NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
5031 |
1g9p   |
4923 | cing | recoord | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LEU 1 1HT LEU 1 3.628 -0.841 -16.324
2 2H LEU 1 2HT LEU 1 3.423 0.795 -15.918
3 3H LEU 1 3HT LEU 1 2.387 0.061 -17.046
4 HA LEU 1 HA LEU 1 1.193 0.234 -15.016
5 1HB LEU 1 2HB LEU 1 1.135 -1.943 -16.370
6 2HB LEU 1 1HB LEU 1 2.216 -2.609 -15.146
7 HG LEU 1 HG LEU 1 0.499 -1.822 -13.415
8 1HD1 LEU 1 1HD1 LEU 1 -0.927 -1.281 -15.997
9 2HD1 LEU 1 2HD1 LEU 1 -0.926 -0.343 -14.505
10 3HD1 LEU 1 3HD1 LEU 1 -1.862 -1.833 -14.607
11 1HD2 LEU 1 1HD2 LEU 1 -1.016 -3.790 -13.920
12 2HD2 LEU 1 2HD2 LEU 1 0.705 -4.173 -13.927
13 3HD2 LEU 1 3HD2 LEU 1 -0.159 -3.971 -15.451
14 H LEU 2 H LEU 2 1.243 0.361 -12.782
15 HA LEU 2 HA LEU 2 3.421 -0.857 -11.244
16 1HB LEU 2 2HB LEU 2 4.239 1.409 -12.246
17 2HB LEU 2 1HB LEU 2 3.175 2.138 -11.043
18 HG LEU 2 HG LEU 2 5.120 -0.002 -10.220
19 1HD1 LEU 2 1HD1 LEU 2 5.708 2.950 -10.584
20 2HD1 LEU 2 2HD1 LEU 2 6.503 1.609 -11.408
21 3HD1 LEU 2 3HD1 LEU 2 6.732 1.838 -9.675
22 1HD2 LEU 2 1HD2 LEU 2 3.455 2.127 -8.962
23 2HD2 LEU 2 2HD2 LEU 2 5.010 1.780 -8.208
24 3HD2 LEU 2 3HD2 LEU 2 3.812 0.498 -8.391
25 H ALA 3 H ALA 3 1.615 -1.855 -10.182
26 HA ALA 3 HA ALA 3 0.413 -0.139 -8.096
27 1HB ALA 3 1HB ALA 3 -1.382 -1.958 -9.703
28 2HB ALA 3 2HB ALA 3 -1.130 -0.277 -10.173
29 3HB ALA 3 3HB ALA 3 -1.840 -0.657 -8.604
30 H CYS 4 H CYS 4 2.329 -1.831 -7.461
31 HA CYS 4 HA CYS 4 1.147 -3.705 -5.673
32 1HB CYS 4 2HB CYS 4 0.706 -4.953 -7.790
33 2HB CYS 4 1HB CYS 4 2.433 -4.943 -8.129
34 H LEU 5 H LEU 5 2.626 -2.854 -4.221
35 HA LEU 5 HA LEU 5 5.455 -2.591 -4.814
36 1HB LEU 5 2HB LEU 5 4.147 -2.662 -2.082
37 2HB LEU 5 1HB LEU 5 5.700 -1.939 -2.502
38 HG LEU 5 HG LEU 5 3.031 -1.038 -3.619
39 1HD1 LEU 5 1HD1 LEU 5 4.612 -0.244 -1.217
40 2HD1 LEU 5 2HD1 LEU 5 2.866 -0.241 -1.463
41 3HD1 LEU 5 3HD1 LEU 5 3.857 1.046 -2.153
42 1HD2 LEU 5 1HD2 LEU 5 4.984 -0.622 -5.087
43 2HD2 LEU 5 2HD2 LEU 5 5.809 0.182 -3.751
44 3HD2 LEU 5 3HD2 LEU 5 4.344 0.887 -4.435
45 H PHE 6 H PHE 6 3.426 -5.076 -3.393
46 HA PHE 6 HA PHE 6 5.811 -6.858 -3.314
47 1HB PHE 6 2HB PHE 6 3.782 -6.518 -1.088
48 2HB PHE 6 1HB PHE 6 4.963 -7.826 -1.160
49 HD1 PHE 6 1HD PHE 6 7.446 -6.822 -1.883
50 HD2 PHE 6 2HD PHE 6 4.383 -4.779 0.329
51 HE1 PHE 6 1HE PHE 6 9.159 -5.330 -0.890
52 HE2 PHE 6 2HE PHE 6 6.096 -3.287 1.323
53 HZ PHE 6 HZ PHE 6 8.484 -3.562 0.714
54 H GLY 7 H GLY 7 2.464 -7.409 -2.252
55 1HA GLY 7 2HA GLY 7 0.760 -8.699 -3.272
56 2HA GLY 7 1HA GLY 7 1.797 -8.896 -4.684
57 H ASN 8 H ASN 8 2.979 -9.621 -1.464
58 HA ASN 8 HA ASN 8 3.364 -12.432 -2.288
59 1HB ASN 8 2HB ASN 8 4.472 -10.661 -0.146
60 2HB ASN 8 1HB ASN 8 4.506 -12.407 0.105
61 1HD2 ASN 8 1HD2 ASN 8 6.610 -13.061 -0.411
62 2HD2 ASN 8 2HD2 ASN 8 7.440 -12.616 -1.823
63 H GLY 9 H GLY 9 0.774 -10.930 -1.068
64 1HA GLY 9 2HA GLY 9 -1.137 -11.892 -0.088
65 2HA GLY 9 1HA GLY 9 -0.195 -13.338 0.246
66 H ARG 10 H ARG 10 1.733 -10.973 1.454
67 HA ARG 10 HA ARG 10 0.330 -10.949 4.092
68 1HB ARG 10 2HB ARG 10 2.605 -11.074 5.136
69 2HB ARG 10 1HB ARG 10 2.178 -12.524 4.226
70 1HG ARG 10 2HG ARG 10 3.416 -11.626 2.272
71 2HG ARG 10 1HG ARG 10 3.905 -10.240 3.237
72 1HD ARG 10 2HD ARG 10 5.102 -11.674 4.792
73 2HD ARG 10 1HD ARG 10 4.503 -13.118 3.975
74 HE ARG 10 HE ARG 10 5.815 -11.739 1.971
75 1HH1 ARG 10 1HH2 ARG 10 6.698 -12.838 5.172
76 2HH1 ARG 10 2HH2 ARG 10 8.364 -13.035 4.754
77 1HH2 ARG 10 1HH1 ARG 10 7.980 -12.008 1.475
78 2HH2 ARG 10 2HH1 ARG 10 9.084 -12.571 2.685
79 H CYS 11 H CYS 11 0.365 -9.003 5.171
80 HA CYS 11 HA CYS 11 2.102 -6.812 4.202
81 1HB CYS 11 2HB CYS 11 0.112 -5.278 4.018
82 2HB CYS 11 1HB CYS 11 0.193 -6.511 2.770
83 H SER 12 H SER 12 1.881 -4.858 5.566
84 HA SER 12 HA SER 12 1.222 -5.596 8.382
85 1HB SER 12 2HB SER 12 2.653 -3.372 8.719
86 2HB SER 12 1HB SER 12 3.439 -4.932 8.495
87 HG SER 12 HG SER 12 4.322 -4.012 6.828
88 H SER 13 H SER 13 0.559 -3.410 5.778
89 HA SER 13 HA SER 13 -1.726 -2.289 7.269
90 1HB SER 13 2HB SER 13 -1.119 0.024 6.576
91 2HB SER 13 1HB SER 13 0.073 -0.663 7.676
92 HG SER 13 HG SER 13 0.480 0.309 5.275
93 H ASN 14 H ASN 14 -2.836 -0.664 5.487
94 HA ASN 14 HA ASN 14 -3.626 -2.385 3.321
95 1HB ASN 14 2HB ASN 14 -4.196 0.429 4.143
96 2HB ASN 14 1HB ASN 14 -4.567 -0.031 2.480
97 1HD2 ASN 14 1HD2 ASN 14 -6.827 -0.325 2.531
98 2HD2 ASN 14 2HD2 ASN 14 -7.627 -1.362 3.611
99 H ARG 15 H ARG 15 -1.362 0.329 3.554
100 HA ARG 15 HA ARG 15 -0.889 0.568 0.726
101 1HB ARG 15 2HB ARG 15 -0.309 2.250 2.585
102 2HB ARG 15 1HB ARG 15 1.125 1.261 2.861
103 1HG ARG 15 2HG ARG 15 1.777 1.543 0.496
104 2HG ARG 15 1HG ARG 15 0.348 2.541 0.223
105 1HD ARG 15 2HD ARG 15 1.151 4.279 1.611
106 2HD ARG 15 1HD ARG 15 2.349 3.231 2.372
107 HE ARG 15 HE ARG 15 2.678 4.661 -0.139
108 1HH1 ARG 15 1HH2 ARG 15 3.622 1.826 1.677
109 2HH1 ARG 15 2HH2 ARG 15 5.118 1.656 0.828
110 1HH2 ARG 15 1HH1 ARG 15 4.624 4.405 -1.213
111 2HH2 ARG 15 2HH1 ARG 15 5.681 3.098 -0.791
112 H ASP 16 H ASP 16 0.009 -1.903 2.893
113 HA ASP 16 HA ASP 16 2.487 -2.586 1.454
114 1HB ASP 16 2HB ASP 16 1.074 -3.559 3.886
115 2HB ASP 16 1HB ASP 16 2.126 -4.698 3.046
116 H CYS 17 H CYS 17 -0.510 -2.761 0.371
117 HA CYS 17 HA CYS 17 -0.246 -5.579 -0.608
118 1HB CYS 17 2HB CYS 17 -2.723 -3.867 -0.258
119 2HB CYS 17 1HB CYS 17 -2.705 -5.458 -1.017
120 H CYS 18 H CYS 18 -1.877 -5.543 -2.795
121 HA CYS 18 HA CYS 18 -0.593 -3.483 -4.547
122 1HB CYS 18 2HB CYS 18 -1.562 -6.243 -5.352
123 2HB CYS 18 1HB CYS 18 -0.660 -5.106 -6.354
124 H GLU 19 H GLU 19 -2.034 -3.521 -6.765
125 HA GLU 19 HA GLU 19 -4.451 -2.157 -6.120
126 1HB GLU 19 2HB GLU 19 -2.953 -2.351 -8.358
127 2HB GLU 19 1HB GLU 19 -4.254 -3.460 -8.783
128 1HG GLU 19 2HG GLU 19 -5.811 -1.801 -8.921
129 2HG GLU 19 1HG GLU 19 -5.128 -0.915 -7.560
130 H LEU 20 H LEU 20 -3.964 -5.466 -7.403
131 HA LEU 20 HA LEU 20 -6.673 -6.245 -7.550
132 1HB LEU 20 2HB LEU 20 -4.462 -7.506 -8.210
133 2HB LEU 20 1HB LEU 20 -4.595 -8.187 -6.589
134 HG LEU 20 HG LEU 20 -7.066 -8.175 -8.251
135 1HD1 LEU 20 1HD1 LEU 20 -5.409 -8.913 -9.886
136 2HD1 LEU 20 2HD1 LEU 20 -6.354 -10.302 -9.348
137 3HD1 LEU 20 3HD1 LEU 20 -4.725 -10.046 -8.720
138 1HD2 LEU 20 1HD2 LEU 20 -7.459 -9.224 -6.231
139 2HD2 LEU 20 2HD2 LEU 20 -5.788 -9.765 -6.069
140 3HD2 LEU 20 3HD2 LEU 20 -6.889 -10.616 -7.152
141 H THR 21 H THR 21 -4.657 -5.778 -4.747
142 HA THR 21 HA THR 21 -6.946 -6.631 -3.018
143 HB THR 21 HB THR 21 -5.295 -7.518 -1.391
144 HG1 THR 21 1HG THR 21 -3.435 -7.039 -3.479
145 1HG2 THR 21 1HG2 THR 21 -4.575 -8.860 -3.963
146 2HG2 THR 21 2HG2 THR 21 -6.275 -8.816 -3.494
147 3HG2 THR 21 3HG2 THR 21 -5.086 -9.571 -2.432
148 HA PRO 22 HA PRO 22 -5.654 -2.342 -1.970
149 1HB PRO 22 2HB PRO 22 -8.187 -1.357 -1.742
150 2HB PRO 22 1HB PRO 22 -7.309 -1.450 -3.276
151 1HG PRO 22 2HG PRO 22 -9.539 -3.122 -2.278
152 2HG PRO 22 1HG PRO 22 -9.085 -2.718 -3.939
153 1HD PRO 22 2HD PRO 22 -8.550 -5.152 -2.625
154 2HD PRO 22 1HD PRO 22 -7.827 -4.605 -4.149
155 H VAL 23 H VAL 23 -6.858 -4.883 -0.218
156 HA VAL 23 HA VAL 23 -7.101 -3.151 2.211
157 HB VAL 23 HB VAL 23 -9.294 -4.087 1.562
158 1HG1 VAL 23 1HG1 VAL 23 -9.123 -6.125 0.565
159 2HG1 VAL 23 2HG1 VAL 23 -9.349 -6.694 2.214
160 3HG1 VAL 23 3HG1 VAL 23 -7.730 -6.606 1.526
161 1HG2 VAL 23 1HG2 VAL 23 -9.904 -4.520 3.744
162 2HG2 VAL 23 2HG2 VAL 23 -8.292 -3.864 4.027
163 3HG2 VAL 23 3HG2 VAL 23 -8.545 -5.610 4.016
164 H CYS 24 H CYS 24 -6.179 -3.931 4.118
165 HA CYS 24 HA CYS 24 -4.447 -6.357 3.845
166 1HB CYS 24 2HB CYS 24 -3.097 -4.286 3.784
167 2HB CYS 24 1HB CYS 24 -3.820 -3.762 5.301
168 H LYS 25 H LYS 25 -5.809 -7.742 4.970
169 HA LYS 25 HA LYS 25 -6.402 -6.983 7.809
170 1HB LYS 25 2HB LYS 25 -8.440 -8.434 7.605
171 2HB LYS 25 1HB LYS 25 -8.491 -7.004 6.574
172 1HG LYS 25 2HG LYS 25 -8.451 -8.232 4.665
173 2HG LYS 25 1HG LYS 25 -7.226 -9.334 5.290
174 1HD LYS 25 2HD LYS 25 -9.352 -10.045 6.834
175 2HD LYS 25 1HD LYS 25 -10.180 -9.561 5.354
176 1HE LYS 25 2HE LYS 25 -8.580 -11.040 4.076
177 2HE LYS 25 1HE LYS 25 -7.990 -11.635 5.627
178 1HZ LYS 25 1HZ LYS 25 -9.773 -13.005 4.587
179 2HZ LYS 25 2HZ LYS 25 -10.844 -11.709 4.826
180 3HZ LYS 25 3HZ LYS 25 -10.125 -12.476 6.159
181 H ARG 26 H ARG 26 -6.047 -8.584 9.359
182 HA ARG 26 HA ARG 26 -5.084 -10.504 10.291
183 1HB ARG 26 2HB ARG 26 -6.390 -11.479 7.787
184 2HB ARG 26 1HB ARG 26 -5.271 -12.569 8.605
185 1HG ARG 26 2HG ARG 26 -6.534 -12.477 10.642
186 2HG ARG 26 1HG ARG 26 -7.520 -11.142 10.043
187 1HD ARG 26 2HD ARG 26 -8.636 -12.534 8.470
188 2HD ARG 26 1HD ARG 26 -7.451 -13.826 8.658
189 HE ARG 26 HE ARG 26 -8.583 -13.452 11.199
190 1HH1 ARG 26 1HH2 ARG 26 -9.686 -14.332 7.998
191 2HH1 ARG 26 2HH2 ARG 26 -10.989 -15.294 8.603
192 1HH2 ARG 26 1HH1 ARG 26 -10.280 -14.708 11.937
193 2HH2 ARG 26 2HH1 ARG 26 -11.324 -15.506 10.808
194 H GLY 27 H GLY 27 -3.376 -8.670 8.833
195 1HA GLY 27 2HA GLY 27 -1.165 -8.558 8.058
196 2HA GLY 27 1HA GLY 27 -0.963 -10.172 8.738
197 H SER 28 H SER 28 -3.370 -9.525 6.276
198 HA SER 28 HA SER 28 -1.622 -10.715 4.187
199 1HB SER 28 2HB SER 28 -4.163 -11.857 5.283
200 2HB SER 28 1HB SER 28 -3.836 -12.038 3.563
201 HG SER 28 HG SER 28 -2.956 -13.593 5.357
202 H CYS 29 H CYS 29 -2.699 -10.490 1.984
203 HA CYS 29 HA CYS 29 -4.225 -7.920 1.918
204 1HB CYS 29 2HB CYS 29 -2.512 -9.261 -0.199
205 2HB CYS 29 1HB CYS 29 -3.409 -7.763 -0.439
206 H VAL 30 H VAL 30 -6.205 -7.836 0.874
207 HA VAL 30 HA VAL 30 -7.026 -10.060 -0.856
208 HB VAL 30 HB VAL 30 -9.057 -10.573 0.403
209 1HG1 VAL 30 1HG1 VAL 30 -6.668 -10.658 2.265
210 2HG1 VAL 30 2HG1 VAL 30 -6.898 -11.765 0.913
211 3HG1 VAL 30 3HG1 VAL 30 -8.046 -11.759 2.252
212 1HG2 VAL 30 1HG2 VAL 30 -9.588 -8.522 1.490
213 2HG2 VAL 30 2HG2 VAL 30 -8.006 -8.434 2.265
214 3HG2 VAL 30 3HG2 VAL 30 -9.181 -9.638 2.793
215 H SER 31 H SER 31 -9.618 -9.497 -1.233
216 HA SER 31 HA SER 31 -9.511 -6.878 -2.533
217 1HB SER 31 2HB SER 31 -11.584 -7.526 -3.594
218 2HB SER 31 1HB SER 31 -10.509 -8.920 -3.620
219 HG SER 31 HG SER 31 -12.910 -8.858 -2.674
220 H SER 32 H SER 32 -10.146 -5.067 -1.530
221 HA SER 32 HA SER 32 -11.337 -4.985 1.056
222 1HB SER 32 2HB SER 32 -11.601 -2.597 0.671
223 2HB SER 32 1HB SER 32 -10.058 -3.110 -0.006
224 HG SER 32 HG SER 32 -11.893 -1.822 -1.258
225 H GLY 33 H GLY 33 -12.847 -4.152 -2.090
226 1HA GLY 33 2HA GLY 33 -15.060 -4.530 -2.816
227 2HA GLY 33 1HA GLY 33 -15.326 -5.489 -1.359
228 HA PRO 34 HA PRO 34 -17.614 -1.584 -0.541
229 1HB PRO 34 2HB PRO 34 -19.906 -2.796 0.311
230 2HB PRO 34 1HB PRO 34 -19.549 -2.486 -1.395
231 1HG PRO 34 2HG PRO 34 -19.594 -5.034 0.067
232 2HG PRO 34 1HG PRO 34 -19.720 -4.730 -1.670
233 1HD PRO 34 2HD PRO 34 -17.410 -5.616 -0.205
234 2HD PRO 34 1HD PRO 34 -17.532 -5.275 -1.946
235 H GLY 35 H GLY 35 -18.945 -1.085 1.623
236 1HA GLY 35 2HA GLY 35 -17.170 -1.466 3.834
237 2HA GLY 35 1HA GLY 35 -18.812 -0.834 3.953
238 H LEU 36 H LEU 36 -20.503 -2.249 4.489
239 HA LEU 36 HA LEU 36 -19.810 -5.114 4.908
240 1HB LEU 36 2HB LEU 36 -19.678 -3.489 7.024
241 2HB LEU 36 1HB LEU 36 -21.424 -3.741 7.017
242 HG LEU 36 HG LEU 36 -21.005 -6.215 6.944
243 1HD1 LEU 36 1HD1 LEU 36 -18.886 -6.642 6.160
244 2HD1 LEU 36 2HD1 LEU 36 -18.517 -6.626 7.884
245 3HD1 LEU 36 3HD1 LEU 36 -18.207 -5.194 6.903
246 1HD2 LEU 36 1HD2 LEU 36 -20.298 -6.373 9.322
247 2HD2 LEU 36 2HD2 LEU 36 -21.480 -5.087 9.075
248 3HD2 LEU 36 3HD2 LEU 36 -19.772 -4.690 9.261
249 H VAL 37 H VAL 37 -21.755 -6.475 5.111
250 HA VAL 37 HA VAL 37 -23.793 -5.796 3.223
251 HB VAL 37 HB VAL 37 -24.969 -7.813 4.138
252 1HG1 VAL 37 1HG1 VAL 37 -23.389 -8.251 2.418
253 2HG1 VAL 37 2HG1 VAL 37 -22.985 -9.390 3.702
254 3HG1 VAL 37 3HG1 VAL 37 -22.021 -7.929 3.485
255 1HG2 VAL 37 1HG2 VAL 37 -22.587 -8.122 5.966
256 2HG2 VAL 37 2HG2 VAL 37 -24.119 -8.995 6.004
257 3HG2 VAL 37 3HG2 VAL 37 -24.052 -7.308 6.510
258 H GLY 38 H GLY 38 -26.222 -5.934 3.942
259 1HA GLY 38 2HA GLY 38 -28.009 -5.034 5.180
260 2HA GLY 38 1HA GLY 38 -26.914 -4.898 6.557
261 H GLY 39 H GLY 39 -25.367 -3.042 6.501
262 1HA GLY 39 2HA GLY 39 -24.753 -0.872 5.477
263 2HA GLY 39 1HA GLY 39 -26.419 -0.740 4.910
264 H ILE 40 H ILE 40 -24.533 0.772 6.937
