NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
628027 |
6gdz   |
34264 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H1 HIS 1 -7.716 7.089 5.605
2 H2 HIS 1 H2 HIS 1 -7.287 8.089 4.254
3 H3 HIS 1 H3 HIS 1 -8.629 8.529 5.287
4 HA HIS 1 HA HIS 1 -8.524 6.109 3.473
5 HB2 HIS 1 HB2 HIS 1 -10.887 7.242 5.071
6 HB3 HIS 1 HB3 HIS 1 -10.876 5.759 4.093
7 HD1 HIS 1 HD1 HIS 1 -8.483 4.261 5.073
8 HD2 HIS 1 HD2 HIS 1 -11.088 6.418 7.568
9 HE1 HIS 1 HE1 HIS 1 -8.222 3.247 7.362
10 H AIB 2 H AIB 2 -10.439 6.306 1.799
11 HB11 AIB 2 H31 AIB 2 -12.751 6.914 0.770
12 HB12 AIB 2 H32 AIB 2 -12.556 7.962 -0.656
13 HB13 AIB 2 H33 AIB 2 -11.573 6.481 -0.486
14 HB21 AIB 2 H21 AIB 2 -9.336 7.663 -0.616
15 HB22 AIB 2 H22 AIB 2 -10.291 9.115 -1.040
16 HB23 AIB 2 H23 AIB 2 -9.078 9.186 0.270
17 H GLN 3 H GLN 3 -12.529 8.156 2.885
18 HA GLN 3 HA GLN 3 -13.675 10.720 2.562
19 HB2 GLN 3 H42 GLN 3 -14.649 9.127 4.143
20 HB3 GLN 3 H43 GLN 3 -13.162 9.098 5.129
21 HG2 GLN 3 H32 GLN 3 -13.506 11.465 5.796
22 HG3 GLN 3 H33 GLN 3 -14.877 11.622 4.673
23 HE21 GLN 3 H61 GLN 3 -15.416 9.328 8.119
24 HE22 GLN 3 H62 GLN 3 -13.836 9.408 7.445
25 H GLY 4 H GLY 4 -10.767 9.728 4.583
26 HA2 GLY 4 HA2 GLY 4 -10.102 12.078 5.728
27 HA3 GLY 4 HA3 GLY 4 -8.859 11.034 5.011
28 H THR 5 H THR 5 -9.284 11.217 2.262
29 HA THR 5 HA THR 5 -8.023 13.702 1.695
30 HB THR 5 HB THR 5 -9.537 11.880 -0.260
31 HG1 THR 5 HG1 THR 5 -7.340 11.018 -0.495
32 HG21 THR 5 HG21 THR 5 -8.026 12.947 -1.985
33 HG22 THR 5 HG22 THR 5 -9.030 14.191 -1.197
34 HG23 THR 5 HG23 THR 5 -7.322 13.974 -0.714
35 H PHE 6 H PHE 6 -11.497 12.604 1.166
36 HA PHE 6 HA PHE 6 -12.136 15.176 0.002
37 HB2 PHE 6 HB2 PHE 6 -13.898 12.818 0.794
38 HB3 PHE 6 HB3 PHE 6 -14.562 14.423 0.438
39 HD1 PHE 6 HD1 PHE 6 -15.756 13.525 -1.533
40 HD2 PHE 6 HD2 PHE 6 -11.479 13.149 -1.370
41 HE1 PHE 6 HE1 PHE 6 -15.668 13.308 -3.990
42 HE2 PHE 6 HE2 PHE 6 -11.406 12.968 -3.811
43 HZ PHE 6 HZ PHE 6 -13.484 13.079 -5.146
44 H THR 7 H THR 7 -13.125 13.779 3.289
45 HA THR 7 HA THR 7 -14.378 16.135 4.026
46 HB THR 7 HB THR 7 -14.410 14.055 5.423
47 HG1 THR 7 HG1 THR 7 -14.605 15.378 7.362
48 HG21 THR 7 HG21 THR 7 -11.895 13.668 5.552
49 HG22 THR 7 HG22 THR 7 -11.730 15.142 6.545
50 HG23 THR 7 HG23 THR 7 -12.627 13.750 7.172
51 H SER 8 H SER 8 -10.806 15.466 4.057
52 HA SER 8 HA SER 8 -10.253 17.854 5.534
53 HB2 SER 8 HB2 SER 8 -7.939 17.668 4.862
54 HB3 SER 8 HB3 SER 8 -8.549 16.073 5.343
55 HG SER 8 HG SER 8 -8.676 15.632 3.004
56 H ASP 9 H ASP 9 -10.407 17.064 1.946
57 HA ASP 9 HA ASP 9 -9.598 19.681 1.102
58 HB2 ASP 9 HB2 ASP 9 -9.709 17.622 -0.387
59 HB3 ASP 9 HB3 ASP 9 -11.473 17.696 -0.328
60 H LEU 10 H LEU 10 -12.858 18.212 1.721
61 HA LEU 10 HA LEU 10 -14.319 20.471 0.811
62 HB2 LEU 10 HB2 LEU 10 -15.042 18.342 2.923
63 HB3 LEU 10 HB3 LEU 10 -16.215 19.504 2.271
64 HG LEU 10 HG LEU 10 -14.694 17.559 0.442
65 HD11 LEU 10 HD11 LEU 10 -15.868 16.138 2.092
66 HD12 LEU 10 HD12 LEU 10 -17.374 17.071 1.891
67 HD13 LEU 10 HD13 LEU 10 -16.752 16.069 0.556
68 HD21 LEU 10 HD21 LEU 10 -16.563 17.907 -1.079
69 HD22 LEU 10 HD22 LEU 10 -17.388 18.972 0.097
70 HD23 LEU 10 HD23 LEU 10 -15.879 19.498 -0.698
71 H SER 11 H SER 11 -13.048 19.584 4.119
72 HA SER 11 HA SER 11 -14.153 21.965 5.310
73 HB2 SER 11 HB2 SER 11 -12.508 21.619 7.127
74 HB3 SER 11 HB3 SER 11 -13.463 20.148 6.778
75 HG SER 11 HG SER 11 -11.168 19.656 6.911
76 H LYS 12 H LYS 12 -10.998 21.219 3.549
77 HA LYS 12 HA LYS 12 -9.838 23.701 4.263
78 HB2 LYS 12 HB2 LYS 12 -8.738 21.692 3.133
79 HB3 LYS 12 HB3 LYS 12 -9.417 22.230 1.584
80 HG2 LYS 12 HG2 LYS 12 -7.566 23.894 3.412
81 HG3 LYS 12 HG3 LYS 12 -6.982 22.824 2.119
82 HD2 LYS 12 HD2 LYS 12 -8.188 24.167 0.401
83 HD3 LYS 12 HD3 LYS 12 -8.778 25.272 1.659
84 HE2 LYS 12 HE2 LYS 12 -6.370 25.818 2.251
85 HE3 LYS 12 HE3 LYS 12 -5.856 24.794 0.885
86 HZ1 LYS 12 HZ1 LYS 12 -5.923 27.133 0.215
87 HZ2 LYS 12 HZ2 LYS 12 -7.184 26.270 -0.636
88 HZ3 LYS 12 HZ3 LYS 12 -7.570 27.289 0.725
89 H GLN 13 H GLN 13 -12.100 22.758 1.562
90 HA GLN 13 HA GLN 13 -12.107 25.298 0.324
91 HB2 GLN 13 HB2 GLN 13 -14.516 23.400 0.584
92 HB3 GLN 13 HB3 GLN 13 -14.426 24.797 -0.517
93 HG2 GLN 13 HG2 GLN 13 -12.504 23.716 -1.710
94 HG3 GLN 13 HG3 GLN 13 -12.720 22.267 -0.716
95 HE21 GLN 13 HE21 GLN 13 -15.259 22.934 -3.855
96 HE22 GLN 13 HE22 GLN 13 -14.011 24.062 -3.518
97 H LYS 14 H LYS 14 -14.171 23.943 3.039
98 HA LYS 14 HA LYS 14 -15.689 26.422 3.208
99 HB2 LYS 14 HB2 LYS 14 -15.437 24.038 5.122
100 HB3 LYS 14 HB3 LYS 14 -16.499 25.436 5.418
101 HG2 LYS 14 HG2 LYS 14 -17.777 24.972 3.374
102 HG3 LYS 14 HG3 LYS 14 -16.683 23.658 2.900
103 HD2 LYS 14 HD2 LYS 14 -17.866 23.415 5.657
104 HD3 LYS 14 HD3 LYS 14 -19.036 23.264 4.335
105 HE2 LYS 14 HE2 LYS 14 -17.774 21.404 3.355
106 HE3 LYS 14 HE3 LYS 14 -16.452 21.569 4.531
107 HZ1 LYS 14 HZ1 LYS 14 -18.760 21.281 6.072
108 H ASP 15 H ASP 15 -13.300 24.934 5.574
109 HA ASP 15 HA ASP 15 -12.826 26.982 7.244
110 HB2 ASP 15 H32 ASP 15 -10.601 25.464 5.748
111 HB3 ASP 15 H33 ASP 15 -10.413 26.307 7.296
112 H GLU 16 H GLU 16 -11.589 26.829 3.781
113 HA GLU 16 HA GLU 16 -10.037 29.212 4.072
114 HB2 GLU 16 HB2 GLU 16 -9.729 27.660 2.094
115 HB3 GLU 16 HB3 GLU 16 -11.338 28.118 1.498
116 HG2 GLU 16 HG2 GLU 16 -10.557 30.522 1.361
117 HG3 GLU 16 HG3 GLU 16 -8.945 29.999 1.896
118 H GLN 17 H GLN 17 -13.439 28.672 2.767
119 HA GLN 17 HA GLN 17 -13.923 31.415 2.333
120 HB2 GLN 17 H42 GLN 17 -15.432 29.552 1.572
121 HB3 GLN 17 H43 GLN 17 -15.953 29.291 3.252
122 HG2 GLN 17 H32 GLN 17 -17.652 30.632 2.066
123 HG3 GLN 17 H33 GLN 17 -16.887 31.670 3.282
124 HE21 GLN 17 H61 GLN 17 -15.371 33.840 0.831
125 HE22 GLN 17 H62 GLN 17 -15.370 33.397 2.494
126 H ARG 18 H ARG 18 -14.336 29.406 5.346
127 HA ARG 18 HA ARG 18 -15.583 31.470 6.854
128 HB2 ARG 18 H42 ARG 18 -13.753 29.208 7.850
129 HB3 ARG 18 H43 ARG 18 -14.750 30.257 8.886
130 HG2 ARG 18 H33 ARG 18 -16.820 29.424 7.703
131 HG3 ARG 18 H32 ARG 18 -15.823 28.258 6.794
132 HD2 ARG 18 H52 ARG 18 -15.092 27.200 8.927
133 HD3 ARG 18 H53 ARG 18 -16.050 28.434 9.826
134 HE ARG 18 H10 ARG 18 -17.737 27.009 7.975
135 HH11 ARG 18 H71 ARG 18 -19.292 25.660 8.906
136 HH12 ARG 18 H72 ARG 18 -19.071 25.009 10.487
137 HH21 ARG 18 H81 ARG 18 -16.004 26.569 11.064
138 HH22 ARG 18 H82 ARG 18 -17.265 25.552 11.732
139 H ALA 19 H ALA 19 -12.086 30.600 6.358
140 HA ALA 19 HA ALA 19 -11.078 32.633 8.110
141 HB1 ALA 19 H21 ALA 19 -9.789 31.366 5.629
142 HB2 ALA 19 H22 ALA 19 -8.929 32.351 6.850
143 HB3 ALA 19 H23 ALA 19 -9.647 30.776 7.310
144 H LYS 20 H LYS 20 -11.919 32.650 4.533
145 HA LYS 20 HA LYS 20 -10.785 35.239 4.128
146 HB2 LYS 20 H42 LYS 20 -12.984 33.767 2.593
147 HB3 LYS 20 H43 LYS 20 -12.322 35.339 2.083
148 HG2 LYS 20 H23 LYS 20 -10.054 34.380 1.850
149 HG3 LYS 20 H22 LYS 20 -10.593 32.835 2.510
150 HD2 LYS 20 H33 LYS 20 -10.452 32.629 0.089
151 HD3 LYS 20 H32 LYS 20 -12.149 32.497 0.578
152 HE2 LYS 20 H53 LYS 20 -11.863 33.827 -1.493
153 HE3 LYS 20 H52 LYS 20 -12.636 34.776 -0.220
154 HZ1 LYS 20 H71 LYS 20 -9.659 34.826 -0.831
155 HZ2 LYS 20 H72 LYS 20 -10.815 35.921 -1.572
156 HZ3 LYS 20 H73 LYS 20 -10.558 35.971 0.161
157 H LEU 21 H LEU 21 -14.101 34.146 5.191
158 HA LEU 21 HA LEU 21 -15.204 36.802 5.135
159 HB2 LEU 21 HB2 LEU 21 -15.822 34.405 6.965
160 HB3 LEU 21 HB3 LEU 21 -16.783 35.896 6.984
161 HG LEU 21 HG LEU 21 -16.478 34.240 4.423
162 HD11 LEU 21 HD11 LEU 21 -18.682 33.246 4.979
163 HD12 LEU 21 HD12 LEU 21 -17.436 32.773 6.157
164 HD13 LEU 21 HD13 LEU 21 -18.643 34.008 6.606
165 HD21 LEU 21 HD21 LEU 21 -18.661 36.242 5.313
166 HD22 LEU 21 HD22 LEU 21 -17.329 36.668 4.211
167 HD23 LEU 21 HD23 LEU 21 -18.523 35.450 3.725
168 H PHE 22 H PHE 22 -13.290 34.955 7.623
169 HA PHE 22 HA PHE 22 -13.449 37.005 9.579
170 HB2 PHE 22 HB2 PHE 22 -12.612 34.662 9.985
171 HB3 PHE 22 HB3 PHE 22 -11.114 35.070 9.142
172 HD1 PHE 22 HD1 PHE 22 -13.298 36.014 12.037
173 HD2 PHE 22 HD2 PHE 22 -9.361 36.306 10.363
174 HE1 PHE 22 HE1 PHE 22 -12.463 36.941 14.166
175 HE2 PHE 22 HE2 PHE 22 -8.475 36.902 12.597
176 HZ PHE 22 HZ PHE 22 -10.024 37.300 14.482
177 H ILE 23 H ILE 23 -11.037 36.517 6.862
178 HA ILE 23 HA ILE 23 -9.522 38.857 7.573
179 HB ILE 23 HB ILE 23 -9.714 37.152 5.076
180 HG12 ILE 23 HG12 ILE 23 -7.263 37.094 5.282
181 HG13 ILE 23 HG13 ILE 23 -7.306 38.301 6.593
182 HG21 ILE 23 HG21 ILE 23 -8.537 39.978 5.009
183 HG22 ILE 23 HG22 ILE 23 -8.277 38.720 3.773
184 HG23 ILE 23 HG23 ILE 23 -9.902 39.385 4.022
185 HD11 ILE 23 HD11 ILE 23 -8.530 35.460 6.721
186 HD12 ILE 23 HD12 ILE 23 -6.989 35.947 7.465
187 HD13 ILE 23 HD13 ILE 23 -8.514 36.642 8.063
188 H GLU 24 H GLU 24 -12.436 38.508 5.414
189 HA GLU 24 HA GLU 24 -12.348 41.275 4.672
190 HB2 GLU 24 HB2 GLU 24 -14.737 39.349 4.867
191 HB3 GLU 24 HB3 GLU 24 -14.851 40.990 4.183
192 HG2 GLU 24 HG2 GLU 24 -13.148 40.481 2.464
193 HG3 GLU 24 HG3 GLU 24 -13.000 38.806 3.050
194 H TRP 25 H TRP 25 -13.696 39.570 7.553
195 HA TRP 25 HA TRP 25 -14.985 41.926 8.630
196 HB2 TRP 25 HB2 TRP 25 -15.599 39.711 9.384
197 HB3 TRP 25 HB3 TRP 25 -13.948 39.351 9.915
198 HD1 TRP 25 HD1 TRP 25 -16.880 41.674 10.969
199 HE1 TRP 25 HE1 TRP 25 -16.654 42.057 13.448
200 HE3 TRP 25 HE3 TRP 25 -12.324 39.333 11.812
201 HZ2 TRP 25 HZ2 TRP 25 -14.932 41.538 15.501
202 HZ3 TRP 25 HZ3 TRP 25 -11.440 39.403 14.148
203 HH2 TRP 25 HH2 TRP 25 -12.754 40.398 15.970
204 H LEU 26 H LEU 26 -11.617 40.534 8.982
205 HA LEU 26 HA LEU 26 -10.801 42.499 10.904
206 HB2 LEU 26 HB2 LEU 26 -9.126 41.144 8.742
207 HB3 LEU 26 HB3 LEU 26 -8.439 42.104 10.069
208 HG LEU 26 HG LEU 26 -10.006 39.477 10.442
209 HD11 LEU 26 HD11 LEU 26 -7.745 38.472 10.910
210 HD12 LEU 26 HD12 LEU 26 -7.812 39.149 9.267
211 HD13 LEU 26 HD13 LEU 26 -6.992 40.050 10.573
212 HD21 LEU 26 HD21 LEU 26 -8.344 41.088 12.455
213 HD22 LEU 26 HD22 LEU 26 -10.128 40.965 12.479
214 HD23 LEU 26 HD23 LEU 26 -9.140 39.528 12.794
215 H AIB 27 H ALA 27 -10.839 42.467 7.276
216 HB11 AIB 27 H21 ALA 27 -8.953 45.625 7.891
217 HB12 AIB 27 H22 ALA 27 -8.368 44.431 6.709
218 HB13 AIB 27 H23 ALA 27 -9.027 46.000 6.164
219 HB21 AIB 27 H31 ALA 27 -10.678 44.944 4.656
220 HB22 AIB 27 H32 ALA 27 -10.052 43.313 5.046
221 HB23 AIB 27 H33 ALA 27 -11.785 43.669 5.208
222 H ALA 28 H ALA 28 -13.016 44.026 7.497
223 HA ALA 28 HA ALA 28 -14.084 46.653 7.152
224 HB1 ALA 28 H21 ALA 28 -15.119 44.450 9.035
225 HB2 ALA 28 H22 ALA 28 -16.065 45.825 8.420
226 HB3 ALA 28 H23 ALA 28 -15.494 44.566 7.292
227 H GLY 29 H GLY 29 -12.017 45.364 9.741
228 HA2 GLY 29 HA2 GLY 29 -11.399 47.436 11.177
229 HA3 GLY 29 HA3 GLY 29 -13.091 47.324 11.705
230 H GLY 30 H GLY 30 -12.955 44.145 11.448
231 HA2 GLY 30 HA2 GLY 30 -12.342 42.443 12.907
232 HA3 GLY 30 HA3 GLY 30 -10.993 43.467 13.438
233 HA PRO 31 HA PRO 31 -14.107 43.538 16.964
234 HB2 PRO 31 HB2 PRO 31 -11.585 44.917 18.066
235 HB3 PRO 31 HB3 PRO 31 -12.717 43.852 18.943
236 HG2 PRO 31 HG2 PRO 31 -10.389 42.772 18.066
237 HG3 PRO 31 HG3 PRO 31 -11.908 41.909 17.678
238 HD2 PRO 31 HD2 PRO 31 -10.367 43.835 15.824
239 HD3 PRO 31 HD3 PRO 31 -10.951 42.166 15.457
240 H SER 32 H SER 32 -12.019 46.120 15.428
241 HA SER 32 HA SER 32 -13.395 48.309 16.660
242 HB2 SER 32 HB2 SER 32 -11.905 48.305 13.985
243 HB3 SER 32 HB3 SER 32 -12.194 49.691 15.073
244 HG SER 32 HG SER 32 -10.040 48.659 15.400
245 H SER 33 H SER 33 -14.190 46.238 13.787
246 HA SER 33 HA SER 33 -15.588 48.157 12.311
247 HB2 SER 33 HB2 SER 33 -16.877 46.309 11.298
248 HB3 SER 33 HB3 SER 33 -15.142 45.910 11.406
249 HG SER 33 HG SER 33 -16.506 44.161 12.217
250 H GLY 34 H GLY 34 -16.693 46.132 15.144
251 HA2 GLY 34 HA2 GLY 34 -18.468 46.961 16.567
252 HA3 GLY 34 HA3 GLY 34 -19.286 47.681 15.175
253 H ALA 35 H ALA 35 -18.688 45.350 13.270
254 HA ALA 35 HA ALA 35 -21.074 43.907 13.945
255 HB1 ALA 35 HB1 ALA 35 -18.962 43.249 11.838
256 HB2 ALA 35 HB2 ALA 35 -20.600 42.545 11.955
257 HB3 ALA 35 HB3 ALA 35 -20.401 44.282 11.599
258 HA PRO 36 HA PRO 36 -18.718 40.723 16.372
259 HB2 PRO 36 HB2 PRO 36 -20.883 38.949 15.072
260 HB3 PRO 36 HB3 PRO 36 -20.303 38.849 16.765
261 HG2 PRO 36 HG2 PRO 36 -22.633 40.117 16.351
262 HG3 PRO 36 HG3 PRO 36 -21.382 40.973 17.301
263 HD2 PRO 36 HD2 PRO 36 -22.022 41.440 14.324
264 HD3 PRO 36 HD3 PRO 36 -21.835 42.626 15.670
265 HA PRO 37 HA PRO 37 -16.477 38.861 12.908
266 HB2 PRO 37 HB2 PRO 37 -15.201 36.663 14.103
267 HB3 PRO 37 HB3 PRO 37 -14.808 38.341 14.573
268 HG2 PRO 37 HG2 PRO 37 -16.830 36.500 15.922
269 HG3 PRO 37 HG3 PRO 37 -15.423 37.307 16.696
270 HD2 PRO 37 HD2 PRO 37 -17.898 38.450 16.832
271 HD3 PRO 37 HD3 PRO 37 -16.480 39.508 16.453
272 HA PRO 38 HA PRO 38 -19.251 35.617 11.399
273 HB2 PRO 38 HB2 PRO 38 -17.727 34.283 9.542
274 HB3 PRO 38 HB3 PRO 38 -18.128 36.009 9.346
275 HG2 PRO 38 HG2 PRO 38 -15.545 34.937 10.621
276 HG3 PRO 38 HG3 PRO 38 -15.672 36.006 9.196
277 HD2 PRO 38 HD2 PRO 38 -15.317 37.075 11.681
278 HD3 PRO 38 HD3 PRO 38 -16.527 37.839 10.596
279 H SER 39 H SER 39 -19.304 34.740 13.678
280 HA SER 39 HA SER 39 -17.973 32.068 13.833
281 HB2 SER 39 HB2 SER 39 -17.780 34.196 16.060
282 HB3 SER 39 HB3 SER 39 -17.252 32.499 16.162
283 HG SER 39 HG SER 39 -16.172 34.417 14.326
284 HN1 NH2 40 H11 SER 39 -20.931 30.991 15.487
285 HN2 NH2 40 H12 SER 39 -19.484 30.502 14.708
286 H93 EVT 101 H93 XXX 40 -20.117 17.845 12.637
287 H92 EVT 101 H92 XXX 40 -18.832 19.059 12.493
288 H103 EVT 101 H103 XXX 40 -20.342 20.881 13.113
289 H102 EVT 101 H102 XXX 40 -21.761 19.817 12.989
290 H11 EVT 101 H11 XXX 40 -20.906 18.442 14.903
291 H122 EVT 101 H122 XXX 40 -23.174 21.912 16.753
292 H123 EVT 101 H123 XXX 40 -24.515 21.417 15.704
293 H133 EVT 101 H133 XXX 40 -24.865 19.362 17.091
294 H132 EVT 101 H132 XXX 40 -25.048 20.842 18.064
295 H143 EVT 101 H143 XXX 40 -22.725 20.572 18.953
296 H142 EVT 101 H142 XXX 40 -22.495 19.119 17.946
297 H153 EVT 101 H153 XXX 40 -24.312 17.952 19.174
298 H152 EVT 101 H152 XXX 40 -24.633 19.412 20.146
299 H6 EVT 101 H6 XXX 40 -18.713 17.789 10.328
300 H163 EVT 101 H163 XXX 40 -22.380 19.307 21.168
301 H162 EVT 101 H162 XXX 40 -21.922 17.946 20.112
302 H173 EVT 101 H173 XXX 40 -23.673 16.511 21.124
303 H172 EVT 101 H172 XXX 40 -24.156 17.837 22.221
304 H183 EVT 101 H183 XXX 40 -21.784 17.858 23.150
305 H182 EVT 101 H182 XXX 40 -21.410 16.435 22.152
306 H193 EVT 101 H193 XXX 40 -23.428 16.608 24.471
307 H192 EVT 101 H192 XXX 40 -21.881 15.736 24.420
308 H203 EVT 101 H203 XXX 40 -22.859 14.289 22.522
309 H202 EVT 101 H202 XXX 40 -24.449 15.028 22.878
310 H213 EVT 101 H213 XXX 40 -24.259 14.234 25.270
311 H212 EVT 101 H212 XXX 40 -22.703 13.471 24.858
312 H223 EVT 101 H223 XXX 40 -23.829 12.014 23.189
313 H222 EVT 101 H222 XXX 40 -25.413 12.733 23.596
314 H25 EVT 101 H25 XXX 40 -21.060 21.083 16.097
315 H293 EVT 101 H293 XXX 40 -25.244 11.859 25.925
316 H292 EVT 101 H292 XXX 40 -23.572 11.329 25.632
317 H303 EVT 101 H303 XXX 40 -25.029 9.389 25.605
318 H302 EVT 101 H302 XXX 40 -24.347 9.643 23.977
319 H313 EVT 101 H313 XXX 40 -26.513 10.614 23.210
320 H312 EVT 101 H312 XXX 40 -27.180 10.518 24.857
321 H321 EVT 101 H321 XXX 40 -26.272 8.104 23.154
322 H323 EVT 101 H323 XXX 40 -27.965 8.615 23.399
323 H322 EVT 101 H322 XXX 40 -27.007 7.999 24.772
324 H353 EVT 101 H353 XXX 40 -18.803 17.583 5.985
325 H352 EVT 101 H352 XXX 40 -19.967 18.913 6.005
326 H363 EVT 101 H363 XXX 40 -18.509 19.901 7.968
327 H362 EVT 101 H362 XXX 40 -17.700 18.317 7.996
328 H37 EVT 101 H37 XXX 40 -20.696 18.864 8.333
Start of MODEL 2
1 H1 HIS 1 H1 HIS 1 -10.878 6.811 7.710
2 H2 HIS 1 H2 HIS 1 -10.788 8.126 6.566
3 H3 HIS 1 H3 HIS 1 -11.995 8.129 7.822
4 HA HIS 1 HA HIS 1 -11.849 6.099 5.592
5 HB2 HIS 1 HB2 HIS 1 -14.189 6.779 7.476
6 HB3 HIS 1 HB3 HIS 1 -14.108 5.427 6.321
7 HD1 HIS 1 HD1 HIS 1 -11.672 3.975 6.891
8 HD2 HIS 1 HD2 HIS 1 -13.859 5.883 9.933
9 HE1 HIS 1 HE1 HIS 1 -10.986 2.846 9.058
10 H AIB 2 H AIB 2 -13.891 6.425 4.048
11 HB11 AIB 2 H31 AIB 2 -16.290 8.369 2.093
12 HB12 AIB 2 H32 AIB 2 -15.256 6.935 1.905
13 HB13 AIB 2 H33 AIB 2 -16.327 7.074 3.316
14 HB21 AIB 2 H21 AIB 2 -13.110 8.227 1.767
15 HB22 AIB 2 H22 AIB 2 -14.074 9.725 1.774
16 HB23 AIB 2 H23 AIB 2 -12.749 9.503 2.952
17 H GLN 3 H GLN 3 -15.979 8.027 5.572
18 HA GLN 3 HA GLN 3 -17.255 10.560 5.681
19 HB2 GLN 3 H42 GLN 3 -18.031 8.584 6.930
20 HB3 GLN 3 H43 GLN 3 -16.577 8.575 7.944
21 HG2 GLN 3 H32 GLN 3 -18.528 10.949 7.886
22 HG3 GLN 3 H33 GLN 3 -18.703 9.580 9.002
23 HE21 GLN 3 H61 GLN 3 -15.956 12.391 9.973
24 HE22 GLN 3 H62 GLN 3 -16.916 12.615 8.565
25 H GLY 4 H GLY 4 -14.222 9.367 7.357
26 HA2 GLY 4 HA2 GLY 4 -13.737 11.731 8.786
27 HA3 GLY 4 HA3 GLY 4 -12.475 10.596 8.285
28 H THR 5 H THR 5 -12.140 10.717 5.601
29 HA THR 5 HA THR 5 -10.774 13.125 5.356
30 HB THR 5 HB THR 5 -11.857 11.757 2.862
31 HG1 THR 5 HG1 THR 5 -10.208 10.127 3.258
32 HG21 THR 5 HG21 THR 5 -9.590 12.298 1.971
33 HG22 THR 5 HG22 THR 5 -10.267 13.785 2.695
34 HG23 THR 5 HG23 THR 5 -9.063 12.836 3.589
35 H PHE 6 H PHE 6 -14.172 12.225 4.378
36 HA PHE 6 HA PHE 6 -14.610 14.565 2.778
37 HB2 PHE 6 HB2 PHE 6 -16.649 13.002 4.462
38 HB3 PHE 6 HB3 PHE 6 -17.029 14.256 3.247
39 HD1 PHE 6 HD1 PHE 6 -18.262 11.621 3.300
40 HD2 PHE 6 HD2 PHE 6 -14.658 12.857 1.282
41 HE1 PHE 6 HE1 PHE 6 -18.606 9.862 1.589
42 HE2 PHE 6 HE2 PHE 6 -15.135 11.271 -0.536
43 HZ PHE 6 HZ PHE 6 -17.092 9.736 -0.383
44 H THR 7 H THR 7 -15.409 14.074 6.395
45 HA THR 7 HA THR 7 -16.189 16.826 6.543
46 HB THR 7 HB THR 7 -16.789 15.194 8.339
47 HG1 THR 7 HG1 THR 7 -15.469 17.575 9.228
48 HG21 THR 7 HG21 THR 7 -15.131 14.802 10.196
49 HG22 THR 7 HG22 THR 7 -14.620 14.016 8.689
50 HG23 THR 7 HG23 THR 7 -13.834 15.519 9.224
51 H SER 8 H SER 8 -12.951 15.224 6.701
52 HA SER 8 HA SER 8 -11.615 17.450 7.875
53 HB2 SER 8 HB2 SER 8 -10.604 15.202 7.635
54 HB3 SER 8 HB3 SER 8 -10.471 15.441 5.881
55 HG SER 8 HG SER 8 -9.067 17.288 6.406
56 H ASP 9 H ASP 9 -12.277 16.521 4.423
57 HA ASP 9 HA ASP 9 -10.884 18.832 3.336
58 HB2 ASP 9 HB2 ASP 9 -11.189 16.628 2.151
59 HB3 ASP 9 HB3 ASP 9 -12.946 16.896 2.100
60 H LEU 10 H LEU 10 -14.378 17.974 3.874
61 HA LEU 10 HA LEU 10 -15.364 20.354 2.581
62 HB2 LEU 10 HB2 LEU 10 -16.602 18.541 4.732
63 HB3 LEU 10 HB3 LEU 10 -17.500 19.823 3.912
64 HG LEU 10 HG LEU 10 -16.161 17.595 2.264
65 HD11 LEU 10 HD11 LEU 10 -17.642 16.483 3.926
66 HD12 LEU 10 HD12 LEU 10 -18.994 17.555 3.460
67 HD13 LEU 10 HD13 LEU 10 -18.336 16.372 2.292
68 HD21 LEU 10 HD21 LEU 10 -17.951 18.187 0.620
69 HD22 LEU 10 HD22 LEU 10 -18.583 19.419 1.735
70 HD23 LEU 10 HD23 LEU 10 -16.972 19.621 1.011
71 H SER 11 H SER 11 -14.600 19.499 6.056
72 HA SER 11 HA SER 11 -15.357 22.058 7.024
73 HB2 SER 11 HB2 SER 11 -14.084 21.673 9.022
74 HB3 SER 11 HB3 SER 11 -14.867 20.135 8.591
75 HG SER 11 HG SER 11 -12.729 19.562 7.652
76 H LYS 12 H LYS 12 -12.256 20.861 5.461
77 HA LYS 12 HA LYS 12 -10.834 23.251 6.076
78 HB2 LYS 12 HB2 LYS 12 -9.875 21.092 5.290
79 HB3 LYS 12 HB3 LYS 12 -10.447 21.421 3.645
80 HG2 LYS 12 HG2 LYS 12 -8.626 23.340 5.215
81 HG3 LYS 12 HG3 LYS 12 -7.982 21.959 4.316
82 HD2 LYS 12 HD2 LYS 12 -8.878 22.836 2.167
83 HD3 LYS 12 HD3 LYS 12 -9.570 24.242 3.008
84 HE2 LYS 12 HE2 LYS 12 -7.256 24.908 3.746
85 HE3 LYS 12 HE3 LYS 12 -6.594 23.499 2.877
