791
204 HA ALA 26 HA ALA 26 6.279 0.166 4.924
205 HB1 ALA 26 HB1 ALA 26 4.899 2.846 5.079
206 HB2 ALA 26 HB2 ALA 26 6.510 2.479 5.697
207 HB3 ALA 26 HB3 ALA 26 5.095 1.699 6.404
208 H ALA 27 H ALA 27 4.503 -1.007 5.620
209 HA ALA 27 HA ALA 27 2.462 -1.439 3.664
210 HB1 ALA 27 HB1 ALA 27 1.617 -3.131 5.208
211 HB2 ALA 27 HB2 ALA 27 2.704 -2.539 6.464
212 HB3 ALA 27 HB3 ALA 27 3.362 -3.282 5.008
213 H PHE 28 H PHE 28 1.351 0.451 3.467
214 HA PHE 28 HA PHE 28 0.300 1.845 5.758
215 HB2 PHE 28 HB2 PHE 28 1.164 3.017 3.741
216 HB3 PHE 28 HB3 PHE 28 -0.143 2.325 2.797
217 HD1 PHE 28 HD1 PHE 28 -2.540 2.929 3.502
218 HD2 PHE 28 HD2 PHE 28 0.908 5.054 4.809
219 HE1 PHE 28 HE1 PHE 28 -3.946 4.866 4.048
220 HE2 PHE 28 HE2 PHE 28 -0.498 6.987 5.373
221 HZ PHE 28 HZ PHE 28 -2.929 6.896 4.987
222 H GLY 29 H GLY 29 -1.098 0.338 6.691
223 HA2 GLY 29 HA2 GLY 29 -3.115 -0.657 7.095
224 HA3 GLY 29 HA3 GLY 29 -3.761 0.717 6.214
225 H THR 30 H THR 30 -4.769 0.363 4.377
226 HA THR 30 HA THR 30 -4.325 -2.132 2.928
227 HB THR 30 HB THR 30 -6.872 -2.293 2.682
228 HG1 THR 30 HG1 THR 30 -7.810 -0.621 3.666
229 HG21 THR 30 HG21 THR 30 -7.036 -3.609 4.766
230 HG22 THR 30 HG22 THR 30 -5.525 -2.879 5.323
231 HG23 THR 30 HG23 THR 30 -5.532 -3.915 3.893
232 H CYS 31 H CYS 31 -5.088 -2.143 0.851
233 HA CYS 31 HA CYS 31 -5.600 0.469 -0.395
234 HB2 CYS 31 HB2 CYS 31 -3.868 -1.769 -1.118
235 HB3 CYS 31 HB3 CYS 31 -4.933 -1.282 -2.428
236 H SER 32 H SER 32 -6.499 -0.662 -2.847
237 HA SER 32 HA SER 32 -9.099 -1.039 -2.836
238 HB2 SER 32 HB2 SER 32 -7.369 -3.050 -4.240
239 HB3 SER 32 HB3 SER 32 -8.876 -2.333 -4.800
240 HG SER 32 HG SER 32 -7.322 -1.224 -5.862
241 H TRP 33 H TRP 33 -10.262 -1.953 -1.287
242 HA TRP 33 HA TRP 33 -11.161 -3.410 0.180
243 HB2 TRP 33 HB2 TRP 33 -10.101 -5.514 -1.712
244 HB3 TRP 33 HB3 TRP 33 -11.440 -5.690 -0.579
245 HD1 TRP 33 HD1 TRP 33 -10.947 -5.213 -4.101
246 HE1 TRP 33 HE1 TRP 33 -12.964 -4.070 -5.229
247 HE3 TRP 33 HE3 TRP 33 -13.289 -3.406 0.067
248 HZ2 TRP 33 HZ2 TRP 33 -15.237 -2.582 -4.442
249 HZ3 TRP 33 HZ3 TRP 33 -15.360 -2.113 -0.206
250 HH2 TRP 33 HH2 TRP 33 -16.315 -1.718 -2.422
251 H ARG 34 H ARG 34 -10.645 -5.515 1.537
252 HA ARG 34 HA ARG 34 -8.131 -4.994 2.841
253 HB2 ARG 34 HB2 ARG 34 -8.824 -6.675 4.453
254 HB3 ARG 34 HB3 ARG 34 -10.153 -5.574 4.124
255 HG2 ARG 34 HG2 ARG 34 -11.031 -7.296 2.508
256 HG3 ARG 34 HG3 ARG 34 -9.817 -8.400 3.161