265 HA ILE 40 HA ILE 40 -25.989 0.643 9.444
266 HB ILE 40 HB ILE 40 -24.138 2.827 8.457
267 1HG1 ILE 40 2HG1 ILE 40 -23.402 0.442 10.168
268 2HG1 ILE 40 1HG1 ILE 40 -23.222 0.431 8.414
269 1HG2 ILE 40 1HG2 ILE 40 -23.922 3.449 10.730
270 2HG2 ILE 40 2HG2 ILE 40 -24.625 1.936 11.300
271 3HG2 ILE 40 3HG2 ILE 40 -25.649 3.151 10.533
272 1HD1 ILE 40 1HD1 ILE 40 -22.020 2.571 10.185
273 2HD1 ILE 40 2HD1 ILE 40 -21.685 2.278 8.478
274 3HD1 ILE 40 3HD1 ILE 40 -21.144 1.121 9.694
275 H LEU 41 H LEU 41 -26.330 2.431 6.492
276 HA LEU 41 HA LEU 41 -28.521 4.030 7.750
277 1HB LEU 41 2HB LEU 41 -26.716 4.732 5.415
278 2HB LEU 41 1HB LEU 41 -28.111 5.689 5.917
279 HG LEU 41 HG LEU 41 -26.866 5.471 8.296
280 1HD1 LEU 41 1HD1 LEU 41 -24.565 5.699 6.351
281 2HD1 LEU 41 2HD1 LEU 41 -25.025 4.154 7.067
282 3HD1 LEU 41 3HD1 LEU 41 -24.500 5.483 8.100
283 1HD2 LEU 41 1HD2 LEU 41 -25.980 7.718 7.881
284 2HD2 LEU 41 2HD2 LEU 41 -27.561 7.556 7.113
285 3HD2 LEU 41 3HD2 LEU 41 -26.093 7.464 6.139
286 H GLY 42 H GLY 42 -30.235 2.641 7.269
287 1HA GLY 42 2HA GLY 42 -32.004 1.928 5.873
288 2HA GLY 42 1HA GLY 42 -31.150 2.626 4.496
289 H GLY 43 H GLY 43 -31.908 -0.271 6.127
290 1HA GLY 43 2HA GLY 43 -29.751 -1.786 4.761
291 2HA GLY 43 1HA GLY 43 -30.808 -2.422 6.018
292 H ILE 44 H ILE 44 -32.036 -0.558 3.321
293 HA ILE 44 HA ILE 44 -33.131 -3.063 2.113
294 HB ILE 44 HB ILE 44 -34.666 -0.470 2.458
295 1HG1 ILE 44 2HG1 ILE 44 -35.157 -3.083 3.902
296 2HG1 ILE 44 1HG1 ILE 44 -34.138 -1.816 4.589
297 1HG2 ILE 44 1HG2 ILE 44 -35.644 -1.528 0.633
298 2HG2 ILE 44 2HG2 ILE 44 -36.547 -2.263 1.956
299 3HG2 ILE 44 3HG2 ILE 44 -35.214 -3.139 1.204
300 1HD1 ILE 44 1HD1 ILE 44 -36.241 -1.299 5.484
301 2HD1 ILE 44 2HD1 ILE 44 -37.088 -1.755 4.005
302 3HD1 ILE 44 3HD1 ILE 44 -36.168 -0.252 4.066
303 H LEU 45 H LEU 45 -33.261 -3.039 -0.146
304 HA LEU 45 HA LEU 45 -32.704 -2.384 -2.327
305 1HB LEU 45 2HB LEU 45 -34.269 -0.399 -1.363
306 2HB LEU 45 1HB LEU 45 -32.786 0.511 -1.654
307 HG LEU 45 HG LEU 45 -33.691 -1.363 -3.795
308 1HD1 LEU 45 1HD1 LEU 45 -34.887 1.400 -3.535
309 2HD1 LEU 45 2HD1 LEU 45 -35.719 -0.035 -2.937
310 3HD1 LEU 45 3HD1 LEU 45 -35.344 0.115 -4.654
311 1HD2 LEU 45 1HD2 LEU 45 -32.151 1.184 -3.497
312 2HD2 LEU 45 2HD2 LEU 45 -32.970 0.893 -5.032
313 3HD2 LEU 45 3HD2 LEU 45 -31.766 -0.254 -4.442
Start of MODEL 2
1 1H LEU 1 1HT LEU 1 1.316 4.112 -15.955
2 2H LEU 1 2HT LEU 1 -0.108 3.788 -15.086
3 3H LEU 1 3HT LEU 1 0.705 2.530 -15.889
4 HA LEU 1 HA LEU 1 2.684 3.213 -14.373
5 1HB LEU 1 2HB LEU 1 0.267 4.083 -12.758
6 2HB LEU 1 1HB LEU 1 1.943 4.064 -12.211
7 HG LEU 1 HG LEU 1 1.161 5.629 -14.662
8 1HD1 LEU 1 1HD1 LEU 1 0.789 6.367 -11.763
9 2HD1 LEU 1 2HD1 LEU 1 -0.329 6.588 -13.109
10 3HD1 LEU 1 3HD1 LEU 1 1.104 7.607 -12.978
11 1HD2 LEU 1 1HD2 LEU 1 3.177 6.822 -14.207
12 2HD2 LEU 1 2HD2 LEU 1 3.574 5.124 -13.943
13 3HD2 LEU 1 3HD2 LEU 1 3.271 6.183 -12.566
14 H LEU 2 H LEU 2 2.241 2.122 -11.878
15 HA LEU 2 HA LEU 2 0.731 -0.393 -12.408
16 1HB LEU 2 2HB LEU 2 3.604 -0.011 -11.794
17 2HB LEU 2 1HB LEU 2 2.800 -1.248 -10.831
18 HG LEU 2 HG LEU 2 2.481 -1.135 -13.830
19 1HD1 LEU 2 1HD1 LEU 2 4.626 -2.537 -12.209
20 2HD1 LEU 2 2HD1 LEU 2 4.872 -1.302 -13.444
21 3HD1 LEU 2 3HD1 LEU 2 4.271 -2.896 -13.899
22 1HD2 LEU 2 1HD2 LEU 2 1.925 -3.079 -11.610
23 2HD2 LEU 2 2HD2 LEU 2 2.255 -3.698 -13.228
24 3HD2 LEU 2 3HD2 LEU 2 0.895 -2.607 -12.962
25 H ALA 3 H ALA 3 1.041 -1.625 -10.013
26 HA ALA 3 HA ALA 3 0.794 0.113 -7.722
27 1HB ALA 3 1HB ALA 3 -1.692 -0.563 -7.361
28 2HB ALA 3 2HB ALA 3 -1.708 -0.848 -9.101
29 3HB ALA 3 3HB ALA 3 -1.342 0.760 -8.474
30 H CYS 4 H CYS 4 2.319 -1.565 -7.063
31 HA CYS 4 HA CYS 4 1.148 -3.626 -5.491
32 1HB CYS 4 2HB CYS 4 0.751 -4.664 -7.725
33 2HB CYS 4 1HB CYS 4 2.483 -4.606 -8.033
34 H LEU 5 H LEU 5 2.589 -2.912 -3.939
35 HA LEU 5 HA LEU 5 5.425 -2.566 -4.449
36 1HB LEU 5 2HB LEU 5 4.060 -2.936 -1.766
37 2HB LEU 5 1HB LEU 5 5.620 -2.172 -2.070
38 HG LEU 5 HG LEU 5 2.976 -1.156 -3.149
39 1HD1 LEU 5 1HD1 LEU 5 3.461 -1.059 -0.580
40 2HD1 LEU 5 2HD1 LEU 5 2.916 0.404 -1.400
41 3HD1 LEU 5 3HD1 LEU 5 4.625 0.190 -1.022
42 1HD2 LEU 5 1HD2 LEU 5 4.290 0.834 -3.742
43 2HD2 LEU 5 2HD2 LEU 5 4.990 -0.596 -4.499
44 3HD2 LEU 5 3HD2 LEU 5 5.741 0.097 -3.061
45 H PHE 6 H PHE 6 3.386 -5.185 -3.310
46 HA PHE 6 HA PHE 6 5.706 -7.017 -3.527
47 1HB PHE 6 2HB PHE 6 3.978 -6.722 -1.057
48 2HB PHE 6 1HB PHE 6 5.019 -8.112 -1.355
49 HD1 PHE 6 1HD PHE 6 4.855 -4.842 0.025
50 HD2 PHE 6 2HD PHE 6 7.519 -7.570 -1.952
51 HE1 PHE 6 1HE PHE 6 6.801 -3.574 0.896
52 HE2 PHE 6 2HE PHE 6 9.465 -6.301 -1.082
53 HZ PHE 6 HZ PHE 6 9.105 -4.304 0.342
54 H GLY 7 H GLY 7 2.485 -7.515 -2.110
55 1HA GLY 7 2HA GLY 7 0.602 -8.631 -3.037
56 2HA GLY 7 1HA GLY 7 1.502 -8.841 -4.540
57 H ASN 8 H ASN 8 2.886 -9.747 -1.447
58 HA ASN 8 HA ASN 8 3.054 -12.542 -2.390
59 1HB ASN 8 2HB ASN 8 4.247 -11.134 0.015
60 2HB ASN 8 1HB ASN 8 4.522 -12.831 -0.381
61 1HD2 ASN 8 1HD2 ASN 8 6.818 -12.477 -0.808
62 2HD2 ASN 8 2HD2 ASN 8 7.340 -11.640 -2.191
63 H GLY 9 H GLY 9 0.595 -11.002 -1.024
64 1HA GLY 9 2HA GLY 9 -1.290 -11.914 0.049
65 2HA GLY 9 1HA GLY 9 -0.373 -13.388 0.330
66 H ARG 10 H ARG 10 1.663 -11.059 1.446
67 HA ARG 10 HA ARG 10 0.404 -11.025 4.156
68 1HB ARG 10 2HB ARG 10 2.737 -11.186 5.074
69 2HB ARG 10 1HB ARG 10 2.224 -12.631 4.203
70 1HG ARG 10 2HG ARG 10 3.353 -11.744 2.165
71 2HG ARG 10 1HG ARG 10 3.962 -10.401 3.121
72 1HD ARG 10 2HD ARG 10 4.735 -12.464 4.693
73 2HD ARG 10 1HD ARG 10 4.794 -13.252 3.117
74 HE ARG 10 HE ARG 10 6.706 -11.980 2.644
75 1HH1 ARG 10 1HH2 ARG 10 4.834 -10.401 5.142
76 2HH1 ARG 10 2HH2 ARG 10 6.007 -9.151 5.369
77 1HH2 ARG 10 1HH1 ARG 10 8.196 -10.342 2.972
78 2HH2 ARG 10 2HH1 ARG 10 7.890 -9.115 4.156
79 H CYS 11 H CYS 11 0.435 -9.059 5.166
80 HA CYS 11 HA CYS 11 2.222 -6.914 4.187
81 1HB CYS 11 2HB CYS 11 0.276 -5.348 3.926
82 2HB CYS 11 1HB CYS 11 0.323 -6.631 2.723
83 H SER 12 H SER 12 1.845 -4.867 5.493
84 HA SER 12 HA SER 12 1.118 -5.570 8.310
85 1HB SER 12 2HB SER 12 3.520 -5.161 8.111
86 2HB SER 12 1HB SER 12 3.218 -3.635 7.287
87 HG SER 12 HG SER 12 3.164 -4.244 9.948
88 H SER 13 H SER 13 0.226 -3.738 5.634
89 HA SER 13 HA SER 13 -1.763 -2.253 7.106
90 1HB SER 13 2HB SER 13 -0.949 0.002 6.408
91 2HB SER 13 1HB SER 13 0.143 -0.774 7.550
92 HG SER 13 HG SER 13 1.557 -1.160 5.951
93 H ASN 14 H ASN 14 -2.924 -0.737 5.407
94 HA ASN 14 HA ASN 14 -3.669 -2.343 3.168
95 1HB ASN 14 2HB ASN 14 -4.194 0.463 4.045
96 2HB ASN 14 1HB ASN 14 -4.552 0.048 2.367
97 1HD2 ASN 14 1HD2 ASN 14 -6.792 -0.296 2.314
98 2HD2 ASN 14 2HD2 ASN 14 -7.637 -1.301 3.389
99 H ARG 15 H ARG 15 -1.379 0.353 3.462
100 HA ARG 15 HA ARG 15 -0.860 0.595 0.643
101 1HB ARG 15 2HB ARG 15 -0.288 2.222 2.612
102 2HB ARG 15 1HB ARG 15 1.194 1.271 2.726
103 1HG ARG 15 2HG ARG 15 1.170 1.661 0.071
104 2HG ARG 15 1HG ARG 15 0.280 3.104 0.560
105 1HD ARG 15 2HD ARG 15 2.098 3.709 2.110
106 2HD ARG 15 1HD ARG 15 2.990 2.264 1.633
107 HE ARG 15 HE ARG 15 2.370 3.786 -0.705
108 1HH1 ARG 15 1HH2 ARG 15 4.402 3.882 2.140
109 2HH1 ARG 15 2HH2 ARG 15 5.618 4.833 1.362
110 1HH2 ARG 15 1HH1 ARG 15 3.968 5.018 -1.672
111 2HH2 ARG 15 2HH1 ARG 15 5.377 5.470 -0.773
112 H ASP 16 H ASP 16 0.001 -1.873 2.827
113 HA ASP 16 HA ASP 16 2.494 -2.565 1.415
114 1HB ASP 16 2HB ASP 16 1.064 -3.519 3.848
115 2HB ASP 16 1HB ASP 16 2.125 -4.662 3.025
116 H CYS 17 H CYS 17 -0.486 -2.743 0.303
117 HA CYS 17 HA CYS 17 -0.209 -5.567 -0.657
118 1HB CYS 17 2HB CYS 17 -2.705 -3.888 -0.289
119 2HB CYS 17 1HB CYS 17 -2.672 -5.481 -1.042
120 H CYS 18 H CYS 18 -1.861 -5.554 -2.833
121 HA CYS 18 HA CYS 18 -0.610 -3.482 -4.596
122 1HB CYS 18 2HB CYS 18 -1.565 -6.245 -5.400
123 2HB CYS 18 1HB CYS 18 -0.676 -5.102 -6.404
124 H GLU 19 H GLU 19 -2.047 -3.506 -6.799
125 HA GLU 19 HA GLU 19 -4.481 -2.178 -6.150
126 1HB GLU 19 2HB GLU 19 -3.058 -2.118 -8.334
127 2HB GLU 19 1HB GLU 19 -4.028 -3.509 -8.811
128 1HG GLU 19 2HG GLU 19 -5.960 -1.794 -7.881
129 2HG GLU 19 1HG GLU 19 -4.795 -0.673 -8.585
130 H LEU 20 H LEU 20 -3.950 -5.473 -7.452
131 HA LEU 20 HA LEU 20 -6.648 -6.289 -7.609
132 1HB LEU 20 2HB LEU 20 -4.103 -7.810 -7.037
133 2HB LEU 20 1HB LEU 20 -5.664 -8.627 -7.140
134 HG LEU 20 HG LEU 20 -4.797 -6.750 -9.325
135 1HD1 LEU 20 1HD1 LEU 20 -4.029 -9.664 -8.995
136 2HD1 LEU 20 2HD1 LEU 20 -2.933 -8.288 -9.124
137 3HD1 LEU 20 3HD1 LEU 20 -3.902 -8.777 -10.514
138 1HD2 LEU 20 1HD2 LEU 20 -6.206 -8.439 -10.628
139 2HD2 LEU 20 2HD2 LEU 20 -7.082 -7.456 -9.454
140 3HD2 LEU 20 3HD2 LEU 20 -6.658 -9.124 -9.067
141 H THR 21 H THR 21 -4.620 -5.840 -4.808
142 HA THR 21 HA THR 21 -6.905 -6.688 -3.070
143 HB THR 21 HB THR 21 -5.222 -7.550 -1.445
144 HG1 THR 21 1HG THR 21 -3.074 -7.871 -2.407
145 1HG2 THR 21 1HG2 THR 21 -4.933 -9.623 -2.503
146 2HG2 THR 21 2HG2 THR 21 -4.668 -8.886 -4.083
147 3HG2 THR 21 3HG2 THR 21 -6.289 -8.925 -3.390
148 HA PRO 22 HA PRO 22 -5.616 -2.387 -2.064
149 1HB PRO 22 2HB PRO 22 -8.150 -1.404 -1.823
150 2HB PRO 22 1HB PRO 22 -7.283 -1.509 -3.364
151 1HG PRO 22 2HG PRO 22 -9.498 -3.181 -2.330
152 2HG PRO 22 1HG PRO 22 -9.066 -2.783 -3.999
153 1HD PRO 22 2HD PRO 22 -8.508 -5.210 -2.685
154 2HD PRO 22 1HD PRO 22 -7.794 -4.663 -4.213
155 H VAL 23 H VAL 23 -6.820 -4.913 -0.283
156 HA VAL 23 HA VAL 23 -7.032 -3.160 2.134
157 HB VAL 23 HB VAL 23 -9.234 -4.090 1.514
158 1HG1 VAL 23 1HG1 VAL 23 -9.290 -6.694 2.183
159 2HG1 VAL 23 2HG1 VAL 23 -7.683 -6.614 1.465
160 3HG1 VAL 23 3HG1 VAL 23 -9.091 -6.133 0.528
161 1HG2 VAL 23 1HG2 VAL 23 -9.830 -4.558 3.704
162 2HG2 VAL 23 2HG2 VAL 23 -8.244 -3.829 3.960
163 3HG2 VAL 23 3HG2 VAL 23 -8.421 -5.583 3.976
164 H CYS 24 H CYS 24 -6.052 -3.888 4.013
165 HA CYS 24 HA CYS 24 -4.362 -6.347 3.774
166 1HB CYS 24 2HB CYS 24 -2.969 -4.321 3.604
167 2HB CYS 24 1HB CYS 24 -3.668 -3.696 5.094
168 H LYS 25 H LYS 25 -5.743 -7.660 4.970
169 HA LYS 25 HA LYS 25 -6.198 -6.820 7.810
170 1HB LYS 25 2HB LYS 25 -8.323 -8.148 7.715
171 2HB LYS 25 1HB LYS 25 -8.332 -6.742 6.650
172 1HG LYS 25 2HG LYS 25 -7.978 -8.066 4.715
173 2HG LYS 25 1HG LYS 25 -7.475 -9.464 5.664
174 1HD LYS 25 2HD LYS 25 -9.690 -9.982 5.027
175 2HD LYS 25 1HD LYS 25 -9.855 -9.383 6.678
176 1HE LYS 25 2HE LYS 25 -10.401 -7.132 5.791
177 2HE LYS 25 1HE LYS 25 -10.285 -7.766 4.149
178 1HZ LYS 25 1HZ LYS 25 -12.573 -7.657 5.313
179 2HZ LYS 25 2HZ LYS 25 -12.057 -9.070 6.103
180 3HZ LYS 25 3HZ LYS 25 -12.169 -9.034 4.408
181 H ARG 26 H ARG 26 -6.006 -8.477 9.370
182 HA ARG 26 HA ARG 26 -5.124 -10.435 10.296
183 1HB ARG 26 2HB ARG 26 -6.337 -11.371 7.716
184 2HB ARG 26 1HB ARG 26 -5.351 -12.493 8.655
185 1HG ARG 26 2HG ARG 26 -6.777 -11.818 10.675
186 2HG ARG 26 1HG ARG 26 -7.872 -11.064 9.515
187 1HD ARG 26 2HD ARG 26 -7.523 -13.508 8.356
188 2HD ARG 26 1HD ARG 26 -7.389 -13.932 10.062
189 HE ARG 26 HE ARG 26 -9.818 -13.181 8.708
190 1HH1 ARG 26 1HH2 ARG 26 -8.112 -12.850 11.744
191 2HH1 ARG 26 2HH2 ARG 26 -9.568 -12.639 12.653
192 1HH2 ARG 26 1HH1 ARG 26 -11.674 -12.904 9.924
193 2HH2 ARG 26 2HH1 ARG 26 -11.564 -12.669 11.636
194 H GLY 27 H GLY 27 -3.364 -8.622 8.820
195 1HA GLY 27 2HA GLY 27 -1.127 -8.557 8.119
196 2HA GLY 27 1HA GLY 27 -0.974 -10.175 8.805
197 H SER 28 H SER 28 -3.288 -9.432 6.272
198 HA SER 28 HA SER 28 -1.523 -10.636 4.219
199 1HB SER 28 2HB SER 28 -4.014 -11.856 5.324
200 2HB SER 28 1HB SER 28 -3.740 -11.990 3.589
201 HG SER 28 HG SER 28 -2.460 -13.203 5.689
202 H CYS 29 H CYS 29 -2.639 -10.483 2.004
203 HA CYS 29 HA CYS 29 -4.176 -7.920 1.915
204 1HB CYS 29 2HB CYS 29 -2.481 -9.274 -0.209
205 2HB CYS 29 1HB CYS 29 -3.380 -7.776 -0.444
206 H VAL 30 H VAL 30 -6.154 -7.856 0.865
207 HA VAL 30 HA VAL 30 -6.974 -10.117 -0.817
208 HB VAL 30 HB VAL 30 -9.003 -10.603 0.459
209 1HG1 VAL 30 1HG1 VAL 30 -6.626 -10.653 2.334
210 2HG1 VAL 30 2HG1 VAL 30 -6.822 -11.770 0.983
211 3HG1 VAL 30 3HG1 VAL 30 -7.991 -11.771 2.305
212 1HG2 VAL 30 1HG2 VAL 30 -9.539 -8.543 1.512
213 2HG2 VAL 30 2HG2 VAL 30 -7.946 -8.419 2.260
214 3HG2 VAL 30 3HG2 VAL 30 -9.101 -9.621 2.837
215 H SER 31 H SER 31 -9.548 -9.565 -1.238
216 HA SER 31 HA SER 31 -9.435 -6.955 -2.555
217 1HB SER 31 2HB SER 31 -11.790 -7.681 -3.318