86 HZ1 LYS 12 HZ1 LYS 12 -7.401 24.433 0.754
87 HZ2 LYS 12 HZ2 LYS 12 -8.110 25.795 1.585
88 HZ3 LYS 12 HZ3 LYS 12 -6.383 25.573 1.567
89 H GLN 13 H GLN 13 -13.143 22.382 3.353
90 HA GLN 13 HA GLN 13 -12.731 24.872 1.997
91 HB2 GLN 13 HB2 GLN 13 -15.338 23.279 2.172
92 HB3 GLN 13 HB3 GLN 13 -15.031 24.638 1.077
93 HG2 GLN 13 HG2 GLN 13 -13.096 23.282 0.078
94 HG3 GLN 13 HG3 GLN 13 -13.741 21.871 0.964
95 HE21 GLN 13 HE21 GLN 13 -16.885 22.001 -1.066
96 HE22 GLN 13 HE22 GLN 13 -16.523 21.986 0.612
97 H LYS 14 H LYS 14 -15.107 23.887 4.637
98 HA LYS 14 HA LYS 14 -16.330 26.473 4.604
99 HB2 LYS 14 HB2 LYS 14 -16.286 24.262 6.715
100 HB3 LYS 14 HB3 LYS 14 -17.052 25.833 7.037
101 HG2 LYS 14 HG2 LYS 14 -18.588 25.617 5.202
102 HG3 LYS 14 HG3 LYS 14 -17.763 24.193 4.538
103 HD2 LYS 14 HD2 LYS 14 -19.004 24.102 7.334
104 HD3 LYS 14 HD3 LYS 14 -20.041 23.918 5.912
105 HE2 LYS 14 HE2 LYS 14 -18.758 22.004 5.073
106 HE3 LYS 14 HE3 LYS 14 -17.638 22.082 6.451
107 HZ1 LYS 14 HZ1 LYS 14 -19.944 21.811 7.760
108 H ASP 15 H ASP 15 -13.641 25.179 6.732
109 HA ASP 15 HA ASP 15 -13.073 27.563 8.066
110 HB2 ASP 15 H32 ASP 15 -11.196 25.399 6.996
111 HB3 ASP 15 H33 ASP 15 -10.601 26.778 7.922
112 H GLU 16 H GLU 16 -12.188 26.577 4.650
113 HA GLU 16 HA GLU 16 -10.310 28.678 4.270
114 HB2 GLU 16 HB2 GLU 16 -10.531 26.702 2.743
115 HB3 GLU 16 HB3 GLU 16 -12.058 27.359 2.111
116 HG2 GLU 16 HG2 GLU 16 -10.800 29.453 1.366
117 HG3 GLU 16 HG3 GLU 16 -9.304 28.671 1.926
118 H GLN 17 H GLN 17 -13.857 28.456 3.363
119 HA GLN 17 HA GLN 17 -14.065 31.152 2.467
120 HB2 GLN 17 H42 GLN 17 -15.897 29.616 2.032
121 HB3 GLN 17 H43 GLN 17 -16.064 29.242 3.772
122 HG2 GLN 17 H32 GLN 17 -17.942 30.628 3.147
123 HG3 GLN 17 H33 GLN 17 -16.900 31.620 4.159
124 HE21 GLN 17 H61 GLN 17 -15.965 33.772 1.316
125 HE22 GLN 17 H62 GLN 17 -15.273 33.142 2.752
126 H ARG 18 H ARG 18 -14.468 29.672 5.760
127 HA ARG 18 HA ARG 18 -15.472 32.096 6.898
128 HB2 ARG 18 H42 ARG 18 -14.177 29.633 8.171
129 HB3 ARG 18 H43 ARG 18 -14.893 30.939 9.128
130 HG2 ARG 18 H33 ARG 18 -17.087 30.629 8.177
131 HG3 ARG 18 H32 ARG 18 -16.519 29.530 6.920
132 HD2 ARG 18 H52 ARG 18 -15.894 27.838 8.595
133 HD3 ARG 18 H53 ARG 18 -16.554 28.887 9.904
134 HE ARG 18 H10 ARG 18 -18.597 28.621 7.946
135 HH11 ARG 18 H71 ARG 18 -20.230 27.089 8.110
136 HH12 ARG 18 H72 ARG 18 -20.060 25.715 9.142
137 HH21 ARG 18 H81 ARG 18 -16.842 26.536 10.232
138 HH22 ARG 18 H82 ARG 18 -18.152 25.375 10.327
139 H ALA 19 H ALA 19 -12.098 30.813 6.520
140 HA ALA 19 HA ALA 19 -10.902 32.917 8.067
141 HB1 ALA 19 H21 ALA 19 -8.852 32.492 6.655
142 HB2 ALA 19 H22 ALA 19 -9.518 31.004 7.365
143 HB3 ALA 19 H23 ALA 19 -9.801 31.373 5.639
144 H LYS 20 H LYS 20 -11.883 32.646 4.546
145 HA LYS 20 HA LYS 20 -10.758 35.210 3.915
146 HB2 LYS 20 H42 LYS 20 -12.918 33.628 2.450
147 HB3 LYS 20 H43 LYS 20 -12.167 35.122 1.838
148 HG2 LYS 20 H23 LYS 20 -9.917 34.047 1.864
149 HG3 LYS 20 H22 LYS 20 -10.598 32.582 2.587
150 HD2 LYS 20 H33 LYS 20 -10.355 31.998 0.313
151 HD3 LYS 20 H32 LYS 20 -12.090 32.348 0.480
152 HE2 LYS 20 H53 LYS 20 -11.582 34.701 -0.453
153 HE3 LYS 20 H52 LYS 20 -9.882 34.197 -0.633
154 HZ1 LYS 20 H71 LYS 20 -11.023 34.000 -2.742
155 HZ2 LYS 20 H72 LYS 20 -10.616 32.398 -2.154
156 HZ3 LYS 20 H73 LYS 20 -12.266 32.988 -2.035
157 H LEU 21 H LEU 21 -14.029 34.226 5.160
158 HA LEU 21 HA LEU 21 -15.128 36.899 4.908
159 HB2 LEU 21 HB2 LEU 21 -15.744 34.689 6.952
160 HB3 LEU 21 HB3 LEU 21 -16.709 36.161 6.774
161 HG LEU 21 HG LEU 21 -16.388 34.030 4.596
162 HD11 LEU 21 HD11 LEU 21 -17.616 33.121 6.557
163 HD12 LEU 21 HD12 LEU 21 -18.714 34.521 6.538
164 HD13 LEU 21 HD13 LEU 21 -18.717 33.355 5.183
165 HD21 LEU 21 HD21 LEU 21 -16.965 36.241 3.571
166 HD22 LEU 21 HD22 LEU 21 -18.376 35.171 3.544
167 HD23 LEU 21 HD23 LEU 21 -18.269 36.457 4.763
168 H PHE 22 H PHE 22 -13.272 35.121 7.485
169 HA PHE 22 HA PHE 22 -13.450 37.158 9.428
170 HB2 PHE 22 HB2 PHE 22 -12.568 34.833 9.838
171 HB3 PHE 22 HB3 PHE 22 -11.088 35.254 8.954
172 HD1 PHE 22 HD1 PHE 22 -13.245 36.222 11.901
173 HD2 PHE 22 HD2 PHE 22 -9.343 36.543 10.134
174 HE1 PHE 22 HE1 PHE 22 -12.288 36.762 14.120
175 HE2 PHE 22 HE2 PHE 22 -8.363 36.929 12.386
176 HZ PHE 22 HZ PHE 22 -9.843 37.128 14.359
177 H ILE 23 H ILE 23 -11.090 36.642 6.686
178 HA ILE 23 HA ILE 23 -9.479 38.921 7.336
179 HB ILE 23 HB ILE 23 -9.819 37.217 4.864
180 HG12 ILE 23 HG12 ILE 23 -7.345 37.179 4.931
181 HG13 ILE 23 HG13 ILE 23 -7.324 38.394 6.227
182 HG21 ILE 23 HG21 ILE 23 -8.692 40.045 4.681
183 HG22 ILE 23 HG22 ILE 23 -8.452 38.773 3.455
184 HG23 ILE 23 HG23 ILE 23 -10.083 39.387 3.786
185 HD11 ILE 23 HD11 ILE 23 -8.450 36.744 7.777
186 HD12 ILE 23 HD12 ILE 23 -8.487 35.549 6.455
187 HD13 ILE 23 HD13 ILE 23 -6.928 36.100 7.109
188 H GLU 24 H GLU 24 -12.438 38.702 5.161
189 HA GLU 24 HA GLU 24 -12.280 41.471 4.490
190 HB2 GLU 24 HB2 GLU 24 -14.785 39.683 4.768
191 HB3 GLU 24 HB3 GLU 24 -14.791 41.369 4.181
192 HG2 GLU 24 HG2 GLU 24 -13.195 40.676 2.345
193 HG3 GLU 24 HG3 GLU 24 -13.318 38.990 2.906
194 H TRP 25 H TRP 25 -13.628 39.759 7.370
195 HA TRP 25 HA TRP 25 -14.816 42.159 8.534
196 HB2 TRP 25 HB2 TRP 25 -15.551 39.903 9.121
197 HB3 TRP 25 HB3 TRP 25 -13.925 39.482 9.692
198 HD1 TRP 25 HD1 TRP 25 -16.890 41.693 10.785
199 HE1 TRP 25 HE1 TRP 25 -16.755 41.917 13.296
200 HE3 TRP 25 HE3 TRP 25 -12.260 39.493 11.581
201 HZ2 TRP 25 HZ2 TRP 25 -15.074 41.240 15.358
202 HZ3 TRP 25 HZ3 TRP 25 -11.436 39.389 13.940
203 HH2 TRP 25 HH2 TRP 25 -12.904 40.087 15.805
204 H LEU 26 H LEU 26 -11.496 40.646 8.817
205 HA LEU 26 HA LEU 26 -10.637 42.563 10.810
206 HB2 LEU 26 HB2 LEU 26 -8.996 41.184 8.623
207 HB3 LEU 26 HB3 LEU 26 -8.306 42.130 9.962
208 HG LEU 26 HG LEU 26 -9.891 39.527 10.337
209 HD11 LEU 26 HD11 LEU 26 -6.851 40.051 10.368
210 HD12 LEU 26 HD12 LEU 26 -7.642 38.508 10.764
211 HD13 LEU 26 HD13 LEU 26 -7.743 39.146 9.113
212 HD21 LEU 26 HD21 LEU 26 -8.182 41.125 12.342
213 HD22 LEU 26 HD22 LEU 26 -9.963 40.998 12.397
214 HD23 LEU 26 HD23 LEU 26 -8.966 39.556 12.650
215 H AIB 27 H ALA 27 -10.678 42.552 7.185
216 HB11 AIB 27 H21 ALA 27 -8.642 45.617 7.821
217 HB12 AIB 27 H22 ALA 27 -8.091 44.341 6.705
218 HB13 AIB 27 H23 ALA 27 -8.638 45.917 6.072
219 HB21 AIB 27 H31 ALA 27 -10.381 45.049 4.579
220 HB22 AIB 27 H32 ALA 27 -9.852 43.382 4.955
221 HB23 AIB 27 H33 ALA 27 -11.561 43.837 5.124
222 H ALA 28 H ALA 28 -12.744 44.221 7.463
223 HA ALA 28 HA ALA 28 -13.661 46.911 7.148
224 HB1 ALA 28 H21 ALA 28 -14.789 44.717 8.994
225 HB2 ALA 28 H22 ALA 28 -15.657 46.169 8.434
226 HB3 ALA 28 H23 ALA 28 -15.191 44.900 7.265
227 H GLY 29 H GLY 29 -11.723 45.423 9.751
228 HA2 GLY 29 HA2 GLY 29 -11.107 47.480 11.314
229 HA3 GLY 29 HA3 GLY 29 -12.816 47.294 11.779
230 H GLY 30 H GLY 30 -12.756 44.212 11.420
231 HA2 GLY 30 HA2 GLY 30 -12.209 42.419 12.819
232 HA3 GLY 30 HA3 GLY 30 -10.899 43.399 13.530
233 HA PRO 31 HA PRO 31 -14.442 43.329 16.632
234 HB2 PRO 31 HB2 PRO 31 -12.133 44.597 18.186
235 HB3 PRO 31 HB3 PRO 31 -13.360 43.451 18.800
236 HG2 PRO 31 HG2 PRO 31 -10.883 42.467 18.172
237 HG3 PRO 31 HG3 PRO 31 -12.333 41.615 17.581
238 HD2 PRO 31 HD2 PRO 31 -10.577 43.591 16.019
239 HD3 PRO 31 HD3 PRO 31 -11.184 41.975 15.497
240 H SER 32 H SER 32 -12.212 46.003 15.542
241 HA SER 32 HA SER 32 -13.703 48.141 16.703
242 HB2 SER 32 HB2 SER 32 -12.036 48.122 14.116
243 HB3 SER 32 HB3 SER 32 -12.703 49.575 14.903
244 HG SER 32 HG SER 32 -10.822 47.848 16.172
245 H SER 33 H SER 33 -14.249 46.183 13.673
246 HA SER 33 HA SER 33 -16.000 48.080 12.497
247 HB2 SER 33 HB2 SER 33 -16.799 46.252 11.054
248 HB3 SER 33 HB3 SER 33 -15.024 46.237 11.223
249 HG SER 33 HG SER 33 -15.891 44.085 11.570
250 H GLY 34 H GLY 34 -16.626 46.071 15.370
251 HA2 GLY 34 HA2 GLY 34 -18.422 46.929 16.710
252 HA3 GLY 34 HA3 GLY 34 -19.427 47.158 15.277
253 H ALA 35 H ALA 35 -19.007 44.610 13.930
254 HA ALA 35 HA ALA 35 -20.984 43.202 15.530
255 HB1 ALA 35 HB1 ALA 35 -19.718 42.417 12.865
256 HB2 ALA 35 HB2 ALA 35 -21.141 41.661 13.637
257 HB3 ALA 35 HB3 ALA 35 -21.222 43.359 13.085
258 HA PRO 36 HA PRO 36 -17.923 40.148 17.196
259 HB2 PRO 36 HB2 PRO 36 -20.254 38.291 16.391
260 HB3 PRO 36 HB3 PRO 36 -19.258 38.171 17.878
261 HG2 PRO 36 HG2 PRO 36 -21.677 39.291 18.118
262 HG3 PRO 36 HG3 PRO 36 -20.268 40.190 18.762
263 HD2 PRO 36 HD2 PRO 36 -21.665 40.651 16.043
264 HD3 PRO 36 HD3 PRO 36 -21.234 41.843 17.331
265 HA PRO 37 HA PRO 37 -16.311 38.806 13.299
266 HB2 PRO 37 HB2 PRO 37 -15.110 36.280 13.812
267 HB3 PRO 37 HB3 PRO 37 -14.459 37.871 14.337
268 HG2 PRO 37 HG2 PRO 37 -16.210 35.953 15.945
269 HG3 PRO 37 HG3 PRO 37 -14.649 36.666 16.456
270 HD2 PRO 37 HD2 PRO 37 -16.988 37.806 17.254
271 HD3 PRO 37 HD3 PRO 37 -15.677 38.906 16.661
272 HA PRO 38 HA PRO 38 -19.475 36.415 11.401
273 HB2 PRO 38 HB2 PRO 38 -18.333 35.603 8.995
274 HB3 PRO 38 HB3 PRO 38 -18.628 37.328 9.401
275 HG2 PRO 38 HG2 PRO 38 -16.016 35.792 9.770
276 HG3 PRO 38 HG3 PRO 38 -16.228 37.325 8.884
277 HD2 PRO 38 HD2 PRO 38 -15.410 37.275 11.510
278 HD3 PRO 38 HD3 PRO 38 -16.595 38.535 10.968
279 H SER 39 H SER 39 -20.185 34.190 10.856
280 HA SER 39 HA SER 39 -20.280 31.931 11.416
281 HB2 SER 39 HB2 SER 39 -17.396 31.949 10.417
282 HB3 SER 39 HB3 SER 39 -18.542 30.601 10.391
283 HG SER 39 HG SER 39 -18.846 33.021 8.858
284 HN1 NH2 40 H11 SER 39 -18.974 32.428 14.801
285 HN2 NH2 40 H12 SER 39 -20.058 33.269 13.762
286 H93 EVT 101 H93 XXX 40 -18.533 17.729 12.942
287 H92 EVT 101 H92 XXX 40 -18.284 15.984 12.765
288 H103 EVT 101 H103 XXX 40 -15.948 16.353 11.991
289 H102 EVT 101 H102 XXX 40 -16.165 18.118 12.014
290 H11 EVT 101 H11 XXX 40 -16.415 16.309 14.476
291 H122 EVT 101 H122 XXX 40 -16.529 20.454 16.666
292 H123 EVT 101 H123 XXX 40 -18.129 19.898 16.122
293 H133 EVT 101 H133 XXX 40 -18.174 18.380 18.240
294 H132 EVT 101 H132 XXX 40 -18.387 20.129 18.482
295 H143 EVT 101 H143 XXX 40 -16.014 20.406 19.100
296 H142 EVT 101 H142 XXX 40 -15.727 18.661 18.896
297 H153 EVT 101 H153 XXX 40 -17.298 18.129 20.731
298 H152 EVT 101 H152 XXX 40 -17.792 19.839 20.871
299 H6 EVT 101 H6 XXX 40 -18.296 19.141 10.956
300 H163 EVT 101 H163 XXX 40 -15.544 20.515 21.583
301 H162 EVT 101 H162 XXX 40 -14.921 18.866 21.376
302 H173 EVT 101 H173 XXX 40 -16.302 17.988 23.143
303 H172 EVT 101 H172 XXX 40 -17.230 19.503 23.317
304 H183 EVT 101 H183 XXX 40 -15.222 20.704 24.115
305 H182 EVT 101 H182 XXX 40 -14.214 19.261 23.905
306 H193 EVT 101 H193 XXX 40 -16.632 19.408 25.833
307 H192 EVT 101 H192 XXX 40 -14.942 19.717 26.298
308 H203 EVT 101 H203 XXX 40 -14.398 17.358 25.409
309 H202 EVT 101 H202 XXX 40 -16.157 17.072 25.346
310 H213 EVT 101 H213 XXX 40 -16.313 17.616 27.827
311 H212 EVT 101 H212 XXX 40 -14.553 17.839 27.851
312 H223 EVT 101 H223 XXX 40 -14.401 15.410 26.882
313 H222 EVT 101 H222 XXX 40 -16.124 15.236 27.287
314 H25 EVT 101 H25 XXX 40 -16.881 19.177 14.145
315 H293 EVT 101 H293 XXX 40 -15.527 15.726 29.714
316 H292 EVT 101 H292 XXX 40 -13.820 15.895 29.230
317 H303 EVT 101 H303 XXX 40 -13.855 13.508 28.359
318 H302 EVT 101 H302 XXX 40 -15.535 13.352 28.927
319 H313 EVT 101 H313 XXX 40 -14.797 13.710 31.279
320 H312 EVT 101 H312 XXX 40 -13.110 13.980 30.749
321 H321 EVT 101 H321 XXX 40 -14.680 11.367 30.332
322 H323 EVT 101 H323 XXX 40 -13.443 11.638 31.591
323 H322 EVT 101 H322 XXX 40 -12.978 11.653 29.866
324 H353 EVT 101 H353 XXX 40 -20.832 18.311 6.966
325 H352 EVT 101 H352 XXX 40 -21.713 19.772 7.447
326 H363 EVT 101 H363 XXX 40 -20.898 18.403 9.389
327 H362 EVT 101 H362 XXX 40 -20.268 20.061 9.414
328 H37 EVT 101 H37 XXX 40 -18.724 17.602 8.416
Start of MODEL 3
1 H1 HIS 1 H1 HIS 1 -9.973 6.713 8.651
2 H2 HIS 1 H2 HIS 1 -9.970 7.809 7.327
3 H3 HIS 1 H3 HIS 1 -11.017 8.100 8.687
4 HA HIS 1 HA HIS 1 -11.242 5.698 6.860
5 HB2 HIS 1 HB2 HIS 1 -13.384 6.938 8.699
6 HB3 HIS 1 HB3 HIS 1 -13.407 5.319 7.957
7 HD1 HIS 1 HD1 HIS 1 -10.781 4.166 8.788
8 HD2 HIS 1 HD2 HIS 1 -13.168 6.547 11.290
9 HE1 HIS 1 HE1 HIS 1 -10.085 3.592 11.160
10 H AIB 2 H AIB 2 -13.589 5.935 5.629
11 HB11 AIB 2 H31 AIB 2 -15.903 7.697 3.422
12 HB12 AIB 2 H32 AIB 2 -15.095 6.114 3.527
13 HB13 AIB 2 H33 AIB 2 -15.997 6.734 4.920
14 HB21 AIB 2 H21 AIB 2 -12.892 7.059 2.895
15 HB22 AIB 2 H22 AIB 2 -13.645 8.660 2.634
16 HB23 AIB 2 H23 AIB 2 -12.203 8.496 3.671
17 H GLN 3 H GLN 3 -15.197 7.947 6.904
18 HA GLN 3 HA GLN 3 -16.231 10.564 6.795
19 HB2 GLN 3 H42 GLN 3 -16.897 8.906 8.475
20 HB3 GLN 3 H43 GLN 3 -15.282 8.881 9.200
21 HG2 GLN 3 H32 GLN 3 -16.956 11.447 9.088
22 HG3 GLN 3 H33 GLN 3 -17.145 10.265 10.395
23 HE21 GLN 3 H61 GLN 3 -13.946 12.765 10.578
24 HE22 GLN 3 H62 GLN 3 -15.058 12.912 9.273
25 H GLY 4 H GLY 4 -13.044 9.437 8.210
26 HA2 GLY 4 HA2 GLY 4 -12.087 11.885 9.067
27 HA3 GLY 4 HA3 GLY 4 -11.045 10.619 8.387
28 H THR 5 H THR 5 -11.967 10.521 5.680
29 HA THR 5 HA THR 5 -10.423 12.739 4.687
30 HB THR 5 HB THR 5 -12.209 10.807 3.135
31 HG1 THR 5 HG1 THR 5 -10.134 9.653 2.968
32 HG21 THR 5 HG21 THR 5 -11.646 12.697 1.703
33 HG22 THR 5 HG22 THR 5 -9.938 12.671 2.226
34 HG23 THR 5 HG23 THR 5 -10.591 11.356 1.213
35 H PHE 6 H PHE 6 -14.028 12.015 4.779
36 HA PHE 6 HA PHE 6 -14.774 14.179 3.134
37 HB2 PHE 6 HB2 PHE 6 -16.270 12.832 5.456
38 HB3 PHE 6 HB3 PHE 6 -16.898 14.295 4.676
39 HD1 PHE 6 HD1 PHE 6 -17.220 14.371 2.169
40 HD2 PHE 6 HD2 PHE 6 -16.650 10.694 4.324
41 HE1 PHE 6 HE1 PHE 6 -18.225 13.099 0.290
42 HE2 PHE 6 HE2 PHE 6 -17.501 9.418 2.382
43 HZ PHE 6 HZ PHE 6 -18.254 10.619 0.344
44 H THR 7 H THR 7 -14.448 14.143 6.797
45 HA THR 7 HA THR 7 -14.968 16.945 6.924
46 HB THR 7 HB THR 7 -15.139 15.392 8.916
47 HG1 THR 7 HG1 THR 7 -13.615 17.770 9.272
48 HG21 THR 7 HG21 THR 7 -13.066 15.016 10.266
49 HG22 THR 7 HG22 THR 7 -12.940 14.184 8.697
50 HG23 THR 7 HG23 THR 7 -12.059 15.700 8.978
51 H SER 8 H SER 8 -11.924 15.167 6.211
52 HA SER 8 HA SER 8 -10.170 17.265 6.953
53 HB2 SER 8 HB2 SER 8 -9.873 15.194 4.719
54 HB3 SER 8 HB3 SER 8 -8.627 16.373 5.187
55 HG SER 8 HG SER 8 -9.725 14.440 7.009
56 H ASP 9 H ASP 9 -11.750 16.618 3.683
57 HA ASP 9 HA ASP 9 -10.649 19.112 2.676
58 HB2 ASP 9 HB2 ASP 9 -11.247 17.152 1.180
59 HB3 ASP 9 HB3 ASP 9 -12.962 17.483 1.499
60 H LEU 10 H LEU 10 -13.915 18.108 4.014
61 HA LEU 10 HA LEU 10 -15.150 20.570 3.190
62 HB2 LEU 10 HB2 LEU 10 -15.851 18.678 5.502
63 HB3 LEU 10 HB3 LEU 10 -16.888 20.019 5.000
64 HG LEU 10 HG LEU 10 -16.110 17.897 2.965
65 HD11 LEU 10 HD11 LEU 10 -17.188 16.731 4.875
66 HD12 LEU 10 HD12 LEU 10 -18.589 17.844 4.798
67 HD13 LEU 10 HD13 LEU 10 -18.248 16.735 3.435
68 HD21 LEU 10 HD21 LEU 10 -18.101 18.654 1.765
69 HD22 LEU 10 HD22 LEU 10 -18.577 19.725 3.116
70 HD23 LEU 10 HD23 LEU 10 -17.132 20.093 2.146
71 H SER 11 H SER 11 -13.522 19.601 6.289
72 HA SER 11 HA SER 11 -13.922 22.075 7.593
73 HB2 SER 11 HB2 SER 11 -11.958 21.666 8.935
74 HB3 SER 11 HB3 SER 11 -12.877 20.151 8.767
75 HG SER 11 HG SER 11 -11.240 19.570 7.117
76 H LYS 12 H LYS 12 -11.381 21.022 5.132
77 HA LYS 12 HA LYS 12 -9.953 23.472 5.302
78 HB2 LYS 12 HB2 LYS 12 -9.196 21.279 4.311
79 HB3 LYS 12 HB3 LYS 12 -10.148 21.642 2.858
80 HG2 LYS 12 HG2 LYS 12 -7.932 23.442 4.008
81 HG3 LYS 12 HG3 LYS 12 -7.634 22.144 2.839
82 HD2 LYS 12 HD2 LYS 12 -9.046 23.226 1.118
83 HD3 LYS 12 HD3 LYS 12 -9.439 24.556 2.226
84 HE2 LYS 12 HE2 LYS 12 -6.993 25.127 2.376
85 HE3 LYS 12 HE3 LYS 12 -6.646 23.853 1.178
86 HZ1 LYS 12 HZ1 LYS 12 -6.804 26.024 0.092
87 HZ2 LYS 12 HZ2 LYS 12 -8.135 25.030 -0.431
88 HZ3 LYS 12 HZ3 LYS 12 -8.376 26.316 0.742
89 H GLN 13 H GLN 13 -12.816 22.454 3.214
90 HA GLN 13 HA GLN 13 -12.897 24.871 1.738
91 HB2 GLN 13 HB2 GLN 13 -15.325 23.216 2.683
92 HB3 GLN 13 HB3 GLN 13 -15.367 24.603 1.574
93 HG2 GLN 13 HG2 GLN 13 -13.816 23.288 -0.008
94 HG3 GLN 13 HG3 GLN 13 -14.079 21.865 1.042
95 HE21 GLN 13 HE21 GLN 13 -17.227 23.334 -1.228
96 HE22 GLN 13 HE22 GLN 13 -15.947 24.410 -0.815
97 H LYS 14 H LYS 14 -14.342 23.957 4.978
98 HA LYS 14 HA LYS 14 -15.645 26.533 5.175
99 HB2 LYS 14 HB2 LYS 14 -15.122 24.347 7.255
100 HB3 LYS 14 HB3 LYS 14 -15.963 25.872 7.627
101 HG2 LYS 14 HG2 LYS 14 -17.675 25.460 5.954
102 HG3 LYS 14 HG3 LYS 14 -16.856 24.010 5.335
103 HD2 LYS 14 HD2 LYS 14 -17.931 24.261 8.215
104 HD3 LYS 14 HD3 LYS 14 -18.916 23.639 6.864
105 HE2 LYS 14 HE2 LYS 14 -17.358 21.831 6.430
106 HE3 LYS 14 HE3 LYS 14 -16.288 22.335 7.749
107 HZ1 LYS 14 HZ1 LYS 14 -18.474 22.084 9.178
108 H ASP 15 H ASP 15 -12.780 25.281 7.106
109 HA ASP 15 HA ASP 15 -11.840 27.618 8.091
110 HB2 ASP 15 H32 ASP 15 -10.347 25.412 6.576
111 HB3 ASP 15 H33 ASP 15 -9.453 26.743 7.312
112 H GLU 16 H GLU 16 -11.643 26.747 4.532
113 HA GLU 16 HA GLU 16 -10.053 29.073 3.967
114 HB2 GLU 16 HB2 GLU 16 -10.112 27.149 2.415
115 HB3 GLU 16 HB3 GLU 16 -11.818 27.459 2.034
116 HG2 GLU 16 HG2 GLU 16 -11.176 29.770 1.172
117 HG3 GLU 16 HG3 GLU 16 -9.477 29.390 1.544
118 H GLN 17 H GLN 17 -13.614 28.408 3.326
119 HA GLN 17 HA GLN 17 -14.182 31.065 2.500
120 HB2 GLN 17 H42 GLN 17 -15.716 29.040 2.226
121 HB3 GLN 17 H43 GLN 17 -15.999 29.066 3.984
122 HG2 GLN 17 H32 GLN 17 -17.903 30.106 3.003
123 HG3 GLN 17 H33 GLN 17 -16.963 31.457 3.660
124 HE21 GLN 17 H61 GLN 17 -16.190 32.763 0.342
125 HE22 GLN 17 H62 GLN 17 -15.752 32.855 2.006
126 H ARG 18 H ARG 18 -14.337 29.531 5.755
127 HA ARG 18 HA ARG 18 -15.335 31.766 7.154
128 HB2 ARG 18 H42 ARG 18 -13.447 29.537 8.103
129 HB3 ARG 18 H43 ARG 18 -14.219 30.721 9.184
130 HG2 ARG 18 H33 ARG 18 -16.476 29.958 8.475
131 HG3 ARG 18 H32 ARG 18 -15.784 28.734 7.402
132 HD2 ARG 18 H52 ARG 18 -14.646 27.659 9.280
133 HD3 ARG 18 H53 ARG 18 -15.384 28.838 10.435
134 HE ARG 18 H10 ARG 18 -17.536 27.734 9.008
135 HH11 ARG 18 H71 ARG 18 -18.739 26.018 9.833
136 HH12 ARG 18 H72 ARG 18 -18.061 24.939 10.997
137 HH21 ARG 18 H81 ARG 18 -14.985 26.576 11.222
138 HH22 ARG 18 H82 ARG 18 -15.957 25.228 11.778
139 H ALA 19 H ALA 19 -11.904 30.797 6.300
140 HA ALA 19 HA ALA 19 -10.782 32.986 7.751
141 HB1 ALA 19 H21 ALA 19 -8.737 32.688 6.294
142 HB2 ALA 19 H22 ALA 19 -9.293 31.214 7.127
143 HB3 ALA 19 H23 ALA 19 -9.625 31.430 5.387
144 H LYS 20 H LYS 20 -11.933 32.651 4.261
145 HA LYS 20 HA LYS 20 -11.013 35.201 3.466
146 HB2 LYS 20 H42 LYS 20 -13.636 33.884 2.549
147 HB3 LYS 20 H43 LYS 20 -12.860 35.286 1.796
148 HG2 LYS 20 H23 LYS 20 -10.798 33.753 1.359
149 HG3 LYS 20 H22 LYS 20 -11.840 32.401 1.871
150 HD2 LYS 20 H33 LYS 20 -11.996 32.368 -0.486
151 HD3 LYS 20 H32 LYS 20 -13.511 33.108 0.064
152 HE2 LYS 20 H53 LYS 20 -12.478 35.403 -0.495
153 HE3 LYS 20 H52 LYS 20 -10.998 34.571 -1.002
154 HZ1 LYS 20 H71 LYS 20 -13.733 34.206 -2.228
155 HZ2 LYS 20 H72 LYS 20 -12.419 35.165 -2.899
156 HZ3 LYS 20 H73 LYS 20 -12.247 33.419 -2.753
157 H LEU 21 H LEU 21 -14.113 34.193 5.095
158 HA LEU 21 HA LEU 21 -15.225 36.838 5.089
159 HB2 LEU 21 HB2 LEU 21 -15.645 34.483 7.020
160 HB3 LEU 21 HB3 LEU 21 -16.626 35.954 7.057
161 HG LEU 21 HG LEU 21 -16.488 34.170 4.552
162 HD11 LEU 21 HD11 LEU 21 -18.631 33.152 5.352
163 HD12 LEU 21 HD12 LEU 21 -17.324 32.832 6.508
164 HD13 LEU 21 HD13 LEU 21 -18.519 34.093 6.871
165 HD21 LEU 21 HD21 LEU 21 -17.385 36.486 4.143
166 HD22 LEU 21 HD22 LEU 21 -18.721 35.320 4.075
167 HD23 LEU 21 HD23 LEU 21 -18.490 36.316 5.522
168 H PHE 22 H PHE 22 -13.168 35.063 7.502