257 HD2 ARG 34 HD2 ARG 34 -11.926 -8.750 4.289
258 HD3 ARG 34 HD3 ARG 34 -10.756 -8.060 5.412
259 HE ARG 34 HE ARG 34 -12.288 -6.017 4.180
260 HH11 ARG 34 HH11 ARG 34 -12.476 -8.494 6.641
261 HH12 ARG 34 HH12 ARG 34 -13.707 -7.683 7.550
262 HH21 ARG 34 HH21 ARG 34 -13.906 -4.938 5.372
263 HH22 ARG 34 HH22 ARG 34 -14.535 -5.661 6.821
264 H GLN 35 H GLN 35 -8.133 -5.999 0.096
265 HA GLN 35 HA GLN 35 -6.904 -8.645 0.359
266 HB2 GLN 35 HB2 GLN 35 -7.766 -7.149 -2.122
267 HB3 GLN 35 HB3 GLN 35 -7.269 -8.834 -2.031
268 HG2 GLN 35 HG2 GLN 35 -9.649 -7.736 -0.575
269 HG3 GLN 35 HG3 GLN 35 -9.731 -8.431 -2.186
270 HE21 GLN 35 HE21 GLN 35 -9.211 -9.060 1.184
271 HE22 GLN 35 HE22 GLN 35 -9.355 -10.780 1.102
272 H LYS 36 H LYS 36 -6.394 -5.376 -0.852
273 HA LYS 36 HA LYS 36 -3.613 -6.084 -1.472
274 HB2 LYS 36 HB2 LYS 36 -5.016 -3.568 -2.361
275 HB3 LYS 36 HB3 LYS 36 -3.543 -4.271 -3.002
276 HG2 LYS 36 HG2 LYS 36 -4.974 -6.233 -3.740
277 HG3 LYS 36 HG3 LYS 36 -6.370 -5.214 -3.375
278 HD2 LYS 36 HD2 LYS 36 -5.874 -5.029 -5.716
279 HD3 LYS 36 HD3 LYS 36 -5.455 -3.507 -4.930
280 HE2 LYS 36 HE2 LYS 36 -3.127 -4.039 -4.976
281 HE3 LYS 36 HE3 LYS 36 -3.452 -5.687 -5.521
282 HZ1 LYS 36 HZ1 LYS 36 -3.975 -3.239 -7.060
283 HZ2 LYS 36 HZ2 LYS 36 -4.306 -4.746 -7.565
284 HZ3 LYS 36 HZ3 LYS 36 -2.764 -4.291 -7.331
285 H THR 37 H THR 37 -1.952 -4.952 -0.582
286 HA THR 37 HA THR 37 -2.627 -3.203 1.677
287 HB THR 37 HB THR 37 0.016 -4.526 0.982
288 HG1 THR 37 HG1 THR 37 -0.944 -6.234 1.771
289 HG21 THR 37 HG21 THR 37 -0.896 -3.141 3.509
290 HG22 THR 37 HG22 THR 37 0.295 -2.526 2.362
291 HG23 THR 37 HG23 THR 37 0.639 -3.984 3.295
292 H CYS 38 H CYS 38 -1.752 -1.107 1.801
293 HA CYS 38 HA CYS 38 -0.908 0.020 -0.733
294 HB2 CYS 38 HB2 CYS 38 -2.516 1.317 0.475
295 HB3 CYS 38 HB3 CYS 38 -1.553 1.246 1.949
296 H CYS 39 H CYS 39 1.115 0.651 -1.227
297 HA CYS 39 HA CYS 39 3.126 0.477 0.917
298 HB2 CYS 39 HB2 CYS 39 3.497 -0.134 -2.023
299 HB3 CYS 39 HB3 CYS 39 4.755 -0.206 -0.788
300 H VAL 40 H VAL 40 3.669 2.441 1.479
301 HA VAL 40 HA VAL 40 4.376 4.381 -0.594
302 HB VAL 40 HB VAL 40 3.367 6.194 0.873
303 HG11 VAL 40 HG11 VAL 40 2.362 5.426 -1.248
304 HG12 VAL 40 HG12 VAL 40 1.155 5.958 -0.074
305 HG13 VAL 40 HG13 VAL 40 1.425 4.235 -0.343
306 HG21 VAL 40 HG21 VAL 40 3.087 4.819 2.880
307 HG22 VAL 40 HG22 VAL 40 1.883 3.851 2.026
308 HG23 VAL 40 HG23 VAL 40 1.570 5.555 2.364