218 2HB SER 31 1HB SER 31 -10.428 -8.642 -3.887
219 HG SER 31 HG SER 31 -11.048 -10.258 -2.659
220 H SER 32 H SER 32 -10.120 -5.134 -1.606
221 HA SER 32 HA SER 32 -11.314 -5.009 0.975
222 1HB SER 32 2HB SER 32 -11.571 -2.654 0.575
223 2HB SER 32 1HB SER 32 -10.088 -3.145 -0.239
224 HG SER 32 HG SER 32 -12.231 -1.996 -1.281
225 H GLY 33 H GLY 33 -12.735 -5.279 -2.221
226 1HA GLY 33 2HA GLY 33 -14.942 -5.916 -2.776
227 2HA GLY 33 1HA GLY 33 -15.330 -5.938 -1.056
228 HA PRO 34 HA PRO 34 -15.976 -1.410 -2.530
229 1HB PRO 34 2HB PRO 34 -15.613 -0.874 -5.181
230 2HB PRO 34 1HB PRO 34 -14.301 -0.826 -3.995
231 1HG PRO 34 2HG PRO 34 -14.801 -2.769 -6.137
232 2HG PRO 34 1HG PRO 34 -13.307 -2.424 -5.255
233 1HD PRO 34 2HD PRO 34 -15.132 -4.616 -4.847
234 2HD PRO 34 1HD PRO 34 -13.632 -4.264 -3.961
235 H GLY 35 H GLY 35 -17.915 -3.396 -2.472
236 1HA GLY 35 2HA GLY 35 -20.296 -2.578 -3.163
237 2HA GLY 35 1HA GLY 35 -19.698 -2.850 -4.801
238 H LEU 36 H LEU 36 -18.112 -5.201 -4.035
239 HA LEU 36 HA LEU 36 -20.367 -7.137 -3.739
240 1HB LEU 36 2HB LEU 36 -18.406 -6.950 -5.707
241 2HB LEU 36 1HB LEU 36 -17.802 -8.233 -4.659
242 HG LEU 36 HG LEU 36 -20.699 -8.284 -5.402
243 1HD1 LEU 36 1HD1 LEU 36 -19.987 -9.647 -7.452
244 2HD1 LEU 36 2HD1 LEU 36 -18.392 -8.922 -7.251
245 3HD1 LEU 36 3HD1 LEU 36 -19.792 -7.899 -7.573
246 1HD2 LEU 36 1HD2 LEU 36 -18.687 -10.536 -5.317
247 2HD2 LEU 36 2HD2 LEU 36 -20.434 -10.618 -5.088
248 3HD2 LEU 36 3HD2 LEU 36 -19.413 -9.901 -3.840
249 H VAL 37 H VAL 37 -20.302 -8.623 -2.078
250 HA VAL 37 HA VAL 37 -18.041 -8.359 -0.152
251 HB VAL 37 HB VAL 37 -19.625 -9.468 1.449
252 1HG1 VAL 37 1HG1 VAL 37 -21.041 -7.501 1.746
253 2HG1 VAL 37 2HG1 VAL 37 -20.743 -7.002 0.081
254 3HG1 VAL 37 3HG1 VAL 37 -19.427 -6.986 1.255
255 1HG2 VAL 37 1HG2 VAL 37 -20.926 -10.402 -0.689
256 2HG2 VAL 37 2HG2 VAL 37 -21.855 -8.919 -0.467
257 3HG2 VAL 37 3HG2 VAL 37 -21.763 -10.106 0.834
258 H GLY 38 H GLY 38 -18.053 -10.674 1.191
259 1HA GLY 38 2HA GLY 38 -18.372 -13.088 -0.272
260 2HA GLY 38 1HA GLY 38 -16.722 -12.518 -0.525
261 H GLY 39 H GLY 39 -15.531 -11.921 1.560
262 1HA GLY 39 2HA GLY 39 -15.603 -12.284 4.077
263 2HA GLY 39 1HA GLY 39 -16.259 -13.879 3.704
264 H ILE 40 H ILE 40 -14.828 -15.528 3.388
265 HA ILE 40 HA ILE 40 -11.940 -14.797 3.105
266 HB ILE 40 HB ILE 40 -13.096 -17.292 4.387
267 1HG1 ILE 40 2HG1 ILE 40 -11.940 -15.947 6.425
268 2HG1 ILE 40 1HG1 ILE 40 -12.471 -14.579 5.445
269 1HG2 ILE 40 1HG2 ILE 40 -10.635 -16.996 3.329
270 2HG2 ILE 40 2HG2 ILE 40 -10.929 -17.945 4.786
271 3HG2 ILE 40 3HG2 ILE 40 -10.344 -16.287 4.918
272 1HD1 ILE 40 1HD1 ILE 40 -14.098 -16.649 6.851
273 2HD1 ILE 40 2HD1 ILE 40 -14.716 -16.023 5.322
274 3HD1 ILE 40 3HD1 ILE 40 -14.399 -14.922 6.663
275 H LEU 41 H LEU 41 -13.236 -14.914 0.765
276 HA LEU 41 HA LEU 41 -13.562 -17.493 -0.427
277 1HB LEU 41 2HB LEU 41 -13.036 -14.738 -1.541
278 2HB LEU 41 1HB LEU 41 -13.131 -16.146 -2.599
279 HG LEU 41 HG LEU 41 -15.305 -15.829 -0.587
280 1HD1 LEU 41 1HD1 LEU 41 -14.964 -13.525 -1.495
281 2HD1 LEU 41 2HD1 LEU 41 -16.512 -14.222 -1.975
282 3HD1 LEU 41 3HD1 LEU 41 -15.175 -14.168 -3.123
283 1HD2 LEU 41 1HD2 LEU 41 -16.579 -16.510 -2.751
284 2HD2 LEU 41 2HD2 LEU 41 -15.520 -17.706 -2.003
285 3HD2 LEU 41 3HD2 LEU 41 -14.975 -16.810 -3.422
286 H GLY 42 H GLY 42 -12.113 -18.496 -2.037
287 1HA GLY 42 2HA GLY 42 -9.812 -18.475 -3.048
288 2HA GLY 42 1HA GLY 42 -9.229 -17.925 -1.477
289 H GLY 43 H GLY 43 -11.311 -20.589 -2.670
290 1HA GLY 43 2HA GLY 43 -9.737 -22.784 -2.199
291 2HA GLY 43 1HA GLY 43 -10.311 -22.380 -0.580
292 H ILE 44 H ILE 44 -12.105 -23.487 -0.013
293 HA ILE 44 HA ILE 44 -13.659 -25.036 -1.845
294 HB ILE 44 HB ILE 44 -13.518 -25.561 0.558
295 1HG1 ILE 44 2HG1 ILE 44 -16.383 -24.845 -0.115
296 2HG1 ILE 44 1HG1 ILE 44 -15.540 -26.206 -0.857
297 1HG2 ILE 44 1HG2 ILE 44 -13.546 -23.728 1.902
298 2HG2 ILE 44 2HG2 ILE 44 -15.295 -23.942 1.866
299 3HG2 ILE 44 3HG2 ILE 44 -14.525 -22.792 0.775
300 1HD1 ILE 44 1HD1 ILE 44 -15.618 -25.898 2.139
301 2HD1 ILE 44 2HD1 ILE 44 -15.338 -27.356 1.187
302 3HD1 ILE 44 3HD1 ILE 44 -16.955 -26.659 1.277
303 H LEU 45 H LEU 45 -15.987 -24.699 -2.344
304 HA LEU 45 HA LEU 45 -17.725 -23.403 -3.238
305 1HB LEU 45 2HB LEU 45 -17.619 -22.585 -0.762
306 2HB LEU 45 1HB LEU 45 -16.869 -21.140 -1.443
307 HG LEU 45 HG LEU 45 -18.946 -21.354 -3.131
308 1HD1 LEU 45 1HD1 LEU 45 -20.856 -22.321 -2.209
309 2HD1 LEU 45 2HD1 LEU 45 -20.241 -22.205 -0.560
310 3HD1 LEU 45 3HD1 LEU 45 -19.607 -23.435 -1.653
311 1HD2 LEU 45 1HD2 LEU 45 -19.509 -20.217 -0.407
312 2HD2 LEU 45 2HD2 LEU 45 -19.856 -19.527 -1.992
313 3HD2 LEU 45 3HD2 LEU 45 -18.204 -19.535 -1.377
Start of MODEL 3
1 1H LEU 1 1HT LEU 1 4.490 -0.957 -17.124
2 2H LEU 1 2HT LEU 1 5.405 -1.787 -15.957
3 3H LEU 1 3HT LEU 1 5.274 -0.094 -15.892
4 HA LEU 1 HA LEU 1 2.850 -0.339 -15.532
5 1HB LEU 1 2HB LEU 1 3.174 -2.844 -16.462
6 2HB LEU 1 1HB LEU 1 3.327 -3.171 -14.734
7 HG LEU 1 HG LEU 1 1.179 -1.585 -14.626
8 1HD1 LEU 1 1HD1 LEU 1 -0.115 -1.507 -16.534
9 2HD1 LEU 1 2HD1 LEU 1 0.535 -3.021 -17.164
10 3HD1 LEU 1 3HD1 LEU 1 1.481 -1.537 -17.285
11 1HD2 LEU 1 1HD2 LEU 1 1.190 -4.517 -15.415
12 2HD2 LEU 1 2HD2 LEU 1 -0.206 -3.669 -14.748
13 3HD2 LEU 1 3HD2 LEU 1 1.250 -3.870 -13.775
14 H LEU 2 H LEU 2 2.230 -0.072 -13.351
15 HA LEU 2 HA LEU 2 4.024 -0.997 -11.207
16 1HB LEU 2 2HB LEU 2 4.675 1.394 -12.296
17 2HB LEU 2 1HB LEU 2 3.485 1.924 -11.107
18 HG LEU 2 HG LEU 2 4.775 0.442 -9.432
19 1HD1 LEU 2 1HD1 LEU 2 6.762 0.651 -11.710
20 2HD1 LEU 2 2HD1 LEU 2 6.128 -0.824 -10.981
21 3HD1 LEU 2 3HD1 LEU 2 7.211 0.219 -10.061
22 1HD2 LEU 2 1HD2 LEU 2 6.053 2.920 -10.632
23 2HD2 LEU 2 2HD2 LEU 2 6.450 2.251 -9.050
24 3HD2 LEU 2 3HD2 LEU 2 4.836 2.890 -9.356
25 H ALA 3 H ALA 3 2.473 -1.913 -9.943
26 HA ALA 3 HA ALA 3 0.526 -0.277 -8.586
27 1HB ALA 3 1HB ALA 3 -0.807 -2.354 -10.286
28 2HB ALA 3 2HB ALA 3 -0.409 -0.798 -11.015
29 3HB ALA 3 3HB ALA 3 -1.473 -0.868 -9.611
30 H CYS 4 H CYS 4 2.532 -1.998 -7.710
31 HA CYS 4 HA CYS 4 1.151 -3.660 -5.859
32 1HB CYS 4 2HB CYS 4 0.747 -5.072 -7.857
33 2HB CYS 4 1HB CYS 4 2.478 -5.136 -8.159
34 H LEU 5 H LEU 5 2.583 -2.772 -4.385
35 HA LEU 5 HA LEU 5 5.426 -2.583 -4.782
36 1HB LEU 5 2HB LEU 5 3.943 -2.694 -2.139
37 2HB LEU 5 1HB LEU 5 5.542 -2.010 -2.427
38 HG LEU 5 HG LEU 5 2.987 -1.002 -3.707
39 1HD1 LEU 5 1HD1 LEU 5 3.148 0.874 -2.169
40 2HD1 LEU 5 2HD1 LEU 5 4.640 0.227 -1.483
41 3HD1 LEU 5 3HD1 LEU 5 3.114 -0.622 -1.235
42 1HD2 LEU 5 1HD2 LEU 5 5.886 -0.171 -3.799
43 2HD2 LEU 5 2HD2 LEU 5 4.602 0.998 -4.110
44 3HD2 LEU 5 3HD2 LEU 5 4.771 -0.422 -5.142
45 H PHE 6 H PHE 6 3.324 -5.044 -3.395
46 HA PHE 6 HA PHE 6 5.673 -6.878 -3.322
47 1HB PHE 6 2HB PHE 6 3.635 -6.506 -1.111
48 2HB PHE 6 1HB PHE 6 4.778 -7.847 -1.183
49 HD1 PHE 6 1HD PHE 6 7.227 -7.419 -1.049
50 HD2 PHE 6 2HD PHE 6 4.338 -4.287 -0.505
51 HE1 PHE 6 1HE PHE 6 8.974 -5.984 -0.029
52 HE2 PHE 6 2HE PHE 6 6.085 -2.852 0.515
53 HZ PHE 6 HZ PHE 6 8.402 -3.701 0.753
54 H GLY 7 H GLY 7 2.316 -7.396 -2.275
55 1HA GLY 7 2HA GLY 7 0.596 -8.656 -3.304
56 2HA GLY 7 1HA GLY 7 1.617 -8.822 -4.732
57 H ASN 8 H ASN 8 2.792 -9.637 -1.527
58 HA ASN 8 HA ASN 8 3.132 -12.438 -2.431
59 1HB ASN 8 2HB ASN 8 4.318 -10.767 -0.229
60 2HB ASN 8 1HB ASN 8 4.430 -12.527 -0.168
61 1HD2 ASN 8 1HD2 ASN 8 5.888 -13.570 -1.627
62 2HD2 ASN 8 2HD2 ASN 8 6.888 -12.719 -2.702
63 H GLY 9 H GLY 9 0.622 -10.915 -1.083
64 1HA GLY 9 2HA GLY 9 -1.260 -11.859 -0.033
65 2HA GLY 9 1HA GLY 9 -0.332 -13.327 0.233
66 H ARG 10 H ARG 10 1.684 -11.014 1.403
67 HA ARG 10 HA ARG 10 0.399 -11.033 4.102
68 1HB ARG 10 2HB ARG 10 2.718 -11.194 5.039
69 2HB ARG 10 1HB ARG 10 2.246 -12.621 4.113
70 1HG ARG 10 2HG ARG 10 3.396 -11.673 2.129
71 2HG ARG 10 1HG ARG 10 3.935 -10.316 3.107
72 1HD ARG 10 2HD ARG 10 5.702 -12.026 2.961
73 2HD ARG 10 1HD ARG 10 5.116 -11.879 4.619
74 HE ARG 10 HE ARG 10 3.688 -13.928 3.138
75 1HH1 ARG 10 1HH2 ARG 10 6.606 -13.232 4.937
76 2HH1 ARG 10 2HH2 ARG 10 6.850 -14.887 5.376
77 1HH2 ARG 10 1HH1 ARG 10 4.043 -16.056 3.728
78 2HH2 ARG 10 2HH1 ARG 10 5.416 -16.470 4.701
79 H CYS 11 H CYS 11 0.422 -9.092 5.167
80 HA CYS 11 HA CYS 11 2.182 -6.907 4.235
81 1HB CYS 11 2HB CYS 11 0.223 -5.354 4.009
82 2HB CYS 11 1HB CYS 11 0.279 -6.611 2.777
83 H SER 12 H SER 12 1.681 -4.871 5.573
84 HA SER 12 HA SER 12 0.933 -5.632 8.368
85 1HB SER 12 2HB SER 12 2.639 -3.701 8.918
86 2HB SER 12 1HB SER 12 3.238 -5.323 8.580
87 HG SER 12 HG SER 12 2.979 -3.191 6.715
88 H SER 13 H SER 13 -0.066 -3.916 5.761
89 HA SER 13 HA SER 13 -1.902 -2.274 7.203
90 1HB SER 13 2HB SER 13 -0.951 -0.056 6.390
91 2HB SER 13 1HB SER 13 -0.053 -0.816 7.701
92 HG SER 13 HG SER 13 1.042 -0.015 5.614
93 H ASN 14 H ASN 14 -3.055 -0.774 5.533
94 HA ASN 14 HA ASN 14 -3.778 -2.327 3.249
95 1HB ASN 14 2HB ASN 14 -4.326 0.453 4.192
96 2HB ASN 14 1HB ASN 14 -4.670 0.079 2.503
97 1HD2 ASN 14 1HD2 ASN 14 -6.904 -0.291 2.417
98 2HD2 ASN 14 2HD2 ASN 14 -7.750 -1.325 3.463
99 H ARG 15 H ARG 15 -1.524 0.392 3.621
100 HA ARG 15 HA ARG 15 -0.968 0.681 0.812
101 1HB ARG 15 2HB ARG 15 0.239 1.648 3.354
102 2HB ARG 15 1HB ARG 15 1.269 1.668 1.922
103 1HG ARG 15 2HG ARG 15 -0.411 2.971 0.700
104 2HG ARG 15 1HG ARG 15 -1.494 2.909 2.091
105 1HD ARG 15 2HD ARG 15 -0.418 4.610 3.119
106 2HD ARG 15 1HD ARG 15 1.164 3.896 2.813
107 HE ARG 15 HE ARG 15 0.100 4.997 0.382
108 1HH1 ARG 15 1HH2 ARG 15 1.517 5.924 3.442
109 2HH1 ARG 15 2HH2 ARG 15 2.164 7.397 2.810
110 1HH2 ARG 15 1HH1 ARG 15 0.954 6.912 -0.394
111 2HH2 ARG 15 2HH1 ARG 15 1.850 7.954 0.662
112 H ASP 16 H ASP 16 -0.106 -1.797 2.983
113 HA ASP 16 HA ASP 16 2.416 -2.445 1.604
114 1HB ASP 16 2HB ASP 16 0.941 -3.489 3.991
115 2HB ASP 16 1HB ASP 16 2.103 -4.544 3.188
116 H CYS 17 H CYS 17 -0.542 -2.648 0.445
117 HA CYS 17 HA CYS 17 -0.220 -5.461 -0.530
118 1HB CYS 17 2HB CYS 17 -2.737 -3.813 -0.168
119 2HB CYS 17 1HB CYS 17 -2.683 -5.386 -0.961
120 H CYS 18 H CYS 18 -1.834 -5.453 -2.729
121 HA CYS 18 HA CYS 18 -0.583 -3.354 -4.461
122 1HB CYS 18 2HB CYS 18 -1.501 -6.127 -5.281
123 2HB CYS 18 1HB CYS 18 -0.624 -4.969 -6.280
124 H GLU 19 H GLU 19 -2.018 -3.416 -6.692
125 HA GLU 19 HA GLU 19 -4.470 -2.106 -6.033
126 1HB GLU 19 2HB GLU 19 -2.957 -2.190 -8.257
127 2HB GLU 19 1HB GLU 19 -4.198 -3.354 -8.723
128 1HG GLU 19 2HG GLU 19 -5.157 -0.836 -7.465
129 2HG GLU 19 1HG GLU 19 -4.487 -0.695 -9.090
130 H LEU 20 H LEU 20 -3.838 -5.393 -7.284
131 HA LEU 20 HA LEU 20 -6.524 -6.258 -7.516
132 1HB LEU 20 2HB LEU 20 -4.290 -7.448 -8.161
133 2HB LEU 20 1HB LEU 20 -4.363 -8.103 -6.525
134 HG LEU 20 HG LEU 20 -6.865 -8.246 -8.130
135 1HD1 LEU 20 1HD1 LEU 20 -5.525 -9.017 -9.883
136 2HD1 LEU 20 2HD1 LEU 20 -5.872 -10.512 -9.013
137 3HD1 LEU 20 3HD1 LEU 20 -4.320 -9.704 -8.793
138 1HD2 LEU 20 1HD2 LEU 20 -5.639 -10.543 -6.674
139 2HD2 LEU 20 2HD2 LEU 20 -7.319 -10.009 -6.716
140 3HD2 LEU 20 3HD2 LEU 20 -6.150 -9.162 -5.702
141 H THR 21 H THR 21 -4.589 -5.713 -4.675
142 HA THR 21 HA THR 21 -6.878 -6.635 -2.986
143 HB THR 21 HB THR 21 -5.202 -7.457 -1.325
144 HG1 THR 21 1HG THR 21 -3.395 -6.940 -3.453
145 1HG2 THR 21 1HG2 THR 21 -5.070 -9.529 -2.306
146 2HG2 THR 21 2HG2 THR 21 -4.458 -8.884 -3.829
147 3HG2 THR 21 3HG2 THR 21 -6.178 -8.777 -3.455
148 HA PRO 22 HA PRO 22 -5.708 -2.316 -1.923
149 1HB PRO 22 2HB PRO 22 -8.268 -1.407 -1.677
150 2HB PRO 22 1HB PRO 22 -7.395 -1.468 -3.216
151 1HG PRO 22 2HG PRO 22 -9.561 -3.219 -2.207
152 2HG PRO 22 1HG PRO 22 -9.143 -2.780 -3.870
153 1HD PRO 22 2HD PRO 22 -8.514 -5.213 -2.608
154 2HD PRO 22 1HD PRO 22 -7.803 -4.609 -4.116
155 H VAL 23 H VAL 23 -6.877 -4.894 -0.178
156 HA VAL 23 HA VAL 23 -7.098 -3.179 2.265
157 HB VAL 23 HB VAL 23 -9.297 -4.105 1.639
158 1HG1 VAL 23 1HG1 VAL 23 -9.357 -6.718 2.239
159 2HG1 VAL 23 2HG1 VAL 23 -7.739 -6.627 1.550
160 3HG1 VAL 23 3HG1 VAL 23 -9.130 -6.124 0.598
161 1HG2 VAL 23 1HG2 VAL 23 -9.882 -4.581 3.820
162 2HG2 VAL 23 2HG2 VAL 23 -8.269 -3.924 4.095
163 3HG2 VAL 23 3HG2 VAL 23 -8.515 -5.670 4.057
164 H CYS 24 H CYS 24 -6.120 -3.944 4.140
165 HA CYS 24 HA CYS 24 -4.418 -6.389 3.848
166 1HB CYS 24 2HB CYS 24 -3.030 -4.360 3.708