169 HA PHE 22 HA PHE 22 -13.252 37.069 9.480
170 HB2 PHE 22 HB2 PHE 22 -12.325 34.818 9.838
171 HB3 PHE 22 HB3 PHE 22 -10.955 35.175 8.774
172 HD1 PHE 22 HD1 PHE 22 -12.667 36.597 11.890
173 HD2 PHE 22 HD2 PHE 22 -8.972 36.128 9.777
174 HE1 PHE 22 HE1 PHE 22 -11.410 36.954 13.994
175 HE2 PHE 22 HE2 PHE 22 -7.723 36.291 11.897
176 HZ PHE 22 HZ PHE 22 -8.937 36.683 14.014
177 H ILE 23 H ILE 23 -11.075 36.666 6.567
178 HA ILE 23 HA ILE 23 -9.475 38.977 7.193
179 HB ILE 23 HB ILE 23 -9.874 37.251 4.714
180 HG12 ILE 23 HG12 ILE 23 -7.423 37.224 4.707
181 HG13 ILE 23 HG13 ILE 23 -7.355 38.476 5.961
182 HG21 ILE 23 HG21 ILE 23 -8.792 40.094 4.501
183 HG22 ILE 23 HG22 ILE 23 -8.593 38.826 3.261
184 HG23 ILE 23 HG23 ILE 23 -10.211 39.442 3.644
185 HD11 ILE 23 HD11 ILE 23 -8.368 36.880 7.613
186 HD12 ILE 23 HD12 ILE 23 -8.509 35.635 6.348
187 HD13 ILE 23 HD13 ILE 23 -6.905 36.178 6.890
188 H GLU 24 H GLU 24 -12.520 38.647 5.203
189 HA GLU 24 HA GLU 24 -12.494 41.432 4.521
190 HB2 GLU 24 HB2 GLU 24 -14.933 39.607 4.869
191 HB3 GLU 24 HB3 GLU 24 -14.949 41.219 4.114
192 HG2 GLU 24 HG2 GLU 24 -13.478 38.751 3.008
193 HG3 GLU 24 HG3 GLU 24 -14.935 39.495 2.346
194 H TRP 25 H TRP 25 -13.618 39.674 7.441
195 HA TRP 25 HA TRP 25 -14.899 42.009 8.609
196 HB2 TRP 25 HB2 TRP 25 -15.536 39.714 9.287
197 HB3 TRP 25 HB3 TRP 25 -13.862 39.358 9.764
198 HD1 TRP 25 HD1 TRP 25 -16.877 41.434 11.028
199 HE1 TRP 25 HE1 TRP 25 -16.637 41.655 13.522
200 HE3 TRP 25 HE3 TRP 25 -12.119 39.470 11.600
201 HZ2 TRP 25 HZ2 TRP 25 -14.845 41.077 15.512
202 HZ3 TRP 25 HZ3 TRP 25 -11.175 39.436 13.927
203 HH2 TRP 25 HH2 TRP 25 -12.590 40.072 15.855
204 H LEU 26 H LEU 26 -11.547 40.576 8.881
205 HA LEU 26 HA LEU 26 -10.737 42.479 10.903
206 HB2 LEU 26 HB2 LEU 26 -9.121 41.096 8.698
207 HB3 LEU 26 HB3 LEU 26 -8.380 42.116 9.951
208 HG LEU 26 HG LEU 26 -9.934 39.536 10.577
209 HD11 LEU 26 HD11 LEU 26 -7.932 38.994 9.245
210 HD12 LEU 26 HD12 LEU 26 -6.905 40.053 10.248
211 HD13 LEU 26 HD13 LEU 26 -7.605 38.575 10.944
212 HD21 LEU 26 HD21 LEU 26 -8.108 41.292 12.298
213 HD22 LEU 26 HD22 LEU 26 -9.864 41.106 12.532
214 HD23 LEU 26 HD23 LEU 26 -8.799 39.717 12.789
215 H AIB 27 H ALA 27 -10.775 42.478 7.277
216 HB11 AIB 27 H21 ALA 27 -8.858 45.552 7.978
217 HB12 AIB 27 H22 ALA 27 -8.265 44.357 6.796
218 HB13 AIB 27 H23 ALA 27 -8.847 45.960 6.249
219 HB21 AIB 27 H31 ALA 27 -10.526 44.971 4.677
220 HB22 AIB 27 H32 ALA 27 -9.880 43.352 5.071
221 HB23 AIB 27 H33 ALA 27 -11.626 43.680 5.224
222 H ALA 28 H ALA 28 -12.939 44.086 7.422
223 HA ALA 28 HA ALA 28 -13.987 46.716 7.134
224 HB1 ALA 28 H21 ALA 28 -14.884 44.536 9.116
225 HB2 ALA 28 H22 ALA 28 -15.851 45.946 8.627
226 HB3 ALA 28 H23 ALA 28 -15.455 44.671 7.434
227 H GLY 29 H GLY 29 -12.211 45.064 9.791
228 HA2 GLY 29 HA2 GLY 29 -11.119 47.232 10.967
229 HA3 GLY 29 HA3 GLY 29 -12.737 47.214 11.719
230 H GLY 30 H GLY 30 -12.854 44.080 11.685
231 HA2 GLY 30 HA2 GLY 30 -12.006 42.391 13.084
232 HA3 GLY 30 HA3 GLY 30 -10.774 43.509 13.715
233 HA PRO 31 HA PRO 31 -14.292 43.272 16.832
234 HB2 PRO 31 HB2 PRO 31 -11.950 44.521 18.382
235 HB3 PRO 31 HB3 PRO 31 -13.213 43.429 19.017
236 HG2 PRO 31 HG2 PRO 31 -10.789 42.345 18.346
237 HG3 PRO 31 HG3 PRO 31 -12.257 41.564 17.691
238 HD2 PRO 31 HD2 PRO 31 -10.439 43.603 16.271
239 HD3 PRO 31 HD3 PRO 31 -10.973 41.988 15.669
240 H SER 32 H SER 32 -12.069 45.970 15.723
241 HA SER 32 HA SER 32 -13.522 48.110 16.801
242 HB2 SER 32 HB2 SER 32 -12.142 47.953 14.067
243 HB3 SER 32 HB3 SER 32 -12.716 49.454 14.857
244 HG SER 32 HG SER 32 -10.436 49.024 15.351
245 H SER 33 H SER 33 -14.115 46.123 13.761
246 HA SER 33 HA SER 33 -16.169 47.861 12.829
247 HB2 SER 33 HB2 SER 33 -16.842 45.932 11.343
248 HB3 SER 33 HB3 SER 33 -15.108 46.347 11.294
249 HG SER 33 HG SER 33 -15.406 44.023 11.527
250 H GLY 34 H GLY 34 -16.302 45.693 15.622
251 HA2 GLY 34 HA2 GLY 34 -18.042 46.277 17.133
252 HA3 GLY 34 HA3 GLY 34 -19.160 46.551 15.797
253 H ALA 35 H ALA 35 -18.879 44.187 14.245
254 HA ALA 35 HA ALA 35 -20.610 42.580 15.815
255 HB1 ALA 35 HB1 ALA 35 -19.179 41.827 13.220
256 HB2 ALA 35 HB2 ALA 35 -20.618 41.008 13.872
257 HB3 ALA 35 HB3 ALA 35 -20.734 42.704 13.313
258 HA PRO 36 HA PRO 36 -17.452 39.619 17.445
259 HB2 PRO 36 HB2 PRO 36 -19.459 37.473 16.542
260 HB3 PRO 36 HB3 PRO 36 -18.645 37.593 18.134
261 HG2 PRO 36 HG2 PRO 36 -21.244 38.313 17.956
262 HG3 PRO 36 HG3 PRO 36 -20.110 39.428 18.773
263 HD2 PRO 36 HD2 PRO 36 -21.070 39.648 15.843
264 HD3 PRO 36 HD3 PRO 36 -21.130 40.871 17.166
265 HA PRO 37 HA PRO 37 -15.774 38.414 13.478
266 HB2 PRO 37 HB2 PRO 37 -14.403 35.985 13.936
267 HB3 PRO 37 HB3 PRO 37 -13.809 37.585 14.456
268 HG2 PRO 37 HG2 PRO 37 -15.389 35.609 16.128
269 HG3 PRO 37 HG3 PRO 37 -13.868 36.429 16.580
270 HD2 PRO 37 HD2 PRO 37 -16.244 37.455 17.469
271 HD3 PRO 37 HD3 PRO 37 -15.018 38.596 16.804
272 HA PRO 38 HA PRO 38 -19.028 35.890 11.953
273 HB2 PRO 38 HB2 PRO 38 -18.221 35.302 9.338
274 HB3 PRO 38 HB3 PRO 38 -18.529 36.975 9.886
275 HG2 PRO 38 HG2 PRO 38 -15.829 35.574 9.765
276 HG3 PRO 38 HG3 PRO 38 -16.238 37.160 9.063
277 HD2 PRO 38 HD2 PRO 38 -15.054 36.975 11.571
278 HD3 PRO 38 HD3 PRO 38 -16.329 38.210 11.204
279 H SER 39 H SER 39 -19.642 33.719 10.989
280 HA SER 39 HA SER 39 -19.716 31.440 11.472
281 HB2 SER 39 HB2 SER 39 -16.814 31.493 10.507
282 HB3 SER 39 HB3 SER 39 -17.993 30.179 10.350
283 HG SER 39 HG SER 39 -18.176 32.707 9.003
284 HN1 NH2 40 H11 SER 39 -18.218 31.969 14.856
285 HN2 NH2 40 H12 SER 39 -19.187 32.978 13.857
286 H93 EVT 101 H93 XXX 40 -16.386 19.641 14.879
287 H92 EVT 101 H92 XXX 40 -16.224 17.897 15.163
288 H103 EVT 101 H103 XXX 40 -13.924 18.046 13.956
289 H102 EVT 101 H102 XXX 40 -14.060 19.814 14.116
290 H11 EVT 101 H11 XXX 40 -14.043 17.721 16.332
291 H122 EVT 101 H122 XXX 40 -14.638 21.359 19.139
292 H123 EVT 101 H123 XXX 40 -16.173 20.535 18.796
293 H133 EVT 101 H133 XXX 40 -15.633 18.885 20.673
294 H132 EVT 101 H132 XXX 40 -16.021 20.549 21.176
295 H143 EVT 101 H143 XXX 40 -13.648 21.103 21.512
296 H142 EVT 101 H142 XXX 40 -13.130 19.515 20.908
297 H153 EVT 101 H153 XXX 40 -14.308 18.386 22.801
298 H152 EVT 101 H152 XXX 40 -14.908 19.950 23.398
299 H6 EVT 101 H6 XXX 40 -15.828 20.284 12.391
300 H163 EVT 101 H163 XXX 40 -12.554 20.720 23.780
301 H162 EVT 101 H162 XXX 40 -11.938 19.159 23.199
302 H173 EVT 101 H173 XXX 40 -13.110 17.974 25.036
303 H172 EVT 101 H172 XXX 40 -13.796 19.514 25.633
304 H183 EVT 101 H183 XXX 40 -11.480 20.397 26.016
305 H182 EVT 101 H182 XXX 40 -10.795 18.833 25.525
306 H193 EVT 101 H193 XXX 40 -12.597 19.334 27.972
307 H192 EVT 101 H192 XXX 40 -10.852 19.035 27.997
308 H203 EVT 101 H203 XXX 40 -11.258 16.757 26.946
309 H202 EVT 101 H202 XXX 40 -13.014 17.022 27.141
310 H213 EVT 101 H213 XXX 40 -12.733 17.212 29.616
311 H212 EVT 101 H212 XXX 40 -10.973 16.969 29.436
312 H223 EVT 101 H223 XXX 40 -11.388 14.729 28.377
313 H222 EVT 101 H222 XXX 40 -13.140 14.959 28.585
314 H25 EVT 101 H25 XXX 40 -14.836 20.535 16.580
315 H293 EVT 101 H293 XXX 40 -12.859 15.048 31.072
316 H292 EVT 101 H292 XXX 40 -11.097 14.867 30.898
317 H303 EVT 101 H303 XXX 40 -11.404 12.624 29.841
318 H302 EVT 101 H302 XXX 40 -13.170 12.785 29.961
319 H313 EVT 101 H313 XXX 40 -12.966 12.895 32.480
320 H312 EVT 101 H312 XXX 40 -11.201 12.733 32.311
321 H321 EVT 101 H321 XXX 40 -13.280 10.620 31.426
322 H323 EVT 101 H323 XXX 40 -12.206 10.507 32.848
323 H322 EVT 101 H322 XXX 40 -11.513 10.470 31.208
324 H353 EVT 101 H353 XXX 40 -19.029 18.439 9.221
325 H352 EVT 101 H352 XXX 40 -19.960 19.917 9.512
326 H363 EVT 101 H363 XXX 40 -18.768 19.117 11.538
327 H362 EVT 101 H362 XXX 40 -18.236 20.744 11.095
328 H37 EVT 101 H37 XXX 40 -16.695 18.143 10.523
Start of MODEL 4
1 H1 HIS 1 H1 HIS 1 -15.449 7.159 6.868
2 H2 HIS 1 H2 HIS 1 -15.434 5.420 7.040
3 H3 HIS 1 H3 HIS 1 -14.294 6.219 6.010
4 HA HIS 1 HA HIS 1 -16.116 5.172 4.694
5 HB2 HIS 1 HB2 HIS 1 -17.905 7.119 6.287
6 HB3 HIS 1 HB3 HIS 1 -18.455 6.172 4.887
7 HD1 HIS 1 HD1 HIS 1 -18.056 3.520 5.122
8 HD2 HIS 1 HD2 HIS 1 -18.317 5.816 8.628
9 HE1 HIS 1 HE1 HIS 1 -18.650 1.893 6.969
10 H AIB 2 H AIB 2 -17.054 6.268 2.734
11 HB11 AIB 2 H31 AIB 2 -17.559 8.825 0.211
12 HB12 AIB 2 H32 AIB 2 -17.230 7.064 0.321
13 HB13 AIB 2 H33 AIB 2 -18.549 7.784 1.267
14 HB21 AIB 2 H21 AIB 2 -14.814 7.379 1.060
15 HB22 AIB 2 H22 AIB 2 -15.085 9.104 0.696
16 HB23 AIB 2 H23 AIB 2 -14.414 8.616 2.280
17 H GLN 3 H GLN 3 -18.585 8.517 3.673
18 HA GLN 3 HA GLN 3 -19.052 11.242 3.459
19 HB2 GLN 3 H42 GLN 3 -20.596 9.659 4.566
20 HB3 GLN 3 H43 GLN 3 -19.481 9.444 5.929
21 HG2 GLN 3 H32 GLN 3 -20.547 12.227 5.179
22 HG3 GLN 3 H33 GLN 3 -21.511 11.122 6.167
23 HE21 GLN 3 H61 GLN 3 -18.465 13.073 8.017
24 HE22 GLN 3 H62 GLN 3 -18.779 13.365 6.349
25 H GLY 4 H GLY 4 -16.895 9.539 5.895
26 HA2 GLY 4 HA2 GLY 4 -16.109 11.754 7.376
27 HA3 GLY 4 HA3 GLY 4 -15.003 10.418 6.967
28 H THR 5 H THR 5 -14.875 10.705 4.114
29 HA THR 5 HA THR 5 -12.967 12.882 4.072
30 HB THR 5 HB THR 5 -13.932 11.137 1.753
31 HG1 THR 5 HG1 THR 5 -11.713 10.821 3.527
32 HG21 THR 5 HG21 THR 5 -11.757 11.748 0.704
33 HG22 THR 5 HG22 THR 5 -12.751 13.196 0.987
34 HG23 THR 5 HG23 THR 5 -11.379 12.843 2.066
35 H PHE 6 H PHE 6 -16.386 12.465 2.761
36 HA PHE 6 HA PHE 6 -16.385 14.803 1.233
37 HB2 PHE 6 HB2 PHE 6 -18.656 13.454 2.731
38 HB3 PHE 6 HB3 PHE 6 -18.874 15.116 2.217
39 HD1 PHE 6 HD1 PHE 6 -19.045 15.790 -0.075
40 HD2 PHE 6 HD2 PHE 6 -18.268 11.687 0.907
41 HE1 PHE 6 HE1 PHE 6 -19.352 15.172 -2.436
42 HE2 PHE 6 HE2 PHE 6 -18.659 11.062 -1.454
43 HZ PHE 6 HZ PHE 6 -19.046 12.823 -3.158
44 H THR 7 H THR 7 -17.183 14.495 4.779
45 HA THR 7 HA THR 7 -17.511 17.282 5.051
46 HB THR 7 HB THR 7 -18.335 15.803 6.813
47 HG1 THR 7 HG1 THR 7 -17.592 17.292 8.512
48 HG21 THR 7 HG21 THR 7 -16.442 14.185 7.008
49 HG22 THR 7 HG22 THR 7 -15.366 15.475 7.602
50 HG23 THR 7 HG23 THR 7 -16.753 14.944 8.584
51 H SER 8 H SER 8 -14.504 15.272 5.011
52 HA SER 8 HA SER 8 -12.906 17.177 6.266
53 HB2 SER 8 HB2 SER 8 -10.985 16.093 5.518
54 HB3 SER 8 HB3 SER 8 -12.194 14.790 5.575
55 HG SER 8 HG SER 8 -12.316 15.088 3.198
56 H ASP 9 H ASP 9 -13.799 16.859 2.731
57 HA ASP 9 HA ASP 9 -12.105 19.136 2.015
58 HB2 ASP 9 HB2 ASP 9 -12.685 17.263 0.438
59 HB3 ASP 9 HB3 ASP 9 -14.377 17.825 0.422
60 H LEU 10 H LEU 10 -15.688 18.576 2.552
61 HA LEU 10 HA LEU 10 -16.425 21.188 1.754
62 HB2 LEU 10 HB2 LEU 10 -17.615 19.323 3.860
63 HB3 LEU 10 HB3 LEU 10 -18.421 20.833 3.408
64 HG LEU 10 HG LEU 10 -17.738 18.731 1.269
65 HD11 LEU 10 HD11 LEU 10 -19.069 17.570 2.983
66 HD12 LEU 10 HD12 LEU 10 -20.280 18.886 2.979
67 HD13 LEU 10 HD13 LEU 10 -20.073 17.839 1.542
68 HD21 LEU 10 HD21 LEU 10 -19.603 19.808 0.037
69 HD22 LEU 10 HD22 LEU 10 -19.888 20.928 1.395
70 HD23 LEU 10 HD23 LEU 10 -18.378 21.034 0.447
71 H SER 11 H SER 11 -15.286 19.916 4.960
72 HA SER 11 HA SER 11 -15.626 22.420 6.311
73 HB2 SER 11 HB2 SER 11 -14.109 21.652 8.029
74 HB3 SER 11 HB3 SER 11 -15.249 20.359 7.641
75 HG SER 11 HG SER 11 -13.461 19.438 6.362
76 H LYS 12 H LYS 12 -12.746 20.961 4.515
77 HA LYS 12 HA LYS 12 -11.017 23.117 5.124
78 HB2 LYS 12 HB2 LYS 12 -10.439 20.919 4.083
79 HB3 LYS 12 HB3 LYS 12 -11.079 21.478 2.522
80 HG2 LYS 12 HG2 LYS 12 -8.841 22.878 4.115
81 HG3 LYS 12 HG3 LYS 12 -8.550 21.597 2.918
82 HD2 LYS 12 HD2 LYS 12 -9.502 22.960 1.106
83 HD3 LYS 12 HD3 LYS 12 -9.862 24.296 2.216
84 HE2 LYS 12 HE2 LYS 12 -7.460 24.538 2.780
85 HE3 LYS 12 HE3 LYS 12 -7.045 23.219 1.662
86 HZ1 LYS 12 HZ1 LYS 12 -8.332 25.874 0.918
87 HZ2 LYS 12 HZ2 LYS 12 -6.707 25.383 0.562
88 HZ3 LYS 12 HZ3 LYS 12 -8.033 24.577 -0.204
89 H GLN 13 H GLN 13 -13.407 22.674 2.423
90 HA GLN 13 HA GLN 13 -12.888 25.175 1.170
91 HB2 GLN 13 HB2 GLN 13 -15.438 23.492 1.352
92 HB3 GLN 13 HB3 GLN 13 -15.337 24.958 0.359
93 HG2 GLN 13 HG2 GLN 13 -13.578 24.038 -1.048
94 HG3 GLN 13 HG3 GLN 13 -13.444 22.578 -0.048
95 HE21 GLN 13 HE21 GLN 13 -15.641 21.892 -3.074
96 HE22 GLN 13 HE22 GLN 13 -14.100 22.649 -2.964
97 H LYS 14 H LYS 14 -15.213 24.322 3.892
98 HA LYS 14 HA LYS 14 -16.171 27.053 4.001
99 HB2 LYS 14 HB2 LYS 14 -16.297 24.770 6.032
100 HB3 LYS 14 HB3 LYS 14 -16.853 26.416 6.411
101 HG2 LYS 14 HG2 LYS 14 -18.431 26.444 4.584
102 HG3 LYS 14 HG3 LYS 14 -17.861 24.894 3.942
103 HD2 LYS 14 HD2 LYS 14 -19.018 25.135 6.765
104 HD3 LYS 14 HD3 LYS 14 -20.091 24.918 5.363
105 HE2 LYS 14 HE2 LYS 14 -19.133 22.818 4.736
106 HE3 LYS 14 HE3 LYS 14 -17.855 22.929 5.947
107 HZ1 LYS 14 HZ1 LYS 14 -19.789 23.024 7.655
108 H ASP 15 H ASP 15 -13.818 25.329 6.259
109 HA ASP 15 HA ASP 15 -12.809 27.488 7.590
110 HB2 ASP 15 H32 ASP 15 -11.317 25.152 6.321
111 HB3 ASP 15 H33 ASP 15 -10.500 26.314 7.368
112 H GLU 16 H GLU 16 -12.162 26.725 4.067
113 HA GLU 16 HA GLU 16 -10.160 28.766 3.832
114 HB2 GLU 16 HB2 GLU 16 -10.503 26.826 2.189
115 HB3 GLU 16 HB3 GLU 16 -11.943 27.657 1.566
116 HG2 GLU 16 HG2 GLU 16 -10.450 29.660 1.013
117 HG3 GLU 16 HG3 GLU 16 -9.063 28.679 1.555
118 H GLN 17 H GLN 17 -13.711 28.665 3.005
119 HA GLN 17 HA GLN 17 -13.783 31.450 2.216
120 HB2 GLN 17 H42 GLN 17 -15.430 29.779 1.410
121 HB3 GLN 17 H43 GLN 17 -16.042 29.552 3.061
122 HG2 GLN 17 H32 GLN 17 -17.517 31.020 1.788
123 HG3 GLN 17 H33 GLN 17 -16.786 31.953 3.111
124 HE21 GLN 17 H61 GLN 17 -14.984 34.193 0.948
125 HE22 GLN 17 H62 GLN 17 -15.158 33.656 2.571
126 H ARG 18 H ARG 18 -14.936 29.744 5.194
127 HA ARG 18 HA ARG 18 -15.672 31.943 6.688
128 HB2 ARG 18 H42 ARG 18 -14.196 29.409 7.549
129 HB3 ARG 18 H43 ARG 18 -14.849 30.546 8.739
130 HG2 ARG 18 H33 ARG 18 -17.151 30.277 7.878
131 HG3 ARG 18 H32 ARG 18 -16.595 29.108 6.654
132 HD2 ARG 18 H52 ARG 18 -15.755 27.610 8.371
133 HD3 ARG 18 H53 ARG 18 -16.341 28.694 9.674
134 HE ARG 18 H10 ARG 18 -18.558 28.235 7.982
135 HH11 ARG 18 H71 ARG 18 -20.130 26.723 8.506
136 HH12 ARG 18 H72 ARG 18 -19.773 25.412 9.564
137 HH21 ARG 18 H81 ARG 18 -16.460 26.348 10.145
138 HH22 ARG 18 H82 ARG 18 -17.719 25.173 10.489
139 H ALA 19 H ALA 19 -12.257 30.655 6.232
140 HA ALA 19 HA ALA 19 -11.124 32.607 8.005
141 HB1 ALA 19 H21 ALA 19 -9.853 31.231 5.558
142 HB2 ALA 19 H22 ALA 19 -8.983 32.197 6.785
143 HB3 ALA 19 H23 ALA 19 -9.790 30.678 7.259
144 H LYS 20 H LYS 20 -11.769 32.623 4.414
145 HA LYS 20 HA LYS 20 -10.723 35.239 4.051
146 HB2 LYS 20 H42 LYS 20 -12.791 33.650 2.474
147 HB3 LYS 20 H43 LYS 20 -12.257 35.246 1.931
148 HG2 LYS 20 H23 LYS 20 -9.981 34.525 1.623
149 HG3 LYS 20 H22 LYS 20 -10.224 33.063 2.584
150 HD2 LYS 20 H33 LYS 20 -10.059 32.497 0.206
151 HD3 LYS 20 H32 LYS 20 -11.636 32.029 0.868
152 HE2 LYS 20 H53 LYS 20 -11.825 33.002 -1.398
153 HE3 LYS 20 H52 LYS 20 -12.772 33.896 -0.193
154 HZ1 LYS 20 H71 LYS 20 -10.020 34.696 -1.182
155 HZ2 LYS 20 H72 LYS 20 -11.527 35.314 -1.846
156 HZ3 LYS 20 H73 LYS 20 -11.095 35.660 -0.184
157 H LEU 21 H LEU 21 -14.005 34.156 5.223
158 HA LEU 21 HA LEU 21 -15.154 36.803 5.045
159 HB2 LEU 21 HB2 LEU 21 -15.774 34.530 7.029
160 HB3 LEU 21 HB3 LEU 21 -16.744 36.002 6.837
161 HG LEU 21 HG LEU 21 -16.383 33.860 4.661
162 HD11 LEU 21 HD11 LEU 21 -18.737 33.275 5.171
163 HD12 LEU 21 HD12 LEU 21 -17.753 33.082 6.638
164 HD13 LEU 21 HD13 LEU 21 -18.788 34.517 6.452
165 HD21 LEU 21 HD21 LEU 21 -18.342 35.116 3.568
166 HD22 LEU 21 HD22 LEU 21 -18.109 36.425 4.755
167 HD23 LEU 21 HD23 LEU 21 -16.815 36.019 3.588
168 H PHE 22 H PHE 22 -13.315 35.004 7.639
169 HA PHE 22 HA PHE 22 -13.492 37.079 9.552
170 HB2 PHE 22 HB2 PHE 22 -12.708 34.839 10.079
171 HB3 PHE 22 HB3 PHE 22 -11.238 35.053 9.119
172 HD1 PHE 22 HD1 PHE 22 -13.089 36.308 12.134
173 HD2 PHE 22 HD2 PHE 22 -9.333 36.295 10.081
174 HE1 PHE 22 HE1 PHE 22 -11.969 36.947 14.221
175 HE2 PHE 22 HE2 PHE 22 -8.169 36.719 12.229
176 HZ PHE 22 HZ PHE 22 -9.485 37.174 14.277
177 H ILE 23 H ILE 23 -11.123 36.581 6.787
178 HA ILE 23 HA ILE 23 -9.595 38.912 7.452
179 HB ILE 23 HB ILE 23 -9.921 37.294 4.916
180 HG12 ILE 23 HG12 ILE 23 -7.413 37.327 4.980
181 HG13 ILE 23 HG13 ILE 23 -7.468 38.424 6.375
182 HG21 ILE 23 HG21 ILE 23 -8.773 40.128 4.822
183 HG22 ILE 23 HG22 ILE 23 -8.628 38.903 3.542
184 HG23 ILE 23 HG23 ILE 23 -10.226 39.534 3.977
185 HD11 ILE 23 HD11 ILE 23 -8.588 35.550 6.287
186 HD12 ILE 23 HD12 ILE 23 -7.056 36.024 7.067
187 HD13 ILE 23 HD13 ILE 23 -8.598 36.613 7.731
188 H GLU 24 H GLU 24 -12.634 38.588 5.443
189 HA GLU 24 HA GLU 24 -12.600 41.362 4.731
190 HB2 GLU 24 HB2 GLU 24 -15.020 39.504 5.073
191 HB3 GLU 24 HB3 GLU 24 -15.078 41.158 4.407
192 HG2 GLU 24 HG2 GLU 24 -13.494 40.486 2.559
193 HG3 GLU 24 HG3 GLU 24 -13.450 38.833 3.195
194 H TRP 25 H TRP 25 -13.934 39.618 7.628
195 HA TRP 25 HA TRP 25 -15.056 41.950 8.840
196 HB2 TRP 25 HB2 TRP 25 -15.636 39.740 9.622
197 HB3 TRP 25 HB3 TRP 25 -13.955 39.340 10.018
198 HD1 TRP 25 HD1 TRP 25 -16.857 41.483 11.368
199 HE1 TRP 25 HE1 TRP 25 -16.477 41.792 13.839
200 HE3 TRP 25 HE3 TRP 25 -12.148 39.364 11.804
201 HZ2 TRP 25 HZ2 TRP 25 -14.560 41.374 15.729
202 HZ3 TRP 25 HZ3 TRP 25 -11.117 39.368 14.083
203 HH2 TRP 25 HH2 TRP 25 -12.333 40.252 16.023
204 H LEU 26 H LEU 26 -11.693 40.549 9.055
205 HA LEU 26 HA LEU 26 -10.785 42.482 10.952
206 HB2 LEU 26 HB2 LEU 26 -9.268 41.084 8.693
207 HB3 LEU 26 HB3 LEU 26 -8.462 42.103 9.901
208 HG LEU 26 HG LEU 26 -9.967 39.497 10.546
209 HD11 LEU 26 HD11 LEU 26 -7.607 38.605 10.898
210 HD12 LEU 26 HD12 LEU 26 -7.897 39.088 9.215
211 HD13 LEU 26 HD13 LEU 26 -6.954 40.145 10.302
212 HD21 LEU 26 HD21 LEU 26 -8.224 41.315 12.308
213 HD22 LEU 26 HD22 LEU 26 -9.971 41.036 12.520
214 HD23 LEU 26 HD23 LEU 26 -8.837 39.699 12.770
215 H AIB 27 H ALA 27 -10.897 42.507 7.338
216 HB11 AIB 27 H21 ALA 27 -8.853 45.530 8.019
217 HB12 AIB 27 H22 ALA 27 -8.319 44.356 6.799
218 HB13 AIB 27 H23 ALA 27 -8.908 45.962 6.303
219 HB21 AIB 27 H31 ALA 27 -10.609 45.005 4.744
220 HB22 AIB 27 H32 ALA 27 -9.986 43.374 5.139
221 HB23 AIB 27 H33 ALA 27 -11.729 43.721 5.273
222 H ALA 28 H ALA 28 -12.967 44.146 7.587
223 HA ALA 28 HA ALA 28 -13.853 46.880 7.254
224 HB1 ALA 28 H21 ALA 28 -15.116 44.519 8.749
225 HB2 ALA 28 H22 ALA 28 -15.991 46.014 8.317
226 HB3 ALA 28 H23 ALA 28 -15.426 44.911 7.036
227 H GLY 29 H GLY 29 -11.914 45.492 9.789
228 HA2 GLY 29 HA2 GLY 29 -11.489 47.525 11.326
229 HA3 GLY 29 HA3 GLY 29 -13.144 47.200 11.883
230 H GLY 30 H GLY 30 -12.870 44.146 11.505
231 HA2 GLY 30 HA2 GLY 30 -12.264 42.411 12.938
232 HA3 GLY 30 HA3 GLY 30 -10.877 43.398 13.432
233 HA PRO 31 HA PRO 31 -13.798 43.531 17.106
234 HB2 PRO 31 HB2 PRO 31 -11.194 45.021 17.888
235 HB3 PRO 31 HB3 PRO 31 -12.256 44.085 18.973
236 HG2 PRO 31 HG2 PRO 31 -10.101 42.797 18.043
237 HG3 PRO 31 HG3 PRO 31 -11.680 42.015 17.723
238 HD2 PRO 31 HD2 PRO 31 -10.147 43.817 15.756
239 HD3 PRO 31 HD3 PRO 31 -10.764 42.152 15.467
240 H SER 32 H SER 32 -12.021 46.160 15.301
241 HA SER 32 HA SER 32 -13.458 48.290 16.622
242 HB2 SER 32 HB2 SER 32 -12.012 48.322 13.911
243 HB3 SER 32 HB3 SER 32 -12.474 49.737 14.893
244 HG SER 32 HG SER 32 -10.217 49.079 15.261
245 H SER 33 H SER 33 -14.219 46.091 13.879
246 HA SER 33 HA SER 33 -15.576 47.892 12.272
247 HB2 SER 33 HB2 SER 33 -16.948 45.935 11.484
248 HB3 SER 33 HB3 SER 33 -15.210 45.550 11.558
249 HG SER 33 HG SER 33 -16.559 43.913 12.681
250 H GLY 34 H GLY 34 -16.912 45.890 15.021