167 2HB CYS 24 1HB CYS 24 -3.726 -3.760 5.210
168 H LYS 25 H LYS 25 -5.760 -7.743 5.037
169 HA LYS 25 HA LYS 25 -6.215 -6.947 7.891
170 1HB LYS 25 2HB LYS 25 -8.081 -8.178 5.894
171 2HB LYS 25 1HB LYS 25 -8.246 -8.617 7.594
172 1HG LYS 25 2HG LYS 25 -8.199 -6.083 8.066
173 2HG LYS 25 1HG LYS 25 -8.488 -5.884 6.338
174 1HD LYS 25 2HD LYS 25 -10.237 -7.824 7.763
175 2HD LYS 25 1HD LYS 25 -10.497 -6.116 8.119
176 1HE LYS 25 2HE LYS 25 -10.560 -5.720 5.609
177 2HE LYS 25 1HE LYS 25 -10.606 -7.472 5.416
178 1HZ LYS 25 1HZ LYS 25 -12.595 -7.527 6.798
179 2HZ LYS 25 2HZ LYS 25 -12.827 -6.553 5.425
180 3HZ LYS 25 3HZ LYS 25 -12.559 -5.837 6.942
181 H ARG 26 H ARG 26 -5.919 -8.594 9.429
182 HA ARG 26 HA ARG 26 -4.980 -10.543 10.322
183 1HB ARG 26 2HB ARG 26 -6.299 -11.461 7.802
184 2HB ARG 26 1HB ARG 26 -5.183 -12.573 8.596
185 1HG ARG 26 2HG ARG 26 -6.558 -11.786 10.758
186 2HG ARG 26 1HG ARG 26 -7.809 -11.525 9.542
187 1HD ARG 26 2HD ARG 26 -6.310 -14.088 9.371
188 2HD ARG 26 1HD ARG 26 -7.421 -13.915 10.729
189 HE ARG 26 HE ARG 26 -8.679 -13.114 8.254
190 1HH1 ARG 26 1HH2 ARG 26 -7.720 -15.904 10.134
191 2HH1 ARG 26 2HH2 ARG 26 -8.943 -16.913 9.445
192 1HH2 ARG 26 1HH1 ARG 26 -10.245 -14.456 7.389
193 2HH2 ARG 26 2HH1 ARG 26 -10.358 -16.104 7.907
194 H GLY 27 H GLY 27 -3.289 -8.684 8.835
195 1HA GLY 27 2HA GLY 27 -1.075 -8.570 8.070
196 2HA GLY 27 1HA GLY 27 -0.872 -10.187 8.739
197 H SER 28 H SER 28 -3.275 -9.498 6.282
198 HA SER 28 HA SER 28 -1.540 -10.665 4.178
199 1HB SER 28 2HB SER 28 -4.098 -11.837 5.233
200 2HB SER 28 1HB SER 28 -3.666 -12.063 3.541
201 HG SER 28 HG SER 28 -2.802 -13.743 4.743
202 H CYS 29 H CYS 29 -2.660 -10.457 1.982
203 HA CYS 29 HA CYS 29 -4.225 -7.910 1.957
204 1HB CYS 29 2HB CYS 29 -2.535 -9.199 -0.211
205 2HB CYS 29 1HB CYS 29 -3.437 -7.696 -0.395
206 H VAL 30 H VAL 30 -6.202 -7.837 0.892
207 HA VAL 30 HA VAL 30 -7.002 -10.077 -0.824
208 HB VAL 30 HB VAL 30 -9.028 -10.606 0.432
209 1HG1 VAL 30 1HG1 VAL 30 -8.007 -11.753 2.309
210 2HG1 VAL 30 2HG1 VAL 30 -6.634 -10.647 2.291
211 3HG1 VAL 30 3HG1 VAL 30 -6.871 -11.780 0.960
212 1HG2 VAL 30 1HG2 VAL 30 -8.008 -8.452 2.294
213 2HG2 VAL 30 2HG2 VAL 30 -9.187 -9.659 2.808
214 3HG2 VAL 30 3HG2 VAL 30 -9.579 -8.545 1.497
215 H SER 31 H SER 31 -9.572 -9.548 -1.255
216 HA SER 31 HA SER 31 -9.482 -6.927 -2.544
217 1HB SER 31 2HB SER 31 -11.292 -9.302 -2.642
218 2HB SER 31 1HB SER 31 -11.931 -7.747 -3.166
219 HG SER 31 HG SER 31 -10.934 -8.199 -4.960
220 H SER 32 H SER 32 -10.112 -5.131 -1.512
221 HA SER 32 HA SER 32 -11.444 -5.108 1.021
222 1HB SER 32 2HB SER 32 -11.487 -2.730 0.798
223 2HB SER 32 1HB SER 32 -10.016 -3.254 -0.017
224 HG SER 32 HG SER 32 -11.096 -1.849 -1.367
225 H GLY 33 H GLY 33 -12.661 -4.367 -2.261
226 1HA GLY 33 2HA GLY 33 -14.824 -4.749 -3.133
227 2HA GLY 33 1HA GLY 33 -15.291 -5.447 -1.582
228 HA PRO 34 HA PRO 34 -16.650 -0.875 -1.864
229 1HB PRO 34 2HB PRO 34 -18.853 -0.931 -3.472
230 2HB PRO 34 1HB PRO 34 -17.218 -0.637 -4.081
231 1HG PRO 34 2HG PRO 34 -18.928 -3.011 -4.392
232 2HG PRO 34 1HG PRO 34 -17.558 -2.472 -5.372
233 1HD PRO 34 2HD PRO 34 -17.569 -4.531 -3.381
234 2HD PRO 34 1HD PRO 34 -16.177 -3.922 -4.305
235 H GLY 35 H GLY 35 -17.153 -1.861 0.337
236 1HA GLY 35 2HA GLY 35 -19.050 -1.496 1.886
237 2HA GLY 35 1HA GLY 35 -20.108 -2.192 0.656
238 H LEU 36 H LEU 36 -18.229 -2.870 3.410
239 HA LEU 36 HA LEU 36 -17.895 -5.736 2.840
240 1HB LEU 36 2HB LEU 36 -17.160 -3.877 5.066
241 2HB LEU 36 1HB LEU 36 -17.298 -5.597 5.436
242 HG LEU 36 HG LEU 36 -15.783 -4.847 2.979
243 1HD1 LEU 36 1HD1 LEU 36 -14.963 -3.234 4.664
244 2HD1 LEU 36 2HD1 LEU 36 -13.736 -4.446 4.294
245 3HD1 LEU 36 3HD1 LEU 36 -14.669 -4.562 5.787
246 1HD2 LEU 36 1HD2 LEU 36 -14.549 -6.826 3.521
247 2HD2 LEU 36 2HD2 LEU 36 -16.240 -7.208 3.850
248 3HD2 LEU 36 3HD2 LEU 36 -15.147 -6.825 5.181
249 H VAL 37 H VAL 37 -19.772 -6.895 2.846
250 HA VAL 37 HA VAL 37 -21.864 -6.251 4.857
251 HB VAL 37 HB VAL 37 -21.971 -8.217 2.550
252 1HG1 VAL 37 1HG1 VAL 37 -24.221 -8.472 3.035
253 2HG1 VAL 37 2HG1 VAL 37 -24.346 -6.884 3.791
254 3HG1 VAL 37 3HG1 VAL 37 -23.590 -8.218 4.661
255 1HG2 VAL 37 1HG2 VAL 37 -21.713 -6.137 1.483
256 2HG2 VAL 37 2HG2 VAL 37 -22.582 -5.273 2.752
257 3HG2 VAL 37 3HG2 VAL 37 -23.466 -6.289 1.612
258 H GLY 38 H GLY 38 -19.760 -8.899 3.784
259 1HA GLY 38 2HA GLY 38 -20.735 -10.625 5.984
260 2HA GLY 38 1HA GLY 38 -19.608 -11.108 4.715
261 H GLY 39 H GLY 39 -17.380 -10.424 4.898
262 1HA GLY 39 2HA GLY 39 -15.486 -9.541 6.064
263 2HA GLY 39 1HA GLY 39 -16.535 -9.155 7.428
264 H ILE 40 H ILE 40 -14.529 -10.241 8.491
265 HA ILE 40 HA ILE 40 -14.747 -13.210 8.444
266 HB ILE 40 HB ILE 40 -12.683 -11.482 9.836
267 1HG1 ILE 40 2HG1 ILE 40 -12.639 -11.100 7.394
268 2HG1 ILE 40 1HG1 ILE 40 -11.215 -11.998 7.915
269 1HG2 ILE 40 1HG2 ILE 40 -12.403 -13.538 10.823
270 2HG2 ILE 40 2HG2 ILE 40 -11.461 -13.827 9.360
271 3HG2 ILE 40 3HG2 ILE 40 -13.125 -14.405 9.467
272 1HD1 ILE 40 1HD1 ILE 40 -12.368 -14.120 7.253
273 2HD1 ILE 40 2HD1 ILE 40 -12.105 -13.029 5.892
274 3HD1 ILE 40 3HD1 ILE 40 -13.704 -13.157 6.623
275 H LEU 41 H LEU 41 -16.803 -11.577 9.702
276 HA LEU 41 HA LEU 41 -16.361 -12.256 12.582
277 1HB LEU 41 2HB LEU 41 -17.987 -10.111 11.223
278 2HB LEU 41 1HB LEU 41 -18.357 -10.619 12.871
279 HG LEU 41 HG LEU 41 -15.518 -9.966 12.173
280 1HD1 LEU 41 1HD1 LEU 41 -16.929 -8.095 11.285
281 2HD1 LEU 41 2HD1 LEU 41 -15.890 -7.604 12.623
282 3HD1 LEU 41 3HD1 LEU 41 -17.608 -7.893 12.901
283 1HD2 LEU 41 1HD2 LEU 41 -16.464 -10.906 14.413
284 2HD2 LEU 41 2HD2 LEU 41 -17.068 -9.268 14.664
285 3HD2 LEU 41 3HD2 LEU 41 -15.336 -9.553 14.487
286 H GLY 42 H GLY 42 -17.034 -14.471 12.202
287 1HA GLY 42 2HA GLY 42 -19.588 -15.197 12.884
288 2HA GLY 42 1HA GLY 42 -19.709 -15.001 11.135
289 H GLY 43 H GLY 43 -18.915 -16.617 9.825
290 1HA GLY 43 2HA GLY 43 -17.731 -18.578 9.217
291 2HA GLY 43 1HA GLY 43 -16.995 -18.588 10.818
292 H ILE 44 H ILE 44 -20.459 -18.368 10.378
293 HA ILE 44 HA ILE 44 -22.194 -19.810 11.006
294 HB ILE 44 HB ILE 44 -20.160 -21.983 10.414
295 1HG1 ILE 44 2HG1 ILE 44 -22.270 -21.172 8.465
296 2HG1 ILE 44 1HG1 ILE 44 -20.877 -20.103 8.630
297 1HG2 ILE 44 1HG2 ILE 44 -23.164 -21.920 10.721
298 2HG2 ILE 44 2HG2 ILE 44 -22.004 -22.973 11.529
299 3HG2 ILE 44 3HG2 ILE 44 -22.355 -23.200 9.817
300 1HD1 ILE 44 1HD1 ILE 44 -20.736 -22.028 6.892
301 2HD1 ILE 44 2HD1 ILE 44 -20.504 -23.074 8.293
302 3HD1 ILE 44 3HD1 ILE 44 -19.358 -21.774 7.962
303 H LEU 45 H LEU 45 -22.831 -21.348 12.754
304 HA LEU 45 HA LEU 45 -20.902 -21.206 15.036
305 1HB LEU 45 2HB LEU 45 -23.917 -21.077 14.918
306 2HB LEU 45 1HB LEU 45 -23.070 -21.471 16.415
307 HG LEU 45 HG LEU 45 -21.657 -19.327 15.847
308 1HD1 LEU 45 1HD1 LEU 45 -23.464 -17.676 14.810
309 2HD1 LEU 45 2HD1 LEU 45 -24.044 -19.157 14.048
310 3HD1 LEU 45 3HD1 LEU 45 -22.390 -18.611 13.768
311 1HD2 LEU 45 1HD2 LEU 45 -23.258 -19.683 17.772
312 2HD2 LEU 45 2HD2 LEU 45 -24.536 -19.024 16.751
313 3HD2 LEU 45 3HD2 LEU 45 -23.164 -18.014 17.209
Start of MODEL 4
1 1H LEU 1 1HT LEU 1 3.915 -0.749 -15.105
2 2H LEU 1 2HT LEU 1 4.762 -1.304 -13.741
3 3H LEU 1 3HT LEU 1 5.179 0.179 -14.458
4 HA LEU 1 HA LEU 1 3.338 1.272 -13.643
5 1HB LEU 1 2HB LEU 1 2.190 -1.500 -13.586
6 2HB LEU 1 1HB LEU 1 1.497 -0.264 -12.535
7 HG LEU 1 HG LEU 1 1.971 0.343 -15.441
8 1HD1 LEU 1 1HD1 LEU 1 -0.660 -0.748 -14.484
9 2HD1 LEU 1 2HD1 LEU 1 0.612 -1.860 -14.992
10 3HD1 LEU 1 3HD1 LEU 1 -0.022 -0.668 -16.126
11 1HD2 LEU 1 1HD2 LEU 1 0.420 2.058 -15.076
12 2HD2 LEU 1 2HD2 LEU 1 1.244 1.982 -13.518
13 3HD2 LEU 1 3HD2 LEU 1 -0.334 1.221 -13.719
14 H LEU 2 H LEU 2 2.358 1.217 -11.239
15 HA LEU 2 HA LEU 2 4.327 -0.051 -9.397
16 1HB LEU 2 2HB LEU 2 4.431 2.099 -8.112
17 2HB LEU 2 1HB LEU 2 5.141 2.220 -9.723
18 HG LEU 2 HG LEU 2 2.237 2.834 -9.484
19 1HD1 LEU 2 1HD1 LEU 2 3.556 3.936 -7.522
20 2HD1 LEU 2 2HD1 LEU 2 2.514 4.958 -8.514
21 3HD1 LEU 2 3HD1 LEU 2 4.258 4.954 -8.781
22 1HD2 LEU 2 1HD2 LEU 2 4.312 4.500 -10.868
23 2HD2 LEU 2 2HD2 LEU 2 2.655 4.145 -11.359
24 3HD2 LEU 2 3HD2 LEU 2 3.911 2.920 -11.541
25 H ALA 3 H ALA 3 1.619 -0.808 -9.983
26 HA ALA 3 HA ALA 3 0.109 0.099 -7.583
27 1HB ALA 3 1HB ALA 3 -0.913 -1.684 -9.800
28 2HB ALA 3 2HB ALA 3 -0.929 0.075 -9.929
29 3HB ALA 3 3HB ALA 3 -1.853 -0.724 -8.657
30 H CYS 4 H CYS 4 2.344 -1.608 -7.164
31 HA CYS 4 HA CYS 4 1.195 -3.639 -5.541
32 1HB CYS 4 2HB CYS 4 0.714 -4.698 -7.751
33 2HB CYS 4 1HB CYS 4 2.435 -4.660 -8.119
34 H LEU 5 H LEU 5 2.695 -2.963 -4.037
35 HA LEU 5 HA LEU 5 5.517 -2.640 -4.648
36 1HB LEU 5 2HB LEU 5 4.248 -2.994 -1.918
37 2HB LEU 5 1HB LEU 5 5.803 -2.244 -2.280
38 HG LEU 5 HG LEU 5 3.127 -1.207 -3.253
39 1HD1 LEU 5 1HD1 LEU 5 4.900 -0.403 -0.938
40 2HD1 LEU 5 2HD1 LEU 5 3.201 -0.868 -0.884
41 3HD1 LEU 5 3HD1 LEU 5 3.671 0.667 -1.612
42 1HD2 LEU 5 1HD2 LEU 5 4.976 -0.612 -4.736
43 2HD2 LEU 5 2HD2 LEU 5 5.945 -0.084 -3.360
44 3HD2 LEU 5 3HD2 LEU 5 4.495 0.813 -3.814
45 H PHE 6 H PHE 6 3.497 -5.239 -3.432
46 HA PHE 6 HA PHE 6 5.790 -7.091 -3.736
47 1HB PHE 6 2HB PHE 6 4.156 -6.783 -1.205
48 2HB PHE 6 1HB PHE 6 5.171 -8.184 -1.544
49 HD1 PHE 6 1HD PHE 6 5.096 -4.883 -0.198
50 HD2 PHE 6 2HD PHE 6 7.654 -7.702 -2.189
51 HE1 PHE 6 1HE PHE 6 7.087 -3.637 0.597
52 HE2 PHE 6 2HE PHE 6 9.646 -6.457 -1.393
53 HZ PHE 6 HZ PHE 6 9.362 -4.424 0.000
54 H GLY 7 H GLY 7 2.609 -7.534 -2.216
55 1HA GLY 7 2HA GLY 7 0.682 -8.622 -3.090
56 2HA GLY 7 1HA GLY 7 1.550 -8.884 -4.604
57 H ASN 8 H ASN 8 2.924 -9.736 -1.487
58 HA ASN 8 HA ASN 8 3.085 -12.551 -2.371
59 1HB ASN 8 2HB ASN 8 4.394 -10.897 -0.243
60 2HB ASN 8 1HB ASN 8 4.353 -12.650 -0.051
61 1HD2 ASN 8 1HD2 ASN 8 6.224 -13.586 -0.865
62 2HD2 ASN 8 2HD2 ASN 8 7.073 -13.049 -2.233
63 H GLY 9 H GLY 9 0.608 -10.981 -1.088
64 1HA GLY 9 2HA GLY 9 -1.293 -11.845 -0.007
65 2HA GLY 9 1HA GLY 9 -0.400 -13.330 0.293
66 H ARG 10 H ARG 10 1.630 -10.951 1.393
67 HA ARG 10 HA ARG 10 0.375 -10.940 4.106
68 1HB ARG 10 2HB ARG 10 2.705 -11.069 5.023
69 2HB ARG 10 1HB ARG 10 2.224 -12.519 4.138
70 1HG ARG 10 2HG ARG 10 3.347 -11.609 2.114
71 2HG ARG 10 1HG ARG 10 3.906 -10.239 3.065
72 1HD ARG 10 2HD ARG 10 4.756 -12.234 4.661
73 2HD ARG 10 1HD ARG 10 4.815 -13.074 3.112
74 HE ARG 10 HE ARG 10 6.071 -10.634 2.636
75 1HH1 ARG 10 1HH2 ARG 10 6.521 -13.296 4.862
76 2HH1 ARG 10 2HH2 ARG 10 8.228 -13.043 4.974
77 1HH2 ARG 10 1HH1 ARG 10 8.282 -10.344 2.812
78 2HH2 ARG 10 2HH1 ARG 10 9.216 -11.391 3.828
79 H CYS 11 H CYS 11 0.405 -8.981 5.137
80 HA CYS 11 HA CYS 11 2.141 -6.805 4.138
81 1HB CYS 11 2HB CYS 11 0.158 -5.260 3.959
82 2HB CYS 11 1HB CYS 11 0.223 -6.501 2.718
83 H SER 12 H SER 12 1.904 -4.825 5.489
84 HA SER 12 HA SER 12 1.293 -5.557 8.318
85 1HB SER 12 2HB SER 12 3.639 -4.621 7.379
86 2HB SER 12 1HB SER 12 2.827 -3.088 7.679
87 HG SER 12 HG SER 12 3.985 -3.915 9.510
88 H SER 13 H SER 13 0.575 -3.389 5.715
89 HA SER 13 HA SER 13 -1.706 -2.289 7.223
90 1HB SER 13 2HB SER 13 -1.002 0.029 6.212
91 2HB SER 13 1HB SER 13 -0.244 -0.517 7.705
92 HG SER 13 HG SER 13 0.808 -0.196 5.177
93 H ASN 14 H ASN 14 -2.874 -0.695 5.482
94 HA ASN 14 HA ASN 14 -3.658 -2.388 3.304
95 1HB ASN 14 2HB ASN 14 -4.216 0.426 4.138
96 2HB ASN 14 1HB ASN 14 -4.605 -0.031 2.479
97 1HD2 ASN 14 1HD2 ASN 14 -6.855 -0.354 2.525
98 2HD2 ASN 14 2HD2 ASN 14 -7.650 -1.376 3.623
99 H ARG 15 H ARG 15 -1.419 0.357 3.510
100 HA ARG 15 HA ARG 15 -0.963 0.583 0.682
101 1HB ARG 15 2HB ARG 15 0.592 1.466 3.111
102 2HB ARG 15 1HB ARG 15 1.196 1.742 1.477
103 1HG ARG 15 2HG ARG 15 -1.096 2.795 0.983
104 2HG ARG 15 1HG ARG 15 -1.337 2.806 2.731
105 1HD ARG 15 2HD ARG 15 0.373 4.345 3.095
106 2HD ARG 15 1HD ARG 15 1.204 3.930 1.596
107 HE ARG 15 HE ARG 15 -0.910 5.905 1.886
108 1HH1 ARG 15 1HH2 ARG 15 0.580 3.623 -0.307
109 2HH1 ARG 15 2HH2 ARG 15 0.064 4.485 -1.713
110 1HH2 ARG 15 1HH1 ARG 15 -1.559 6.987 0.039
111 2HH2 ARG 15 2HH1 ARG 15 -1.135 6.369 -1.523
112 H ASP 16 H ASP 16 -0.016 -1.874 2.844
113 HA ASP 16 HA ASP 16 2.466 -2.517 1.393
114 1HB ASP 16 2HB ASP 16 1.076 -3.516 3.827
115 2HB ASP 16 1HB ASP 16 2.145 -4.635 2.984
116 H CYS 17 H CYS 17 -0.532 -2.741 0.318
117 HA CYS 17 HA CYS 17 -0.229 -5.558 -0.652