251 HA2 GLY 34 HA2 GLY 34 -18.767 46.908 16.345
252 HA3 GLY 34 HA3 GLY 34 -19.472 47.483 14.815
253 H ALA 35 H ALA 35 -18.895 45.233 13.078
254 HA ALA 35 HA ALA 35 -21.138 43.608 13.816
255 HB1 ALA 35 HB1 ALA 35 -19.019 43.088 11.675
256 HB2 ALA 35 HB2 ALA 35 -20.586 42.239 11.833
257 HB3 ALA 35 HB3 ALA 35 -20.540 43.979 11.411
258 HA PRO 36 HA PRO 36 -18.477 40.727 16.289
259 HB2 PRO 36 HB2 PRO 36 -20.550 38.747 15.129
260 HB3 PRO 36 HB3 PRO 36 -19.939 38.772 16.810
261 HG2 PRO 36 HG2 PRO 36 -22.342 39.819 16.368
262 HG3 PRO 36 HG3 PRO 36 -21.158 40.851 17.229
263 HD2 PRO 36 HD2 PRO 36 -21.839 41.004 14.224
264 HD3 PRO 36 HD3 PRO 36 -21.799 42.286 15.493
265 HA PRO 37 HA PRO 37 -16.239 38.708 12.864
266 HB2 PRO 37 HB2 PRO 37 -14.960 36.571 14.083
267 HB3 PRO 37 HB3 PRO 37 -14.589 38.244 14.541
268 HG2 PRO 37 HG2 PRO 37 -16.625 36.413 15.893
269 HG3 PRO 37 HG3 PRO 37 -15.207 37.189 16.662
270 HD2 PRO 37 HD2 PRO 37 -17.647 38.388 16.809
271 HD3 PRO 37 HD3 PRO 37 -16.222 39.425 16.432
272 HA PRO 38 HA PRO 38 -19.386 35.831 11.567
273 HB2 PRO 38 HB2 PRO 38 -18.234 34.517 9.436
274 HB3 PRO 38 HB3 PRO 38 -18.309 36.294 9.465
275 HG2 PRO 38 HG2 PRO 38 -15.913 34.658 10.436
276 HG3 PRO 38 HG3 PRO 38 -15.897 35.864 9.120
277 HD2 PRO 38 HD2 PRO 38 -15.271 36.643 11.644
278 HD3 PRO 38 HD3 PRO 38 -16.350 37.681 10.659
279 H SER 39 H SER 39 -18.891 34.821 13.963
280 HA SER 39 HA SER 39 -17.461 32.315 13.944
281 HB2 SER 39 HB2 SER 39 -19.611 33.026 15.999
282 HB3 SER 39 HB3 SER 39 -18.284 31.870 16.158
283 HG SER 39 HG SER 39 -16.855 33.806 16.023
284 HN1 NH2 40 H11 SER 39 -21.542 31.678 13.338
285 HN2 NH2 40 H12 SER 39 -21.026 33.171 14.008
286 H93 EVT 101 H93 XXX 40 -19.339 18.622 13.546
287 H92 EVT 101 H92 XXX 40 -18.093 17.590 12.837
288 H103 EVT 101 H103 XXX 40 -16.543 19.427 12.640
289 H102 EVT 101 H102 XXX 40 -17.782 20.650 12.955
290 H11 EVT 101 H11 XXX 40 -16.940 18.549 15.032
291 H122 EVT 101 H122 XXX 40 -20.269 20.809 17.208
292 H123 EVT 101 H123 XXX 40 -21.048 19.847 15.931
293 H133 EVT 101 H133 XXX 40 -21.166 17.883 17.569
294 H132 EVT 101 H132 XXX 40 -22.146 19.301 18.005
295 H143 EVT 101 H143 XXX 40 -20.379 20.097 19.585
296 H142 EVT 101 H142 XXX 40 -19.394 18.660 19.198
297 H153 EVT 101 H153 XXX 40 -21.266 17.177 20.015
298 H152 EVT 101 H152 XXX 40 -22.195 18.628 20.475
299 H6 EVT 101 H6 XXX 40 -20.171 20.497 12.178
300 H163 EVT 101 H163 XXX 40 -20.458 19.305 22.100
301 H162 EVT 101 H162 XXX 40 -19.415 17.954 21.576
302 H173 EVT 101 H173 XXX 40 -21.228 16.341 22.283
303 H172 EVT 101 H172 XXX 40 -22.150 17.702 22.967
304 H183 EVT 101 H183 XXX 40 -20.260 18.248 24.507
305 H182 EVT 101 H182 XXX 40 -19.280 16.934 23.823
306 H193 EVT 101 H193 XXX 40 -21.971 16.546 25.263
307 H192 EVT 101 H192 XXX 40 -20.382 16.369 26.040
308 H203 EVT 101 H203 XXX 40 -19.776 14.543 24.403
309 H202 EVT 101 H202 XXX 40 -21.430 14.615 23.739
310 H213 EVT 101 H213 XXX 40 -22.374 14.087 25.988
311 H212 EVT 101 H212 XXX 40 -20.726 13.914 26.640
312 H223 EVT 101 H223 XXX 40 -20.326 12.044 24.981
313 H222 EVT 101 H222 XXX 40 -21.965 12.269 24.358
314 H25 EVT 101 H25 XXX 40 -18.827 20.893 15.133
315 H293 EVT 101 H293 XXX 40 -22.793 11.816 26.840
316 H292 EVT 101 H292 XXX 40 -21.102 11.403 27.163
317 H303 EVT 101 H303 XXX 40 -22.033 9.302 26.808
318 H302 EVT 101 H302 XXX 40 -21.438 9.656 25.165
319 H313 EVT 101 H313 XXX 40 -24.334 9.974 26.220
320 H312 EVT 101 H312 XXX 40 -23.741 8.617 25.242
321 H321 EVT 101 H321 XXX 40 -24.141 11.523 24.320
322 H323 EVT 101 H323 XXX 40 -24.956 10.060 23.742
323 H322 EVT 101 H322 XXX 40 -23.231 10.303 23.373
324 H353 EVT 101 H353 XXX 40 -21.656 19.897 7.423
325 H352 EVT 101 H352 XXX 40 -21.791 21.531 8.082
326 H363 EVT 101 H363 XXX 40 -19.384 21.135 9.113
327 H362 EVT 101 H362 XXX 40 -19.570 19.460 8.583
328 H37 EVT 101 H37 XXX 40 -21.503 21.011 10.408
Start of MODEL 5
1 H1 HIS 1 H1 HIS 1 -10.822 8.742 8.222
2 H2 HIS 1 H2 HIS 1 -9.914 7.277 8.503
3 H3 HIS 1 H3 HIS 1 -9.849 8.034 6.977
4 HA HIS 1 HA HIS 1 -11.314 5.982 7.005
5 HB2 HIS 1 HB2 HIS 1 -13.104 7.841 8.694
6 HB3 HIS 1 HB3 HIS 1 -13.542 6.195 8.160
7 HD1 HIS 1 HD1 HIS 1 -11.426 4.419 8.908
8 HD2 HIS 1 HD2 HIS 1 -12.317 7.816 11.224
9 HE1 HIS 1 HE1 HIS 1 -10.504 3.944 11.199
10 H AIB 2 H AIB 2 -13.657 6.085 5.800
11 HB11 AIB 2 H31 AIB 2 -16.050 7.534 3.430
12 HB12 AIB 2 H32 AIB 2 -15.363 5.943 3.864
13 HB13 AIB 2 H33 AIB 2 -16.063 6.985 5.129
14 HB21 AIB 2 H21 AIB 2 -13.052 6.425 2.930
15 HB22 AIB 2 H22 AIB 2 -13.796 7.888 2.237
16 HB23 AIB 2 H23 AIB 2 -12.297 8.023 3.193
17 H GLN 3 H GLN 3 -14.925 8.603 6.677
18 HA GLN 3 HA GLN 3 -15.801 11.161 5.855
19 HB2 GLN 3 H42 GLN 3 -16.297 10.122 8.100
20 HB3 GLN 3 H43 GLN 3 -14.598 10.368 8.569
21 HG2 GLN 3 H32 GLN 3 -14.911 12.853 8.202
22 HG3 GLN 3 H33 GLN 3 -16.639 12.563 7.860
23 HE21 GLN 3 H61 GLN 3 -16.241 13.570 11.467
24 HE22 GLN 3 H62 GLN 3 -15.874 14.326 9.967
25 H GLY 4 H GLY 4 -12.544 10.128 7.201
26 HA2 GLY 4 HA2 GLY 4 -11.119 12.417 7.288
27 HA3 GLY 4 HA3 GLY 4 -10.443 10.964 6.524
28 H THR 5 H THR 5 -11.630 10.584 4.157
29 HA THR 5 HA THR 5 -10.396 12.499 2.503
30 HB THR 5 HB THR 5 -12.769 10.659 1.845
31 HG1 THR 5 HG1 THR 5 -10.947 9.311 1.124
32 HG21 THR 5 HG21 THR 5 -12.003 10.890 -0.533
33 HG22 THR 5 HG22 THR 5 -12.552 12.456 0.109
34 HG23 THR 5 HG23 THR 5 -10.807 12.107 -0.030
35 H PHE 6 H PHE 6 -13.945 12.246 3.437
36 HA PHE 6 HA PHE 6 -14.575 14.620 1.898
37 HB2 PHE 6 HB2 PHE 6 -16.175 13.055 3.993
38 HB3 PHE 6 HB3 PHE 6 -16.674 14.649 3.379
39 HD1 PHE 6 HD1 PHE 6 -18.737 13.737 2.504
40 HD2 PHE 6 HD2 PHE 6 -14.972 12.205 1.081
41 HE1 PHE 6 HE1 PHE 6 -19.883 12.657 0.607
42 HE2 PHE 6 HE2 PHE 6 -16.115 11.278 -0.895
43 HZ PHE 6 HZ PHE 6 -18.561 11.524 -1.161
44 H THR 7 H THR 7 -14.615 14.217 5.595
45 HA THR 7 HA THR 7 -14.978 16.919 5.969
46 HB THR 7 HB THR 7 -15.169 15.254 7.783
47 HG1 THR 7 HG1 THR 7 -14.367 16.816 9.369
48 HG21 THR 7 HG21 THR 7 -12.900 14.089 7.412
49 HG22 THR 7 HG22 THR 7 -12.109 15.537 8.076
50 HG23 THR 7 HG23 THR 7 -13.198 14.569 9.103
51 H SER 8 H SER 8 -11.793 15.266 5.358
52 HA SER 8 HA SER 8 -10.242 17.424 6.285
53 HB2 SER 8 HB2 SER 8 -8.401 16.717 4.821
54 HB3 SER 8 HB3 SER 8 -9.109 15.333 5.689
55 HG SER 8 HG SER 8 -10.205 14.814 3.655
56 H ASP 9 H ASP 9 -11.459 16.772 2.874
57 HA ASP 9 HA ASP 9 -10.457 19.370 2.018
58 HB2 ASP 9 HB2 ASP 9 -10.615 17.468 0.432
59 HB3 ASP 9 HB3 ASP 9 -12.382 17.456 0.639
60 H LEU 10 H LEU 10 -13.789 18.023 2.742
61 HA LEU 10 HA LEU 10 -15.161 20.384 2.044
62 HB2 LEU 10 HB2 LEU 10 -15.818 18.459 4.353
63 HB3 LEU 10 HB3 LEU 10 -16.918 19.699 3.723
64 HG LEU 10 HG LEU 10 -15.969 17.195 2.197
65 HD11 LEU 10 HD11 LEU 10 -17.694 16.817 3.994
66 HD12 LEU 10 HD12 LEU 10 -18.745 18.024 3.207
67 HD13 LEU 10 HD13 LEU 10 -18.352 16.504 2.366
68 HD21 LEU 10 HD21 LEU 10 -17.740 19.535 1.284
69 HD22 LEU 10 HD22 LEU 10 -16.232 18.967 0.515
70 HD23 LEU 10 HD23 LEU 10 -17.688 17.960 0.456
71 H SER 11 H SER 11 -13.404 19.550 5.088
72 HA SER 11 HA SER 11 -14.250 21.980 6.403
73 HB2 SER 11 HB2 SER 11 -12.583 21.607 8.082
74 HB3 SER 11 HB3 SER 11 -13.361 20.058 7.730
75 HG SER 11 HG SER 11 -11.407 19.586 6.455
76 H LYS 12 H LYS 12 -11.277 21.071 4.436
77 HA LYS 12 HA LYS 12 -9.965 23.557 4.778
78 HB2 LYS 12 HB2 LYS 12 -9.108 21.427 3.654
79 HB3 LYS 12 HB3 LYS 12 -10.068 21.846 2.214
80 HG2 LYS 12 HG2 LYS 12 -7.755 23.498 3.419
81 HG3 LYS 12 HG3 LYS 12 -7.656 22.363 2.061
82 HD2 LYS 12 HD2 LYS 12 -9.498 23.910 0.927
83 HD3 LYS 12 HD3 LYS 12 -8.970 25.118 2.124
84 HE2 LYS 12 HE2 LYS 12 -6.549 24.705 1.284
85 HE3 LYS 12 HE3 LYS 12 -7.263 23.739 -0.032
86 HZ1 LYS 12 HZ1 LYS 12 -6.811 26.019 -0.774
87 HZ2 LYS 12 HZ2 LYS 12 -8.535 25.759 -0.743
88 HZ3 LYS 12 HZ3 LYS 12 -7.807 26.675 0.505
89 H GLN 13 H GLN 13 -12.623 22.591 2.492
90 HA GLN 13 HA GLN 13 -12.714 25.154 1.203
91 HB2 GLN 13 HB2 GLN 13 -14.892 23.019 1.568
92 HB3 GLN 13 HB3 GLN 13 -15.111 24.513 0.627
93 HG2 GLN 13 HG2 GLN 13 -13.263 23.880 -0.914
94 HG3 GLN 13 HG3 GLN 13 -12.979 22.389 0.004
95 HE21 GLN 13 HE21 GLN 13 -15.780 20.696 -1.473
96 HE22 GLN 13 HE22 GLN 13 -14.497 20.575 -0.325
97 H LYS 14 H LYS 14 -14.687 23.819 4.015
98 HA LYS 14 HA LYS 14 -16.092 26.323 4.319
99 HB2 LYS 14 HB2 LYS 14 -15.572 24.054 6.312
100 HB3 LYS 14 HB3 LYS 14 -16.481 25.520 6.741
101 HG2 LYS 14 HG2 LYS 14 -18.168 25.097 5.007
102 HG3 LYS 14 HG3 LYS 14 -17.254 23.718 4.363
103 HD2 LYS 14 HD2 LYS 14 -18.143 23.685 7.281
104 HD3 LYS 14 HD3 LYS 14 -19.329 23.317 6.010
105 HE2 LYS 14 HE2 LYS 14 -17.944 21.451 5.144
106 HE3 LYS 14 HE3 LYS 14 -16.661 21.834 6.300
107 HZ1 LYS 14 HZ1 LYS 14 -17.875 20.763 7.967
108 H ASP 15 H ASP 15 -13.302 25.056 6.329
109 HA ASP 15 HA ASP 15 -12.678 27.339 7.666
110 HB2 ASP 15 H32 ASP 15 -10.785 25.345 6.304
111 HB3 ASP 15 H33 ASP 15 -10.167 26.647 7.323
112 H GLU 16 H GLU 16 -11.961 26.768 4.125
113 HA GLU 16 HA GLU 16 -10.327 29.134 3.945
114 HB2 GLU 16 HB2 GLU 16 -10.252 27.354 2.205
115 HB3 GLU 16 HB3 GLU 16 -11.914 27.754 1.716
116 HG2 GLU 16 HG2 GLU 16 -11.113 30.088 1.071
117 HG3 GLU 16 HG3 GLU 16 -9.488 29.678 1.653
118 H GLN 17 H GLN 17 -13.875 28.572 3.191
119 HA GLN 17 HA GLN 17 -14.361 31.289 2.513
120 HB2 GLN 17 H42 GLN 17 -16.038 29.478 2.114
121 HB3 GLN 17 H43 GLN 17 -16.240 29.255 3.866
122 HG2 GLN 17 H32 GLN 17 -18.112 30.541 2.992
123 HG3 GLN 17 H33 GLN 17 -17.157 31.629 4.016
124 HE21 GLN 17 H61 GLN 17 -16.168 33.739 1.242
125 HE22 GLN 17 H62 GLN 17 -15.749 33.292 2.847
126 H ARG 18 H ARG 18 -14.464 29.532 5.688
127 HA ARG 18 HA ARG 18 -15.545 31.713 7.170
128 HB2 ARG 18 H42 ARG 18 -13.708 29.455 8.114
129 HB3 ARG 18 H43 ARG 18 -14.576 30.570 9.182
130 HG2 ARG 18 H33 ARG 18 -16.773 29.757 8.410
131 HG3 ARG 18 H32 ARG 18 -16.017 28.698 7.207
132 HD2 ARG 18 H52 ARG 18 -14.857 27.462 9.023
133 HD3 ARG 18 H53 ARG 18 -15.764 28.423 10.231
134 HE ARG 18 H10 ARG 18 -17.630 27.293 8.410
135 HH11 ARG 18 H71 ARG 18 -18.759 25.416 8.921
136 HH12 ARG 18 H72 ARG 18 -18.202 24.363 10.171
137 HH21 ARG 18 H81 ARG 18 -15.370 26.249 10.951
138 HH22 ARG 18 H82 ARG 18 -16.309 24.814 11.323
139 H ALA 19 H ALA 19 -12.138 30.752 6.358
140 HA ALA 19 HA ALA 19 -10.942 32.850 7.902
141 HB1 ALA 19 H21 ALA 19 -9.911 31.427 5.373
142 HB2 ALA 19 H22 ALA 19 -8.935 32.520 6.395
143 HB3 ALA 19 H23 ALA 19 -9.563 30.990 7.069
144 H LYS 20 H LYS 20 -11.965 32.671 4.370
145 HA LYS 20 HA LYS 20 -11.037 35.255 3.740
146 HB2 LYS 20 H42 LYS 20 -13.390 33.664 2.586
147 HB3 LYS 20 H43 LYS 20 -12.897 35.261 1.967
148 HG2 LYS 20 H23 LYS 20 -10.688 34.441 1.330
149 HG3 LYS 20 H22 LYS 20 -10.949 32.898 2.166
150 HD2 LYS 20 H33 LYS 20 -11.179 32.628 -0.289
151 HD3 LYS 20 H32 LYS 20 -12.668 32.196 0.593
152 HE2 LYS 20 H53 LYS 20 -13.152 33.388 -1.510
153 HE3 LYS 20 H52 LYS 20 -13.737 34.307 -0.110
154 HZ1 LYS 20 H71 LYS 20 -11.122 34.829 -1.563
155 HZ2 LYS 20 H72 LYS 20 -12.623 35.698 -1.849
156 HZ3 LYS 20 H73 LYS 20 -11.832 35.815 -0.289
157 H LEU 21 H LEU 21 -14.190 34.204 5.277
158 HA LEU 21 HA LEU 21 -15.314 36.866 5.242
159 HB2 LEU 21 HB2 LEU 21 -15.745 34.572 7.252
160 HB3 LEU 21 HB3 LEU 21 -16.701 36.068 7.239
161 HG LEU 21 HG LEU 21 -16.615 34.179 4.821
162 HD11 LEU 21 HD11 LEU 21 -18.780 33.258 5.601
163 HD12 LEU 21 HD12 LEU 21 -17.505 32.928 6.783
164 HD13 LEU 21 HD13 LEU 21 -18.674 34.231 7.106
165 HD21 LEU 21 HD21 LEU 21 -18.772 35.342 4.236
166 HD22 LEU 21 HD22 LEU 21 -18.564 36.433 5.629
167 HD23 LEU 21 HD23 LEU 21 -17.418 36.493 4.265
168 H PHE 22 H PHE 22 -13.222 35.030 7.600
169 HA PHE 22 HA PHE 22 -13.227 37.069 9.558
170 HB2 PHE 22 HB2 PHE 22 -12.270 34.671 9.764
171 HB3 PHE 22 HB3 PHE 22 -10.816 35.285 8.972
172 HD1 PHE 22 HD1 PHE 22 -13.212 35.843 11.829
173 HD2 PHE 22 HD2 PHE 22 -9.205 36.488 10.416
174 HE1 PHE 22 HE1 PHE 22 -12.568 36.687 14.056
175 HE2 PHE 22 HE2 PHE 22 -8.505 37.069 12.729
176 HZ PHE 22 HZ PHE 22 -10.196 37.215 14.537
177 H ILE 23 H ILE 23 -11.131 36.622 6.600
178 HA ILE 23 HA ILE 23 -9.377 38.801 7.274
179 HB ILE 23 HB ILE 23 -9.962 37.252 4.716
180 HG12 ILE 23 HG12 ILE 23 -7.433 37.105 4.668
181 HG13 ILE 23 HG13 ILE 23 -7.369 38.102 6.142
182 HG21 ILE 23 HG21 ILE 23 -8.622 39.988 4.618
183 HG22 ILE 23 HG22 ILE 23 -8.544 38.771 3.320
184 HG23 ILE 23 HG23 ILE 23 -10.108 39.479 3.760
185 HD11 ILE 23 HD11 ILE 23 -8.688 35.318 5.846
186 HD12 ILE 23 HD12 ILE 23 -7.149 35.669 6.675
187 HD13 ILE 23 HD13 ILE 23 -8.679 36.285 7.358
188 H GLU 24 H GLU 24 -12.403 38.689 5.231
189 HA GLU 24 HA GLU 24 -12.229 41.492 4.642
190 HB2 GLU 24 HB2 GLU 24 -14.701 39.675 4.821
191 HB3 GLU 24 HB3 GLU 24 -14.737 41.343 4.193
192 HG2 GLU 24 HG2 GLU 24 -13.140 38.992 2.988
193 HG3 GLU 24 HG3 GLU 24 -14.626 39.710 2.330
194 H TRP 25 H TRP 25 -13.584 39.664 7.454
195 HA TRP 25 HA TRP 25 -14.879 41.946 8.660
196 HB2 TRP 25 HB2 TRP 25 -15.392 39.632 9.331
197 HB3 TRP 25 HB3 TRP 25 -13.715 39.385 9.870
198 HD1 TRP 25 HD1 TRP 25 -16.752 41.577 10.873
199 HE1 TRP 25 HE1 TRP 25 -16.626 41.968 13.367
200 HE3 TRP 25 HE3 TRP 25 -12.179 39.343 11.867
201 HZ2 TRP 25 HZ2 TRP 25 -14.933 41.526 15.459
202 HZ3 TRP 25 HZ3 TRP 25 -11.378 39.417 14.231
203 HH2 TRP 25 HH2 TRP 25 -12.747 40.439 16.002
204 H LEU 26 H LEU 26 -11.490 40.571 9.010
205 HA LEU 26 HA LEU 26 -10.728 42.495 10.998
206 HB2 LEU 26 HB2 LEU 26 -9.032 41.140 8.833
207 HB3 LEU 26 HB3 LEU 26 -8.353 42.130 10.144
208 HG LEU 26 HG LEU 26 -9.943 39.534 10.636
209 HD11 LEU 26 HD11 LEU 26 -7.686 38.490 10.981
210 HD12 LEU 26 HD12 LEU 26 -7.886 39.066 9.314
211 HD13 LEU 26 HD13 LEU 26 -6.904 40.005 10.472
212 HD21 LEU 26 HD21 LEU 26 -8.168 41.231 12.485
213 HD22 LEU 26 HD22 LEU 26 -9.939 41.045 12.624
214 HD23 LEU 26 HD23 LEU 26 -8.882 39.648 12.904
215 H AIB 27 H ALA 27 -10.538 42.478 7.350
216 HB11 AIB 27 H21 ALA 27 -8.510 45.385 8.170
217 HB12 AIB 27 H22 ALA 27 -7.954 44.245 6.927
218 HB13 AIB 27 H23 ALA 27 -8.464 45.897 6.469
219 HB21 AIB 27 H31 ALA 27 -10.126 45.026 4.793
220 HB22 AIB 27 H32 ALA 27 -9.554 43.372 5.167
221 HB23 AIB 27 H33 ALA 27 -11.292 43.755 5.242
222 H ALA 28 H ALA 28 -12.658 44.187 7.368
223 HA ALA 28 HA ALA 28 -13.588 46.842 6.958
224 HB1 ALA 28 H21 ALA 28 -14.738 44.685 8.834
225 HB2 ALA 28 H22 ALA 28 -15.635 46.092 8.203
226 HB3 ALA 28 H23 ALA 28 -15.084 44.808 7.090
227 H GLY 29 H GLY 29 -12.017 45.323 9.811
228 HA2 GLY 29 HA2 GLY 29 -11.474 47.566 11.276
229 HA3 GLY 29 HA3 GLY 29 -13.179 47.250 11.683
230 H GLY 30 H GLY 30 -12.938 44.190 11.526
231 HA2 GLY 30 HA2 GLY 30 -12.287 42.507 13.011
232 HA3 GLY 30 HA3 GLY 30 -10.982 43.574 13.569
233 HA PRO 31 HA PRO 31 -14.233 43.562 16.963
234 HB2 PRO 31 HB2 PRO 31 -11.811 44.974 18.217
235 HB3 PRO 31 HB3 PRO 31 -12.947 43.847 19.009
236 HG2 PRO 31 HG2 PRO 31 -10.540 42.875 18.217
237 HG3 PRO 31 HG3 PRO 31 -12.006 41.964 17.760
238 HD2 PRO 31 HD2 PRO 31 -10.456 43.953 16.003
239 HD3 PRO 31 HD3 PRO 31 -10.995 42.277 15.583
240 H SER 32 H SER 32 -12.177 46.238 15.547
241 HA SER 32 HA SER 32 -13.612 48.387 16.731
242 HB2 SER 32 HB2 SER 32 -12.260 48.314 13.975
243 HB3 SER 32 HB3 SER 32 -12.668 49.776 14.902
244 HG SER 32 HG SER 32 -11.105 48.965 16.517
245 H SER 33 H SER 33 -14.298 46.352 13.771
246 HA SER 33 HA SER 33 -15.931 48.203 12.470
247 HB2 SER 33 HB2 SER 33 -17.040 46.229 11.378
248 HB3 SER 33 HB3 SER 33 -15.267 46.041 11.406
249 HG SER 33 HG SER 33 -16.351 44.106 12.204
250 H GLY 34 H GLY 34 -16.773 45.973 15.221
251 HA2 GLY 34 HA2 GLY 34 -18.608 46.479 16.675
252 HA3 GLY 34 HA3 GLY 34 -19.450 47.321 15.374
253 H ALA 35 H ALA 35 -18.580 44.871 13.441
254 HA ALA 35 HA ALA 35 -21.075 43.483 13.905
255 HB1 ALA 35 HB1 ALA 35 -18.787 42.810 11.977
256 HB2 ALA 35 HB2 ALA 35 -20.395 42.037 12.005
257 HB3 ALA 35 HB3 ALA 35 -20.243 43.771 11.605
258 HA PRO 36 HA PRO 36 -18.940 40.540 16.786
259 HB2 PRO 36 HB2 PRO 36 -21.214 38.831 15.573
260 HB3 PRO 36 HB3 PRO 36 -20.617 38.769 17.259
261 HG2 PRO 36 HG2 PRO 36 -22.846 40.232 16.778
262 HG3 PRO 36 HG3 PRO 36 -21.510 41.030 17.668
263 HD2 PRO 36 HD2 PRO 36 -22.171 41.333 14.674
264 HD3 PRO 36 HD3 PRO 36 -21.821 42.596 15.913
265 HA PRO 37 HA PRO 37 -16.510 38.897 13.502
266 HB2 PRO 37 HB2 PRO 37 -15.098 36.753 14.646
267 HB3 PRO 37 HB3 PRO 37 -14.800 38.458 15.067
268 HG2 PRO 37 HG2 PRO 37 -16.633 36.505 16.532
269 HG3 PRO 37 HG3 PRO 37 -15.304 37.472 17.238
270 HD2 PRO 37 HD2 PRO 37 -17.914 38.378 17.377
271 HD3 PRO 37 HD3 PRO 37 -16.621 39.557 16.909
272 HA PRO 38 HA PRO 38 -18.847 35.325 11.904
273 HB2 PRO 38 HB2 PRO 38 -17.447 34.736 9.617
274 HB3 PRO 38 HB3 PRO 38 -18.169 36.349 9.860
275 HG2 PRO 38 HG2 PRO 38 -15.272 35.576 10.446
276 HG3 PRO 38 HG3 PRO 38 -15.819 36.899 9.384
277 HD2 PRO 38 HD2 PRO 38 -15.175 37.349 12.052
278 HD3 PRO 38 HD3 PRO 38 -16.511 38.236 11.232
279 H SER 39 H SER 39 -18.105 34.333 14.093
280 HA SER 39 HA SER 39 -16.264 32.021 13.630
281 HB2 SER 39 HB2 SER 39 -15.834 34.243 15.731
282 HB3 SER 39 HB3 SER 39 -15.026 32.664 15.726
283 HG SER 39 HG SER 39 -14.779 34.548 13.585
284 HN1 NH2 40 H11 SER 39 -19.250 30.775 15.185
285 HN2 NH2 40 H12 SER 39 -18.654 31.216 13.631
286 H93 EVT 101 H93 XXX 40 -19.130 17.553 13.928
287 H92 EVT 101 H92 XXX 40 -17.557 18.336 13.736
288 H103 EVT 101 H103 XXX 40 -18.683 20.596 14.154
289 H102 EVT 101 H102 XXX 40 -20.216 19.732 14.448
290 H11 EVT 101 H11 XXX 40 -18.992 18.370 16.244
291 H122 EVT 101 H122 XXX 40 -19.630 21.916 19.128
292 H123 EVT 101 H123 XXX 40 -21.207 21.192 18.724
293 H133 EVT 101 H133 XXX 40 -20.807 19.478 20.594
294 H132 EVT 101 H132 XXX 40 -21.068 21.144 21.141
295 H143 EVT 101 H143 XXX 40 -18.676 21.523 21.483
296 H142 EVT 101 H142 XXX 40 -18.271 19.928 20.803
297 H153 EVT 101 H153 XXX 40 -19.512 18.808 22.657
298 H152 EVT 101 H152 XXX 40 -19.926 20.385 23.373
299 H6 EVT 101 H6 XXX 40 -20.947 18.362 12.412
300 H163 EVT 101 H163 XXX 40 -17.539 20.877 23.800
301 H162 EVT 101 H162 XXX 40 -17.042 19.411 22.916
302 H173 EVT 101 H173 XXX 40 -18.271 18.010 24.607
303 H172 EVT 101 H172 XXX 40 -18.626 19.478 25.556
304 H183 EVT 101 H183 XXX 40 -16.111 19.907 25.707
305 H182 EVT 101 H182 XXX 40 -15.828 18.359 24.887
306 H193 EVT 101 H193 XXX 40 -17.196 18.738 27.617
307 H192 EVT 101 H192 XXX 40 -15.547 18.140 27.331
308 H203 EVT 101 H203 XXX 40 -16.575 16.183 26.015
309 H202 EVT 101 H202 XXX 40 -18.176 16.727 26.564
310 H213 EVT 101 H213 XXX 40 -17.421 16.499 28.977
311 H212 EVT 101 H212 XXX 40 -15.859 15.867 28.387
312 H223 EVT 101 H223 XXX 40 -17.114 13.978 27.232
313 H222 EVT 101 H222 XXX 40 -18.635 14.618 27.921
314 H25 EVT 101 H25 XXX 40 -19.573 21.254 16.598
315 H293 EVT 101 H293 XXX 40 -17.621 14.264 30.253
316 H292 EVT 101 H292 XXX 40 -16.168 13.620 29.463
317 H303 EVT 101 H303 XXX 40 -17.400 11.678 30.148
318 H302 EVT 101 H302 XXX 40 -17.659 11.790 28.401
319 H313 EVT 101 H313 XXX 40 -19.941 12.884 28.895
320 H312 EVT 101 H312 XXX 40 -19.601 12.696 30.637
321 H321 EVT 101 H321 XXX 40 -19.846 10.433 28.567
322 H323 EVT 101 H323 XXX 40 -21.064 10.850 29.808
323 H322 EVT 101 H322 XXX 40 -19.477 10.189 30.296
324 H353 EVT 101 H353 XXX 40 -20.705 18.797 7.517
325 H352 EVT 101 H352 XXX 40 -21.360 20.293 8.203
326 H363 EVT 101 H363 XXX 40 -19.417 20.382 9.813
327 H362 EVT 101 H362 XXX 40 -18.824 18.824 9.121
328 H37 EVT 101 H37 XXX 40 -21.598 19.264 10.349
Start of MODEL 6
1 H1 HIS 1 H1 HIS 1 -13.555 8.150 7.116
2 H2 HIS 1 H2 HIS 1 -13.210 6.545 7.728
3 H3 HIS 1 H3 HIS 1 -12.204 7.233 6.519
4 HA HIS 1 HA HIS 1 -13.782 5.568 5.554
5 HB2 HIS 1 HB2 HIS 1 -15.928 7.648 6.291
6 HB3 HIS 1 HB3 HIS 1 -16.203 6.145 5.391
7 HD1 HIS 1 HD1 HIS 1 -16.146 3.963 6.820
8 HD2 HIS 1 HD2 HIS 1 -15.601 7.513 8.993
9 HE1 HIS 1 HE1 HIS 1 -16.443 3.327 9.243
10 H AIB 2 H AIB 2 -14.766 5.983 3.286
11 HB11 AIB 2 H31 AIB 2 -16.203 6.934 1.296
12 HB12 AIB 2 H32 AIB 2 -15.146 7.691 0.081
13 HB13 AIB 2 H33 AIB 2 -14.775 6.055 0.690
14 HB21 AIB 2 H21 AIB 2 -12.441 6.723 1.441
15 HB22 AIB 2 H22 AIB 2 -12.745 8.297 0.659
16 HB23 AIB 2 H23 AIB 2 -12.179 8.231 2.347
17 H GLN 3 H GLN 3 -16.501 8.297 3.381
18 HA GLN 3 HA GLN 3 -16.858 10.935 2.457
19 HB2 GLN 3 H42 GLN 3 -18.658 9.735 3.640
20 HB3 GLN 3 H43 GLN 3 -17.694 9.695 5.141
21 HG2 GLN 3 H32 GLN 3 -17.835 12.186 5.330
22 HG3 GLN 3 H33 GLN 3 -18.573 12.291 3.722
23 HE21 GLN 3 H61 GLN 3 -20.858 10.739 6.846
24 HE22 GLN 3 H62 GLN 3 -19.164 10.456 6.880
25 H GLY 4 H GLY 4 -15.187 9.761 5.530
26 HA2 GLY 4 HA2 GLY 4 -14.331 12.000 6.737
27 HA3 GLY 4 HA3 GLY 4 -13.205 10.676 6.403
28 H THR 5 H THR 5 -12.735 10.655 3.762
29 HA THR 5 HA THR 5 -10.868 12.780 3.510
30 HB THR 5 HB THR 5 -12.009 10.971 1.304
31 HG1 THR 5 HG1 THR 5 -9.824 10.559 3.114
32 HG21 THR 5 HG21 THR 5 -9.825 11.324 0.197
33 HG22 THR 5 HG22 THR 5 -10.688 12.875 0.375
34 HG23 THR 5 HG23 THR 5 -9.330 12.475 1.466
35 H PHE 6 H PHE 6 -14.132 12.327 1.849
36 HA PHE 6 HA PHE 6 -13.772 14.868 0.480
37 HB2 PHE 6 HB2 PHE 6 -16.135 12.949 0.700
38 HB3 PHE 6 HB3 PHE 6 -16.369 14.631 0.180
39 HD1 PHE 6 HD1 PHE 6 -17.056 14.118 -2.086
40 HD2 PHE 6 HD2 PHE 6 -13.287 12.617 -0.641
41 HE1 PHE 6 HE1 PHE 6 -16.256 13.877 -4.405
42 HE2 PHE 6 HE2 PHE 6 -12.505 12.361 -2.961
43 HZ PHE 6 HZ PHE 6 -13.964 13.039 -4.855
44 H THR 7 H THR 7 -15.934 13.974 3.358
45 HA THR 7 HA THR 7 -16.810 16.594 3.624
46 HB THR 7 HB THR 7 -17.732 14.656 4.961
47 HG1 THR 7 HG1 THR 7 -18.284 16.865 5.543
48 HG21 THR 7 HG21 THR 7 -15.372 15.266 6.861
49 HG22 THR 7 HG22 THR 7 -16.735 14.161 7.174
50 HG23 THR 7 HG23 THR 7 -15.563 13.787 5.880
51 H SER 8 H SER 8 -13.628 15.203 4.730
52 HA SER 8 HA SER 8 -12.975 17.477 6.328
53 HB2 SER 8 HB2 SER 8 -10.660 16.883 6.200
54 HB3 SER 8 HB3 SER 8 -11.599 15.386 6.378
55 HG SER 8 HG SER 8 -11.270 15.148 4.026
56 H ASP 9 H ASP 9 -12.653 16.792 2.745
57 HA ASP 9 HA ASP 9 -11.429 19.336 2.200
58 HB2 ASP 9 HB2 ASP 9 -11.291 17.609 0.505
59 HB3 ASP 9 HB3 ASP 9 -13.057 17.494 0.399
60 H LEU 10 H LEU 10 -14.961 18.289 2.519
61 HA LEU 10 HA LEU 10 -15.973 20.794 1.644
62 HB2 LEU 10 HB2 LEU 10 -17.136 19.006 3.849
63 HB3 LEU 10 HB3 LEU 10 -17.938 20.434 3.191
64 HG LEU 10 HG LEU 10 -17.258 17.942 1.536
65 HD11 LEU 10 HD11 LEU 10 -19.073 17.533 3.260
66 HD12 LEU 10 HD12 LEU 10 -19.991 18.910 2.593
67 HD13 LEU 10 HD13 LEU 10 -19.694 17.464 1.598
68 HD21 LEU 10 HD21 LEU 10 -18.869 19.003 -0.139
69 HD22 LEU 10 HD22 LEU 10 -18.894 20.469 0.862
70 HD23 LEU 10 HD23 LEU 10 -17.390 19.955 0.056
71 H SER 11 H SER 11 -14.677 19.776 4.934
72 HA SER 11 HA SER 11 -15.291 22.385 6.012
73 HB2 SER 11 HB2 SER 11 -13.675 21.808 7.845
74 HB3 SER 11 HB3 SER 11 -15.014 20.661 7.623
75 HG SER 11 HG SER 11 -12.378 20.176 6.646
76 H LYS 12 H LYS 12 -12.360 21.024 4.256
77 HA LYS 12 HA LYS 12 -10.719 23.286 4.810
78 HB2 LYS 12 HB2 LYS 12 -10.125 21.063 3.589
79 HB3 LYS 12 HB3 LYS 12 -10.787 21.792 2.107
80 HG2 LYS 12 HG2 LYS 12 -8.493 22.949 3.821
81 HG3 LYS 12 HG3 LYS 12 -8.287 21.877 2.411
82 HD2 LYS 12 HD2 LYS 12 -9.321 23.550 0.905
83 HD3 LYS 12 HD3 LYS 12 -9.499 24.683 2.255
84 HE2 LYS 12 HE2 LYS 12 -7.015 24.646 2.621
85 HE3 LYS 12 HE3 LYS 12 -6.837 23.557 1.221
86 HZ1 LYS 12 HZ1 LYS 12 -7.787 25.322 -0.235
87 HZ2 LYS 12 HZ2 LYS 12 -7.971 26.374 1.131
88 HZ3 LYS 12 HZ3 LYS 12 -6.379 25.898 0.618
89 H GLN 13 H GLN 13 -13.256 22.669 2.273
90 HA GLN 13 HA GLN 13 -12.970 25.240 1.044
91 HB2 GLN 13 HB2 GLN 13 -15.345 23.302 1.144
92 HB3 GLN 13 HB3 GLN 13 -15.363 24.822 0.229
93 HG2 GLN 13 HG2 GLN 13 -13.448 24.091 -1.156
94 HG3 GLN 13 HG3 GLN 13 -13.270 22.600 -0.216
95 HE21 GLN 13 HE21 GLN 13 -16.005 20.932 -1.836
96 HE22 GLN 13 HE22 GLN 13 -14.892 20.858 -0.527
97 H LYS 14 H LYS 14 -15.165 24.124 3.802
98 HA LYS 14 HA LYS 14 -16.332 26.751 4.004
99 HB2 LYS 14 HB2 LYS 14 -16.049 24.647 6.185
100 HB3 LYS 14 HB3 LYS 14 -16.912 26.191 6.395
101 HG2 LYS 14 HG2 LYS 14 -18.595 25.530 4.715
102 HG3 LYS 14 HG3 LYS 14 -17.627 24.098 4.277
103 HD2 LYS 14 HD2 LYS 14 -17.881 23.221 6.623
104 HD3 LYS 14 HD3 LYS 14 -18.949 24.580 7.027
105 HE2 LYS 14 HE2 LYS 14 -20.611 23.818 5.359
106 HE3 LYS 14 HE3 LYS 14 -19.474 22.586 4.747
107 HZ1 LYS 14 HZ1 LYS 14 -19.724 21.819 7.332
108 H ASP 15 H ASP 15 -13.847 25.196 6.251
109 HA ASP 15 HA ASP 15 -12.988 27.305 7.632
110 HB2 ASP 15 H32 ASP 15 -11.214 25.250 6.207
111 HB3 ASP 15 H33 ASP 15 -10.653 26.298 7.525
112 H GLU 16 H GLU 16 -12.064 26.714 4.133
113 HA GLU 16 HA GLU 16 -10.203 28.898 4.082
114 HB2 GLU 16 HB2 GLU 16 -10.198 27.121 2.342
115 HB3 GLU 16 HB3 GLU 16 -11.785 27.661 1.743
116 HG2 GLU 16 HG2 GLU 16 -10.736 29.939 1.213
117 HG3 GLU 16 HG3 GLU 16 -9.172 29.296 1.763
118 H GLN 17 H GLN 17 -13.697 28.625 2.979
119 HA GLN 17 HA GLN 17 -13.934 31.381 2.341
120 HB2 GLN 17 H42 GLN 17 -15.629 29.823 1.594
121 HB3 GLN 17 H43 GLN 17 -16.019 29.352 3.266
122 HG2 GLN 17 H32 GLN 17 -17.782 30.781 2.475
123 HG3 GLN 17 H33 GLN 17 -16.899 31.700 3.701
124 HE21 GLN 17 H61 GLN 17 -15.562 34.082 1.274
125 HE22 GLN 17 H62 GLN 17 -15.196 33.371 2.795
126 H ARG 18 H ARG 18 -14.735 29.608 5.440
127 HA ARG 18 HA ARG 18 -15.616 31.814 6.879
128 HB2 ARG 18 H42 ARG 18 -13.944 29.459 7.933
129 HB3 ARG 18 H43 ARG 18 -14.786 30.638 8.953
130 HG2 ARG 18 H33 ARG 18 -16.981 29.969 7.822
131 HG3 ARG 18 H32 ARG 18 -16.109 28.633 7.021
132 HD2 ARG 18 H52 ARG 18 -15.507 27.665 9.215
133 HD3 ARG 18 H53 ARG 18 -16.383 29.012 10.028
134 HE ARG 18 H10 ARG 18 -18.149 27.741 8.155
135 HH11 ARG 18 H71 ARG 18 -19.739 26.344 8.916
136 HH12 ARG 18 H72 ARG 18 -19.608 25.619 10.474
137 HH21 ARG 18 H81 ARG 18 -16.546 27.092 11.272
138 HH22 ARG 18 H82 ARG 18 -17.834 26.029 11.813
139 H ALA 19 H ALA 19 -12.157 30.693 6.429
140 HA ALA 19 HA ALA 19 -11.086 32.775 8.081
141 HB1 ALA 19 H21 ALA 19 -9.807 31.338 5.688
142 HB2 ALA 19 H22 ALA 19 -8.937 32.401 6.834
143 HB3 ALA 19 H23 ALA 19 -9.673 30.877 7.407
144 H LYS 20 H LYS 20 -11.763 32.626 4.477
145 HA LYS 20 HA LYS 20 -10.726 35.226 3.977
146 HB2 LYS 20 H42 LYS 20 -12.915 33.692 2.511
147 HB3 LYS 20 H43 LYS 20 -12.243 35.242 1.957
148 HG2 LYS 20 H23 LYS 20 -10.045 34.276 1.577
149 HG3 LYS 20 H22 LYS 20 -10.443 32.796 2.467
150 HD2 LYS 20 H33 LYS 20 -10.447 32.369 0.036
151 HD3 LYS 20 H32 LYS 20 -12.053 32.078 0.743
152 HE2 LYS 20 H53 LYS 20 -12.889 34.231 -0.129
153 HE3 LYS 20 H52 LYS 20 -11.246 34.682 -0.675
154 HZ1 LYS 20 H71 LYS 20 -12.863 32.338 -1.693
155 HZ2 LYS 20 H72 LYS 20 -12.693 33.887 -2.500
156 HZ3 LYS 20 H73 LYS 20 -11.290 32.854 -2.283
157 H LEU 21 H LEU 21 -14.008 34.152 5.192
158 HA LEU 21 HA LEU 21 -15.182 36.773 4.978
159 HB2 LEU 21 HB2 LEU 21 -15.761 34.627 7.118
160 HB3 LEU 21 HB3 LEU 21 -16.762 36.050 6.789
161 HG LEU 21 HG LEU 21 -16.348 33.731 4.849
162 HD11 LEU 21 HD11 LEU 21 -18.633 33.045 5.436
163 HD12 LEU 21 HD12 LEU 21 -17.648 33.105 6.917
164 HD13 LEU 21 HD13 LEU 21 -18.784 34.430 6.560
165 HD21 LEU 21 HD21 LEU 21 -18.289 34.756 3.602
166 HD22 LEU 21 HD22 LEU 21 -18.262 36.154 4.704
167 HD23 LEU 21 HD23 LEU 21 -16.885 35.844 3.610
168 H PHE 22 H PHE 22 -13.255 35.040 7.538
169 HA PHE 22 HA PHE 22 -13.475 37.099 9.475
170 HB2 PHE 22 HB2 PHE 22 -12.645 34.788 9.917
171 HB3 PHE 22 HB3 PHE 22 -11.134 35.173 9.068
172 HD1 PHE 22 HD1 PHE 22 -13.329 36.156 11.952
173 HD2 PHE 22 HD2 PHE 22 -9.408 36.527 10.239
174 HE1 PHE 22 HE1 PHE 22 -12.436 36.806 14.157
175 HE2 PHE 22 HE2 PHE 22 -8.491 37.061 12.481
176 HZ PHE 22 HZ PHE 22 -10.002 37.244 14.430
177 H ILE 23 H ILE 23 -11.158 36.637 6.662
178 HA ILE 23 HA ILE 23 -9.557 38.927 7.427
179 HB ILE 23 HB ILE 23 -9.780 37.266 4.903
180 HG12 ILE 23 HG12 ILE 23 -7.284 37.173 5.177
181 HG13 ILE 23 HG13 ILE 23 -7.389 38.297 6.547
182 HG21 ILE 23 HG21 ILE 23 -8.488 40.040 4.920
183 HG22 ILE 23 HG22 ILE 23 -8.283 38.813 3.644
184 HG23 ILE 23 HG23 ILE 23 -9.882 39.527 3.931
185 HD11 ILE 23 HD11 ILE 23 -8.582 35.455 6.428
186 HD12 ILE 23 HD12 ILE 23 -7.137 35.962 7.340
187 HD13 ILE 23 HD13 ILE 23 -8.736 36.560 7.829
188 H GLU 24 H GLU 24 -12.507 38.605 5.250
189 HA GLU 24 HA GLU 24 -12.492 41.349 4.512
190 HB2 GLU 24 HB2 GLU 24 -14.945 39.584 5.109
191 HB3 GLU 24 HB3 GLU 24 -15.002 41.209 4.387
192 HG2 GLU 24 HG2 GLU 24 -13.663 40.388 2.422
193 HG3 GLU 24 HG3 GLU 24 -13.675 38.745 3.103
194 H TRP 25 H TRP 25 -13.736 39.645 7.469
195 HA TRP 25 HA TRP 25 -14.913 41.974 8.651
196 HB2 TRP 25 HB2 TRP 25 -15.457 39.701 9.335
197 HB3 TRP 25 HB3 TRP 25 -13.792 39.419 9.892
198 HD1 TRP 25 HD1 TRP 25 -16.780 41.679 10.904
199 HE1 TRP 25 HE1 TRP 25 -16.600 42.075 13.387
200 HE3 TRP 25 HE3 TRP 25 -12.218 39.375 11.817
201 HZ2 TRP 25 HZ2 TRP 25 -14.931 41.492 15.480
202 HZ3 TRP 25 HZ3 TRP 25 -11.390 39.395 14.167
203 HH2 TRP 25 HH2 TRP 25 -12.796 40.291 15.995
204 H LEU 26 H LEU 26 -11.518 40.571 8.936
205 HA LEU 26 HA LEU 26 -10.710 42.512 10.877
206 HB2 LEU 26 HB2 LEU 26 -9.046 41.139 8.700
207 HB3 LEU 26 HB3 LEU 26 -8.349 42.149 9.990
208 HG LEU 26 HG LEU 26 -9.857 39.493 10.446
209 HD11 LEU 26 HD11 LEU 26 -6.853 40.162 10.485
210 HD12 LEU 26 HD12 LEU 26 -7.570 38.589 10.918
211 HD13 LEU 26 HD13 LEU 26 -7.691 39.180 9.247
212 HD21 LEU 26 HD21 LEU 26 -8.296 41.263 12.426
213 HD22 LEU 26 HD22 LEU 26 -10.055 40.964 12.463
214 HD23 LEU 26 HD23 LEU 26 -8.929 39.632 12.762
215 H AIB 27 H ALA 27 -10.682 42.504 7.244
216 HB11 AIB 27 H21 ALA 27 -8.175 44.427 6.703
217 HB12 AIB 27 H22 ALA 27 -8.812 46.014 6.190
218 HB13 AIB 27 H23 ALA 27 -8.753 45.598 7.912
219 HB21 AIB 27 H31 ALA 27 -10.478 45.021 4.646
220 HB22 AIB 27 H32 ALA 27 -9.859 43.388 5.016
221 HB23 AIB 27 H33 ALA 27 -11.593 43.743 5.178
222 H ALA 28 H ALA 28 -12.836 44.102 7.479
223 HA ALA 28 HA ALA 28 -13.862 46.755 7.132
224 HB1 ALA 28 H21 ALA 28 -14.956 44.502 8.922
225 HB2 ALA 28 H22 ALA 28 -15.876 45.900 8.314
226 HB3 ALA 28 H23 ALA 28 -15.288 44.662 7.174
227 H GLY 29 H GLY 29 -11.886 45.391 9.755
228 HA2 GLY 29 HA2 GLY 29 -11.372 47.505 11.223
229 HA3 GLY 29 HA3 GLY 29 -13.048 47.251 11.748
230 H GLY 30 H GLY 30 -12.814 44.152 11.508
231 HA2 GLY 30 HA2 GLY 30 -12.155 42.457 12.983
232 HA3 GLY 30 HA3 GLY 30 -10.869 43.526 13.582
233 HA PRO 31 HA PRO 31 -14.213 43.456 16.908
234 HB2 PRO 31 HB2 PRO 31 -11.769 44.805 18.212
235 HB3 PRO 31 HB3 PRO 31 -12.973 43.739 18.984
236 HG2 PRO 31 HG2 PRO 31 -10.610 42.630 18.232
237 HG3 PRO 31 HG3 PRO 31 -12.118 41.823 17.721
238 HD2 PRO 31 HD2 PRO 31 -10.405 43.769 16.045
239 HD3 PRO 31 HD3 PRO 31 -10.983 42.122 15.584
240 H SER 32 H SER 32 -12.059 46.132 15.613
241 HA SER 32 HA SER 32 -13.515 48.276 16.734
242 HB2 SER 32 HB2 SER 32 -12.145 48.166 13.984
243 HB3 SER 32 HB3 SER 32 -12.593 49.641 14.883
244 HG SER 32 HG SER 32 -10.328 48.997 15.259
245 H SER 33 H SER 33 -14.106 46.267 13.743
246 HA SER 33 HA SER 33 -15.891 47.937 12.460
247 HB2 SER 33 HB2 SER 33 -16.946 45.990 11.433
248 HB3 SER 33 HB3 SER 33 -15.189 45.724 11.486
249 HG SER 33 HG SER 33 -15.643 44.360 13.396
250 H GLY 34 H GLY 34 -16.549 45.880 15.378
251 HA2 GLY 34 HA2 GLY 34 -18.313 46.473 16.885
252 HA3 GLY 34 HA3 GLY 34 -19.229 47.229 15.576
253 H ALA 35 H ALA 35 -19.012 45.205 13.509
254 HA ALA 35 HA ALA 35 -21.090 43.473 14.262
255 HB1 ALA 35 HB1 ALA 35 -18.954 43.089 12.077
256 HB2 ALA 35 HB2 ALA 35 -20.461 42.144 12.217
257 HB3 ALA 35 HB3 ALA 35 -20.533 43.896 11.893
258 HA PRO 36 HA PRO 36 -18.360 40.618 16.740
259 HB2 PRO 36 HB2 PRO 36 -20.694 38.793 15.908
260 HB3 PRO 36 HB3 PRO 36 -19.848 38.811 17.489
261 HG2 PRO 36 HG2 PRO 36 -22.252 40.062 17.303
262 HG3 PRO 36 HG3 PRO 36 -20.887 40.935 18.057
263 HD2 PRO 36 HD2 PRO 36 -21.937 41.272 15.191
264 HD3 PRO 36 HD3 PRO 36 -21.479 42.534 16.391
265 HA PRO 37 HA PRO 37 -16.483 38.873 13.150
266 HB2 PRO 37 HB2 PRO 37 -15.154 36.550 14.021
267 HB3 PRO 37 HB3 PRO 37 -14.669 38.203 14.484
268 HG2 PRO 37 HG2 PRO 37 -16.542 36.361 16.047
269 HG3 PRO 37 HG3 PRO 37 -15.034 37.110 16.650
270 HD2 PRO 37 HD2 PRO 37 -17.420 38.334 17.148
271 HD3 PRO 37 HD3 PRO 37 -16.078 39.367 16.521
272 HA PRO 38 HA PRO 38 -19.472 35.895 11.596
273 HB2 PRO 38 HB2 PRO 38 -18.450 35.314 9.112
274 HB3 PRO 38 HB3 PRO 38 -18.772 37.003 9.592
275 HG2 PRO 38 HG2 PRO 38 -16.065 35.586 9.787
276 HG3 PRO 38 HG3 PRO 38 -16.415 37.102 8.911
277 HD2 PRO 38 HD2 PRO 38 -15.472 37.161 11.503
278 HD3 PRO 38 HD3 PRO 38 -16.717 38.331 10.928
279 H SER 39 H SER 39 -18.656 34.440 13.587
280 HA SER 39 HA SER 39 -16.824 32.299 12.788
281 HB2 SER 39 HB2 SER 39 -18.478 32.363 15.363
282 HB3 SER 39 HB3 SER 39 -17.141 31.278 14.947
283 HG SER 39 HG SER 39 -16.836 34.109 15.183
284 HN1 NH2 40 H11 SER 39 -20.762 30.981 12.739
285 HN2 NH2 40 H12 SER 39 -20.400 32.428 13.605
286 H93 EVT 101 H93 XXX 40 -24.934 19.019 12.645
287 H92 EVT 101 H92 XXX 40 -25.465 20.686 12.287
288 H103 EVT 101 H103 XXX 40 -27.596 19.805 11.327
289 H102 EVT 101 H102 XXX 40 -27.012 18.135 11.526
290 H11 EVT 101 H11 XXX 40 -27.049 18.395 14.015
291 H122 EVT 101 H122 XXX 40 -31.338 17.869 12.497
292 H123 EVT 101 H123 XXX 40 -30.811 16.230 12.062
293 H133 EVT 101 H133 XXX 40 -30.830 15.533 14.432
294 H132 EVT 101 H132 XXX 40 -32.408 16.223 13.996
295 H143 EVT 101 H143 XXX 40 -31.577 18.468 15.003
296 H142 EVT 101 H142 XXX 40 -30.151 17.592 15.603
297 H153 EVT 101 H153 XXX 40 -31.728 16.008 16.836
298 H152 EVT 101 H152 XXX 40 -33.090 17.015 16.285
299 H6 EVT 101 H6 XXX 40 -22.980 19.397 11.285
300 H163 EVT 101 H163 XXX 40 -31.920 19.010 17.473
301 H162 EVT 101 H162 XXX 40 -30.785 17.826 18.172
302 H173 EVT 101 H173 XXX 40 -32.755 16.587 19.172
303 H172 EVT 101 H172 XXX 40 -33.854 17.815 18.490
304 H183 EVT 101 H183 XXX 40 -32.696 19.598 19.809
305 H182 EVT 101 H182 XXX 40 -31.679 18.366 20.595
306 H193 EVT 101 H193 XXX 40 -34.761 18.451 20.706
307 H192 EVT 101 H192 XXX 40 -33.709 19.168 21.951
308 H203 EVT 101 H203 XXX 40 -32.797 16.981 22.577
309 H202 EVT 101 H202 XXX 40 -33.683 16.175 21.267
310 H213 EVT 101 H213 XXX 40 -35.865 16.794 22.274
311 H212 EVT 101 H212 XXX 40 -35.035 17.663 23.590
312 H223 EVT 101 H223 XXX 40 -34.013 15.556 24.398
313 H222 EVT 101 H222 XXX 40 -34.700 14.664 23.011
314 H25 EVT 101 H25 XXX 40 -29.707 19.389 13.325
315 H293 EVT 101 H293 XXX 40 -36.997 15.022 23.820
316 H292 EVT 101 H292 XXX 40 -36.432 16.154 25.069
317 H303 EVT 101 H303 XXX 40 -36.990 14.023 26.127
318 H302 EVT 101 H302 XXX 40 -35.243 14.315 26.266
319 H313 EVT 101 H313 XXX 40 -34.824 12.726 24.366
320 H312 EVT 101 H312 XXX 40 -36.582 12.477 24.173
321 H321 EVT 101 H321 XXX 40 -34.919 11.745 26.663
322 H323 EVT 101 H323 XXX 40 -35.555 10.599 25.452
323 H322 EVT 101 H322 XXX 40 -36.686 11.499 26.497
324 H353 EVT 101 H353 XXX 40 -20.936 19.683 7.324
325 H352 EVT 101 H352 XXX 40 -22.489 19.585 6.476
326 H363 EVT 101 H363 XXX 40 -23.542 21.015 8.248
327 H362 EVT 101 H362 XXX 40 -21.973 21.130 9.079
328 H37 EVT 101 H37 XXX 40 -23.597 18.559 8.537
Start of MODEL 7
1 H1 HIS 1 H1 HIS 1 -13.119 6.663 3.514
2 H2 HIS 1 H2 HIS 1 -13.743 5.031 3.371
3 H3 HIS 1 H3 HIS 1 -12.249 5.440 2.643
4 HA HIS 1 HA HIS 1 -14.089 5.294 0.988
5 HB2 HIS 1 HB2 HIS 1 -15.145 7.769 2.498
6 HB3 HIS 1 HB3 HIS 1 -15.702 7.247 0.894
7 HD1 HIS 1 HD1 HIS 1 -15.683 6.066 4.465
8 HD2 HIS 1 HD2 HIS 1 -17.463 5.245 0.755
9 HE1 HIS 1 HE1 HIS 1 -17.509 4.391 4.952
10 H AIB 2 H AIB 2 -13.351 6.244 -1.013
11 HB11 AIB 2 H31 AIB 2 -13.499 7.743 -3.139
12 HB12 AIB 2 H32 AIB 2 -11.912 8.465 -3.487
13 HB13 AIB 2 H33 AIB 2 -12.036 6.725 -3.113
14 HB21 AIB 2 H21 AIB 2 -10.321 6.990 -1.256
15 HB22 AIB 2 H22 AIB 2 -10.167 8.719 -1.666
16 HB23 AIB 2 H23 AIB 2 -10.506 8.237 0.007
17 H GLN 3 H GLN 3 -14.765 8.612 -0.951
18 HA GLN 3 HA GLN 3 -14.826 11.311 -1.477
19 HB2 GLN 3 H42 GLN 3 -16.839 9.974 -0.997
20 HB3 GLN 3 H43 GLN 3 -16.398 9.861 0.730
21 HG2 GLN 3 H32 GLN 3 -16.718 12.271 1.053
22 HG3 GLN 3 H33 GLN 3 -16.842 12.565 -0.691
23 HE21 GLN 3 H61 GLN 3 -20.228 11.255 -0.993
24 HE22 GLN 3 H62 GLN 3 -18.746 11.263 -1.865
25 H GLY 4 H GLY 4 -13.579 9.716 1.560
26 HA2 GLY 4 HA2 GLY 4 -13.198 11.674 3.336
27 HA3 GLY 4 HA3 GLY 4 -11.833 10.674 2.806
28 H THR 5 H THR 5 -11.255 11.396 0.262
29 HA THR 5 HA THR 5 -9.719 13.737 0.726
30 HB THR 5 HB THR 5 -10.442 12.643 -2.032
31 HG1 THR 5 HG1 THR 5 -8.822 10.965 -1.514
32 HG21 THR 5 HG21 THR 5 -8.026 13.131 -2.532
33 HG22 THR 5 HG22 THR 5 -8.828 14.610 -1.943
34 HG23 THR 5 HG23 THR 5 -7.770 13.666 -0.856
35 H PHE 6 H PHE 6 -12.822 13.204 -1.152
36 HA PHE 6 HA PHE 6 -12.949 15.971 -2.002
37 HB2 PHE 6 HB2 PHE 6 -14.969 13.698 -2.092
38 HB3 PHE 6 HB3 PHE 6 -15.506 15.378 -2.218
39 HD1 PHE 6 HD1 PHE 6 -16.134 15.558 -4.516
40 HD2 PHE 6 HD2 PHE 6 -12.298 13.851 -3.567
41 HE1 PHE 6 HE1 PHE 6 -15.458 15.749 -6.878
42 HE2 PHE 6 HE2 PHE 6 -11.590 14.186 -5.907
43 HZ PHE 6 HZ PHE 6 -13.140 15.176 -7.555
44 H THR 7 H THR 7 -14.844 14.250 0.687
45 HA THR 7 HA THR 7 -15.960 16.694 1.465
46 HB THR 7 HB THR 7 -16.775 14.518 2.368
47 HG1 THR 7 HG1 THR 7 -17.334 16.566 3.460
48 HG21 THR 7 HG21 THR 7 -14.388 14.731 4.305
49 HG22 THR 7 HG22 THR 7 -15.726 13.557 4.383
50 HG23 THR 7 HG23 THR 7 -14.583 13.519 3.009
51 H SER 8 H SER 8 -12.680 15.385 2.282
52 HA SER 8 HA SER 8 -12.197 17.383 4.288
53 HB2 SER 8 HB2 SER 8 -9.800 16.933 3.995
54 HB3 SER 8 HB3 SER 8 -10.743 15.426 4.065
55 HG SER 8 HG SER 8 -9.746 16.589 1.654
56 H ASP 9 H ASP 9 -11.902 17.299 0.658
57 HA ASP 9 HA ASP 9 -10.748 19.911 0.487
58 HB2 ASP 9 HB2 ASP 9 -10.763 18.141 -1.359
59 HB3 ASP 9 HB3 ASP 9 -12.479 18.506 -1.630
60 H LEU 10 H LEU 10 -14.206 18.708 0.630
61 HA LEU 10 HA LEU 10 -15.360 21.259 0.067
62 HB2 LEU 10 HB2 LEU 10 -16.410 19.023 1.897
63 HB3 LEU 10 HB3 LEU 10 -17.358 20.442 1.460
64 HG LEU 10 HG LEU 10 -16.367 18.299 -0.513
65 HD11 LEU 10 HD11 LEU 10 -18.201 17.507 1.056
66 HD12 LEU 10 HD12 LEU 10 -19.198 18.894 0.552
67 HD13 LEU 10 HD13 LEU 10 -18.764 17.631 -0.628
68 HD21 LEU 10 HD21 LEU 10 -17.955 19.429 -2.132
69 HD22 LEU 10 HD22 LEU 10 -18.206 20.741 -0.945
70 HD23 LEU 10 HD23 LEU 10 -16.612 20.493 -1.700
71 H SER 11 H SER 11 -14.318 19.718 3.239
72 HA SER 11 HA SER 11 -15.116 22.039 4.722
73 HB2 SER 11 HB2 SER 11 -13.569 21.125 6.530
74 HB3 SER 11 HB3 SER 11 -14.837 20.014 5.964
75 HG SER 11 HG SER 11 -12.143 19.877 5.036
76 H LYS 12 H LYS 12 -12.107 21.262 2.826
77 HA LYS 12 HA LYS 12 -10.622 23.475 3.933
78 HB2 LYS 12 HB2 LYS 12 -9.777 21.508 2.537
79 HB3 LYS 12 HB3 LYS 12 -10.404 22.327 1.088
80 HG2 LYS 12 HG2 LYS 12 -8.330 23.504 3.039
81 HG3 LYS 12 HG3 LYS 12 -7.936 22.561 1.589
82 HD2 LYS 12 HD2 LYS 12 -9.054 24.239 0.122
83 HD3 LYS 12 HD3 LYS 12 -9.406 25.252 1.535
84 HE2 LYS 12 HE2 LYS 12 -6.910 25.382 2.011
85 HE3 LYS 12 HE3 LYS 12 -6.628 24.486 0.493
86 HZ1 LYS 12 HZ1 LYS 12 -7.975 27.199 0.745
87 HZ2 LYS 12 HZ2 LYS 12 -6.376 26.891 0.145