118 1HB CYS 17 2HB CYS 17 -2.727 -3.874 -0.316
119 2HB CYS 17 1HB CYS 17 -2.688 -5.470 -1.067
120 H CYS 18 H CYS 18 -1.820 -5.583 -2.840
121 HA CYS 18 HA CYS 18 -0.580 -3.514 -4.614
122 1HB CYS 18 2HB CYS 18 -1.536 -6.291 -5.364
123 2HB CYS 18 1HB CYS 18 -0.686 -5.158 -6.411
124 H GLU 19 H GLU 19 -2.047 -3.607 -6.828
125 HA GLU 19 HA GLU 19 -4.479 -2.261 -6.162
126 1HB GLU 19 2HB GLU 19 -3.010 -2.345 -8.392
127 2HB GLU 19 1HB GLU 19 -4.197 -3.570 -8.829
128 1HG GLU 19 2HG GLU 19 -6.016 -2.053 -8.568
129 2HG GLU 19 1HG GLU 19 -4.988 -0.865 -7.773
130 H LEU 20 H LEU 20 -3.894 -5.575 -7.367
131 HA LEU 20 HA LEU 20 -6.593 -6.413 -7.551
132 1HB LEU 20 2HB LEU 20 -4.066 -7.942 -6.892
133 2HB LEU 20 1HB LEU 20 -5.626 -8.731 -7.119
134 HG LEU 20 HG LEU 20 -5.618 -7.228 -9.339
135 1HD1 LEU 20 1HD1 LEU 20 -3.582 -6.133 -9.312
136 2HD1 LEU 20 2HD1 LEU 20 -3.104 -7.612 -10.145
137 3HD1 LEU 20 3HD1 LEU 20 -2.779 -7.427 -8.422
138 1HD2 LEU 20 1HD2 LEU 20 -4.269 -9.896 -8.859
139 2HD2 LEU 20 2HD2 LEU 20 -4.534 -9.245 -10.476
140 3HD2 LEU 20 3HD2 LEU 20 -5.910 -9.603 -9.434
141 H THR 21 H THR 21 -4.617 -5.846 -4.740
142 HA THR 21 HA THR 21 -6.890 -6.747 -3.016
143 HB THR 21 HB THR 21 -5.182 -7.510 -1.351
144 HG1 THR 21 1HG THR 21 -3.384 -7.184 -3.520
145 1HG2 THR 21 1HG2 THR 21 -5.036 -9.612 -2.283
146 2HG2 THR 21 2HG2 THR 21 -4.513 -8.995 -3.850
147 3HG2 THR 21 3HG2 THR 21 -6.212 -8.903 -3.390
148 HA PRO 22 HA PRO 22 -5.753 -2.393 -2.060
149 1HB PRO 22 2HB PRO 22 -8.320 -1.502 -1.824
150 2HB PRO 22 1HB PRO 22 -7.454 -1.593 -3.364
151 1HG PRO 22 2HG PRO 22 -9.595 -3.343 -2.301
152 2HG PRO 22 1HG PRO 22 -9.197 -2.934 -3.975
153 1HD PRO 22 2HD PRO 22 -8.533 -5.334 -2.676
154 2HD PRO 22 1HD PRO 22 -7.831 -4.747 -4.195
155 H VAL 23 H VAL 23 -6.887 -4.937 -0.244
156 HA VAL 23 HA VAL 23 -7.101 -3.158 2.156
157 HB VAL 23 HB VAL 23 -9.305 -4.150 1.490
158 1HG1 VAL 23 1HG1 VAL 23 -7.747 -6.538 1.307
159 2HG1 VAL 23 2HG1 VAL 23 -9.456 -6.318 0.947
160 3HG1 VAL 23 3HG1 VAL 23 -8.952 -6.765 2.573
161 1HG2 VAL 23 1HG2 VAL 23 -8.459 -5.343 4.113
162 2HG2 VAL 23 2HG2 VAL 23 -9.947 -4.484 3.712
163 3HG2 VAL 23 3HG2 VAL 23 -8.436 -3.593 3.898
164 H CYS 24 H CYS 24 -6.132 -3.888 4.052
165 HA CYS 24 HA CYS 24 -4.422 -6.332 3.801
166 1HB CYS 24 2HB CYS 24 -3.063 -4.269 3.700
167 2HB CYS 24 1HB CYS 24 -3.778 -3.714 5.210
168 H LYS 25 H LYS 25 -5.805 -7.687 4.946
169 HA LYS 25 HA LYS 25 -6.353 -6.896 7.787
170 1HB LYS 25 2HB LYS 25 -8.095 -8.488 5.884
171 2HB LYS 25 1HB LYS 25 -8.408 -8.337 7.612
172 1HG LYS 25 2HG LYS 25 -7.937 -5.784 6.180
173 2HG LYS 25 1HG LYS 25 -9.421 -6.632 5.747
174 1HD LYS 25 2HD LYS 25 -10.240 -5.513 7.570
175 2HD LYS 25 1HD LYS 25 -9.538 -6.879 8.435
176 1HE LYS 25 2HE LYS 25 -7.604 -5.654 9.035
177 2HE LYS 25 1HE LYS 25 -7.916 -4.409 7.827
178 1HZ LYS 25 1HZ LYS 25 -8.594 -3.452 9.815
179 2HZ LYS 25 2HZ LYS 25 -9.306 -4.884 10.388
180 3HZ LYS 25 3HZ LYS 25 -10.048 -4.002 9.139
181 H ARG 26 H ARG 26 -6.031 -8.503 9.348
182 HA ARG 26 HA ARG 26 -5.076 -10.424 10.287
183 1HB ARG 26 2HB ARG 26 -6.356 -11.402 7.771
184 2HB ARG 26 1HB ARG 26 -5.238 -12.488 8.598
185 1HG ARG 26 2HG ARG 26 -6.533 -12.033 10.729
186 2HG ARG 26 1HG ARG 26 -7.734 -11.207 9.735
187 1HD ARG 26 2HD ARG 26 -8.651 -13.315 9.687
188 2HD ARG 26 1HD ARG 26 -7.543 -13.484 8.326
189 HE ARG 26 HE ARG 26 -6.085 -14.207 10.620
190 1HH1 ARG 26 1HH2 ARG 26 -8.933 -15.304 8.911
191 2HH1 ARG 26 2HH2 ARG 26 -8.718 -16.947 9.403
192 1HH2 ARG 26 1HH1 ARG 26 -5.845 -16.346 11.233
193 2HH2 ARG 26 2HH1 ARG 26 -6.990 -17.533 10.703
194 H GLY 27 H GLY 27 -3.380 -8.577 8.806
195 1HA GLY 27 2HA GLY 27 -1.161 -8.453 8.054
196 2HA GLY 27 1HA GLY 27 -0.950 -10.059 8.751
197 H SER 28 H SER 28 -3.337 -9.431 6.260
198 HA SER 28 HA SER 28 -1.572 -10.625 4.196
199 1HB SER 28 2HB SER 28 -4.113 -11.795 5.274
200 2HB SER 28 1HB SER 28 -3.731 -12.011 3.567
201 HG SER 28 HG SER 28 -2.113 -13.281 4.088
202 H CYS 29 H CYS 29 -2.675 -10.466 1.985
203 HA CYS 29 HA CYS 29 -4.228 -7.912 1.891
204 1HB CYS 29 2HB CYS 29 -2.517 -9.257 -0.227
205 2HB CYS 29 1HB CYS 29 -3.414 -7.758 -0.459
206 H VAL 30 H VAL 30 -6.214 -7.868 0.869
207 HA VAL 30 HA VAL 30 -7.020 -10.110 -0.847
208 HB VAL 30 HB VAL 30 -9.030 -10.650 0.434
209 1HG1 VAL 30 1HG1 VAL 30 -7.990 -11.832 2.251
210 2HG1 VAL 30 2HG1 VAL 30 -6.653 -10.683 2.309
211 3HG1 VAL 30 3HG1 VAL 30 -6.817 -11.777 0.935
212 1HG2 VAL 30 1HG2 VAL 30 -9.230 -9.706 2.778
213 2HG2 VAL 30 2HG2 VAL 30 -9.527 -8.541 1.487
214 3HG2 VAL 30 3HG2 VAL 30 -7.982 -8.539 2.339
215 H SER 31 H SER 31 -9.614 -9.597 -1.214
216 HA SER 31 HA SER 31 -9.575 -7.008 -2.553
217 1HB SER 31 2HB SER 31 -12.044 -7.789 -3.051
218 2HB SER 31 1HB SER 31 -10.690 -8.582 -3.852
219 HG SER 31 HG SER 31 -11.600 -10.292 -2.994
220 H SER 32 H SER 32 -10.059 -5.186 -1.485
221 HA SER 32 HA SER 32 -11.189 -5.019 1.107
222 1HB SER 32 2HB SER 32 -11.336 -2.658 0.736
223 2HB SER 32 1HB SER 32 -9.925 -3.208 -0.163
224 HG SER 32 HG SER 32 -12.293 -2.151 -1.050
225 H GLY 33 H GLY 33 -12.738 -5.167 -2.047
226 1HA GLY 33 2HA GLY 33 -15.304 -5.788 -0.824
227 2HA GLY 33 1HA GLY 33 -15.291 -4.195 -1.582
228 HA PRO 34 HA PRO 34 -15.758 -6.168 -5.543
229 1HB PRO 34 2HB PRO 34 -14.420 -4.442 -7.180
230 2HB PRO 34 1HB PRO 34 -15.957 -4.043 -6.399
231 1HG PRO 34 2HG PRO 34 -13.260 -3.024 -5.835
232 2HG PRO 34 1HG PRO 34 -14.835 -2.328 -5.428
233 1HD PRO 34 2HD PRO 34 -13.056 -3.782 -3.698
234 2HD PRO 34 1HD PRO 34 -14.652 -3.107 -3.302
235 H GLY 35 H GLY 35 -14.621 -8.136 -5.582
236 1HA GLY 35 2HA GLY 35 -11.823 -8.003 -6.630
237 2HA GLY 35 1HA GLY 35 -12.267 -9.147 -5.362
238 H LEU 36 H LEU 36 -14.710 -10.073 -6.243
239 HA LEU 36 HA LEU 36 -15.644 -11.678 -7.666
240 1HB LEU 36 2HB LEU 36 -15.704 -9.704 -9.188
241 2HB LEU 36 1HB LEU 36 -14.107 -10.150 -9.782
242 HG LEU 36 HG LEU 36 -15.310 -12.504 -10.161
243 1HD1 LEU 36 1HD1 LEU 36 -17.439 -11.444 -9.143
244 2HD1 LEU 36 2HD1 LEU 36 -17.621 -12.352 -10.643
245 3HD1 LEU 36 3HD1 LEU 36 -17.584 -10.589 -10.679
246 1HD2 LEU 36 1HD2 LEU 36 -16.011 -10.367 -12.146
247 2HD2 LEU 36 2HD2 LEU 36 -15.327 -11.968 -12.425
248 3HD2 LEU 36 3HD2 LEU 36 -14.310 -10.672 -11.795
249 H VAL 37 H VAL 37 -13.761 -12.888 -6.358
250 HA VAL 37 HA VAL 37 -11.899 -14.123 -8.345
251 HB VAL 37 HB VAL 37 -10.617 -14.872 -6.317
252 1HG1 VAL 37 1HG1 VAL 37 -10.482 -12.527 -7.628
253 2HG1 VAL 37 2HG1 VAL 37 -9.436 -12.900 -6.258
254 3HG1 VAL 37 3HG1 VAL 37 -10.882 -11.919 -6.021
255 1HG2 VAL 37 1HG2 VAL 37 -12.817 -14.517 -4.892
256 2HG2 VAL 37 2HG2 VAL 37 -12.196 -12.875 -4.724
257 3HG2 VAL 37 3HG2 VAL 37 -11.237 -14.244 -4.160
258 H GLY 38 H GLY 38 -11.318 -16.496 -7.239
259 1HA GLY 38 2HA GLY 38 -13.708 -18.058 -7.689
260 2HA GLY 38 1HA GLY 38 -12.147 -18.695 -7.167
261 H GLY 39 H GLY 39 -15.147 -18.849 -6.205
262 1HA GLY 39 2HA GLY 39 -14.601 -18.247 -3.329
263 2HA GLY 39 1HA GLY 39 -16.214 -18.355 -4.036
264 H ILE 40 H ILE 40 -17.131 -20.096 -3.024
265 HA ILE 40 HA ILE 40 -15.590 -22.663 -3.057
266 HB ILE 40 HB ILE 40 -17.768 -21.877 -1.101
267 1HG1 ILE 40 2HG1 ILE 40 -15.784 -20.439 -0.800
268 2HG1 ILE 40 1HG1 ILE 40 -15.938 -21.577 0.536
269 1HG2 ILE 40 1HG2 ILE 40 -16.418 -23.826 0.124
270 2HG2 ILE 40 2HG2 ILE 40 -16.043 -24.278 -1.539
271 3HG2 ILE 40 3HG2 ILE 40 -17.722 -24.183 -1.009
272 1HD1 ILE 40 1HD1 ILE 40 -13.807 -21.329 -1.467
273 2HD1 ILE 40 2HD1 ILE 40 -14.395 -22.982 -1.289
274 3HD1 ILE 40 3HD1 ILE 40 -13.776 -22.111 0.113
275 H LEU 41 H LEU 41 -17.321 -21.596 -5.170
276 HA LEU 41 HA LEU 41 -19.597 -23.532 -5.033
277 1HB LEU 41 2HB LEU 41 -19.244 -21.034 -6.719
278 2HB LEU 41 1HB LEU 41 -20.623 -22.129 -6.823
279 HG LEU 41 HG LEU 41 -19.815 -20.893 -4.193
280 1HD1 LEU 41 1HD1 LEU 41 -20.336 -19.248 -6.215
281 2HD1 LEU 41 2HD1 LEU 41 -21.007 -18.949 -4.611
282 3HD1 LEU 41 3HD1 LEU 41 -22.002 -19.704 -5.857
283 1HD2 LEU 41 1HD2 LEU 41 -21.912 -21.604 -3.469
284 2HD2 LEU 41 2HD2 LEU 41 -21.517 -22.875 -4.627
285 3HD2 LEU 41 3HD2 LEU 41 -22.599 -21.562 -5.093
286 H GLY 42 H GLY 42 -19.582 -25.215 -6.457
287 1HA GLY 42 2HA GLY 42 -17.279 -25.785 -8.059
288 2HA GLY 42 1HA GLY 42 -18.814 -26.652 -8.145
289 H GLY 43 H GLY 43 -20.050 -26.347 -9.942
290 1HA GLY 43 2HA GLY 43 -20.662 -24.114 -11.388
291 2HA GLY 43 1HA GLY 43 -19.071 -24.531 -12.029
292 H ILE 44 H ILE 44 -22.406 -25.200 -12.206
293 HA ILE 44 HA ILE 44 -21.901 -27.718 -13.735
294 HB ILE 44 HB ILE 44 -24.532 -26.673 -12.651
295 1HG1 ILE 44 2HG1 ILE 44 -22.959 -27.176 -10.812
296 2HG1 ILE 44 1HG1 ILE 44 -24.258 -28.366 -10.870
297 1HG2 ILE 44 1HG2 ILE 44 -23.749 -29.440 -13.610
298 2HG2 ILE 44 2HG2 ILE 44 -24.608 -28.258 -14.597
299 3HG2 ILE 44 3HG2 ILE 44 -25.359 -28.900 -13.137
300 1HD1 ILE 44 1HD1 ILE 44 -21.434 -28.706 -11.924
301 2HD1 ILE 44 2HD1 ILE 44 -22.733 -29.868 -12.194
302 3HD1 ILE 44 3HD1 ILE 44 -22.163 -29.548 -10.556
303 H LEU 45 H LEU 45 -23.273 -24.487 -13.894
304 HA LEU 45 HA LEU 45 -23.595 -24.856 -16.843
305 1HB LEU 45 2HB LEU 45 -25.463 -23.364 -14.974
306 2HB LEU 45 1HB LEU 45 -25.582 -23.358 -16.734
307 HG LEU 45 HG LEU 45 -25.457 -26.010 -15.367
308 1HD1 LEU 45 1HD1 LEU 45 -28.115 -25.689 -15.386
309 2HD1 LEU 45 2HD1 LEU 45 -27.659 -24.011 -15.089
310 3HD1 LEU 45 3HD1 LEU 45 -27.143 -25.276 -13.973
311 1HD2 LEU 45 1HD2 LEU 45 -26.573 -24.783 -17.861
312 2HD2 LEU 45 2HD2 LEU 45 -27.346 -26.238 -17.230
313 3HD2 LEU 45 3HD2 LEU 45 -25.637 -26.265 -17.666
Start of MODEL 5
1 1H LEU 1 1HT LEU 1 3.632 1.283 -16.216
2 2H LEU 1 2HT LEU 1 4.730 0.847 -14.996
3 3H LEU 1 3HT LEU 1 3.673 2.156 -14.763
4 HA LEU 1 HA LEU 1 1.829 0.819 -14.470
5 1HB LEU 1 2HB LEU 1 2.577 -0.546 -16.574
6 2HB LEU 1 1HB LEU 1 3.324 -1.626 -15.395
7 HG LEU 1 HG LEU 1 0.955 -1.438 -14.217
8 1HD1 LEU 1 1HD1 LEU 1 0.006 -1.305 -17.048
9 2HD1 LEU 1 2HD1 LEU 1 0.390 0.213 -16.237
10 3HD1 LEU 1 3HD1 LEU 1 -0.834 -0.862 -15.561
11 1HD2 LEU 1 1HD2 LEU 1 1.659 -3.112 -16.641
12 2HD2 LEU 1 2HD2 LEU 1 0.221 -3.409 -15.662
13 3HD2 LEU 1 3HD2 LEU 1 1.825 -3.554 -14.940
14 H LEU 2 H LEU 2 2.350 1.255 -12.280
15 HA LEU 2 HA LEU 2 3.768 -0.983 -10.901
16 1HB LEU 2 2HB LEU 2 4.749 1.630 -11.118
17 2HB LEU 2 1HB LEU 2 4.027 1.579 -9.512
18 HG LEU 2 HG LEU 2 6.391 0.897 -9.427
19 1HD1 LEU 2 1HD1 LEU 2 4.388 -1.329 -8.963
20 2HD1 LEU 2 2HD1 LEU 2 4.940 -0.131 -7.792
21 3HD1 LEU 2 3HD1 LEU 2 6.051 -1.368 -8.378
22 1HD2 LEU 2 1HD2 LEU 2 6.154 -0.105 -11.858
23 2HD2 LEU 2 2HD2 LEU 2 5.738 -1.583 -10.991
24 3HD2 LEU 2 3HD2 LEU 2 7.302 -0.814 -10.723
25 H ALA 3 H ALA 3 1.709 -1.871 -10.350
26 HA ALA 3 HA ALA 3 0.232 -0.294 -8.281
27 1HB ALA 3 1HB ALA 3 -1.791 -0.730 -9.254
28 2HB ALA 3 2HB ALA 3 -1.294 -2.329 -9.806
29 3HB ALA 3 3HB ALA 3 -0.822 -0.896 -10.718
30 H CYS 4 H CYS 4 2.298 -1.948 -7.545
31 HA CYS 4 HA CYS 4 1.064 -3.755 -5.720
32 1HB CYS 4 2HB CYS 4 0.683 -5.092 -7.782
33 2HB CYS 4 1HB CYS 4 2.413 -5.070 -8.103
34 H LEU 5 H LEU 5 2.500 -2.828 -4.263
35 HA LEU 5 HA LEU 5 5.335 -2.549 -4.764
36 1HB LEU 5 2HB LEU 5 3.939 -2.622 -2.074
37 2HB LEU 5 1HB LEU 5 5.502 -1.893 -2.442
38 HG LEU 5 HG LEU 5 2.869 -1.013 -3.658
39 1HD1 LEU 5 1HD1 LEU 5 3.252 -0.614 -1.133
40 2HD1 LEU 5 2HD1 LEU 5 2.847 0.788 -2.123
41 3HD1 LEU 5 3HD1 LEU 5 4.519 0.506 -1.639
42 1HD2 LEU 5 1HD2 LEU 5 5.623 0.264 -3.683
43 2HD2 LEU 5 2HD2 LEU 5 4.178 0.892 -4.474
44 3HD2 LEU 5 3HD2 LEU 5 4.908 -0.611 -5.037
45 H PHE 6 H PHE 6 3.312 -5.044 -3.344
46 HA PHE 6 HA PHE 6 5.740 -6.771 -3.145
47 1HB PHE 6 2HB PHE 6 3.544 -6.460 -1.084
48 2HB PHE 6 1HB PHE 6 4.702 -7.790 -1.075
49 HD1 PHE 6 1HD PHE 6 7.248 -6.783 -1.647
50 HD2 PHE 6 2HD PHE 6 4.068 -4.790 0.444
51 HE1 PHE 6 1HE PHE 6 8.906 -5.331 -0.510
52 HE2 PHE 6 2HE PHE 6 5.726 -3.338 1.582
53 HZ PHE 6 HZ PHE 6 8.145 -3.609 1.105
54 H GLY 7 H GLY 7 2.358 -7.480 -2.319
55 1HA GLY 7 2HA GLY 7 0.775 -8.799 -3.499
56 2HA GLY 7 1HA GLY 7 1.934 -8.958 -4.819
57 H ASN 8 H ASN 8 2.838 -9.654 -1.503
58 HA ASN 8 HA ASN 8 3.306 -12.476 -2.294
59 1HB ASN 8 2HB ASN 8 4.272 -10.831 0.058
60 2HB ASN 8 1HB ASN 8 4.624 -12.548 -0.146
61 1HD2 ASN 8 1HD2 ASN 8 5.926 -9.528 -0.731
62 2HD2 ASN 8 2HD2 ASN 8 6.943 -9.916 -2.034
63 H GLY 9 H GLY 9 0.728 -10.923 -1.080