88 HZ3 LYS 12 HZ3 LYS 12 -7.771 26.328 -0.735
89 H GLN 13 H GLN 13 -13.056 23.197 1.190
90 HA GLN 13 HA GLN 13 -12.825 25.942 0.470
91 HB2 GLN 13 HB2 GLN 13 -15.463 24.370 0.470
92 HB3 GLN 13 HB3 GLN 13 -15.135 25.906 -0.358
93 HG2 GLN 13 HG2 GLN 13 -13.374 24.732 -1.745
94 HG3 GLN 13 HG3 GLN 13 -13.943 23.184 -1.082
95 HE21 GLN 13 HE21 GLN 13 -17.217 23.415 -2.742
96 HE22 GLN 13 HE22 GLN 13 -16.606 23.016 -1.189
97 H LYS 14 H LYS 14 -14.619 24.322 3.173
98 HA LYS 14 HA LYS 14 -16.084 26.780 3.776
99 HB2 LYS 14 HB2 LYS 14 -15.627 24.325 5.523
100 HB3 LYS 14 HB3 LYS 14 -16.745 25.649 5.893
101 HG2 LYS 14 HG2 LYS 14 -18.098 25.153 3.830
102 HG3 LYS 14 HG3 LYS 14 -16.915 23.930 3.342
103 HD2 LYS 14 HD2 LYS 14 -17.374 22.649 5.465
104 HD3 LYS 14 HD3 LYS 14 -18.683 23.798 5.845
105 HE2 LYS 14 HE2 LYS 14 -19.851 23.171 3.726
106 HE3 LYS 14 HE3 LYS 14 -18.536 22.043 3.301
107 HZ1 LYS 14 HZ1 LYS 14 -19.167 21.111 5.731
108 H ASP 15 H ASP 15 -13.326 25.059 5.483
109 HA ASP 15 HA ASP 15 -12.695 27.113 7.242
110 HB2 ASP 15 H32 ASP 15 -10.880 25.203 5.650
111 HB3 ASP 15 H33 ASP 15 -10.234 26.274 6.903
112 H GLU 16 H GLU 16 -11.970 26.920 3.667
113 HA GLU 16 HA GLU 16 -10.204 29.203 3.762
114 HB2 GLU 16 HB2 GLU 16 -10.172 27.563 1.868
115 HB3 GLU 16 HB3 GLU 16 -11.776 28.127 1.353
116 HG2 GLU 16 HG2 GLU 16 -10.742 30.497 1.170
117 HG3 GLU 16 HG3 GLU 16 -9.158 29.754 1.482
118 H GLN 17 H GLN 17 -13.698 28.754 2.762
119 HA GLN 17 HA GLN 17 -14.215 31.466 2.235
120 HB2 GLN 17 H42 GLN 17 -15.817 29.577 1.741
121 HB3 GLN 17 H43 GLN 17 -16.090 29.369 3.491
122 HG2 GLN 17 H32 GLN 17 -17.958 30.604 2.513
123 HG3 GLN 17 H33 GLN 17 -17.075 31.685 3.613
124 HE21 GLN 17 H61 GLN 17 -15.951 33.856 0.930
125 HE22 GLN 17 H62 GLN 17 -15.656 33.426 2.571
126 H ARG 18 H ARG 18 -14.298 29.621 5.338
127 HA ARG 18 HA ARG 18 -15.534 31.780 6.795
128 HB2 ARG 18 H42 ARG 18 -14.046 29.239 7.672
129 HB3 ARG 18 H43 ARG 18 -14.831 30.352 8.816
130 HG2 ARG 18 H33 ARG 18 -17.033 29.963 7.891
131 HG3 ARG 18 H32 ARG 18 -16.407 29.138 6.442
132 HD2 ARG 18 H52 ARG 18 -15.586 27.270 7.774
133 HD3 ARG 18 H53 ARG 18 -16.205 28.045 9.283
134 HE ARG 18 H10 ARG 18 -18.372 27.885 7.454
135 HH11 ARG 18 H71 ARG 18 -19.873 26.208 7.555
136 HH12 ARG 18 H72 ARG 18 -19.482 24.723 8.344
137 HH21 ARG 18 H81 ARG 18 -16.264 25.689 9.295
138 HH22 ARG 18 H82 ARG 18 -17.464 24.415 9.335
139 H ALA 19 H ALA 19 -12.083 30.650 6.350
140 HA ALA 19 HA ALA 19 -11.010 32.646 8.106
141 HB1 ALA 19 H21 ALA 19 -9.782 31.308 5.624
142 HB2 ALA 19 H22 ALA 19 -8.883 32.419 6.703
143 HB3 ALA 19 H23 ALA 19 -9.516 30.867 7.342
144 H LYS 20 H LYS 20 -11.757 32.627 4.524
145 HA LYS 20 HA LYS 20 -10.837 35.235 4.024
146 HB2 LYS 20 H42 LYS 20 -13.135 33.698 2.711
147 HB3 LYS 20 H43 LYS 20 -12.579 35.304 2.173
148 HG2 LYS 20 H23 LYS 20 -10.353 34.480 1.608
149 HG3 LYS 20 H22 LYS 20 -10.655 32.918 2.393
150 HD2 LYS 20 H33 LYS 20 -10.812 32.669 -0.057
151 HD3 LYS 20 H32 LYS 20 -12.393 32.340 0.686
152 HE2 LYS 20 H53 LYS 20 -13.248 34.533 0.012
153 HE3 LYS 20 H52 LYS 20 -11.622 35.063 -0.511
154 HZ1 LYS 20 H71 LYS 20 -13.217 32.796 -1.716
155 HZ2 LYS 20 H72 LYS 20 -13.032 34.402 -2.411
156 HZ3 LYS 20 H73 LYS 20 -11.642 33.346 -2.254
157 H LEU 21 H LEU 21 -14.115 34.145 5.269
158 HA LEU 21 HA LEU 21 -15.197 36.801 5.217
159 HB2 LEU 21 HB2 LEU 21 -15.781 34.465 7.112
160 HB3 LEU 21 HB3 LEU 21 -16.726 35.966 7.119
161 HG LEU 21 HG LEU 21 -16.555 34.082 4.697
162 HD11 LEU 21 HD11 LEU 21 -18.854 33.337 5.396
163 HD12 LEU 21 HD12 LEU 21 -17.637 32.950 6.628
164 HD13 LEU 21 HD13 LEU 21 -18.719 34.341 6.870
165 HD21 LEU 21 HD21 LEU 21 -18.559 35.325 3.884
166 HD22 LEU 21 HD22 LEU 21 -18.463 36.429 5.277
167 HD23 LEU 21 HD23 LEU 21 -17.180 36.428 4.049
168 H PHE 22 H PHE 22 -13.281 34.935 7.707
169 HA PHE 22 HA PHE 22 -13.403 36.959 9.675
170 HB2 PHE 22 HB2 PHE 22 -12.563 34.640 10.061
171 HB3 PHE 22 HB3 PHE 22 -11.080 35.037 9.184
172 HD1 PHE 22 HD1 PHE 22 -13.027 35.575 12.305
173 HD2 PHE 22 HD2 PHE 22 -9.504 36.775 10.162
174 HE1 PHE 22 HE1 PHE 22 -12.005 36.340 14.420
175 HE2 PHE 22 HE2 PHE 22 -8.463 37.484 12.299
176 HZ PHE 22 HZ PHE 22 -9.721 37.307 14.419
177 H ILE 23 H ILE 23 -11.173 36.535 6.811
178 HA ILE 23 HA ILE 23 -9.541 38.797 7.575
179 HB ILE 23 HB ILE 23 -9.775 37.180 5.008
180 HG12 ILE 23 HG12 ILE 23 -7.295 36.972 5.308
181 HG13 ILE 23 HG13 ILE 23 -7.377 38.000 6.765
182 HG21 ILE 23 HG21 ILE 23 -8.310 39.855 5.224
183 HG22 ILE 23 HG22 ILE 23 -8.174 38.705 3.869
184 HG23 ILE 23 HG23 ILE 23 -9.714 39.516 4.179
185 HD11 ILE 23 HD11 ILE 23 -8.649 35.221 6.408
186 HD12 ILE 23 HD12 ILE 23 -7.198 35.599 7.368
187 HD13 ILE 23 HD13 ILE 23 -8.786 36.224 7.883
188 H GLU 24 H GLU 24 -12.501 38.459 5.426
189 HA GLU 24 HA GLU 24 -12.428 41.184 4.605
190 HB2 GLU 24 HB2 GLU 24 -14.921 39.443 5.108
191 HB3 GLU 24 HB3 GLU 24 -14.901 41.033 4.309
192 HG2 GLU 24 HG2 GLU 24 -13.335 40.055 2.532
193 HG3 GLU 24 HG3 GLU 24 -13.635 38.452 3.240
194 H TRP 25 H TRP 25 -13.733 39.542 7.542
195 HA TRP 25 HA TRP 25 -14.944 41.883 8.697
196 HB2 TRP 25 HB2 TRP 25 -15.516 39.622 9.415
197 HB3 TRP 25 HB3 TRP 25 -13.844 39.288 9.894
198 HD1 TRP 25 HD1 TRP 25 -16.871 41.307 11.130
199 HE1 TRP 25 HE1 TRP 25 -16.616 41.570 13.631
200 HE3 TRP 25 HE3 TRP 25 -12.064 39.442 11.713
201 HZ2 TRP 25 HZ2 TRP 25 -14.756 41.143 15.591
202 HZ3 TRP 25 HZ3 TRP 25 -11.114 39.446 14.017
203 HH2 TRP 25 HH2 TRP 25 -12.489 40.156 15.952
204 H LEU 26 H LEU 26 -11.547 40.487 8.969
205 HA LEU 26 HA LEU 26 -10.664 42.493 10.819
206 HB2 LEU 26 HB2 LEU 26 -9.131 41.043 8.591
207 HB3 LEU 26 HB3 LEU 26 -8.360 42.194 9.691
208 HG LEU 26 HG LEU 26 -9.666 39.552 10.565
209 HD11 LEU 26 HD11 LEU 26 -6.734 40.411 10.137
210 HD12 LEU 26 HD12 LEU 26 -7.212 38.895 10.927
211 HD13 LEU 26 HD13 LEU 26 -7.626 39.170 9.220
212 HD21 LEU 26 HD21 LEU 26 -8.102 41.691 12.144
213 HD22 LEU 26 HD22 LEU 26 -9.774 41.146 12.456
214 HD23 LEU 26 HD23 LEU 26 -8.426 40.042 12.750
215 H AIB 27 H ALA 27 -10.759 42.398 7.193
216 HB11 AIB 27 H21 ALA 27 -8.221 44.234 6.655
217 HB12 AIB 27 H22 ALA 27 -8.791 45.835 6.110
218 HB13 AIB 27 H23 ALA 27 -8.782 45.436 7.838
219 HB21 AIB 27 H31 ALA 27 -10.492 44.853 4.534
220 HB22 AIB 27 H32 ALA 27 -9.838 43.238 4.941
221 HB23 AIB 27 H33 ALA 27 -11.586 43.556 5.068
222 H ALA 28 H ALA 28 -12.884 44.048 7.304
223 HA ALA 28 HA ALA 28 -13.891 46.690 6.869
224 HB1 ALA 28 H21 ALA 28 -14.936 44.517 8.807
225 HB2 ALA 28 H22 ALA 28 -15.873 45.907 8.196
226 HB3 ALA 28 H23 ALA 28 -15.345 44.624 7.077
227 H GLY 29 H GLY 29 -12.166 45.170 9.635
228 HA2 GLY 29 HA2 GLY 29 -11.538 47.459 11.018
229 HA3 GLY 29 HA3 GLY 29 -13.180 47.090 11.580
230 H GLY 30 H GLY 30 -12.898 44.079 11.461
231 HA2 GLY 30 HA2 GLY 30 -12.035 42.411 12.872
232 HA3 GLY 30 HA3 GLY 30 -10.803 43.558 13.457
233 HA PRO 31 HA PRO 31 -14.186 43.316 16.747
234 HB2 PRO 31 HB2 PRO 31 -11.913 44.947 18.012
235 HB3 PRO 31 HB3 PRO 31 -13.012 43.799 18.828
236 HG2 PRO 31 HG2 PRO 31 -10.532 42.898 18.125
237 HG3 PRO 31 HG3 PRO 31 -11.951 41.905 17.674
238 HD2 PRO 31 HD2 PRO 31 -10.403 43.870 15.884
239 HD3 PRO 31 HD3 PRO 31 -10.912 42.179 15.511
240 H SER 32 H SER 32 -12.329 46.121 15.333
241 HA SER 32 HA SER 32 -13.982 48.149 16.423
242 HB2 SER 32 HB2 SER 32 -12.510 48.167 13.724
243 HB3 SER 32 HB3 SER 32 -13.018 49.600 14.674
244 HG SER 32 HG SER 32 -10.737 48.957 15.053
245 H SER 33 H SER 33 -14.473 45.995 13.515
246 HA SER 33 HA SER 33 -16.331 47.787 12.292
247 HB2 SER 33 HB2 SER 33 -17.056 45.817 10.924
248 HB3 SER 33 HB3 SER 33 -15.296 46.088 10.942
249 HG SER 33 HG SER 33 -15.775 43.829 11.340
250 H GLY 34 H GLY 34 -16.817 45.887 15.234
251 HA2 GLY 34 HA2 GLY 34 -18.811 46.651 16.423
252 HA3 GLY 34 HA3 GLY 34 -19.747 46.505 14.935
253 H ALA 35 H ALA 35 -19.220 44.133 13.803
254 HA ALA 35 HA ALA 35 -20.870 42.553 15.475
255 HB1 ALA 35 HB1 ALA 35 -19.298 41.732 12.984
256 HB2 ALA 35 HB2 ALA 35 -20.579 40.749 13.744
257 HB3 ALA 35 HB3 ALA 35 -20.981 42.339 13.026
258 HA PRO 36 HA PRO 36 -17.552 39.996 17.524
259 HB2 PRO 36 HB2 PRO 36 -19.789 37.906 17.059
260 HB3 PRO 36 HB3 PRO 36 -18.750 38.070 18.513
261 HG2 PRO 36 HG2 PRO 36 -21.266 39.068 18.638
262 HG3 PRO 36 HG3 PRO 36 -19.912 40.140 19.120
263 HD2 PRO 36 HD2 PRO 36 -21.338 40.156 16.378
264 HD3 PRO 36 HD3 PRO 36 -20.982 41.518 17.512
265 HA PRO 37 HA PRO 37 -16.024 38.496 13.703
266 HB2 PRO 37 HB2 PRO 37 -14.551 36.126 14.282
267 HB3 PRO 37 HB3 PRO 37 -14.031 37.792 14.654
268 HG2 PRO 37 HG2 PRO 37 -15.505 35.891 16.541
269 HG3 PRO 37 HG3 PRO 37 -13.994 36.793 16.861
270 HD2 PRO 37 HD2 PRO 37 -16.397 37.768 17.737
271 HD3 PRO 37 HD3 PRO 37 -15.248 38.923 16.957
272 HA PRO 38 HA PRO 38 -19.126 35.883 12.092
273 HB2 PRO 38 HB2 PRO 38 -18.189 35.190 9.579
274 HB3 PRO 38 HB3 PRO 38 -18.410 36.881 10.089
275 HG2 PRO 38 HG2 PRO 38 -15.775 35.320 10.245
276 HG3 PRO 38 HG3 PRO 38 -16.065 36.840 9.351
277 HD2 PRO 38 HD2 PRO 38 -15.064 36.908 11.909
278 HD3 PRO 38 HD3 PRO 38 -16.334 38.079 11.404
279 H SER 39 H SER 39 -18.842 34.192 13.912
280 HA SER 39 HA SER 39 -17.294 31.862 13.556
281 HB2 SER 39 HB2 SER 39 -20.137 31.901 14.743
282 HB3 SER 39 HB3 SER 39 -18.900 30.652 14.982
283 HG SER 39 HG SER 39 -17.640 32.302 16.092
284 HN1 NH2 40 H11 SER 39 -20.668 31.203 11.207
285 HN2 NH2 40 H12 SER 39 -20.715 32.487 12.356
286 H93 EVT 101 H93 XXX 40 -24.125 19.313 11.623
287 H92 EVT 101 H92 XXX 40 -25.154 20.200 10.471
288 H103 EVT 101 H103 XXX 40 -26.457 18.083 10.007
289 H102 EVT 101 H102 XXX 40 -25.445 17.215 11.186
290 H11 EVT 101 H11 XXX 40 -26.300 18.723 13.016
291 H122 EVT 101 H122 XXX 40 -28.754 15.002 11.874
292 H123 EVT 101 H123 XXX 40 -27.706 14.264 13.096
293 H133 EVT 101 H133 XXX 40 -29.059 15.275 14.920
294 H132 EVT 101 H132 XXX 40 -30.027 14.217 13.873
295 H143 EVT 101 H143 XXX 40 -30.836 16.339 12.631
296 H142 EVT 101 H142 XXX 40 -30.018 17.286 13.901
297 H153 EVT 101 H153 XXX 40 -31.407 15.995 15.632
298 H152 EVT 101 H152 XXX 40 -32.305 15.249 14.283
299 H6 EVT 101 H6 XXX 40 -23.280 20.613 8.967
300 H163 EVT 101 H163 XXX 40 -33.033 17.565 13.539
301 H162 EVT 101 H162 XXX 40 -32.158 18.260 14.929
302 H173 EVT 101 H173 XXX 40 -33.600 16.759 16.446
303 H172 EVT 101 H172 XXX 40 -34.579 16.354 15.011
304 H183 EVT 101 H183 XXX 40 -35.012 18.849 14.687
305 H182 EVT 101 H182 XXX 40 -34.146 19.147 16.214
306 H193 EVT 101 H193 XXX 40 -36.732 17.500 15.902
307 H192 EVT 101 H192 XXX 40 -36.620 19.169 16.505
308 H203 EVT 101 H203 XXX 40 -35.175 18.342 18.435
309 H202 EVT 101 H202 XXX 40 -35.464 16.667 17.880
310 H213 EVT 101 H213 XXX 40 -37.955 17.056 18.121
311 H212 EVT 101 H212 XXX 40 -37.613 18.669 18.803
312 H223 EVT 101 H223 XXX 40 -36.349 17.597 20.700
313 H222 EVT 101 H222 XXX 40 -36.646 15.993 19.970
314 H25 EVT 101 H25 XXX 40 -28.633 17.474 11.658
315 H293 EVT 101 H293 XXX 40 -39.114 16.320 20.227
316 H292 EVT 101 H292 XXX 40 -38.832 17.940 20.907
317 H303 EVT 101 H303 XXX 40 -39.363 16.334 22.686
318 H302 EVT 101 H302 XXX 40 -37.698 16.927 22.895
319 H313 EVT 101 H313 XXX 40 -36.760 14.814 22.035
320 H312 EVT 101 H312 XXX 40 -38.369 14.247 21.522
321 H321 EVT 101 H321 XXX 40 -37.582 14.806 24.453
322 H323 EVT 101 H323 XXX 40 -37.612 13.189 23.693
323 H322 EVT 101 H322 XXX 40 -39.126 14.110 23.877
324 H353 EVT 101 H353 XXX 40 -20.475 19.067 5.723
325 H352 EVT 101 H352 XXX 40 -22.039 19.081 4.888
326 H363 EVT 101 H363 XXX 40 -22.895 20.840 6.410
327 H362 EVT 101 H362 XXX 40 -21.315 20.981 7.208
328 H37 EVT 101 H37 XXX 40 -22.973 18.414 7.117
Start of MODEL 8
1 H1 HIS 1 H1 HIS 1 -10.625 8.229 9.409
2 H2 HIS 1 H2 HIS 1 -10.165 6.769 10.196
3 H3 HIS 1 H3 HIS 1 -9.383 7.229 8.699
4 HA HIS 1 HA HIS 1 -11.012 5.462 8.231
5 HB2 HIS 1 HB2 HIS 1 -13.036 7.456 9.431
6 HB3 HIS 1 HB3 HIS 1 -13.489 5.948 8.620
7 HD1 HIS 1 HD1 HIS 1 -14.020 6.830 11.611
8 HD2 HIS 1 HD2 HIS 1 -11.168 4.058 10.235
9 HE1 HIS 1 HE1 HIS 1 -13.545 5.278 13.558
10 H AIB 2 H AIB 2 -12.597 5.567 6.331
11 HB11 AIB 2 H31 AIB 2 -14.602 6.195 4.770
12 HB12 AIB 2 H32 AIB 2 -14.003 6.866 3.230
13 HB13 AIB 2 H33 AIB 2 -13.317 5.346 3.865
14 HB21 AIB 2 H21 AIB 2 -10.943 6.216 3.884
15 HB22 AIB 2 H22 AIB 2 -11.570 7.672 3.059
16 HB23 AIB 2 H23 AIB 2 -10.579 7.837 4.533
17 H GLN 3 H GLN 3 -14.523 7.844 6.607
18 HA GLN 3 HA GLN 3 -15.230 10.309 5.440
19 HB2 GLN 3 H42 GLN 3 -16.659 9.224 7.143
20 HB3 GLN 3 H43 GLN 3 -15.438 9.550 8.402
21 HG2 GLN 3 H32 GLN 3 -15.699 12.024 8.022
22 HG3 GLN 3 H33 GLN 3 -16.915 11.703 6.764
23 HE21 GLN 3 H61 GLN 3 -18.797 12.527 9.819
24 HE22 GLN 3 H62 GLN 3 -17.810 13.346 8.674
25 H GLY 4 H GLY 4 -12.983 9.599 8.273
26 HA2 GLY 4 HA2 GLY 4 -12.212 12.070 9.022
27 HA3 GLY 4 HA3 GLY 4 -11.012 10.774 8.803
28 H THR 5 H THR 5 -10.915 10.364 6.091
29 HA THR 5 HA THR 5 -9.320 12.630 5.337
30 HB THR 5 HB THR 5 -10.226 10.263 3.618
31 HG1 THR 5 HG1 THR 5 -7.910 10.578 5.264
32 HG21 THR 5 HG21 THR 5 -9.301 12.153 2.231
33 HG22 THR 5 HG22 THR 5 -7.889 12.265 3.320
34 HG23 THR 5 HG23 THR 5 -8.135 10.808 2.320
35 H PHE 6 H PHE 6 -12.619 11.407 4.176
36 HA PHE 6 HA PHE 6 -12.834 13.462 2.205
37 HB2 PHE 6 HB2 PHE 6 -15.069 11.959 3.665
38 HB3 PHE 6 HB3 PHE 6 -15.325 13.160 2.390
39 HD1 PHE 6 HD1 PHE 6 -14.051 12.795 0.113
40 HD2 PHE 6 HD2 PHE 6 -14.749 9.661 2.972
41 HE1 PHE 6 HE1 PHE 6 -14.002 11.127 -1.703
42 HE2 PHE 6 HE2 PHE 6 -14.637 7.991 1.159
43 HZ PHE 6 HZ PHE 6 -14.300 8.717 -1.185
44 H THR 7 H THR 7 -14.276 13.418 5.606
45 HA THR 7 HA THR 7 -15.285 15.999 5.310
46 HB THR 7 HB THR 7 -15.943 14.459 7.200
47 HG1 THR 7 HG1 THR 7 -16.389 16.767 7.385
48 HG21 THR 7 HG21 THR 7 -14.589 14.357 9.251
49 HG22 THR 7 HG22 THR 7 -13.581 13.748 7.929
50 HG23 THR 7 HG23 THR 7 -13.318 15.386 8.556
51 H SER 8 H SER 8 -11.902 14.994 6.191
52 HA SER 8 HA SER 8 -11.193 17.547 7.232
53 HB2 SER 8 HB2 SER 8 -8.874 17.082 6.769
54 HB3 SER 8 HB3 SER 8 -9.628 15.586 7.365
55 HG SER 8 HG SER 8 -9.723 14.963 5.069
56 H ASP 9 H ASP 9 -11.461 16.304 3.824
57 HA ASP 9 HA ASP 9 -10.409 18.717 2.668
58 HB2 ASP 9 HB2 ASP 9 -10.638 16.517 1.470
59 HB3 ASP 9 HB3 ASP 9 -12.390 16.786 1.387
60 H LEU 10 H LEU 10 -13.823 17.647 3.558
61 HA LEU 10 HA LEU 10 -15.091 19.957 2.563
62 HB2 LEU 10 HB2 LEU 10 -15.736 18.436 5.150
63 HB3 LEU 10 HB3 LEU 10 -16.760 19.726 4.525
64 HG LEU 10 HG LEU 10 -16.209 17.116 3.012
65 HD11 LEU 10 HD11 LEU 10 -17.584 16.816 5.162
66 HD12 LEU 10 HD12 LEU 10 -18.746 17.997 4.512
67 HD13 LEU 10 HD13 LEU 10 -18.492 16.444 3.687
68 HD21 LEU 10 HD21 LEU 10 -18.254 17.887 1.653
69 HD22 LEU 10 HD22 LEU 10 -18.164 19.460 2.464
70 HD23 LEU 10 HD23 LEU 10 -16.852 18.942 1.393
71 H SER 11 H SER 11 -13.524 19.514 5.867
72 HA SER 11 HA SER 11 -14.151 22.211 6.604
73 HB2 SER 11 HB2 SER 11 -12.314 21.956 8.316
74 HB3 SER 11 HB3 SER 11 -13.520 20.638 8.357
75 HG SER 11 HG SER 11 -11.315 19.790 8.347
76 H LYS 12 H LYS 12 -11.370 20.745 4.782
77 HA LYS 12 HA LYS 12 -9.746 23.082 4.911
78 HB2 LYS 12 HB2 LYS 12 -9.393 20.588 3.752
79 HB3 LYS 12 HB3 LYS 12 -9.776 21.515 2.292
80 HG2 LYS 12 HG2 LYS 12 -7.548 22.077 4.376
81 HG3 LYS 12 HG3 LYS 12 -7.329 21.132 2.885
82 HD2 LYS 12 HD2 LYS 12 -7.924 23.139 1.499
83 HD3 LYS 12 HD3 LYS 12 -8.106 24.089 2.998
84 HE2 LYS 12 HE2 LYS 12 -5.682 23.557 3.579
85 HE3 LYS 12 HE3 LYS 12 -5.526 22.757 2.005
86 HZ1 LYS 12 HZ1 LYS 12 -4.701 25.103 1.968
87 HZ2 LYS 12 HZ2 LYS 12 -6.051 24.915 0.903
88 HZ3 LYS 12 HZ3 LYS 12 -6.265 25.686 2.445
89 H GLN 13 H GLN 13 -12.631 22.246 2.888
90 HA GLN 13 HA GLN 13 -12.423 24.763 1.421
91 HB2 GLN 13 HB2 GLN 13 -14.858 22.908 1.683
92 HB3 GLN 13 HB3 GLN 13 -14.640 24.273 0.563
93 HG2 GLN 13 HG2 GLN 13 -12.491 22.990 -0.277
94 HG3 GLN 13 HG3 GLN 13 -13.173 21.573 0.549
95 HE21 GLN 13 HE21 GLN 13 -15.986 21.240 -1.697
96 HE22 GLN 13 HE22 GLN 13 -15.552 20.985 -0.048
97 H LYS 14 H LYS 14 -14.316 23.638 4.387
98 HA LYS 14 HA LYS 14 -15.803 26.093 4.480
99 HB2 LYS 14 HB2 LYS 14 -15.006 24.478 6.944
100 HB3 LYS 14 HB3 LYS 14 -16.212 25.770 6.842
101 HG2 LYS 14 HG2 LYS 14 -17.604 24.297 5.303
102 HG3 LYS 14 HG3 LYS 14 -16.361 23.033 5.454
103 HD2 LYS 14 HD2 LYS 14 -16.653 23.068 7.956
104 HD3 LYS 14 HD3 LYS 14 -18.029 24.179 7.766
105 HE2 LYS 14 HE2 LYS 14 -19.408 22.525 6.754
106 HE3 LYS 14 HE3 LYS 14 -18.029 21.505 6.310
107 HZ1 LYS 14 HZ1 LYS 14 -17.644 21.003 8.686
108 H ASP 15 H ASP 15 -12.842 25.056 6.437
109 HA ASP 15 HA ASP 15 -11.950 27.326 7.492
110 HB2 ASP 15 H32 ASP 15 -10.300 25.425 5.720
111 HB3 ASP 15 H33 ASP 15 -9.574 26.596 6.829
112 H GLU 16 H GLU 16 -11.687 26.547 3.915
113 HA GLU 16 HA GLU 16 -10.092 28.788 3.326
114 HB2 GLU 16 HB2 GLU 16 -10.596 26.843 1.738
115 HB3 GLU 16 HB3 GLU 16 -12.173 27.569 1.399
116 HG2 GLU 16 HG2 GLU 16 -10.979 29.682 0.622
117 HG3 GLU 16 HG3 GLU 16 -9.434 28.850 0.932
118 H GLN 17 H GLN 17 -13.700 28.360 3.081
119 HA GLN 17 HA GLN 17 -14.186 31.093 2.357
120 HB2 GLN 17 H42 GLN 17 -15.849 29.312 1.936
121 HB3 GLN 17 H43 GLN 17 -15.950 28.959 3.672
122 HG2 GLN 17 H32 GLN 17 -17.923 30.196 3.071
123 HG3 GLN 17 H33 GLN 17 -16.932 31.293 4.042
124 HE21 GLN 17 H61 GLN 17 -16.223 33.493 1.237
125 HE22 GLN 17 H62 GLN 17 -15.594 33.003 2.758
126 H ARG 18 H ARG 18 -14.274 29.339 5.559
127 HA ARG 18 HA ARG 18 -15.273 31.431 7.072
128 HB2 ARG 18 H42 ARG 18 -13.111 29.444 7.957
129 HB3 ARG 18 H43 ARG 18 -14.031 30.503 9.048
130 HG2 ARG 18 H33 ARG 18 -16.179 29.354 8.397
131 HG3 ARG 18 H32 ARG 18 -15.264 28.239 7.358
132 HD2 ARG 18 H52 ARG 18 -13.911 27.495 9.240
133 HD3 ARG 18 H53 ARG 18 -14.867 28.539 10.372
134 HE ARG 18 H10 ARG 18 -16.659 26.848 8.947
135 HH11 ARG 18 H71 ARG 18 -17.422 24.957 9.892
136 HH12 ARG 18 H72 ARG 18 -16.607 24.238 11.227
137 HH21 ARG 18 H81 ARG 18 -14.061 26.625 11.388
138 HH22 ARG 18 H82 ARG 18 -14.719 25.153 12.075
139 H ALA 19 H ALA 19 -11.791 30.756 6.193
140 HA ALA 19 HA ALA 19 -10.767 32.903 7.770
141 HB1 ALA 19 H21 ALA 19 -9.602 31.709 5.181
142 HB2 ALA 19 H22 ALA 19 -8.727 32.764 6.332
143 HB3 ALA 19 H23 ALA 19 -9.276 31.148 6.849
144 H LYS 20 H LYS 20 -11.815 32.692 4.272
145 HA LYS 20 HA LYS 20 -11.049 35.372 3.689
146 HB2 LYS 20 H42 LYS 20 -13.188 33.572 2.444
147 HB3 LYS 20 H43 LYS 20 -12.765 35.193 1.815
148 HG2 LYS 20 H23 LYS 20 -10.511 34.565 1.265
149 HG3 LYS 20 H22 LYS 20 -10.555 33.118 2.280
150 HD2 LYS 20 H33 LYS 20 -10.620 32.514 -0.102
151 HD3 LYS 20 H32 LYS 20 -12.109 31.973 0.743
152 HE2 LYS 20 H53 LYS 20 -13.389 33.862 -0.197
153 HE3 LYS 20 H52 LYS 20 -11.895 34.597 -0.877
154 HZ1 LYS 20 H71 LYS 20 -13.300 33.340 -2.536
155 HZ2 LYS 20 H72 LYS 20 -11.668 32.727 -2.411
156 HZ3 LYS 20 H73 LYS 20 -12.987 31.872 -1.649
157 H LEU 21 H LEU 21 -14.052 34.087 5.267
158 HA LEU 21 HA LEU 21 -15.374 36.654 5.178
159 HB2 LEU 21 HB2 LEU 21 -15.675 34.440 7.299
160 HB3 LEU 21 HB3 LEU 21 -16.785 35.804 7.094
161 HG LEU 21 HG LEU 21 -16.337 33.600 4.980
162 HD11 LEU 21 HD11 LEU 21 -18.506 32.665 5.701
163 HD12 LEU 21 HD12 LEU 21 -17.357 32.655 7.053
164 HD13 LEU 21 HD13 LEU 21 -18.623 33.907 6.983
165 HD21 LEU 21 HD21 LEU 21 -18.426 34.503 3.954
166 HD22 LEU 21 HD22 LEU 21 -18.466 35.812 5.172
167 HD23 LEU 21 HD23 LEU 21 -17.159 35.740 3.965
168 H PHE 22 H PHE 22 -13.225 34.938 7.562
169 HA PHE 22 HA PHE 22 -13.379 36.952 9.550
170 HB2 PHE 22 HB2 PHE 22 -12.404 34.584 9.769
171 HB3 PHE 22 HB3 PHE 22 -10.927 35.177 8.994
172 HD1 PHE 22 HD1 PHE 22 -13.304 35.633 11.854
173 HD2 PHE 22 HD2 PHE 22 -9.374 36.557 10.387
174 HE1 PHE 22 HE1 PHE 22 -12.697 36.557 14.067
175 HE2 PHE 22 HE2 PHE 22 -8.677 37.148 12.704
176 HZ PHE 22 HZ PHE 22 -10.345 37.227 14.518
177 H ILE 23 H ILE 23 -11.237 36.624 6.656
178 HA ILE 23 HA ILE 23 -9.612 38.907 7.387
179 HB ILE 23 HB ILE 23 -9.904 37.213 4.888
180 HG12 ILE 23 HG12 ILE 23 -7.418 37.162 5.034
181 HG13 ILE 23 HG13 ILE 23 -7.452 38.351 6.363
182 HG21 ILE 23 HG21 ILE 23 -8.771 40.059 4.783
183 HG22 ILE 23 HG22 ILE 23 -8.488 38.815 3.542
184 HG23 ILE 23 HG23 ILE 23 -10.142 39.386 3.861
185 HD11 ILE 23 HD11 ILE 23 -8.573 35.492 6.431
186 HD12 ILE 23 HD12 ILE 23 -7.063 36.059 7.201
187 HD13 ILE 23 HD13 ILE 23 -8.637 36.651 7.801
188 H GLU 24 H GLU 24 -12.540 38.614 5.280
189 HA GLU 24 HA GLU 24 -12.611 41.350 4.623
190 HB2 GLU 24 HB2 GLU 24 -14.866 39.291 5.031
191 HB3 GLU 24 HB3 GLU 24 -15.229 40.969 4.560
192 HG2 GLU 24 HG2 GLU 24 -14.060 40.779 2.471
193 HG3 GLU 24 HG3 GLU 24 -13.174 39.322 2.990
194 H TRP 25 H TRP 25 -13.769 39.589 7.603
195 HA TRP 25 HA TRP 25 -15.007 41.925 8.774
196 HB2 TRP 25 HB2 TRP 25 -15.577 39.671 9.466
197 HB3 TRP 25 HB3 TRP 25 -13.914 39.350 9.990
198 HD1 TRP 25 HD1 TRP 25 -16.830 41.673 11.032
199 HE1 TRP 25 HE1 TRP 25 -16.626 42.106 13.517
200 HE3 TRP 25 HE3 TRP 25 -12.316 39.326 11.945
201 HZ2 TRP 25 HZ2 TRP 25 -14.934 41.617 15.574
202 HZ3 TRP 25 HZ3 TRP 25 -11.457 39.423 14.279
203 HH2 TRP 25 HH2 TRP 25 -12.768 40.479 16.081
204 H LEU 26 H LEU 26 -11.653 40.488 9.108
205 HA LEU 26 HA LEU 26 -10.793 42.391 11.073
206 HB2 LEU 26 HB2 LEU 26 -9.236 40.941 8.877
207 HB3 LEU 26 HB3 LEU 26 -8.462 41.996 10.096
208 HG LEU 26 HG LEU 26 -10.028 39.422 10.761
209 HD11 LEU 26 HD11 LEU 26 -7.018 39.968 10.342
210 HD12 LEU 26 HD12 LEU 26 -7.637 38.492 11.114
211 HD13 LEU 26 HD13 LEU 26 -8.057 38.838 9.419
212 HD21 LEU 26 HD21 LEU 26 -8.132 41.134 12.475
213 HD22 LEU 26 HD22 LEU 26 -9.913 41.037 12.677
214 HD23 LEU 26 HD23 LEU 26 -8.911 39.605 12.970
215 H AIB 27 H ALA 27 -10.785 42.407 7.432
216 HB11 AIB 27 H21 ALA 27 -8.221 44.200 6.834
217 HB12 AIB 27 H22 ALA 27 -8.744 45.846 6.403
218 HB13 AIB 27 H23 ALA 27 -8.682 45.361 8.103
219 HB21 AIB 27 H31 ALA 27 -10.510 44.919 4.823
220 HB22 AIB 27 H32 ALA 27 -9.921 43.278 5.207
221 HB23 AIB 27 H33 ALA 27 -11.654 43.672 5.386
222 H ALA 28 H ALA 28 -12.876 44.121 7.660
223 HA ALA 28 HA ALA 28 -13.758 46.832 7.279
224 HB1 ALA 28 H21 ALA 28 -14.991 44.606 9.007
225 HB2 ALA 28 H22 ALA 28 -15.823 46.082 8.428
226 HB3 ALA 28 H23 ALA 28 -15.294 44.833 7.262
227 H GLY 29 H GLY 29 -11.728 45.591 9.856
228 HA2 GLY 29 HA2 GLY 29 -11.228 47.569 11.423
229 HA3 GLY 29 HA3 GLY 29 -12.943 47.466 11.833
230 H GLY 30 H GLY 30 -12.802 44.268 11.464
231 HA2 GLY 30 HA2 GLY 30 -12.414 42.531 12.966
232 HA3 GLY 30 HA3 GLY 30 -11.020 43.462 13.542
233 HA PRO 31 HA PRO 31 -14.183 43.713 16.995
234 HB2 PRO 31 HB2 PRO 31 -11.675 45.131 18.104
235 HB3 PRO 31 HB3 PRO 31 -12.826 44.101 18.995
236 HG2 PRO 31 HG2 PRO 31 -10.488 42.971 18.161
237 HG3 PRO 31 HG3 PRO 31 -12.014 42.104 17.801
238 HD2 PRO 31 HD2 PRO 31 -10.431 43.946 15.905
239 HD3 PRO 31 HD3 PRO 31 -11.051 42.278 15.583
240 H SER 32 H SER 32 -12.107 46.316 15.463
241 HA SER 32 HA SER 32 -13.612 48.473 16.631
242 HB2 SER 32 HB2 SER 32 -11.876 48.462 14.101
243 HB3 SER 32 HB3 SER 32 -12.386 49.894 15.041
244 HG SER 32 HG SER 32 -10.239 49.090 15.699
245 H SER 33 H SER 33 -14.255 46.341 13.788
246 HA SER 33 HA SER 33 -15.547 48.227 12.167
247 HB2 SER 33 HB2 SER 33 -16.785 46.311 11.173
248 HB3 SER 33 HB3 SER 33 -15.065 45.904 11.415
249 HG SER 33 HG SER 33 -16.502 44.213 12.264
250 H GLY 34 H GLY 34 -16.879 46.235 14.927
251 HA2 GLY 34 HA2 GLY 34 -18.773 47.297 16.165
252 HA3 GLY 34 HA3 GLY 34 -19.512 47.683 14.599
253 H ALA 35 H ALA 35 -18.874 45.322 13.078
254 HA ALA 35 HA ALA 35 -21.084 43.763 13.922
255 HB1 ALA 35 HB1 ALA 35 -20.430 42.166 12.101
256 HB2 ALA 35 HB2 ALA 35 -20.467 43.855 11.530
257 HB3 ALA 35 HB3 ALA 35 -18.906 43.070 11.887
258 HA PRO 36 HA PRO 36 -18.657 40.919 16.649
259 HB2 PRO 36 HB2 PRO 36 -20.714 38.937 15.497
260 HB3 PRO 36 HB3 PRO 36 -20.201 39.066 17.206
261 HG2 PRO 36 HG2 PRO 36 -22.563 40.142 16.587
262 HG3 PRO 36 HG3 PRO 36 -21.393 41.132 17.502
263 HD2 PRO 36 HD2 PRO 36 -21.917 41.281 14.464
264 HD3 PRO 36 HD3 PRO 36 -21.865 42.609 15.692
265 HA PRO 37 HA PRO 37 -16.316 38.925 13.374
266 HB2 PRO 37 HB2 PRO 37 -15.185 36.639 14.571
267 HB3 PRO 37 HB3 PRO 37 -14.714 38.297 15.041
268 HG2 PRO 37 HG2 PRO 37 -16.839 36.548 16.345
269 HG3 PRO 37 HG3 PRO 37 -15.435 37.316 17.152
270 HD2 PRO 37 HD2 PRO 37 -17.864 38.514 17.236
271 HD3 PRO 37 HD3 PRO 37 -16.430 39.543 16.874
272 HA PRO 38 HA PRO 38 -19.208 35.906 11.738
273 HB2 PRO 38 HB2 PRO 38 -17.867 34.947 9.510
274 HB3 PRO 38 HB3 PRO 38 -18.199 36.684 9.690
275 HG2 PRO 38 HG2 PRO 38 -15.578 35.318 10.514
276 HG3 PRO 38 HG3 PRO 38 -15.819 36.669 9.354
277 HD2 PRO 38 HD2 PRO 38 -15.181 37.124 11.994
278 HD3 PRO 38 HD3 PRO 38 -16.370 38.179 11.143
279 H SER 39 H SER 39 -18.752 34.732 13.992
280 HA SER 39 HA SER 39 -17.116 32.311 13.702
281 HB2 SER 39 HB2 SER 39 -18.943 32.932 16.083
282 HB3 SER 39 HB3 SER 39 -17.529 31.862 16.002
283 HG SER 39 HG SER 39 -16.295 33.888 15.584
284 HN1 NH2 40 H11 SER 39 -21.204 31.487 13.640
285 HN2 NH2 40 H12 SER 39 -20.699 32.929 14.424
286 H93 EVT 101 H93 XXX 40 -24.565 18.884 13.709
287 H92 EVT 101 H92 XXX 40 -25.218 18.030 12.294
288 H103 EVT 101 H103 XXX 40 -24.345 15.887 13.087
289 H102 EVT 101 H102 XXX 40 -23.401 16.667 14.370
290 H11 EVT 101 H11 XXX 40 -25.392 17.153 15.665
291 H122 EVT 101 H122 XXX 40 -25.203 12.523 15.574
292 H123 EVT 101 H123 XXX 40 -23.606 12.763 16.298
293 H133 EVT 101 H133 XXX 40 -24.737 13.511 18.456
294 H132 EVT 101 H132 XXX 40 -25.032 11.807 18.053
295 H143 EVT 101 H143 XXX 40 -27.281 12.266 17.236
296 H142 EVT 101 H142 XXX 40 -27.011 14.024 17.288
297 H153 EVT 101 H153 XXX 40 -26.746 13.907 19.778
298 H152 EVT 101 H152 XXX 40 -27.113 12.163 19.736
299 H6 EVT 101 H6 XXX 40 -22.169 19.246 13.795
300 H163 EVT 101 H163 XXX 40 -29.396 12.666 18.779
301 H162 EVT 101 H162 XXX 40 -28.987 14.401 18.745
302 H173 EVT 101 H173 XXX 40 -28.645 14.289 21.263
303 H172 EVT 101 H172 XXX 40 -29.288 12.624 21.240
304 H183 EVT 101 H183 XXX 40 -31.417 13.540 20.147
305 H182 EVT 101 H182 XXX 40 -30.764 15.186 20.348
306 H193 EVT 101 H193 XXX 40 -31.513 13.218 22.595
307 H192 EVT 101 H192 XXX 40 -32.380 14.690 22.128
308 H203 EVT 101 H203 XXX 40 -30.374 16.079 22.779
309 H202 EVT 101 H202 XXX 40 -29.564 14.593 23.352
310 H213 EVT 101 H213 XXX 40 -31.367 14.204 25.017
311 H212 EVT 101 H212 XXX 40 -32.208 15.671 24.458
312 H223 EVT 101 H223 XXX 40 -30.191 17.045 25.058
313 H222 EVT 101 H222 XXX 40 -29.359 15.576 25.619
314 H25 EVT 101 H25 XXX 40 -26.297 14.521 14.791
315 H293 EVT 101 H293 XXX 40 -30.884 15.311 27.514
316 H292 EVT 101 H292 XXX 40 -32.039 16.481 26.833
317 H303 EVT 101 H303 XXX 40 -30.864 17.582 28.659
318 H302 EVT 101 H302 XXX 40 -30.340 18.318 27.126
319 H313 EVT 101 H313 XXX 40 -28.241 16.826 27.227
320 H312 EVT 101 H312 XXX 40 -28.796 16.271 28.826
321 H321 EVT 101 H321 XXX 40 -28.658 18.656 29.663
322 H323 EVT 101 H323 XXX 40 -28.157 19.204 28.043
323 H322 EVT 101 H322 XXX 40 -27.094 18.125 28.975
324 H353 EVT 101 H353 XXX 40 -18.769 20.501 10.805
325 H352 EVT 101 H352 XXX 40 -19.389 19.184 9.778
326 H363 EVT 101 H363 XXX 40 -21.741 19.873 10.367
327 H362 EVT 101 H362 XXX 40 -21.101 21.131 11.451
328 H37 EVT 101 H37 XXX 40 -20.500 18.121 11.730
Start of MODEL 9
1 H1 HIS 1 H1 HIS 1 -10.959 6.444 5.230
2 H2 HIS 1 H2 HIS 1 -10.491 7.529 3.959
3 H3 HIS 1 H3 HIS 1 -11.668 8.020 5.126
4 HA HIS 1 HA HIS 1 -12.040 5.785 3.109
5 HB2 HIS 1 HB2 HIS 1 -14.118 7.219 4.860
6 HB3 HIS 1 HB3 HIS 1 -14.424 5.821 3.813
7 HD1 HIS 1 HD1 HIS 1 -14.808 6.225 6.977
8 HD2 HIS 1 HD2 HIS 1 -11.900 3.938 4.978
9 HE1 HIS 1 HE1 HIS 1 -14.056 4.483 8.632
10 H AIB 2 H AIB 2 -13.908 6.490 1.471
11 HB11 AIB 2 H31 AIB 2 -16.153 7.650 0.601
12 HB12 AIB 2 H32 AIB 2 -15.758 8.821 -0.677
13 HB13 AIB 2 H33 AIB 2 -15.078 7.176 -0.742
14 HB21 AIB 2 H21 AIB 2 -12.649 7.994 -0.802
15 HB22 AIB 2 H22 AIB 2 -13.348 9.635 -0.965
16 HB23 AIB 2 H23 AIB 2 -12.141 9.292 0.300
17 H GLN 3 H GLN 3 -15.574 8.480 2.911
18 HA GLN 3 HA GLN 3 -16.268 11.237 2.952
19 HB2 GLN 3 H42 GLN 3 -17.494 9.564 4.262
20 HB3 GLN 3 H43 GLN 3 -16.086 9.274 5.312
21 HG2 GLN 3 H32 GLN 3 -16.138 11.637 6.119
22 HG3 GLN 3 H33 GLN 3 -17.502 12.004 5.042
23 HE21 GLN 3 H61 GLN 3 -19.879 9.968 6.933
24 HE22 GLN 3 H62 GLN 3 -19.514 10.405 5.312
25 H GLY 4 H GLY 4 -13.679 9.532 5.002
26 HA2 GLY 4 HA2 GLY 4 -12.733 11.695 6.297
27 HA3 GLY 4 HA3 GLY 4 -11.625 10.459 5.680
28 H THR 5 H THR 5 -11.398 10.766 3.019
29 HA THR 5 HA THR 5 -9.822 13.112 2.760
30 HB THR 5 HB THR 5 -11.154 11.468 0.532
31 HG1 THR 5 HG1 THR 5 -8.570 11.188 1.739
32 HG21 THR 5 HG21 THR 5 -10.329 13.606 -0.405
33 HG22 THR 5 HG22 THR 5 -8.747 13.383 0.398
34 HG23 THR 5 HG23 THR 5 -9.258 12.270 -0.893
35 H PHE 6 H PHE 6 -13.255 12.414 1.720
36 HA PHE 6 HA PHE 6 -13.406 14.942 0.290
37 HB2 PHE 6 HB2 PHE 6 -15.683 13.088 1.177
38 HB3 PHE 6 HB3 PHE 6 -15.794 14.461 0.053
39 HD1 PHE 6 HD1 PHE 6 -16.761 11.727 -0.559
40 HD2 PHE 6 HD2 PHE 6 -12.807 13.299 -1.192
41 HE1 PHE 6 HE1 PHE 6 -16.547 10.377 -2.607
42 HE2 PHE 6 HE2 PHE 6 -12.614 11.951 -3.233
43 HZ PHE 6 HZ PHE 6 -14.511 10.553 -4.004
44 H THR 7 H THR 7 -14.952 13.897 3.487
45 HA THR 7 HA THR 7 -15.897 16.498 3.908
46 HB THR 7 HB THR 7 -16.650 14.435 5.237
47 HG1 THR 7 HG1 THR 7 -17.238 16.603 5.951
48 HG21 THR 7 HG21 THR 7 -14.196 15.116 6.952
49 HG22 THR 7 HG22 THR 7 -15.431 13.888 7.312
50 HG23 THR 7 HG23 THR 7 -14.323 13.656 5.933
51 H SER 8 H SER 8 -12.568 15.122 4.409
52 HA SER 8 HA SER 8 -11.759 17.300 6.081
53 HB2 SER 8 HB2 SER 8 -9.413 16.842 5.385
54 HB3 SER 8 HB3 SER 8 -10.258 15.430 6.046
55 HG SER 8 HG SER 8 -9.819 15.845 3.258
56 H ASP 9 H ASP 9 -11.888 16.837 2.460
57 HA ASP 9 HA ASP 9 -10.801 19.474 1.920
58 HB2 ASP 9 HB2 ASP 9 -10.800 17.870 0.110
59 HB3 ASP 9 HB3 ASP 9 -12.531 17.542 0.277
60 H LEU 10 H LEU 10 -14.176 18.285 2.707
61 HA LEU 10 HA LEU 10 -15.302 20.853 2.155
62 HB2 LEU 10 HB2 LEU 10 -16.251 18.865 4.257
63 HB3 LEU 10 HB3 LEU 10 -17.154 20.289 3.723
64 HG LEU 10 HG LEU 10 -16.481 17.934 1.896
65 HD11 LEU 10 HD11 LEU 10 -18.208 17.391 3.679
66 HD12 LEU 10 HD12 LEU 10 -19.178 18.785 3.147
67 HD13 LEU 10 HD13 LEU 10 -18.910 17.415 2.048
68 HD21 LEU 10 HD21 LEU 10 -18.114 19.006 0.332
69 HD22 LEU 10 HD22 LEU 10 -18.203 20.426 1.410
70 HD23 LEU 10 HD23 LEU 10 -16.690 20.022 0.552
71 H SER 11 H SER 11 -13.557 19.565 5.092
72 HA SER 11 HA SER 11 -14.250 21.867 6.644
73 HB2 SER 11 HB2 SER 11 -12.517 21.345 8.193
74 HB3 SER 11 HB3 SER 11 -13.248 19.795 7.723
75 HG SER 11 HG SER 11 -11.319 19.591 6.314
76 H LYS 12 H LYS 12 -11.425 21.070 4.414
77 HA LYS 12 HA LYS 12 -9.996 23.478 4.995
78 HB2 LYS 12 HB2 LYS 12 -9.100 21.477 3.854
79 HB3 LYS 12 HB3 LYS 12 -10.097 21.768 2.428
80 HG2 LYS 12 HG2 LYS 12 -7.968 23.664 3.576
81 HG3 LYS 12 HG3 LYS 12 -7.661 22.482 2.283
82 HD2 LYS 12 HD2 LYS 12 -9.508 24.922 2.021
83 HD3 LYS 12 HD3 LYS 12 -7.870 24.766 1.379
84 HE2 LYS 12 HE2 LYS 12 -8.574 22.968 -0.151
85 HE3 LYS 12 HE3 LYS 12 -10.224 22.995 0.519
86 HZ1 LYS 12 HZ1 LYS 12 -10.439 25.372 -0.188
87 HZ2 LYS 12 HZ2 LYS 12 -8.899 25.258 -0.976
88 HZ3 LYS 12 HZ3 LYS 12 -10.241 24.278 -1.509
89 H GLN 13 H GLN 13 -12.487 22.698 2.451
90 HA GLN 13 HA GLN 13 -12.491 25.329 1.373
91 HB2 GLN 13 HB2 GLN 13 -14.616 23.132 1.445
92 HB3 GLN 13 HB3 GLN 13 -14.920 24.684 0.648
93 HG2 GLN 13 HG2 GLN 13 -13.043 24.398 -0.903
94 HG3 GLN 13 HG3 GLN 13 -12.513 22.928 -0.069
95 HE21 GLN 13 HE21 GLN 13 -15.112 20.799 -1.322
96 HE22 GLN 13 HE22 GLN 13 -14.083 21.042 0.033
97 H LYS 14 H LYS 14 -14.500 23.931 4.110
98 HA LYS 14 HA LYS 14 -15.939 26.410 4.468
99 HB2 LYS 14 HB2 LYS 14 -15.437 24.029 6.310
100 HB3 LYS 14 HB3 LYS 14 -16.057 25.544 6.993
101 HG2 LYS 14 HG2 LYS 14 -17.986 25.585 5.609
102 HG3 LYS 14 HG3 LYS 14 -17.442 24.249 4.587
103 HD2 LYS 14 HD2 LYS 14 -17.997 23.883 7.586
104 HD3 LYS 14 HD3 LYS 14 -19.271 23.739 6.349
105 HE2 LYS 14 HE2 LYS 14 -18.061 21.885 5.245
106 HE3 LYS 14 HE3 LYS 14 -16.751 21.998 6.427
107 HZ1 LYS 14 HZ1 LYS 14 -18.138 21.015 8.052
108 H ASP 15 H ASP 15 -13.111 25.103 6.419
109 HA ASP 15 HA ASP 15 -12.467 27.400 7.749
110 HB2 ASP 15 H32 ASP 15 -10.609 25.352 6.446
111 HB3 ASP 15 H33 ASP 15 -10.009 26.622 7.523
112 H GLU 16 H GLU 16 -11.823 26.820 4.208
113 HA GLU 16 HA GLU 16 -10.128 29.140 3.990
114 HB2 GLU 16 HB2 GLU 16 -10.085 27.335 2.279
115 HB3 GLU 16 HB3 GLU 16 -11.741 27.729 1.788
116 HG2 GLU 16 HG2 GLU 16 -10.938 30.090 1.213
117 HG3 GLU 16 HG3 GLU 16 -9.275 29.540 1.567
118 H GLN 17 H GLN 17 -13.616 28.574 2.987
119 HA GLN 17 HA GLN 17 -14.208 31.270 2.379
120 HB2 GLN 17 H42 GLN 17 -15.707 29.267 1.931
121 HB3 GLN 17 H43 GLN 17 -16.034 29.156 3.675
122 HG2 GLN 17 H32 GLN 17 -17.899 30.292 2.554
123 HG3 GLN 17 H33 GLN 17 -17.068 31.479 3.581
124 HE21 GLN 17 H61 GLN 17 -16.125 33.525 0.781
125 HE22 GLN 17 H62 GLN 17 -16.032 33.326 2.488
126 H ARG 18 H ARG 18 -14.319 29.531 5.543
127 HA ARG 18 HA ARG 18 -15.474 31.694 6.989
128 HB2 ARG 18 H42 ARG 18 -13.646 29.416 7.895
129 HB3 ARG 18 H43 ARG 18 -14.451 30.521 9.012
130 HG2 ARG 18 H33 ARG 18 -16.693 29.803 8.259
131 HG3 ARG 18 H32 ARG 18 -16.002 28.734 7.021
132 HD2 ARG 18 H52 ARG 18 -14.855 27.401 8.758
133 HD3 ARG 18 H53 ARG 18 -15.604 28.436 10.030
134 HE ARG 18 H10 ARG 18 -17.683 27.438 8.361
135 HH11 ARG 18 H71 ARG 18 -18.910 25.673 9.022
136 HH12 ARG 18 H72 ARG 18 -18.308 24.561 10.194
137 HH21 ARG 18 H81 ARG 18 -15.275 26.223 10.693
138 HH22 ARG 18 H82 ARG 18 -16.262 24.841 11.129
139 H ALA 19 H ALA 19 -11.994 30.793 6.307
140 HA ALA 19 HA ALA 19 -10.978 32.976 7.867
141 HB1 ALA 19 H21 ALA 19 -9.722 31.491 5.498
142 HB2 ALA 19 H22 ALA 19 -8.869 32.711 6.479
143 HB3 ALA 19 H23 ALA 19 -9.434 31.193 7.226
144 H LYS 20 H LYS 20 -12.102 32.716 4.395
145 HA LYS 20 HA LYS 20 -11.152 35.294 3.650
146 HB2 LYS 20 H42 LYS 20 -13.712 33.981 2.597
147 HB3 LYS 20 H43 LYS 20 -12.870 35.387 1.907
148 HG2 LYS 20 H23 LYS 20 -10.830 33.855 1.514
149 HG3 LYS 20 H22 LYS 20 -11.837 32.503 2.074
150 HD2 LYS 20 H33 LYS 20 -12.016 32.299 -0.248
151 HD3 LYS 20 H32 LYS 20 -13.532 33.086 0.239
152 HE2 LYS 20 H53 LYS 20 -12.481 35.329 -0.448
153 HE3 LYS 20 H52 LYS 20 -11.012 34.447 -0.926
154 HZ1 LYS 20 H71 LYS 20 -12.442 34.912 -2.848
155 HZ2 LYS 20 H72 LYS 20 -12.353 33.179 -2.567
156 HZ3 LYS 20 H73 LYS 20 -13.785 34.076 -2.083
157 H LEU 21 H LEU 21 -14.279 34.164 5.178
158 HA LEU 21 HA LEU 21 -15.486 36.766 5.254
159 HB2 LEU 21 HB2 LEU 21 -15.800 34.434 7.236
160 HB3 LEU 21 HB3 LEU 21 -16.854 35.861 7.181
161 HG LEU 21 HG LEU 21 -16.620 33.830 4.885
162 HD11 LEU 21 HD11 LEU 21 -18.805 32.958 5.686
163 HD12 LEU 21 HD12 LEU 21 -17.585 32.766 6.960
164 HD13 LEU 21 HD13 LEU 21 -18.770 34.080 7.074
165 HD21 LEU 21 HD21 LEU 21 -17.425 36.107 4.149
166 HD22 LEU 21 HD22 LEU 21 -18.703 34.884 4.055
167 HD23 LEU 21 HD23 LEU 21 -18.692 36.045 5.400
168 H PHE 22 H PHE 22 -13.252 34.998 7.517
169 HA PHE 22 HA PHE 22 -13.331 37.010 9.536
170 HB2 PHE 22 HB2 PHE 22 -12.360 34.646 9.754
171 HB3 PHE 22 HB3 PHE 22 -10.943 35.215 8.849
172 HD1 PHE 22 HD1 PHE 22 -13.137 36.016 11.797
173 HD2 PHE 22 HD2 PHE 22 -9.172 36.328 10.194
174 HE1 PHE 22 HE1 PHE 22 -12.320 36.735 14.005
175 HE2 PHE 22 HE2 PHE 22 -8.311 36.840 12.471
176 HZ PHE 22 HZ PHE 22 -9.878 37.070 14.372
177 H ILE 23 H ILE 23 -11.286 36.683 6.542
178 HA ILE 23 HA ILE 23 -9.683 38.987 7.242
179 HB ILE 23 HB ILE 23 -10.007 37.326 4.730
180 HG12 ILE 23 HG12 ILE 23 -7.509 37.359 4.816
181 HG13 ILE 23 HG13 ILE 23 -7.560 38.518 6.160
182 HG21 ILE 23 HG21 ILE 23 -8.821 40.160 4.662
183 HG22 ILE 23 HG22 ILE 23 -8.700 38.946 3.361
184 HG23 ILE 23 HG23 ILE 23 -10.280 39.612 3.793
185 HD11 ILE 23 HD11 ILE 23 -8.546 35.591 6.211
186 HD12 ILE 23 HD12 ILE 23 -7.097 36.225 7.024
187 HD13 ILE 23 HD13 ILE 23 -8.704 36.713 7.593
188 H GLU 24 H GLU 24 -12.803 38.636 5.365
189 HA GLU 24 HA GLU 24 -12.855 41.370 4.586
190 HB2 GLU 24 HB2 GLU 24 -15.319 39.706 5.423
191 HB3 GLU 24 HB3 GLU 24 -15.306 41.249 4.528
192 HG2 GLU 24 HG2 GLU 24 -13.934 40.017 2.706
193 HG3 GLU 24 HG3 GLU 24 -14.358 38.502 3.535
194 H TRP 25 H TRP 25 -13.876 39.662 7.606
195 HA TRP 25 HA TRP 25 -14.925 41.998 8.908
196 HB2 TRP 25 HB2 TRP 25 -15.522 39.731 9.555
197 HB3 TRP 25 HB3 TRP 25 -13.846 39.336 9.987
198 HD1 TRP 25 HD1 TRP 25 -16.801 41.456 11.245
199 HE1 TRP 25 HE1 TRP 25 -16.497 41.790 13.738
200 HE3 TRP 25 HE3 TRP 25 -12.112 39.329 11.842
201 HZ2 TRP 25 HZ2 TRP 25 -14.609 41.416 15.672
202 HZ3 TRP 25 HZ3 TRP 25 -11.152 39.326 14.156
203 HH2 TRP 25 HH2 TRP 25 -12.376 40.334 16.031
204 H LEU 26 H LEU 26 -11.583 40.471 9.050
205 HA LEU 26 HA LEU 26 -10.594 42.295 11.014
206 HB2 LEU 26 HB2 LEU 26 -9.137 40.964 8.663
207 HB3 LEU 26 HB3 LEU 26 -8.301 41.924 9.902
208 HG LEU 26 HG LEU 26 -9.871 39.357 10.544
209 HD11 LEU 26 HD11 LEU 26 -7.942 38.848 9.039
210 HD12 LEU 26 HD12 LEU 26 -6.851 39.806 10.075
211 HD13 LEU 26 HD13 LEU 26 -7.572 38.300 10.687
212 HD21 LEU 26 HD21 LEU 26 -7.860 40.996 12.201
213 HD22 LEU 26 HD22 LEU 26 -9.612 40.875 12.541
214 HD23 LEU 26 HD23 LEU 26 -8.583 39.441 12.688
215 H AIB 27 H ALA 27 -10.673 42.426 7.404
216 HB11 AIB 27 H21 ALA 27 -8.540 45.796 6.459
217 HB12 AIB 27 H22 ALA 27 -8.557 45.350 8.178
218 HB13 AIB 27 H23 ALA 27 -8.047 44.155 6.964
219 HB21 AIB 27 H31 ALA 27 -10.327 44.958 4.859
220 HB22 AIB 27 H32 ALA 27 -9.739 43.307 5.204
221 HB23 AIB 27 H33 ALA 27 -11.467 43.696 5.401
222 H ALA 28 H ALA 28 -12.713 44.149 7.700
223 HA ALA 28 HA ALA 28 -13.576 46.867 7.326
224 HB1 ALA 28 H21 ALA 28 -14.837 44.619 9.002
225 HB2 ALA 28 H22 ALA 28 -15.664 46.107 8.462
226 HB3 ALA 28 H23 ALA 28 -15.125 44.897 7.264
227 H GLY 29 H GLY 29 -11.526 45.669 9.901
228 HA2 GLY 29 HA2 GLY 29 -11.179 47.588 11.575
229 HA3 GLY 29 HA3 GLY 29 -12.909 47.365 11.938
230 H GLY 30 H GLY 30 -12.684 44.269 11.431
231 HA2 GLY 30 HA2 GLY 30 -12.291 42.460 12.833
232 HA3 GLY 30 HA3 GLY 30 -10.876 43.361 13.414
233 HA PRO 31 HA PRO 31 -13.881 43.424 17.019
234 HB2 PRO 31 HB2 PRO 31 -11.396 44.980 17.981
235 HB3 PRO 31 HB3 PRO 31 -12.445 43.897 18.936
236 HG2 PRO 31 HG2 PRO 31 -10.122 42.838 17.988
237 HG3 PRO 31 HG3 PRO 31 -11.640 41.960 17.664
238 HD2 PRO 31 HD2 PRO 31 -10.204 43.908 15.750
239 HD3 PRO 31 HD3 PRO 31 -10.744 42.215 15.434
240 H SER 32 H SER 32 -12.118 46.200 15.402
241 HA SER 32 HA SER 32 -13.818 48.181 16.657
242 HB2 SER 32 HB2 SER 32 -12.037 48.426 14.171
243 HB3 SER 32 HB3 SER 32 -12.760 49.771 15.100
244 HG SER 32 HG SER 32 -10.550 49.280 15.819
245 H SER 33 H SER 33 -14.308 46.048 13.812
246 HA SER 33 HA SER 33 -15.609 47.829 12.126
247 HB2 SER 33 HB2 SER 33 -16.866 45.885 11.194
248 HB3 SER 33 HB3 SER 33 -15.144 45.495 11.451
249 HG SER 33 HG SER 33 -16.632 43.849 12.357
250 H GLY 34 H GLY 34 -16.983 46.010 14.959
251 HA2 GLY 34 HA2 GLY 34 -18.911 46.882 16.144