64 1HA GLY 9 2HA GLY 9 -1.186 -11.842 -0.069
65 2HA GLY 9 1HA GLY 9 -0.273 -13.312 0.241
66 H ARG 10 H ARG 10 1.704 -10.967 1.440
67 HA ARG 10 HA ARG 10 0.352 -10.970 4.105
68 1HB ARG 10 2HB ARG 10 2.649 -11.111 5.101
69 2HB ARG 10 1HB ARG 10 2.201 -12.550 4.182
70 1HG ARG 10 2HG ARG 10 3.397 -11.620 2.212
71 2HG ARG 10 1HG ARG 10 3.916 -10.256 3.194
72 1HD ARG 10 2HD ARG 10 4.449 -12.954 4.319
73 2HD ARG 10 1HD ARG 10 5.399 -12.501 2.904
74 HE ARG 10 HE ARG 10 5.436 -10.330 4.753
75 1HH1 ARG 10 1HH2 ARG 10 6.637 -13.597 4.402
76 2HH1 ARG 10 2HH2 ARG 10 8.020 -13.302 5.397
77 1HH2 ARG 10 1HH1 ARG 10 7.239 -9.993 6.032
78 2HH2 ARG 10 2HH1 ARG 10 8.359 -11.284 6.312
79 H CYS 11 H CYS 11 0.380 -9.026 5.181
80 HA CYS 11 HA CYS 11 2.130 -6.836 4.231
81 1HB CYS 11 2HB CYS 11 0.154 -5.290 4.040
82 2HB CYS 11 1HB CYS 11 0.223 -6.526 2.793
83 H SER 12 H SER 12 1.883 -4.877 5.597
84 HA SER 12 HA SER 12 1.229 -5.630 8.411
85 1HB SER 12 2HB SER 12 3.138 -3.589 7.254
86 2HB SER 12 1HB SER 12 2.691 -3.609 8.958
87 HG SER 12 HG SER 12 4.341 -5.277 7.525
88 H SER 13 H SER 13 0.560 -3.434 5.816
89 HA SER 13 HA SER 13 -1.737 -2.335 7.300
90 1HB SER 13 2HB SER 13 -1.129 -0.009 6.629
91 2HB SER 13 1HB SER 13 0.034 -0.703 7.755
92 HG SER 13 HG SER 13 1.283 0.070 6.164
93 H ASN 14 H ASN 14 -2.853 -0.703 5.541
94 HA ASN 14 HA ASN 14 -3.618 -2.384 3.343
95 1HB ASN 14 2HB ASN 14 -4.184 0.421 4.193
96 2HB ASN 14 1HB ASN 14 -4.544 -0.016 2.523
97 1HD2 ASN 14 1HD2 ASN 14 -6.795 -0.339 2.526
98 2HD2 ASN 14 2HD2 ASN 14 -7.611 -1.371 3.598
99 H ARG 15 H ARG 15 -1.348 0.324 3.619
100 HA ARG 15 HA ARG 15 -0.856 0.592 0.799
101 1HB ARG 15 2HB ARG 15 0.413 1.559 3.306
102 2HB ARG 15 1HB ARG 15 1.431 1.538 1.866
103 1HG ARG 15 2HG ARG 15 -0.755 2.632 0.775
104 2HG ARG 15 1HG ARG 15 -1.011 3.156 2.438
105 1HD ARG 15 2HD ARG 15 0.710 4.636 2.359
106 2HD ARG 15 1HD ARG 15 1.758 3.512 1.493
107 HE ARG 15 HE ARG 15 0.141 5.587 0.289
108 1HH1 ARG 15 1HH2 ARG 15 1.386 2.354 -0.199
109 2HH1 ARG 15 2HH2 ARG 15 1.341 2.489 -1.922
110 1HH2 ARG 15 1HH1 ARG 15 0.100 5.717 -1.944
111 2HH2 ARG 15 2HH1 ARG 15 0.622 4.370 -2.902
112 H ASP 16 H ASP 16 0.024 -1.904 2.944
113 HA ASP 16 HA ASP 16 2.501 -2.583 1.494
114 1HB ASP 16 2HB ASP 16 1.100 -3.559 3.931
115 2HB ASP 16 1HB ASP 16 2.146 -4.696 3.085
116 H CYS 17 H CYS 17 -0.485 -2.738 0.412
117 HA CYS 17 HA CYS 17 -0.262 -5.565 -0.549
118 1HB CYS 17 2HB CYS 17 -2.705 -3.808 -0.189
119 2HB CYS 17 1HB CYS 17 -2.724 -5.387 -0.973
120 H CYS 18 H CYS 18 -1.895 -5.511 -2.744
121 HA CYS 18 HA CYS 18 -0.566 -3.486 -4.503
122 1HB CYS 18 2HB CYS 18 -1.568 -6.239 -5.290
123 2HB CYS 18 1HB CYS 18 -0.652 -5.122 -6.300
124 H GLU 19 H GLU 19 -1.981 -3.495 -6.724
125 HA GLU 19 HA GLU 19 -4.386 -2.100 -6.108
126 1HB GLU 19 2HB GLU 19 -3.029 -1.934 -8.245
127 2HB GLU 19 1HB GLU 19 -3.762 -3.460 -8.736
128 1HG GLU 19 2HG GLU 19 -5.792 -2.513 -9.147
129 2HG GLU 19 1HG GLU 19 -5.663 -1.410 -7.778
130 H LEU 20 H LEU 20 -3.940 -5.411 -7.408
131 HA LEU 20 HA LEU 20 -6.663 -6.139 -7.578
132 1HB LEU 20 2HB LEU 20 -4.664 -7.480 -8.379
133 2HB LEU 20 1HB LEU 20 -4.443 -8.003 -6.708
134 HG LEU 20 HG LEU 20 -7.063 -8.544 -6.962
135 1HD1 LEU 20 1HD1 LEU 20 -6.135 -9.392 -9.671
136 2HD1 LEU 20 2HD1 LEU 20 -6.640 -7.714 -9.471
137 3HD1 LEU 20 3HD1 LEU 20 -7.765 -9.022 -9.107
138 1HD2 LEU 20 1HD2 LEU 20 -5.710 -10.305 -6.257
139 2HD2 LEU 20 2HD2 LEU 20 -4.602 -10.133 -7.618
140 3HD2 LEU 20 3HD2 LEU 20 -6.184 -10.873 -7.858
141 H THR 21 H THR 21 -4.663 -5.725 -4.759
142 HA THR 21 HA THR 21 -6.974 -6.561 -3.051
143 HB THR 21 HB THR 21 -5.370 -7.513 -1.435
144 HG1 THR 21 1HG THR 21 -3.483 -6.821 -3.436
145 1HG2 THR 21 1HG2 THR 21 -4.918 -9.524 -2.600
146 2HG2 THR 21 2HG2 THR 21 -4.707 -8.683 -4.135
147 3HG2 THR 21 3HG2 THR 21 -6.316 -8.844 -3.433
148 HA PRO 22 HA PRO 22 -5.625 -2.313 -1.932
149 1HB PRO 22 2HB PRO 22 -8.141 -1.285 -1.710
150 2HB PRO 22 1HB PRO 22 -7.256 -1.379 -3.239
151 1HG PRO 22 2HG PRO 22 -9.532 -3.002 -2.281
152 2HG PRO 22 1HG PRO 22 -9.037 -2.615 -3.935
153 1HD PRO 22 2HD PRO 22 -8.578 -5.053 -2.577
154 2HD PRO 22 1HD PRO 22 -7.858 -4.553 -4.117
155 H VAL 23 H VAL 23 -6.860 -4.857 -0.219
156 HA VAL 23 HA VAL 23 -7.122 -3.153 2.228
157 HB VAL 23 HB VAL 23 -9.306 -4.088 1.558
158 1HG1 VAL 23 1HG1 VAL 23 -9.340 -6.712 2.169
159 2HG1 VAL 23 2HG1 VAL 23 -7.731 -6.592 1.461
160 3HG1 VAL 23 3HG1 VAL 23 -9.142 -6.105 0.529
161 1HG2 VAL 23 1HG2 VAL 23 -9.008 -3.693 3.902
162 2HG2 VAL 23 2HG2 VAL 23 -8.033 -5.151 4.086
163 3HG2 VAL 23 3HG2 VAL 23 -9.761 -5.281 3.760
164 H CYS 24 H CYS 24 -6.164 -3.916 4.110
165 HA CYS 24 HA CYS 24 -4.446 -6.352 3.835
166 1HB CYS 24 2HB CYS 24 -3.076 -4.303 3.738
167 2HB CYS 24 1HB CYS 24 -3.796 -3.734 5.240
168 H LYS 25 H LYS 25 -5.793 -7.727 4.991
169 HA LYS 25 HA LYS 25 -6.339 -6.943 7.832
170 1HB LYS 25 2HB LYS 25 -8.097 -8.415 5.864
171 2HB LYS 25 1HB LYS 25 -8.362 -8.504 7.605
172 1HG LYS 25 2HG LYS 25 -8.378 -5.957 7.610
173 2HG LYS 25 1HG LYS 25 -8.442 -6.042 5.849
174 1HD LYS 25 2HD LYS 25 -10.421 -7.477 7.635
175 2HD LYS 25 1HD LYS 25 -10.700 -5.853 7.005
176 1HE LYS 25 2HE LYS 25 -11.014 -6.591 4.855
177 2HE LYS 25 1HE LYS 25 -9.866 -7.917 5.032
178 1HZ LYS 25 1HZ LYS 25 -12.326 -8.494 4.877
179 2HZ LYS 25 2HZ LYS 25 -12.445 -7.915 6.470
180 3HZ LYS 25 3HZ LYS 25 -11.429 -9.229 6.115
181 H ARG 26 H ARG 26 -5.976 -8.537 9.387
182 HA ARG 26 HA ARG 26 -5.009 -10.455 10.318
183 1HB ARG 26 2HB ARG 26 -6.340 -11.443 7.833
184 2HB ARG 26 1HB ARG 26 -5.215 -12.529 8.648
185 1HG ARG 26 2HG ARG 26 -7.113 -13.061 9.833
186 2HG ARG 26 1HG ARG 26 -6.586 -11.680 10.795
187 1HD ARG 26 2HD ARG 26 -8.127 -10.217 9.745
188 2HD ARG 26 1HD ARG 26 -8.414 -11.341 8.416
189 HE ARG 26 HE ARG 26 -9.755 -11.373 10.984
190 1HH1 ARG 26 1HH2 ARG 26 -8.595 -13.393 8.375
191 2HH1 ARG 26 2HH2 ARG 26 -9.743 -14.644 8.700
192 1HH2 ARG 26 1HH1 ARG 26 -11.223 -13.016 11.368
193 2HH2 ARG 26 2HH1 ARG 26 -11.216 -14.436 10.375
194 H GLY 27 H GLY 27 -3.314 -8.630 8.843
195 1HA GLY 27 2HA GLY 27 -1.113 -8.520 8.042
196 2HA GLY 27 1HA GLY 27 -0.904 -10.131 8.726
197 H SER 28 H SER 28 -3.332 -9.488 6.283
198 HA SER 28 HA SER 28 -1.603 -10.690 4.187
199 1HB SER 28 2HB SER 28 -4.166 -11.807 5.275
200 2HB SER 28 1HB SER 28 -3.790 -12.030 3.569
201 HG SER 28 HG SER 28 -2.155 -13.297 4.087
202 H CYS 29 H CYS 29 -2.687 -10.469 1.988
203 HA CYS 29 HA CYS 29 -4.222 -7.904 1.924
204 1HB CYS 29 2HB CYS 29 -2.489 -9.226 -0.189
205 2HB CYS 29 1HB CYS 29 -3.394 -7.733 -0.427
206 H VAL 30 H VAL 30 -6.191 -7.825 0.856
207 HA VAL 30 HA VAL 30 -6.981 -10.048 -0.890
208 HB VAL 30 HB VAL 30 -9.040 -10.552 0.345
209 1HG1 VAL 30 1HG1 VAL 30 -6.656 -10.698 2.210
210 2HG1 VAL 30 2HG1 VAL 30 -6.897 -11.780 0.837
211 3HG1 VAL 30 3HG1 VAL 30 -8.047 -11.782 2.173
212 1HG2 VAL 30 1HG2 VAL 30 -7.978 -8.423 2.201
213 2HG2 VAL 30 2HG2 VAL 30 -9.106 -9.652 2.772
214 3HG2 VAL 30 3HG2 VAL 30 -9.582 -8.551 1.479
215 H SER 31 H SER 31 -9.543 -9.502 -1.344
216 HA SER 31 HA SER 31 -9.433 -6.830 -2.548
217 1HB SER 31 2HB SER 31 -11.814 -8.653 -2.709
218 2HB SER 31 1HB SER 31 -11.209 -7.514 -3.909
219 HG SER 31 HG SER 31 -9.374 -8.907 -4.125
220 H SER 32 H SER 32 -10.192 -5.092 -1.503
221 HA SER 32 HA SER 32 -11.551 -5.174 1.001
222 1HB SER 32 2HB SER 32 -11.801 -2.799 0.768
223 2HB SER 32 1HB SER 32 -10.267 -3.215 0.009
224 HG SER 32 HG SER 32 -12.750 -2.587 -1.182
225 H GLY 33 H GLY 33 -12.805 -4.674 -2.303
226 1HA GLY 33 2HA GLY 33 -14.973 -4.932 -3.160
227 2HA GLY 33 1HA GLY 33 -15.289 -5.981 -1.777
228 HA PRO 34 HA PRO 34 -17.529 -1.888 -1.138
229 1HB PRO 34 2HB PRO 34 -20.014 -2.557 -2.043
230 2HB PRO 34 1HB PRO 34 -18.759 -1.867 -3.082
231 1HG PRO 34 2HG PRO 34 -19.834 -4.597 -3.024
232 2HG PRO 34 1HG PRO 34 -18.952 -3.762 -4.309
233 1HD PRO 34 2HD PRO 34 -17.929 -5.698 -2.439
234 2HD PRO 34 1HD PRO 34 -17.043 -4.846 -3.723
235 H GLY 35 H GLY 35 -20.084 -1.939 -0.123
236 1HA GLY 35 2HA GLY 35 -19.849 -3.880 2.137
237 2HA GLY 35 1HA GLY 35 -20.649 -2.311 2.247
238 H LEU 36 H LEU 36 -20.885 -5.180 0.110
239 HA LEU 36 HA LEU 36 -23.854 -5.035 0.463
240 1HB LEU 36 2HB LEU 36 -22.675 -4.573 -1.877
241 2HB LEU 36 1HB LEU 36 -22.637 -6.336 -1.943
242 HG LEU 36 HG LEU 36 -25.193 -5.001 -1.139
243 1HD1 LEU 36 1HD1 LEU 36 -23.939 -4.962 -3.868
244 2HD1 LEU 36 2HD1 LEU 36 -24.891 -3.715 -3.061
245 3HD1 LEU 36 3HD1 LEU 36 -25.688 -5.142 -3.724
246 1HD2 LEU 36 1HD2 LEU 36 -25.246 -7.370 -1.059
247 2HD2 LEU 36 2HD2 LEU 36 -24.328 -7.524 -2.557
248 3HD2 LEU 36 3HD2 LEU 36 -26.004 -6.977 -2.602
249 H VAL 37 H VAL 37 -23.653 -6.514 2.277
250 HA VAL 37 HA VAL 37 -22.873 -9.296 1.496
251 HB VAL 37 HB VAL 37 -23.139 -8.159 4.294
252 1HG1 VAL 37 1HG1 VAL 37 -21.922 -10.711 3.196
253 2HG1 VAL 37 2HG1 VAL 37 -23.395 -10.589 4.157
254 3HG1 VAL 37 3HG1 VAL 37 -21.835 -10.197 4.881
255 1HG2 VAL 37 1HG2 VAL 37 -20.754 -7.905 4.329
256 2HG2 VAL 37 2HG2 VAL 37 -21.306 -7.119 2.850
257 3HG2 VAL 37 3HG2 VAL 37 -20.579 -8.724 2.777
258 H GLY 38 H GLY 38 -25.056 -7.778 3.896
259 1HA GLY 38 2HA GLY 38 -27.396 -8.075 4.147
260 2HA GLY 38 1HA GLY 38 -27.383 -9.139 2.740
261 H GLY 39 H GLY 39 -26.751 -8.984 6.209
262 1HA GLY 39 2HA GLY 39 -26.532 -11.951 6.312
263 2HA GLY 39 1HA GLY 39 -26.115 -10.850 7.627
264 H ILE 40 H ILE 40 -28.614 -9.278 7.240
265 HA ILE 40 HA ILE 40 -30.589 -11.276 8.274
266 HB ILE 40 HB ILE 40 -30.306 -8.422 9.235
267 1HG1 ILE 40 2HG1 ILE 40 -29.444 -10.950 10.671
268 2HG1 ILE 40 1HG1 ILE 40 -28.325 -9.899 9.801
269 1HG2 ILE 40 1HG2 ILE 40 -32.537 -9.317 9.534
270 2HG2 ILE 40 2HG2 ILE 40 -31.734 -9.319 11.104
271 3HG2 ILE 40 3HG2 ILE 40 -31.891 -10.821 10.193
272 1HD1 ILE 40 1HD1 ILE 40 -30.152 -8.923 12.011
273 2HD1 ILE 40 2HD1 ILE 40 -28.832 -8.037 11.248
274 3HD1 ILE 40 3HD1 ILE 40 -28.483 -9.426 12.279
275 H LEU 41 H LEU 41 -31.386 -11.282 6.050
276 HA LEU 41 HA LEU 41 -32.624 -8.777 5.075
277 1HB LEU 41 2HB LEU 41 -33.188 -10.171 3.064
278 2HB LEU 41 1HB LEU 41 -31.459 -10.091 3.401
279 HG LEU 41 HG LEU 41 -32.864 -12.307 4.765
280 1HD1 LEU 41 1HD1 LEU 41 -33.185 -13.673 2.816
281 2HD1 LEU 41 2HD1 LEU 41 -32.444 -12.462 1.770
282 3HD1 LEU 41 3HD1 LEU 41 -34.015 -12.148 2.507
283 1HD2 LEU 41 1HD2 LEU 41 -30.530 -12.571 2.896
284 2HD2 LEU 41 2HD2 LEU 41 -30.837 -13.400 4.422
285 3HD2 LEU 41 3HD2 LEU 41 -30.303 -11.720 4.424
286 H GLY 42 H GLY 42 -34.861 -8.505 4.892
287 1HA GLY 42 2HA GLY 42 -36.514 -9.997 6.738
288 2HA GLY 42 1HA GLY 42 -37.085 -8.760 5.616
289 H GLY 43 H GLY 43 -37.412 -9.428 3.348
290 1HA GLY 43 2HA GLY 43 -37.606 -12.341 2.871
291 2HA GLY 43 1HA GLY 43 -39.103 -11.414 2.772
292 H ILE 44 H ILE 44 -36.129 -12.195 1.179
293 HA ILE 44 HA ILE 44 -35.362 -11.757 -0.993
294 HB ILE 44 HB ILE 44 -38.232 -10.908 -1.482
295 1HG1 ILE 44 2HG1 ILE 44 -36.991 -13.644 -1.877
296 2HG1 ILE 44 1HG1 ILE 44 -37.923 -13.206 -0.445
297 1HG2 ILE 44 1HG2 ILE 44 -36.468 -12.229 -3.504
298 2HG2 ILE 44 2HG2 ILE 44 -36.198 -10.521 -3.160
299 3HG2 ILE 44 3HG2 ILE 44 -37.771 -11.065 -3.745
300 1HD1 ILE 44 1HD1 ILE 44 -39.917 -12.990 -1.644
301 2HD1 ILE 44 2HD1 ILE 44 -39.145 -14.345 -2.467
302 3HD1 ILE 44 3HD1 ILE 44 -39.083 -12.732 -3.177
303 H LEU 45 H LEU 45 -34.173 -9.935 0.081
304 HA LEU 45 HA LEU 45 -33.435 -7.711 0.081
305 1HB LEU 45 2HB LEU 45 -33.951 -8.161 -2.448
306 2HB LEU 45 1HB LEU 45 -35.346 -7.119 -2.165
307 HG LEU 45 HG LEU 45 -33.526 -5.560 -1.023
308 1HD1 LEU 45 1HD1 LEU 45 -31.761 -7.364 -1.450
309 2HD1 LEU 45 2HD1 LEU 45 -31.345 -5.735 -1.982
310 3HD1 LEU 45 3HD1 LEU 45 -31.880 -6.936 -3.158
311 1HD2 LEU 45 1HD2 LEU 45 -34.357 -5.911 -3.870
312 2HD2 LEU 45 2HD2 LEU 45 -33.048 -4.774 -3.544
313 3HD2 LEU 45 3HD2 LEU 45 -34.623 -4.548 -2.783
Start of MODEL 6
1 1H LEU 1 1HT LEU 1 2.344 0.029 -16.330
2 2H LEU 1 2HT LEU 1 3.384 0.452 -15.054
3 3H LEU 1 3HT LEU 1 1.747 0.906 -15.006
4 HA LEU 1 HA LEU 1 1.012 -1.256 -14.615
5 1HB LEU 1 2HB LEU 1 3.010 -1.978 -16.341
6 2HB LEU 1 1HB LEU 1 3.670 -2.548 -14.811
7 HG LEU 1 HG LEU 1 2.339 -4.315 -15.882
8 1HD1 LEU 1 1HD1 LEU 1 0.926 -3.134 -13.470
9 2HD1 LEU 1 2HD1 LEU 1 2.351 -4.171 -13.411
10 3HD1 LEU 1 3HD1 LEU 1 0.820 -4.810 -14.012