252 HA3 GLY 34 HA3 GLY 34 -19.563 47.542 14.637
253 H ALA 35 H ALA 35 -18.997 45.251 12.854
254 HA ALA 35 HA ALA 35 -21.302 43.662 13.540
255 HB1 ALA 35 HB1 ALA 35 -20.734 42.320 11.545
256 HB2 ALA 35 HB2 ALA 35 -20.678 44.066 11.186
257 HB3 ALA 35 HB3 ALA 35 -19.160 43.150 11.407
258 HA PRO 36 HA PRO 36 -18.755 40.918 16.264
259 HB2 PRO 36 HB2 PRO 36 -20.879 38.949 15.178
260 HB3 PRO 36 HB3 PRO 36 -20.244 38.992 16.844
261 HG2 PRO 36 HG2 PRO 36 -22.626 40.144 16.389
262 HG3 PRO 36 HG3 PRO 36 -21.392 41.099 17.263
263 HD2 PRO 36 HD2 PRO 36 -22.145 41.340 14.293
264 HD3 PRO 36 HD3 PRO 36 -21.879 42.629 15.522
265 HA PRO 37 HA PRO 37 -16.370 38.815 13.088
266 HB2 PRO 37 HB2 PRO 37 -15.194 36.626 14.430
267 HB3 PRO 37 HB3 PRO 37 -14.736 38.321 14.755
268 HG2 PRO 37 HG2 PRO 37 -16.810 36.656 16.235
269 HG3 PRO 37 HG3 PRO 37 -15.408 37.503 16.950
270 HD2 PRO 37 HD2 PRO 37 -17.881 38.674 16.977
271 HD3 PRO 37 HD3 PRO 37 -16.472 39.702 16.525
272 HA PRO 38 HA PRO 38 -19.188 35.605 11.625
273 HB2 PRO 38 HB2 PRO 38 -17.657 34.298 9.746
274 HB3 PRO 38 HB3 PRO 38 -18.009 36.041 9.582
275 HG2 PRO 38 HG2 PRO 38 -15.494 34.873 10.916
276 HG3 PRO 38 HG3 PRO 38 -15.538 35.905 9.456
277 HD2 PRO 38 HD2 PRO 38 -15.219 37.008 11.946
278 HD3 PRO 38 HD3 PRO 38 -16.374 37.793 10.821
279 H SER 39 H SER 39 -18.993 34.792 14.048
280 HA SER 39 HA SER 39 -17.973 32.017 14.050
281 HB2 SER 39 HB2 SER 39 -16.773 34.156 15.918
282 HB3 SER 39 HB3 SER 39 -16.487 32.398 15.995
283 HG SER 39 HG SER 39 -15.655 34.086 13.834
284 HN1 NH2 40 H11 SER 39 -21.079 32.163 15.907
285 HN2 NH2 40 H12 SER 39 -20.502 32.054 14.287
286 H93 EVT 101 H93 XXX 40 -25.894 17.438 6.168
287 H92 EVT 101 H92 XXX 40 -24.792 16.244 5.448
288 H103 EVT 101 H103 XXX 40 -25.395 14.611 7.281
289 H102 EVT 101 H102 XXX 40 -26.511 15.817 7.964
290 H11 EVT 101 H11 XXX 40 -27.892 15.766 5.893
291 H122 EVT 101 H122 XXX 40 -30.031 12.303 7.392
292 H123 EVT 101 H123 XXX 40 -28.680 12.114 8.529
293 H133 EVT 101 H133 XXX 40 -29.879 13.602 10.187
294 H132 EVT 101 H132 XXX 40 -30.738 12.097 9.802
295 H143 EVT 101 H143 XXX 40 -32.187 13.383 8.152
296 H142 EVT 101 H142 XXX 40 -31.457 14.893 8.740
297 H153 EVT 101 H153 XXX 40 -32.223 14.289 11.099
298 H152 EVT 101 H152 XXX 40 -33.010 12.836 10.437
299 H6 EVT 101 H6 XXX 40 -24.710 18.983 7.480
300 H163 EVT 101 H163 XXX 40 -34.424 14.317 8.953
301 H162 EVT 101 H162 XXX 40 -33.689 15.753 9.713
302 H173 EVT 101 H173 XXX 40 -34.569 15.020 11.946
303 H172 EVT 101 H172 XXX 40 -35.300 13.584 11.188
304 H183 EVT 101 H183 XXX 40 -36.714 15.016 9.730
305 H182 EVT 101 H182 XXX 40 -36.040 16.489 10.464
306 H193 EVT 101 H193 XXX 40 -37.486 14.343 12.119
307 H192 EVT 101 H192 XXX 40 -38.366 15.667 11.323
308 H203 EVT 101 H203 XXX 40 -37.112 17.367 12.594
309 H202 EVT 101 H202 XXX 40 -36.120 16.121 13.380
310 H213 EVT 101 H213 XXX 40 -38.106 15.138 14.484
311 H212 EVT 101 H212 XXX 40 -39.181 16.286 13.642
312 H223 EVT 101 H223 XXX 40 -38.041 18.194 14.825
313 H222 EVT 101 H222 XXX 40 -36.979 17.028 15.660
314 H25 EVT 101 H25 XXX 40 -27.595 12.892 6.411
315 H293 EVT 101 H293 XXX 40 -38.974 16.006 16.794
316 H292 EVT 101 H292 XXX 40 -40.054 17.048 15.854
317 H303 EVT 101 H303 XXX 40 -39.861 17.926 18.110
318 H302 EVT 101 H302 XXX 40 -39.124 19.083 16.969
319 H313 EVT 101 H313 XXX 40 -36.842 18.353 17.664
320 H312 EVT 101 H312 XXX 40 -37.541 17.059 18.667
321 H321 EVT 101 H321 XXX 40 -37.977 20.093 19.105
322 H323 EVT 101 H323 XXX 40 -36.882 19.059 20.063
323 H322 EVT 101 H322 XXX 40 -38.642 18.799 20.134
324 H353 EVT 101 H353 XXX 40 -20.799 20.781 8.845
325 H352 EVT 101 H352 XXX 40 -20.024 19.285 8.275
326 H363 EVT 101 H363 XXX 40 -21.781 18.966 6.566
327 H362 EVT 101 H362 XXX 40 -22.588 20.478 7.063
328 H37 EVT 101 H37 XXX 40 -22.224 17.997 8.854
Start of MODEL 10
1 H1 HIS 1 H1 HIS 1 -11.416 6.462 4.899
2 H2 HIS 1 H2 HIS 1 -11.770 5.232 6.057
3 H3 HIS 1 H3 HIS 1 -12.752 5.420 4.653
4 HA HIS 1 HA HIS 1 -13.884 6.381 6.695
5 HB2 HIS 1 HB2 HIS 1 -11.470 8.278 6.665
6 HB3 HIS 1 HB3 HIS 1 -12.930 8.477 7.658
7 HD1 HIS 1 HD1 HIS 1 -10.255 8.317 8.947
8 HD2 HIS 1 HD2 HIS 1 -12.725 4.979 8.307
9 HE1 HIS 1 HE1 HIS 1 -9.584 6.601 10.688
10 H AIB 2 H AIB 2 -15.073 6.349 4.539
11 HB11 AIB 2 H31 AIB 2 -17.444 7.177 3.789
12 HB12 AIB 2 H32 AIB 2 -17.338 7.962 2.191
13 HB13 AIB 2 H33 AIB 2 -16.531 6.395 2.481
14 HB21 AIB 2 H21 AIB 2 -14.194 7.186 1.859
15 HB22 AIB 2 H22 AIB 2 -15.056 8.651 1.299
16 HB23 AIB 2 H23 AIB 2 -13.668 8.794 2.411
17 H GLN 3 H GLN 3 -16.825 8.729 5.552
18 HA GLN 3 HA GLN 3 -17.483 11.419 4.920
19 HB2 GLN 3 H42 GLN 3 -18.610 10.299 6.728
20 HB3 GLN 3 H43 GLN 3 -17.099 10.078 7.638
21 HG2 GLN 3 H32 GLN 3 -16.886 12.522 8.007
22 HG3 GLN 3 H33 GLN 3 -18.209 12.860 6.876
23 HE21 GLN 3 H61 GLN 3 -19.241 11.208 10.547
24 HE22 GLN 3 H62 GLN 3 -17.725 10.756 9.880
25 H GLY 4 H GLY 4 -14.737 10.023 6.959
26 HA2 GLY 4 HA2 GLY 4 -13.424 12.221 7.766
27 HA3 GLY 4 HA3 GLY 4 -12.529 10.837 7.118
28 H THR 5 H THR 5 -12.826 10.739 4.469
29 HA THR 5 HA THR 5 -11.021 12.738 3.622
30 HB THR 5 HB THR 5 -12.973 11.089 1.922
31 HG1 THR 5 HG1 THR 5 -10.228 10.617 2.584
32 HG21 THR 5 HG21 THR 5 -10.532 12.776 1.098
33 HG22 THR 5 HG22 THR 5 -11.348 11.561 0.070
34 HG23 THR 5 HG23 THR 5 -12.229 13.023 0.589
35 H PHE 6 H PHE 6 -14.651 12.512 3.164
36 HA PHE 6 HA PHE 6 -14.648 15.047 1.774
37 HB2 PHE 6 HB2 PHE 6 -16.893 13.259 2.773
38 HB3 PHE 6 HB3 PHE 6 -17.230 14.954 2.404
39 HD1 PHE 6 HD1 PHE 6 -17.549 15.692 0.194
40 HD2 PHE 6 HD2 PHE 6 -15.568 11.928 0.877
41 HE1 PHE 6 HE1 PHE 6 -17.491 15.289 -2.231
42 HE2 PHE 6 HE2 PHE 6 -15.541 11.521 -1.574
43 HZ PHE 6 HZ PHE 6 -16.482 13.207 -3.124
44 H THR 7 H THR 7 -16.188 14.344 5.097
45 HA THR 7 HA THR 7 -16.653 16.939 5.652
46 HB THR 7 HB THR 7 -17.195 15.044 7.191
47 HG1 THR 7 HG1 THR 7 -17.112 16.509 9.008
48 HG21 THR 7 HG21 THR 7 -15.607 14.428 8.948
49 HG22 THR 7 HG22 THR 7 -14.821 14.110 7.382
50 HG23 THR 7 HG23 THR 7 -14.379 15.557 8.328
51 H SER 8 H SER 8 -13.327 15.457 5.832
52 HA SER 8 HA SER 8 -12.214 17.786 7.102
53 HB2 SER 8 HB2 SER 8 -10.028 16.955 6.600
54 HB3 SER 8 HB3 SER 8 -11.050 15.627 7.203
55 HG SER 8 HG SER 8 -11.216 14.959 4.922
56 H ASP 9 H ASP 9 -12.417 16.711 3.586
57 HA ASP 9 HA ASP 9 -11.074 19.117 2.653
58 HB2 ASP 9 HB2 ASP 9 -11.150 17.028 1.294
59 HB3 ASP 9 HB3 ASP 9 -12.923 17.160 1.175
60 H LEU 10 H LEU 10 -14.553 18.169 3.131
61 HA LEU 10 HA LEU 10 -15.636 20.533 1.945
62 HB2 LEU 10 HB2 LEU 10 -16.691 18.875 4.300
63 HB3 LEU 10 HB3 LEU 10 -17.621 20.125 3.459
64 HG LEU 10 HG LEU 10 -16.586 17.563 2.069
65 HD11 LEU 10 HD11 LEU 10 -18.211 16.926 3.826
66 HD12 LEU 10 HD12 LEU 10 -19.352 18.155 3.231
67 HD13 LEU 10 HD13 LEU 10 -18.967 16.734 2.229
68 HD21 LEU 10 HD21 LEU 10 -18.278 18.175 0.306
69 HD22 LEU 10 HD22 LEU 10 -18.672 19.654 1.218
70 HD23 LEU 10 HD23 LEU 10 -17.065 19.452 0.474
71 H SER 11 H SER 11 -14.337 19.781 5.286
72 HA SER 11 HA SER 11 -15.014 22.415 6.237
73 HB2 SER 11 HB2 SER 11 -13.346 22.037 8.052
74 HB3 SER 11 HB3 SER 11 -14.616 20.807 7.967
75 HG SER 11 HG SER 11 -12.007 20.417 6.889
76 H LYS 12 H LYS 12 -12.075 21.004 4.498
77 HA LYS 12 HA LYS 12 -10.473 23.318 4.849
78 HB2 LYS 12 HB2 LYS 12 -9.775 21.124 3.836
79 HB3 LYS 12 HB3 LYS 12 -10.667 21.504 2.356
80 HG2 LYS 12 HG2 LYS 12 -8.330 23.126 3.517
81 HG3 LYS 12 HG3 LYS 12 -8.205 21.877 2.253
82 HD2 LYS 12 HD2 LYS 12 -9.566 24.614 1.963
83 HD3 LYS 12 HD3 LYS 12 -8.065 24.043 1.224
84 HE2 LYS 12 HE2 LYS 12 -9.417 22.272 -0.027
85 HE3 LYS 12 HE3 LYS 12 -10.902 23.041 0.598
86 HZ1 LYS 12 HZ1 LYS 12 -8.807 24.371 -1.136
87 HZ2 LYS 12 HZ2 LYS 12 -10.401 23.873 -1.621
88 HZ3 LYS 12 HZ3 LYS 12 -10.201 25.163 -0.456
89 H GLN 13 H GLN 13 -13.090 22.554 2.379
90 HA GLN 13 HA GLN 13 -12.755 25.098 1.111
91 HB2 GLN 13 HB2 GLN 13 -15.266 23.322 1.196
92 HB3 GLN 13 HB3 GLN 13 -15.043 24.767 0.182
93 HG2 GLN 13 HG2 GLN 13 -12.942 23.602 -0.810
94 HG3 GLN 13 HG3 GLN 13 -13.545 22.107 -0.058
95 HE21 GLN 13 HE21 GLN 13 -16.503 21.961 -2.212
96 HE22 GLN 13 HE22 GLN 13 -15.976 21.560 -0.622
97 H LYS 14 H LYS 14 -15.079 24.019 3.777
98 HA LYS 14 HA LYS 14 -16.308 26.620 3.858
99 HB2 LYS 14 HB2 LYS 14 -16.108 24.435 5.977
100 HB3 LYS 14 HB3 LYS 14 -16.906 25.994 6.289
101 HG2 LYS 14 HG2 LYS 14 -18.529 25.646 4.567
102 HG3 LYS 14 HG3 LYS 14 -17.729 24.198 3.926
103 HD2 LYS 14 HD2 LYS 14 -18.630 24.192 6.826
104 HD3 LYS 14 HD3 LYS 14 -19.854 23.970 5.558
105 HE2 LYS 14 HE2 LYS 14 -18.759 21.992 4.666
106 HE3 LYS 14 HE3 LYS 14 -17.351 22.190 5.717
107 HZ1 LYS 14 HZ1 LYS 14 -19.192 22.032 7.603
108 H ASP 15 H ASP 15 -13.789 25.205 6.154
109 HA ASP 15 HA ASP 15 -12.977 27.467 7.401
110 HB2 ASP 15 H32 ASP 15 -11.185 25.278 6.232
111 HB3 ASP 15 H33 ASP 15 -10.627 26.513 7.362
112 H GLU 16 H GLU 16 -12.157 26.691 3.926
113 HA GLU 16 HA GLU 16 -10.279 28.840 3.691
114 HB2 GLU 16 HB2 GLU 16 -10.538 26.998 1.998
115 HB3 GLU 16 HB3 GLU 16 -12.090 27.683 1.470
116 HG2 GLU 16 HG2 GLU 16 -10.948 29.812 0.803
117 HG3 GLU 16 HG3 GLU 16 -9.394 29.113 1.330
118 H GLN 17 H GLN 17 -13.838 28.609 2.995
119 HA GLN 17 HA GLN 17 -14.123 31.389 2.396
120 HB2 GLN 17 H42 GLN 17 -15.780 29.649 1.760
121 HB3 GLN 17 H43 GLN 17 -16.147 29.342 3.468
122 HG2 GLN 17 H32 GLN 17 -17.943 30.677 2.570
123 HG3 GLN 17 H33 GLN 17 -17.020 31.751 3.639
124 HE21 GLN 17 H61 GLN 17 -15.859 33.804 0.865
125 HE22 GLN 17 H62 GLN 17 -15.491 33.368 2.486
126 H ARG 18 H ARG 18 -14.237 29.551 5.555
127 HA ARG 18 HA ARG 18 -15.347 31.739 7.015
128 HB2 ARG 18 H42 ARG 18 -13.490 29.580 8.129
129 HB3 ARG 18 H43 ARG 18 -14.470 30.722 9.052
130 HG2 ARG 18 H33 ARG 18 -16.585 29.669 8.024
131 HG3 ARG 18 H32 ARG 18 -15.551 28.423 7.280
132 HD2 ARG 18 H52 ARG 18 -14.702 27.865 9.669
133 HD3 ARG 18 H53 ARG 18 -15.822 29.062 10.246
134 HE ARG 18 H10 ARG 18 -17.645 27.719 9.999
135 HH11 ARG 18 H71 ARG 18 -18.567 25.668 9.923
136 HH12 ARG 18 H72 ARG 18 -17.731 24.353 9.184
137 HH21 ARG 18 H81 ARG 18 -14.899 26.189 8.314
138 HH22 ARG 18 H82 ARG 18 -15.645 24.611 8.343
139 H ALA 19 H ALA 19 -11.909 30.704 6.321
140 HA ALA 19 HA ALA 19 -10.704 32.709 7.959
141 HB1 ALA 19 H21 ALA 19 -9.628 31.442 5.373
142 HB2 ALA 19 H22 ALA 19 -8.693 32.466 6.506
143 HB3 ALA 19 H23 ALA 19 -9.304 30.880 7.032
144 H LYS 20 H LYS 20 -11.623 32.658 4.402
145 HA LYS 20 HA LYS 20 -10.724 35.287 3.868
146 HB2 LYS 20 H42 LYS 20 -13.035 33.676 2.684
147 HB3 LYS 20 H43 LYS 20 -12.581 35.284 2.069
148 HG2 LYS 20 H23 LYS 20 -10.383 34.575 1.381
149 HG3 LYS 20 H22 LYS 20 -10.487 33.052 2.268
150 HD2 LYS 20 H33 LYS 20 -10.788 32.728 -0.184
151 HD3 LYS 20 H32 LYS 20 -12.155 32.128 0.789
152 HE2 LYS 20 H53 LYS 20 -12.991 33.220 -1.262
153 HE3 LYS 20 H52 LYS 20 -13.522 34.117 0.166
154 HZ1 LYS 20 H71 LYS 20 -12.740 35.580 -1.647
155 HZ2 LYS 20 H72 LYS 20 -11.757 35.765 -0.209
156 HZ3 LYS 20 H73 LYS 20 -11.149 34.830 -1.569
157 H LEU 21 H LEU 21 -14.012 34.151 5.064
158 HA LEU 21 HA LEU 21 -15.159 36.768 5.112
159 HB2 LEU 21 HB2 LEU 21 -15.628 34.319 6.914
160 HB3 LEU 21 HB3 LEU 21 -16.568 35.806 7.095
161 HG LEU 21 HG LEU 21 -16.494 34.303 4.436
162 HD11 LEU 21 HD11 LEU 21 -18.702 33.263 5.138
163 HD12 LEU 21 HD12 LEU 21 -17.342 32.692 6.114
164 HD13 LEU 21 HD13 LEU 21 -18.458 33.920 6.777
165 HD21 LEU 21 HD21 LEU 21 -18.686 35.515 4.061
166 HD22 LEU 21 HD22 LEU 21 -18.504 36.313 5.642
167 HD23 LEU 21 HD23 LEU 21 -17.357 36.659 4.323
168 H PHE 22 H PHE 22 -13.101 34.977 7.509
169 HA PHE 22 HA PHE 22 -13.352 36.952 9.519
170 HB2 PHE 22 HB2 PHE 22 -12.339 34.610 9.778
171 HB3 PHE 22 HB3 PHE 22 -10.853 35.229 9.063
172 HD1 PHE 22 HD1 PHE 22 -13.394 35.768 11.786
173 HD2 PHE 22 HD2 PHE 22 -9.375 36.598 10.507
174 HE1 PHE 22 HE1 PHE 22 -12.815 36.473 14.079
175 HE2 PHE 22 HE2 PHE 22 -8.754 37.157 12.844
176 HZ PHE 22 HZ PHE 22 -10.463 37.070 14.637
177 H ILE 23 H ILE 23 -10.979 36.595 6.751
178 HA ILE 23 HA ILE 23 -9.480 38.944 7.493
179 HB ILE 23 HB ILE 23 -9.615 37.287 4.970
180 HG12 ILE 23 HG12 ILE 23 -7.110 37.241 5.332
181 HG13 ILE 23 HG13 ILE 23 -7.263 38.374 6.692
182 HG21 ILE 23 HG21 ILE 23 -8.377 40.081 5.047
183 HG22 ILE 23 HG22 ILE 23 -8.147 38.856 3.764
184 HG23 ILE 23 HG23 ILE 23 -9.758 39.546 4.043
185 HD11 ILE 23 HD11 ILE 23 -8.434 35.550 6.599
186 HD12 ILE 23 HD12 ILE 23 -6.942 36.081 7.437
187 HD13 ILE 23 HD13 ILE 23 -8.534 36.652 8.009
188 H GLU 24 H GLU 24 -12.501 38.502 5.462
189 HA GLU 24 HA GLU 24 -12.511 41.234 4.588
190 HB2 GLU 24 HB2 GLU 24 -14.954 39.472 5.155
191 HB3 GLU 24 HB3 GLU 24 -14.936 41.019 4.283
192 HG2 GLU 24 HG2 GLU 24 -13.262 39.902 2.610
193 HG3 GLU 24 HG3 GLU 24 -13.717 38.353 3.350
194 H TRP 25 H TRP 25 -13.734 39.554 7.552
195 HA TRP 25 HA TRP 25 -14.989 41.894 8.687
196 HB2 TRP 25 HB2 TRP 25 -15.535 39.629 9.382
197 HB3 TRP 25 HB3 TRP 25 -13.868 39.321 9.921
198 HD1 TRP 25 HD1 TRP 25 -16.864 41.586 10.953
199 HE1 TRP 25 HE1 TRP 25 -16.693 41.987 13.440
200 HE3 TRP 25 HE3 TRP 25 -12.328 39.247 11.890
201 HZ2 TRP 25 HZ2 TRP 25 -14.968 41.535 15.513
202 HZ3 TRP 25 HZ3 TRP 25 -11.484 39.325 14.247
203 HH2 TRP 25 HH2 TRP 25 -12.806 40.399 16.034
204 H LEU 26 H LEU 26 -11.600 40.511 9.025
205 HA LEU 26 HA LEU 26 -10.786 42.519 10.916
206 HB2 LEU 26 HB2 LEU 26 -9.124 41.069 8.776
207 HB3 LEU 26 HB3 LEU 26 -8.441 42.139 10.016
208 HG LEU 26 HG LEU 26 -9.982 39.513 10.599
209 HD11 LEU 26 HD11 LEU 26 -7.852 39.076 9.407
210 HD12 LEU 26 HD12 LEU 26 -6.953 40.096 10.568
211 HD13 LEU 26 HD13 LEU 26 -7.662 38.550 11.091
212 HD21 LEU 26 HD21 LEU 26 -8.380 41.353 12.445
213 HD22 LEU 26 HD22 LEU 26 -10.133 41.009 12.556
214 HD23 LEU 26 HD23 LEU 26 -8.962 39.715 12.871
215 H AIB 27 H ALA 27 -10.776 42.402 7.293
216 HB11 AIB 27 H21 ALA 27 -8.219 44.225 6.821
217 HB12 AIB 27 H22 ALA 27 -8.791 45.801 6.183
218 HB13 AIB 27 H23 ALA 27 -8.839 45.478 7.933
219 HB21 AIB 27 H31 ALA 27 -10.456 44.824 4.609
220 HB22 AIB 27 H32 ALA 27 -9.845 43.207 5.047
221 HB23 AIB 27 H33 ALA 27 -11.587 43.573 5.174
222 H ALA 28 H ALA 28 -12.914 44.050 7.374
223 HA ALA 28 HA ALA 28 -13.910 46.710 6.964
224 HB1 ALA 28 H21 ALA 28 -14.953 44.516 8.864
225 HB2 ALA 28 H22 ALA 28 -15.869 45.946 8.330
226 HB3 ALA 28 H23 ALA 28 -15.408 44.695 7.145
227 H GLY 29 H GLY 29 -12.178 45.160 9.703
228 HA2 GLY 29 HA2 GLY 29 -11.311 47.326 11.025
229 HA3 GLY 29 HA3 GLY 29 -13.000 47.285 11.593
230 H GLY 30 H GLY 30 -12.978 44.098 11.500
231 HA2 GLY 30 HA2 GLY 30 -12.294 42.420 12.958
232 HA3 GLY 30 HA3 GLY 30 -10.958 43.470 13.492
233 HA PRO 31 HA PRO 31 -14.117 43.500 17.002
234 HB2 PRO 31 HB2 PRO 31 -11.648 45.041 18.017
235 HB3 PRO 31 HB3 PRO 31 -12.768 44.020 18.959
236 HG2 PRO 31 HG2 PRO 31 -10.453 42.877 18.153
237 HG3 PRO 31 HG3 PRO 31 -11.973 42.005 17.788
238 HD2 PRO 31 HD2 PRO 31 -10.389 43.825 15.872
239 HD3 PRO 31 HD3 PRO 31 -10.994 42.152 15.563
240 H SER 32 H SER 32 -12.192 46.181 15.392
241 HA SER 32 HA SER 32 -13.755 48.308 16.513
242 HB2 SER 32 HB2 SER 32 -12.175 48.272 13.893
243 HB3 SER 32 HB3 SER 32 -12.658 49.711 14.828
244 HG SER 32 HG SER 32 -11.244 48.833 16.557
245 H SER 33 H SER 33 -14.324 46.148 13.615
246 HA SER 33 HA SER 33 -15.875 48.028 12.207
247 HB2 SER 33 HB2 SER 33 -16.838 46.129 10.941
248 HB3 SER 33 HB3 SER 33 -15.071 45.998 11.134
249 HG SER 33 HG SER 33 -16.155 43.976 11.612
250 H GLY 34 H GLY 34 -16.857 46.404 15.223
251 HA2 GLY 34 HA2 GLY 34 -18.937 46.608 16.312
252 HA3 GLY 34 HA3 GLY 34 -19.358 47.839 15.095
253 H ALA 35 H ALA 35 -18.433 44.304 14.983
254 HA ALA 35 HA ALA 35 -21.168 43.565 14.121
255 HB1 ALA 35 HB1 ALA 35 -18.718 43.363 12.267
256 HB2 ALA 35 HB2 ALA 35 -20.308 42.607 11.960
257 HB3 ALA 35 HB3 ALA 35 -20.164 44.386 12.024
258 HA PRO 36 HA PRO 36 -19.217 40.287 16.732
259 HB2 PRO 36 HB2 PRO 36 -21.509 38.801 15.318
260 HB3 PRO 36 HB3 PRO 36 -20.937 38.501 16.975
261 HG2 PRO 36 HG2 PRO 36 -23.105 40.097 16.640
262 HG3 PRO 36 HG3 PRO 36 -21.781 40.732 17.654
263 HD2 PRO 36 HD2 PRO 36 -22.373 41.436 14.726
264 HD3 PRO 36 HD3 PRO 36 -21.928 42.518 16.084
265 HA PRO 37 HA PRO 37 -16.762 38.896 13.328
266 HB2 PRO 37 HB2 PRO 37 -15.406 36.615 14.331
267 HB3 PRO 37 HB3 PRO 37 -15.067 38.298 14.835
268 HG2 PRO 37 HG2 PRO 37 -16.964 36.329 16.174
269 HG3 PRO 37 HG3 PRO 37 -15.598 37.214 16.943
270 HD2 PRO 37 HD2 PRO 37 -18.163 38.159 17.147
271 HD3 PRO 37 HD3 PRO 37 -16.845 39.344 16.762
272 HA PRO 38 HA PRO 38 -19.537 36.367 11.146
273 HB2 PRO 38 HB2 PRO 38 -18.083 35.319 9.035
274 HB3 PRO 38 HB3 PRO 38 -18.321 37.076 9.280
275 HG2 PRO 38 HG2 PRO 38 -15.891 35.476 10.191
276 HG3 PRO 38 HG3 PRO 38 -15.895 36.938 9.161
277 HD2 PRO 38 HD2 PRO 38 -15.490 37.195 11.845
278 HD3 PRO 38 HD3 PRO 38 -16.625 38.343 11.027
279 H SER 39 H SER 39 -19.975 34.922 13.019
280 HA SER 39 HA SER 39 -19.462 32.096 12.360
281 HB2 SER 39 HB2 SER 39 -18.380 31.681 14.600
282 HB3 SER 39 HB3 SER 39 -17.353 32.457 13.377
283 HG SER 39 HG SER 39 -17.810 34.514 14.512
284 HN1 NH2 40 H11 SER 39 -21.909 31.429 15.003
285 HN2 NH2 40 H12 SER 39 -20.570 30.694 14.202
286 H93 EVT 101 H93 XXX 40 -25.690 17.499 11.078
287 H92 EVT 101 H92 XXX 40 -25.816 18.794 9.875
288 H103 EVT 101 H103 XXX 40 -26.012 17.146 8.028
289 H102 EVT 101 H102 XXX 40 -25.686 15.799 9.140
290 H11 EVT 101 H11 XXX 40 -27.692 16.312 10.454
291 H122 EVT 101 H122 XXX 40 -30.026 14.282 7.116
292 H123 EVT 101 H123 XXX 40 -29.378 12.984 8.148
293 H133 EVT 101 H133 XXX 40 -31.408 13.131 9.616
294 H132 EVT 101 H132 XXX 40 -31.870 12.760 7.947
295 H143 EVT 101 H143 XXX 40 -32.565 15.069 7.525
296 H142 EVT 101 H142 XXX 40 -31.873 15.624 9.064
297 H153 EVT 101 H153 XXX 40 -33.499 14.197 10.333
298 H152 EVT 101 H152 XXX 40 -34.233 13.673 8.795
299 H6 EVT 101 H6 XXX 40 -23.819 19.272 8.552
300 H163 EVT 101 H163 XXX 40 -34.877 16.053 8.303
301 H162 EVT 101 H162 XXX 40 -34.050 16.584 9.796
302 H173 EVT 101 H173 XXX 40 -35.648 15.170 11.143
303 H172 EVT 101 H172 XXX 40 -36.515 14.753 9.633
304 H183 EVT 101 H183 XXX 40 -36.975 17.195 9.233
305 H182 EVT 101 H182 XXX 40 -36.099 17.614 10.723
306 H193 EVT 101 H193 XXX 40 -38.707 15.976 10.579
307 H192 EVT 101 H192 XXX 40 -38.530 17.674 11.053
308 H203 EVT 101 H203 XXX 40 -36.893 16.779 12.918
309 H202 EVT 101 H202 XXX 40 -37.585 15.175 12.580
310 H213 EVT 101 H213 XXX 40 -39.901 16.127 13.083
311 H212 EVT 101 H212 XXX 40 -39.129 17.700 13.413
312 H223 EVT 101 H223 XXX 40 -37.766 16.618 15.256
313 H222 EVT 101 H222 XXX 40 -38.640 15.091 14.965
314 H25 EVT 101 H25 XXX 40 -28.082 15.657 7.586
315 H293 EVT 101 H293 XXX 40 -40.806 16.209 15.573
316 H292 EVT 101 H292 XXX 40 -39.959 17.765 15.736
317 H303 EVT 101 H303 XXX 40 -40.254 17.017 17.985
318 H302 EVT 101 H302 XXX 40 -38.537 16.747 17.603
319 H313 EVT 101 H313 XXX 40 -39.109 14.292 17.149
320 H312 EVT 101 H312 XXX 40 -40.782 14.632 17.637
321 H321 EVT 101 H321 XXX 40 -38.270 14.930 19.409
322 H323 EVT 101 H323 XXX 40 -39.507 13.650 19.518
323 H322 EVT 101 H322 XXX 40 -39.927 15.335 19.936
324 H353 EVT 101 H353 XXX 40 -19.320 19.871 8.744
325 H352 EVT 101 H352 XXX 40 -19.426 18.417 7.742
326 H363 EVT 101 H363 XXX 40 -21.737 19.185 6.951
327 H362 EVT 101 H362 XXX 40 -21.598 20.565 8.067
328 H37 EVT 101 H37 XXX 40 -21.497 17.577 8.828
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