11 1HD2 LEU 1 1HD2 LEU 1 0.136 -4.045 -16.592
12 2HD2 LEU 1 2HD2 LEU 1 0.802 -2.452 -16.954
13 3HD2 LEU 1 3HD2 LEU 1 -0.160 -2.695 -15.496
14 H LEU 2 H LEU 2 2.071 0.869 -13.001
15 HA LEU 2 HA LEU 2 3.590 -0.574 -10.881
16 1HB LEU 2 2HB LEU 2 4.084 1.868 -11.903
17 2HB LEU 2 1HB LEU 2 2.961 2.327 -10.622
18 HG LEU 2 HG LEU 2 4.400 0.844 -9.078
19 1HD1 LEU 2 1HD1 LEU 2 6.867 0.976 -10.051
20 2HD1 LEU 2 2HD1 LEU 2 6.019 0.934 -11.597
21 3HD1 LEU 2 3HD1 LEU 2 5.816 -0.385 -10.444
22 1HD2 LEU 2 1HD2 LEU 2 4.361 3.445 -9.358
23 2HD2 LEU 2 2HD2 LEU 2 5.917 3.213 -10.154
24 3HD2 LEU 2 3HD2 LEU 2 5.700 2.707 -8.479
25 H ALA 3 H ALA 3 1.979 -1.730 -9.805
26 HA ALA 3 HA ALA 3 0.232 -0.192 -8.046
27 1HB ALA 3 1HB ALA 3 -1.821 -0.611 -8.980
28 2HB ALA 3 2HB ALA 3 -1.312 -2.157 -9.659
29 3HB ALA 3 3HB ALA 3 -0.879 -0.652 -10.471
30 H CYS 4 H CYS 4 2.326 -1.954 -7.501
31 HA CYS 4 HA CYS 4 1.132 -3.763 -5.656
32 1HB CYS 4 2HB CYS 4 0.556 -5.011 -7.740
33 2HB CYS 4 1HB CYS 4 2.267 -5.079 -8.146
34 H LEU 5 H LEU 5 2.701 -2.973 -4.268
35 HA LEU 5 HA LEU 5 5.486 -2.711 -4.898
36 1HB LEU 5 2HB LEU 5 4.246 -3.149 -2.165
37 2HB LEU 5 1HB LEU 5 5.827 -2.444 -2.499
38 HG LEU 5 HG LEU 5 3.196 -1.277 -3.444
39 1HD1 LEU 5 1HD1 LEU 5 3.488 -1.193 -0.967
40 2HD1 LEU 5 2HD1 LEU 5 3.515 0.407 -1.706
41 3HD1 LEU 5 3HD1 LEU 5 5.023 -0.359 -1.205
42 1HD2 LEU 5 1HD2 LEU 5 5.008 -0.642 -4.907
43 2HD2 LEU 5 2HD2 LEU 5 6.072 -0.324 -3.537
44 3HD2 LEU 5 3HD2 LEU 5 4.693 0.731 -3.847
45 H PHE 6 H PHE 6 3.566 -5.329 -3.530
46 HA PHE 6 HA PHE 6 5.836 -7.178 -4.050
47 1HB PHE 6 2HB PHE 6 4.360 -6.897 -1.421
48 2HB PHE 6 1HB PHE 6 5.322 -8.315 -1.837
49 HD1 PHE 6 1HD PHE 6 5.424 -5.207 -0.227
50 HD2 PHE 6 2HD PHE 6 7.746 -7.697 -2.846
51 HE1 PHE 6 1HE PHE 6 7.485 -4.014 0.467
52 HE2 PHE 6 2HE PHE 6 9.807 -6.504 -2.153
53 HZ PHE 6 HZ PHE 6 9.676 -4.663 -0.497
54 H GLY 7 H GLY 7 2.736 -7.628 -2.367
55 1HA GLY 7 2HA GLY 7 0.745 -8.644 -3.222
56 2HA GLY 7 1HA GLY 7 1.605 -9.013 -4.718
57 H ASN 8 H ASN 8 2.882 -9.755 -1.519
58 HA ASN 8 HA ASN 8 2.950 -12.617 -2.276
59 1HB ASN 8 2HB ASN 8 4.390 -10.888 -0.318
60 2HB ASN 8 1HB ASN 8 4.204 -12.595 0.089
61 1HD2 ASN 8 1HD2 ASN 8 6.457 -13.123 -0.293
62 2HD2 ASN 8 2HD2 ASN 8 7.130 -13.110 -1.852
63 H GLY 9 H GLY 9 0.517 -10.950 -1.158
64 1HA GLY 9 2HA GLY 9 -1.376 -11.543 0.076
65 2HA GLY 9 1HA GLY 9 -0.651 -13.130 0.303
66 H ARG 10 H ARG 10 1.501 -10.704 1.346
67 HA ARG 10 HA ARG 10 0.463 -10.876 4.141
68 1HB ARG 10 2HB ARG 10 2.863 -11.022 4.879
69 2HB ARG 10 1HB ARG 10 2.319 -12.439 3.978
70 1HG ARG 10 2HG ARG 10 3.264 -11.416 1.907
71 2HG ARG 10 1HG ARG 10 3.924 -10.116 2.887
72 1HD ARG 10 2HD ARG 10 5.746 -11.553 2.840
73 2HD ARG 10 1HD ARG 10 4.928 -12.131 4.292
74 HE ARG 10 HE ARG 10 3.853 -13.587 2.130
75 1HH1 ARG 10 1HH2 ARG 10 6.951 -13.150 3.696
76 2HH1 ARG 10 2HH2 ARG 10 7.494 -14.740 3.287
77 1HH2 ARG 10 1HH1 ARG 10 4.597 -15.636 1.624
78 2HH2 ARG 10 2HH1 ARG 10 6.178 -16.133 2.128
79 H CYS 11 H CYS 11 0.470 -8.936 5.195
80 HA CYS 11 HA CYS 11 2.178 -6.723 4.224
81 1HB CYS 11 2HB CYS 11 0.172 -5.187 4.139
82 2HB CYS 11 1HB CYS 11 0.250 -6.373 2.845
83 H SER 12 H SER 12 1.936 -4.772 5.604
84 HA SER 12 HA SER 12 1.385 -5.545 8.433
85 1HB SER 12 2HB SER 12 3.101 -3.289 7.357
86 2HB SER 12 1HB SER 12 2.902 -3.710 9.056
87 HG SER 12 HG SER 12 4.797 -4.620 8.099
88 H SER 13 H SER 13 0.657 -3.313 5.875
89 HA SER 13 HA SER 13 -1.639 -2.272 7.413
90 1HB SER 13 2HB SER 13 -1.067 0.063 6.597
91 2HB SER 13 1HB SER 13 0.011 -0.564 7.839
92 HG SER 13 HG SER 13 1.585 -0.666 6.422
93 H ASN 14 H ASN 14 -2.809 -0.646 5.658
94 HA ASN 14 HA ASN 14 -3.616 -2.371 3.501
95 1HB ASN 14 2HB ASN 14 -4.215 0.430 4.347
96 2HB ASN 14 1HB ASN 14 -4.611 -0.028 2.689
97 1HD2 ASN 14 1HD2 ASN 14 -6.870 -0.338 2.798
98 2HD2 ASN 14 2HD2 ASN 14 -7.630 -1.402 3.880
99 H ARG 15 H ARG 15 -1.413 0.405 3.680
100 HA ARG 15 HA ARG 15 -1.000 0.641 0.846
101 1HB ARG 15 2HB ARG 15 -0.372 2.259 2.834
102 2HB ARG 15 1HB ARG 15 1.152 1.369 2.800
103 1HG ARG 15 2HG ARG 15 1.091 1.805 0.237
104 2HG ARG 15 1HG ARG 15 -0.091 3.051 0.632
105 1HD ARG 15 2HD ARG 15 2.313 3.088 2.341
106 2HD ARG 15 1HD ARG 15 2.627 3.432 0.641
107 HE ARG 15 HE ARG 15 0.377 4.970 1.418
108 1HH1 ARG 15 1HH2 ARG 15 3.796 4.734 2.111
109 2HH1 ARG 15 2HH2 ARG 15 3.936 6.414 2.496
110 1HH2 ARG 15 1HH1 ARG 15 0.603 7.137 1.924
111 2HH2 ARG 15 2HH1 ARG 15 2.150 7.761 2.393
112 H ASP 16 H ASP 16 -0.002 -1.810 2.992
113 HA ASP 16 HA ASP 16 2.459 -2.445 1.506
114 1HB ASP 16 2HB ASP 16 1.102 -3.452 3.956
115 2HB ASP 16 1HB ASP 16 2.160 -4.569 3.096
116 H CYS 17 H CYS 17 -0.544 -2.670 0.457
117 HA CYS 17 HA CYS 17 -0.264 -5.490 -0.505
118 1HB CYS 17 2HB CYS 17 -2.741 -3.784 -0.140
119 2HB CYS 17 1HB CYS 17 -2.729 -5.368 -0.916
120 H CYS 18 H CYS 18 -1.893 -5.497 -2.689
121 HA CYS 18 HA CYS 18 -0.588 -3.486 -4.483
122 1HB CYS 18 2HB CYS 18 -1.669 -6.224 -5.210
123 2HB CYS 18 1HB CYS 18 -0.775 -5.136 -6.269
124 H GLU 19 H GLU 19 -2.027 -3.406 -6.658
125 HA GLU 19 HA GLU 19 -4.409 -1.996 -5.991
126 1HB GLU 19 2HB GLU 19 -2.911 -2.153 -8.220
127 2HB GLU 19 1HB GLU 19 -4.215 -3.243 -8.686
128 1HG GLU 19 2HG GLU 19 -5.667 -1.215 -7.630
129 2HG GLU 19 1HG GLU 19 -4.273 -0.318 -8.229
130 H LEU 20 H LEU 20 -4.030 -5.275 -7.397
131 HA LEU 20 HA LEU 20 -6.763 -5.967 -7.543
132 1HB LEU 20 2HB LEU 20 -4.206 -7.466 -7.329
133 2HB LEU 20 1HB LEU 20 -5.670 -8.360 -6.917
134 HG LEU 20 HG LEU 20 -6.653 -7.466 -9.107
135 1HD1 LEU 20 1HD1 LEU 20 -3.763 -7.077 -9.878
136 2HD1 LEU 20 2HD1 LEU 20 -4.721 -5.737 -9.249
137 3HD1 LEU 20 3HD1 LEU 20 -5.211 -6.550 -10.735
138 1HD2 LEU 20 1HD2 LEU 20 -5.331 -9.163 -10.465
139 2HD2 LEU 20 2HD2 LEU 20 -6.006 -9.779 -8.958
140 3HD2 LEU 20 3HD2 LEU 20 -4.294 -9.368 -9.055
141 H THR 21 H THR 21 -4.711 -5.660 -4.749
142 HA THR 21 HA THR 21 -7.001 -6.489 -3.018
143 HB THR 21 HB THR 21 -5.411 -7.520 -1.459
144 HG1 THR 21 1HG THR 21 -3.445 -6.941 -3.418
145 1HG2 THR 21 1HG2 THR 21 -6.333 -8.903 -3.306
146 2HG2 THR 21 2HG2 THR 21 -4.727 -9.440 -2.812
147 3HG2 THR 21 3HG2 THR 21 -4.925 -8.494 -4.288
148 HA PRO 22 HA PRO 22 -5.543 -2.300 -1.836
149 1HB PRO 22 2HB PRO 22 -8.027 -1.191 -1.624
150 2HB PRO 22 1HB PRO 22 -7.133 -1.303 -3.148
151 1HG PRO 22 2HG PRO 22 -9.493 -2.816 -2.247
152 2HG PRO 22 1HG PRO 22 -8.913 -2.501 -3.888
153 1HD PRO 22 2HD PRO 22 -8.603 -4.906 -2.380
154 2HD PRO 22 1HD PRO 22 -7.911 -4.540 -3.974
155 H VAL 23 H VAL 23 -6.779 -4.829 -0.154
156 HA VAL 23 HA VAL 23 -7.080 -3.146 2.302
157 HB VAL 23 HB VAL 23 -9.248 -4.076 1.595
158 1HG1 VAL 23 1HG1 VAL 23 -9.093 -6.078 0.550
159 2HG1 VAL 23 2HG1 VAL 23 -9.275 -6.711 2.184
160 3HG1 VAL 23 3HG1 VAL 23 -7.672 -6.568 1.468
161 1HG2 VAL 23 1HG2 VAL 23 -9.893 -4.897 3.749
162 2HG2 VAL 23 2HG2 VAL 23 -8.571 -3.765 4.030
163 3HG2 VAL 23 3HG2 VAL 23 -8.269 -5.503 4.073
164 H CYS 24 H CYS 24 -6.124 -3.904 4.172
165 HA CYS 24 HA CYS 24 -4.396 -6.333 3.899
166 1HB CYS 24 2HB CYS 24 -3.051 -4.260 3.849
167 2HB CYS 24 1HB CYS 24 -3.790 -3.734 5.357
168 H LYS 25 H LYS 25 -5.773 -7.722 5.008
169 HA LYS 25 HA LYS 25 -6.361 -6.978 7.853
170 1HB LYS 25 2HB LYS 25 -8.121 -8.098 5.730
171 2HB LYS 25 1HB LYS 25 -8.316 -8.763 7.352
172 1HG LYS 25 2HG LYS 25 -8.395 -6.324 8.162
173 2HG LYS 25 1HG LYS 25 -8.616 -5.892 6.467
174 1HD LYS 25 2HD LYS 25 -10.359 -7.934 7.859
175 2HD LYS 25 1HD LYS 25 -10.760 -6.216 7.817
176 1HE LYS 25 2HE LYS 25 -10.838 -6.226 5.400
177 2HE LYS 25 1HE LYS 25 -10.216 -7.876 5.340
178 1HZ LYS 25 1HZ LYS 25 -12.716 -7.541 5.109
179 2HZ LYS 25 2HZ LYS 25 -12.713 -7.224 6.778
180 3HZ LYS 25 3HZ LYS 25 -12.186 -8.730 6.195
181 H ARG 26 H ARG 26 -6.087 -8.622 9.386
182 HA ARG 26 HA ARG 26 -5.139 -10.550 10.307
183 1HB ARG 26 2HB ARG 26 -6.146 -11.614 7.662
184 2HB ARG 26 1HB ARG 26 -5.362 -12.646 8.857
185 1HG ARG 26 2HG ARG 26 -7.121 -12.520 10.323
186 2HG ARG 26 1HG ARG 26 -7.527 -10.869 9.856
187 1HD ARG 26 2HD ARG 26 -8.064 -12.233 7.537
188 2HD ARG 26 1HD ARG 26 -8.506 -13.426 8.759
189 HE ARG 26 HE ARG 26 -9.590 -10.790 9.340
190 1HH1 ARG 26 1HH2 ARG 26 -10.069 -13.738 7.520
191 2HH1 ARG 26 2HH2 ARG 26 -11.779 -13.515 7.416
192 1HH2 ARG 26 1HH1 ARG 26 -11.809 -10.541 9.179
193 2HH2 ARG 26 2HH1 ARG 26 -12.756 -11.726 8.344
194 H GLY 27 H GLY 27 -3.423 -8.686 8.901
195 1HA GLY 27 2HA GLY 27 -1.191 -8.540 8.202
196 2HA GLY 27 1HA GLY 27 -0.992 -10.164 8.856
197 H SER 28 H SER 28 -3.340 -9.514 6.338
198 HA SER 28 HA SER 28 -1.502 -10.618 4.283
199 1HB SER 28 2HB SER 28 -4.097 -11.824 5.209
200 2HB SER 28 1HB SER 28 -3.568 -12.043 3.544
201 HG SER 28 HG SER 28 -2.401 -12.921 5.943
202 H CYS 29 H CYS 29 -2.595 -10.443 2.049
203 HA CYS 29 HA CYS 29 -4.141 -7.884 1.971
204 1HB CYS 29 2HB CYS 29 -2.364 -9.200 -0.108
205 2HB CYS 29 1HB CYS 29 -3.298 -7.732 -0.388
206 H VAL 30 H VAL 30 -6.091 -7.806 0.852
207 HA VAL 30 HA VAL 30 -6.836 -10.052 -0.883
208 HB VAL 30 HB VAL 30 -8.937 -10.524 0.305
209 1HG1 VAL 30 1HG1 VAL 30 -6.843 -11.801 0.826
210 2HG1 VAL 30 2HG1 VAL 30 -7.986 -11.755 2.167
211 3HG1 VAL 30 3HG1 VAL 30 -6.566 -10.711 2.183
212 1HG2 VAL 30 1HG2 VAL 30 -9.014 -9.632 2.737
213 2HG2 VAL 30 2HG2 VAL 30 -9.476 -8.530 1.440
214 3HG2 VAL 30 3HG2 VAL 30 -7.876 -8.409 2.172
215 H SER 31 H SER 31 -9.249 -9.555 -1.606
216 HA SER 31 HA SER 31 -9.186 -6.765 -2.565
217 1HB SER 31 2HB SER 31 -9.505 -8.481 -4.263
218 2HB SER 31 1HB SER 31 -10.877 -9.144 -3.379
219 HG SER 31 HG SER 31 -10.743 -7.017 -5.073
220 H SER 32 H SER 32 -10.175 -5.347 -1.230
221 HA SER 32 HA SER 32 -12.264 -6.079 0.630
222 1HB SER 32 2HB SER 32 -12.554 -3.421 0.518
223 2HB SER 32 1HB SER 32 -11.204 -4.169 1.364
224 HG SER 32 HG SER 32 -11.136 -2.516 -0.700
225 H GLY 33 H GLY 33 -12.399 -3.973 -2.271
226 1HA GLY 33 2HA GLY 33 -14.130 -3.659 -3.827
227 2HA GLY 33 1HA GLY 33 -14.804 -5.196 -3.279
228 HA PRO 34 HA PRO 34 -16.749 -1.903 -0.390
229 1HB PRO 34 2HB PRO 34 -15.875 0.677 -0.566
230 2HB PRO 34 1HB PRO 34 -15.090 -0.545 0.446
231 1HG PRO 34 2HG PRO 34 -14.152 0.689 -2.048
232 2HG PRO 34 1HG PRO 34 -13.232 -0.146 -0.791
233 1HD PRO 34 2HD PRO 34 -14.067 -1.184 -3.339
234 2HD PRO 34 1HD PRO 34 -13.168 -2.029 -2.060
235 H GLY 35 H GLY 35 -18.336 -2.408 -2.187
236 1HA GLY 35 2HA GLY 35 -20.255 -1.408 -3.232
237 2HA GLY 35 1HA GLY 35 -19.367 0.113 -3.353
238 H LEU 36 H LEU 36 -19.711 -3.110 -4.766
239 HA LEU 36 HA LEU 36 -18.352 -2.076 -7.227
240 1HB LEU 36 2HB LEU 36 -17.444 -4.149 -5.743
241 2HB LEU 36 1HB LEU 36 -18.555 -5.013 -6.808
242 HG LEU 36 HG LEU 36 -17.370 -3.515 -8.666
243 1HD1 LEU 36 1HD1 LEU 36 -15.907 -2.234 -7.297
244 2HD1 LEU 36 2HD1 LEU 36 -14.878 -3.466 -8.027
245 3HD1 LEU 36 3HD1 LEU 36 -15.422 -3.646 -6.358
246 1HD2 LEU 36 1HD2 LEU 36 -17.157 -5.762 -9.091
247 2HD2 LEU 36 2HD2 LEU 36 -16.691 -6.138 -7.432
248 3HD2 LEU 36 3HD2 LEU 36 -15.504 -5.468 -8.551
249 H VAL 37 H VAL 37 -21.231 -1.957 -6.442
250 HA VAL 37 HA VAL 37 -22.381 -3.715 -8.570
251 HB VAL 37 HB VAL 37 -24.559 -3.330 -7.392
252 1HG1 VAL 37 1HG1 VAL 37 -22.833 -5.230 -6.905
253 2HG1 VAL 37 2HG1 VAL 37 -24.165 -4.984 -5.774
254 3HG1 VAL 37 3HG1 VAL 37 -22.559 -4.364 -5.394
255 1HG2 VAL 37 1HG2 VAL 37 -23.452 -1.170 -6.292
256 2HG2 VAL 37 2HG2 VAL 37 -23.026 -2.322 -5.025
257 3HG2 VAL 37 3HG2 VAL 37 -24.718 -2.068 -5.453
258 H GLY 38 H GLY 38 -24.543 -2.566 -9.418
259 1HA GLY 38 2HA GLY 38 -25.324 -0.087 -9.704
260 2HA GLY 38 1HA GLY 38 -23.690 0.142 -10.326
261 H GLY 39 H GLY 39 -26.715 -0.149 -11.399
262 1HA GLY 39 2HA GLY 39 -26.093 -0.629 -14.097
263 2HA GLY 39 1HA GLY 39 -26.550 -2.193 -13.421
264 H ILE 40 H ILE 40 -28.445 -2.164 -14.812
265 HA ILE 40 HA ILE 40 -30.559 -0.246 -13.918
266 HB ILE 40 HB ILE 40 -30.451 -1.837 -16.498
267 1HG1 ILE 40 2HG1 ILE 40 -29.946 1.126 -16.120
268 2HG1 ILE 40 1HG1 ILE 40 -28.645 -0.062 -16.203
269 1HG2 ILE 40 1HG2 ILE 40 -32.128 0.163 -17.017
270 2HG2 ILE 40 2HG2 ILE 40 -32.348 0.125 -15.268
271 3HG2 ILE 40 3HG2 ILE 40 -32.692 -1.311 -16.231
272 1HD1 ILE 40 1HD1 ILE 40 -29.325 1.105 -18.406
273 2HD1 ILE 40 2HD1 ILE 40 -30.765 0.089 -18.345
274 3HD1 ILE 40 3HD1 ILE 40 -29.166 -0.651 -18.434
275 H LEU 41 H LEU 41 -29.946 -2.558 -12.388
276 HA LEU 41 HA LEU 41 -32.054 -4.532 -13.070
277 1HB LEU 41 2HB LEU 41 -30.054 -4.564 -10.789
278 2HB LEU 41 1HB LEU 41 -31.067 -5.908 -11.320
279 HG LEU 41 HG LEU 41 -29.049 -4.541 -13.116
280 1HD1 LEU 41 1HD1 LEU 41 -27.731 -5.535 -11.404
281 2HD1 LEU 41 2HD1 LEU 41 -27.756 -6.726 -12.705
282 3HD1 LEU 41 3HD1 LEU 41 -28.794 -6.938 -11.295
283 1HD2 LEU 41 1HD2 LEU 41 -29.358 -6.574 -14.477
284 2HD2 LEU 41 2HD2 LEU 41 -30.900 -5.755 -14.228
285 3HD2 LEU 41 3HD2 LEU 41 -30.507 -7.199 -13.294
286 H GLY 42 H GLY 42 -33.426 -5.283 -11.157
287 1HA GLY 42 2HA GLY 42 -34.310 -2.886 -9.603
288 2HA GLY 42 1HA GLY 42 -35.383 -4.197 -10.093
289 H GLY 43 H GLY 43 -33.498 -6.318 -9.412
290 1HA GLY 43 2HA GLY 43 -32.594 -6.159 -6.713
291 2HA GLY 43 1HA GLY 43 -34.236 -6.803 -6.711
292 H ILE 44 H ILE 44 -31.099 -7.753 -6.698
293 HA ILE 44 HA ILE 44 -31.542 -10.147 -8.415
294 HB ILE 44 HB ILE 44 -28.996 -9.243 -7.041
295 1HG1 ILE 44 2HG1 ILE 44 -29.774 -7.537 -8.650
296 2HG1 ILE 44 1HG1 ILE 44 -28.334 -8.355 -9.251
297 1HG2 ILE 44 1HG2 ILE 44 -29.153 -11.649 -7.688
298 2HG2 ILE 44 2HG2 ILE 44 -27.907 -10.782 -8.585
299 3HG2 ILE 44 3HG2 ILE 44 -29.450 -11.150 -9.354
300 1HD1 ILE 44 1HD1 ILE 44 -30.986 -8.224 -10.426
301 2HD1 ILE 44 2HD1 ILE 44 -30.490 -9.900 -10.190
302 3HD1 ILE 44 3HD1 ILE 44 -29.483 -8.807 -11.139
303 H LEU 45 H LEU 45 -32.866 -11.395 -7.034
304 HA LEU 45 HA LEU 45 -31.909 -11.958 -4.290
305 1HB LEU 45 2HB LEU 45 -34.419 -11.635 -5.223
306 2HB LEU 45 1HB LEU 45 -34.270 -13.383 -5.407
307 HG LEU 45 HG LEU 45 -33.383 -12.116 -2.839
308 1HD1 LEU 45 1HD1 LEU 45 -36.203 -13.055 -3.029
309 2HD1 LEU 45 2HD1 LEU 45 -35.845 -11.472 -3.720
310 3HD1 LEU 45 3HD1 LEU 45 -35.504 -11.790 -2.019
311 1HD2 LEU 45 1HD2 LEU 45 -33.745 -14.267 -1.966
312 2HD2 LEU 45 2HD2 LEU 45 -33.166 -14.611 -3.596
313 3HD2 LEU 45 3HD2 LEU 45 -34.891 -14.693 -3.237
Start of MODEL 7
1 1H LEU 1 1HT LEU 1 5.184 0.598 -13.497
2 2H LEU 1 2HT LEU 1 3.955 1.731 -13.801
3 3H LEU 1 3HT LEU 1 4.217 0.446 -14.882
4 HA LEU 1 HA LEU 1 2.256 0.125 -13.426
5 1HB LEU 1 2HB LEU 1 3.545 -1.767 -14.455
6 2HB LEU 1 1HB LEU 1 4.514 -1.852 -12.984
7 HG LEU 1 HG LEU 1 2.332 -2.125 -11.703
8 1HD1 LEU 1 1HD1 LEU 1 0.592 -3.217 -13.424
9 2HD1 LEU 1 2HD1 LEU 1 1.362 -2.075 -14.525
10 3HD1 LEU 1 3HD1 LEU 1 0.577 -1.492 -13.057
11 1HD2 LEU 1 1HD2 LEU 1 2.497 -4.423 -11.883
12 2HD2 LEU 1 2HD2 LEU 1 3.982 -3.973 -12.721
13 3HD2 LEU 1 3HD2 LEU 1 2.539 -4.387 -13.646
14 H LEU 2 H LEU 2 2.207 1.744 -11.722
15 HA LEU 2 HA LEU 2 3.676 0.973 -9.240
16 1HB LEU 2 2HB LEU 2 3.657 3.398 -10.391
17 2HB LEU 2 1HB LEU 2 2.184 3.555 -9.437
18 HG LEU 2 HG LEU 2 4.118 4.374 -8.164
19 1HD1 LEU 2 1HD1 LEU 2 2.259 3.226 -6.967
20 2HD1 LEU 2 2HD1 LEU 2 3.805 3.047 -6.138
21 3HD1 LEU 2 3HD1 LEU 2 3.153 1.710 -7.085
22 1HD2 LEU 2 1HD2 LEU 2 6.081 3.202 -7.884
23 2HD2 LEU 2 2HD2 LEU 2 5.591 2.523 -9.436
24 3HD2 LEU 2 3HD2 LEU 2 5.277 1.634 -7.946
25 H ALA 3 H ALA 3 2.009 -0.775 -9.004
26 HA ALA 3 HA ALA 3 -0.187 0.173 -7.307
27 1HB ALA 3 1HB ALA 3 -1.990 -0.453 -8.616
28 2HB ALA 3 2HB ALA 3 -1.050 -1.631 -9.532
29 3HB ALA 3 3HB ALA 3 -0.881 0.090 -9.876
30 H CYS 4 H CYS 4 2.188 -1.493 -6.977
31 HA CYS 4 HA CYS 4 1.084 -3.616 -5.450
32 1HB CYS 4 2HB CYS 4 0.601 -4.574 -7.707
33 2HB CYS 4 1HB CYS 4 2.324 -4.506 -8.072
34 H LEU 5 H LEU 5 2.571 -3.003 -3.923
35 HA LEU 5 HA LEU 5 5.399 -2.648 -4.534
36 1HB LEU 5 2HB LEU 5 4.129 -3.045 -1.810
37 2HB LEU 5 1HB LEU 5 5.682 -2.288 -2.161
38 HG LEU 5 HG LEU 5 3.053 -1.225 -3.216
39 1HD1 LEU 5 1HD1 LEU 5 3.485 -1.292 -0.604
40 2HD1 LEU 5 2HD1 LEU 5 2.840 0.162 -1.364
41 3HD1 LEU 5 3HD1 LEU 5 4.554 0.063 -0.963
42 1HD2 LEU 5 1HD2 LEU 5 5.475 0.452 -2.774
43 2HD2 LEU 5 2HD2 LEU 5 4.286 0.518 -4.075
44 3HD2 LEU 5 3HD2 LEU 5 5.552 -0.710 -4.097
45 H PHE 6 H PHE 6 3.359 -5.263 -3.390
46 HA PHE 6 HA PHE 6 5.627 -7.129 -3.735
47 1HB PHE 6 2HB PHE 6 4.069 -6.808 -1.158
48 2HB PHE 6 1HB PHE 6 5.032 -8.236 -1.534
49 HD1 PHE 6 1HD PHE 6 7.506 -7.975 -2.002
50 HD2 PHE 6 2HD PHE 6 5.098 -4.794 -0.410
51 HE1 PHE 6 1HE PHE 6 9.557 -6.797 -1.253
52 HE2 PHE 6 2HE PHE 6 7.148 -3.616 0.340
53 HZ PHE 6 HZ PHE 6 9.378 -4.619 -0.082
54 H GLY 7 H GLY 7 2.472 -7.522 -2.147
55 1HA GLY 7 2HA GLY 7 0.515 -8.598 -2.955
56 2HA GLY 7 1HA GLY 7 1.322 -8.835 -4.506
57 H ASN 8 H ASN 8 2.795 -9.761 -1.455
58 HA ASN 8 HA ASN 8 2.907 -12.558 -2.403
59 1HB ASN 8 2HB ASN 8 4.832 -11.145 -1.292
60 2HB ASN 8 1HB ASN 8 4.054 -11.637 0.213
61 1HD2 ASN 8 1HD2 ASN 8 5.183 -13.113 -2.886
62 2HD2 ASN 8 2HD2 ASN 8 5.710 -14.560 -2.172
63 H GLY 9 H GLY 9 0.488 -11.000 -1.003
64 1HA GLY 9 2HA GLY 9 -1.381 -11.892 0.115
65 2HA GLY 9 1HA GLY 9 -0.466 -13.367 0.394
66 H ARG 10 H ARG 10 1.593 -11.012 1.435
67 HA ARG 10 HA ARG 10 0.403 -10.966 4.176
68 1HB ARG 10 2HB ARG 10 2.759 -11.120 5.031
69 2HB ARG 10 1HB ARG 10 2.234 -12.568 4.168
70 1HG ARG 10 2HG ARG 10 3.310 -11.677 2.106
71 2HG ARG 10 1HG ARG 10 3.924 -10.320 3.041
72 1HD ARG 10 2HD ARG 10 4.560 -13.252 3.465
73 2HD ARG 10 1HD ARG 10 5.670 -12.003 2.906
74 HE ARG 10 HE ARG 10 4.852 -12.469 5.669
75 1HH1 ARG 10 1HH2 ARG 10 6.073 -10.123 3.377
76 2HH1 ARG 10 2HH2 ARG 10 6.793 -9.148 4.609
77 1HH2 ARG 10 1HH1 ARG 10 5.794 -11.171 7.227
78 2HH2 ARG 10 2HH1 ARG 10 6.636 -9.731 6.765
79 H CYS 11 H CYS 11 0.485 -8.999 5.193
80 HA CYS 11 HA CYS 11 2.226 -6.854 4.134
81 1HB CYS 11 2HB CYS 11 0.249 -5.283 4.016
82 2HB CYS 11 1HB CYS 11 0.292 -6.511 2.760
83 H SER 12 H SER 12 2.053 -4.861 5.463
84 HA SER 12 HA SER 12 1.503 -5.544 8.316
85 1HB SER 12 2HB SER 12 3.115 -3.832 8.908
86 2HB SER 12 1HB SER 12 3.856 -4.878 7.699
87 HG SER 12 HG SER 12 4.186 -2.774 7.067
88 H SER 13 H SER 13 0.800 -3.369 5.706
89 HA SER 13 HA SER 13 -1.446 -2.224 7.245
90 1HB SER 13 2HB SER 13 -0.858 0.071 6.552
91 2HB SER 13 1HB SER 13 0.424 -0.623 7.541
92 HG SER 13 HG SER 13 1.569 0.020 5.866
93 H ASN 14 H ASN 14 -2.595 -0.613 5.463
94 HA ASN 14 HA ASN 14 -3.465 -2.374 3.357
95 1HB ASN 14 2HB ASN 14 -4.003 0.455 4.150
96 2HB ASN 14 1HB ASN 14 -4.428 -0.031 2.508
97 1HD2 ASN 14 1HD2 ASN 14 -6.693 -0.293 2.657
98 2HD2 ASN 14 2HD2 ASN 14 -7.455 -1.322 3.770
99 H ARG 15 H ARG 15 -1.187 0.338 3.469
100 HA ARG 15 HA ARG 15 -0.802 0.528 0.626
101 1HB ARG 15 2HB ARG 15 -0.136 2.204 2.498
102 2HB ARG 15 1HB ARG 15 1.327 1.228 2.634
103 1HG ARG 15 2HG ARG 15 1.742 1.547 0.205
104 2HG ARG 15 1HG ARG 15 0.314 2.577 0.113
105 1HD ARG 15 2HD ARG 15 1.392 4.004 1.939
106 2HD ARG 15 1HD ARG 15 2.870 3.088 1.645
107 HE ARG 15 HE ARG 15 3.165 4.320 -0.333
108 1HH1 ARG 15 1HH2 ARG 15 -0.172 4.510 0.697
109 2HH1 ARG 15 2HH2 ARG 15 -0.591 5.651 -0.531
110 1HH2 ARG 15 1HH1 ARG 15 2.578 5.795 -1.909
111 2HH2 ARG 15 2HH1 ARG 15 0.947 6.372 -1.993
112 H ASP 16 H ASP 16 0.147 -1.917 2.802
113 HA ASP 16 HA ASP 16 2.579 -2.639 1.311
114 1HB ASP 16 2HB ASP 16 1.206 -3.577 3.779
115 2HB ASP 16 1HB ASP 16 2.229 -4.736 2.928
116 H CYS 17 H CYS 17 -0.445 -2.802 0.289
117 HA CYS 17 HA CYS 17 -0.208 -5.624 -0.684
118 1HB CYS 17 2HB CYS 17 -2.686 -3.925 -0.287
119 2HB CYS 17 1HB CYS 17 -2.670 -5.543 -0.991
120 H CYS 18 H CYS 18 -1.939 -5.577 -2.820
121 HA CYS 18 HA CYS 18 -0.697 -3.523 -4.611
122 1HB CYS 18 2HB CYS 18 -1.653 -6.294 -5.375
123 2HB CYS 18 1HB CYS 18 -0.811 -5.150 -6.418
124 H GLU 19 H GLU 19 -2.151 -3.543 -6.793
125 HA GLU 19 HA GLU 19 -4.570 -2.198 -6.140
126 1HB GLU 19 2HB GLU 19 -3.231 -2.083 -8.319
127 2HB GLU 19 1HB GLU 19 -4.042 -3.580 -8.775
128 1HG GLU 19 2HG GLU 19 -6.057 -2.557 -9.090
129 2HG GLU 19 1HG GLU 19 -5.806 -1.431 -7.759
130 H LEU 20 H LEU 20 -4.136 -5.495 -7.497
131 HA LEU 20 HA LEU 20 -6.840 -6.279 -7.554
132 1HB LEU 20 2HB LEU 20 -4.266 -7.777 -7.165
133 2HB LEU 20 1HB LEU 20 -5.801 -8.632 -7.009
134 HG LEU 20 HG LEU 20 -5.455 -6.852 -9.379
135 1HD1 LEU 20 1HD1 LEU 20 -4.129 -9.561 -9.064
136 2HD1 LEU 20 2HD1 LEU 20 -3.318 -8.022 -9.351
137 3HD1 LEU 20 3HD1 LEU 20 -4.339 -8.727 -10.604
138 1HD2 LEU 20 1HD2 LEU 20 -7.553 -8.118 -8.888
139 2HD2 LEU 20 2HD2 LEU 20 -6.639 -9.621 -9.003
140 3HD2 LEU 20 3HD2 LEU 20 -6.823 -8.591 -10.422
141 H THR 21 H THR 21 -4.726 -5.869 -4.815
142 HA THR 21 HA THR 21 -6.973 -6.649 -3.007
143 HB THR 21 HB THR 21 -5.341 -7.640 -1.460
144 HG1 THR 21 1HG THR 21 -3.156 -7.893 -2.350
145 1HG2 THR 21 1HG2 THR 21 -6.334 -9.056 -3.262
146 2HG2 THR 21 2HG2 THR 21 -4.737 -9.612 -2.758
147 3HG2 THR 21 3HG2 THR 21 -4.923 -8.713 -4.264
148 HA PRO 22 HA PRO 22 -5.454 -2.433 -1.999
149 1HB PRO 22 2HB PRO 22 -7.920 -1.281 -1.811
150 2HB PRO 22 1HB PRO 22 -7.039 -1.459 -3.336
151 1HG PRO 22 2HG PRO 22 -9.414 -2.905 -2.367
152 2HG PRO 22 1HG PRO 22 -8.840 -2.659 -4.022
153 1HD PRO 22 2HD PRO 22 -8.555 -5.011 -2.427
154 2HD PRO 22 1HD PRO 22 -7.869 -4.716 -4.038
155 H VAL 23 H VAL 23 -6.763 -4.879 -0.229
156 HA VAL 23 HA VAL 23 -6.978 -3.108 2.175
157 HB VAL 23 HB VAL 23 -9.184 -3.986 1.534
158 1HG1 VAL 23 1HG1 VAL 23 -7.687 -6.531 1.444
159 2HG1 VAL 23 2HG1 VAL 23 -9.091 -6.010 0.517
160 3HG1 VAL 23 3HG1 VAL 23 -9.294 -6.603 2.164
161 1HG2 VAL 23 1HG2 VAL 23 -8.407 -5.519 3.989
162 2HG2 VAL 23 2HG2 VAL 23 -9.828 -4.514 3.707
163 3HG2 VAL 23 3HG2 VAL 23 -8.259 -3.761 3.991
164 H CYS 24 H CYS 24 -6.013 -3.833 4.055
165 HA CYS 24 HA CYS 24 -4.369 -6.324 3.832
166 1HB CYS 24 2HB CYS 24 -2.950 -4.315 3.681
167 2HB CYS 24 1HB CYS 24 -3.653 -3.685 5.166
168 H LYS 25 H LYS 25 -5.771 -7.628 5.017
169 HA LYS 25 HA LYS 25 -6.259 -6.775 7.849
170 1HB LYS 25 2HB LYS 25 -8.362 -8.137 7.740
171 2HB LYS 25 1HB LYS 25 -8.379 -6.739 6.666
172 1HG LYS 25 2HG LYS 25 -7.849 -8.115 4.753
173 2HG LYS 25 1HG LYS 25 -7.578 -9.523 5.780
174 1HD LYS 25 2HD LYS 25 -9.756 -9.910 5.040
175 2HD LYS 25 1HD LYS 25 -10.050 -9.069 6.562
176 1HE LYS 25 2HE LYS 25 -10.769 -7.149 5.523
177 2HE LYS 25 1HE LYS 25 -9.707 -7.378 4.133
178 1HZ LYS 25 1HZ LYS 25 -12.242 -7.739 3.880
179 2HZ LYS 25 2HZ LYS 25 -11.930 -9.248 4.596
180 3HZ LYS 25 3HZ LYS 25 -11.168 -8.823 3.138
181 H ARG 26 H ARG 26 -6.009 -8.385 9.428
182 HA ARG 26 HA ARG 26 -5.102 -10.318 10.387
183 1HB ARG 26 2HB ARG 26 -6.365 -11.303 7.857
184 2HB ARG 26 1HB ARG 26 -5.316 -12.402 8.752
185 1HG ARG 26 2HG ARG 26 -6.691 -11.684 10.832
186 2HG ARG 26 1HG ARG 26 -7.868 -11.084 9.664
187 1HD ARG 26 2HD ARG 26 -6.782 -13.880 9.418
188 2HD ARG 26 1HD ARG 26 -8.107 -13.535 10.530
189 HE ARG 26 HE ARG 26 -8.327 -13.701 7.662
190 1HH1 ARG 26 1HH2 ARG 26 -9.506 -11.936 10.442
191 2HH1 ARG 26 2HH2 ARG 26 -11.002 -11.530 9.676
192 1HH2 ARG 26 1HH1 ARG 26 -10.275 -13.154 6.710
193 2HH2 ARG 26 2HH1 ARG 26 -11.435 -12.211 7.586
194 H GLY 27 H GLY 27 -3.367 -8.520 8.876
195 1HA GLY 27 2HA GLY 27 -1.137 -8.451 8.156
196 2HA GLY 27 1HA GLY 27 -0.968 -10.059 8.858
197 H SER 28 H SER 28 -3.313 -9.377 6.339
198 HA SER 28 HA SER 28 -1.548 -10.599 4.290
199 1HB SER 28 2HB SER 28 -4.161 -11.723 5.280
200 2HB SER 28 1HB SER 28 -3.626 -12.022 3.629
201 HG SER 28 HG SER 28 -2.509 -13.562 4.531
202 H CYS 29 H CYS 29 -2.660 -10.452 2.075
203 HA CYS 29 HA CYS 29 -4.193 -7.885 1.962
204 1HB CYS 29 2HB CYS 29 -2.500 -9.249 -0.158
205 2HB CYS 29 1HB CYS 29 -3.369 -7.733 -0.376
206 H VAL 30 H VAL 30 -6.139 -7.810 0.826
207 HA VAL 30 HA VAL 30 -6.927 -10.110 -0.816
208 HB VAL 30 HB VAL 30 -9.022 -10.513 0.396
209 1HG1 VAL 30 1HG1 VAL 30 -6.683 -10.617 2.318
210 2HG1 VAL 30 2HG1 VAL 30 -6.905 -11.751 0.985
211 3HG1 VAL 30 3HG1 VAL 30 -8.089 -11.681 2.291
212 1HG2 VAL 30 1HG2 VAL 30 -9.153 -9.503 2.756
213 2HG2 VAL 30 2HG2 VAL 30 -9.513 -8.422 1.411
214 3HG2 VAL 30 3HG2 VAL 30 -7.939 -8.349 2.205
215 H SER 31 H SER 31 -9.285 -9.610 -1.617
216 HA SER 31 HA SER 31 -9.196 -6.848 -2.643
217 1HB SER 31 2HB SER 31 -11.085 -7.715 -4.127
218 2HB SER 31 1HB SER 31 -9.515 -8.479 -4.355
219 HG SER 31 HG SER 31 -10.653 -10.230 -4.020
220 H SER 32 H SER 32 -10.176 -5.394 -1.346
221 HA SER 32 HA SER 32 -12.379 -6.100 0.426
222 1HB SER 32 2HB SER 32 -12.466 -3.470 0.566
223 2HB SER 32 1HB SER 32 -11.118 -4.341 1.288
224 HG SER 32 HG SER 32 -9.833 -3.714 -0.326
225 H GLY 33 H GLY 33 -12.105 -4.072 -2.509
226 1HA GLY 33 2HA GLY 33 -13.859 -4.350 -4.258
227 2HA GLY 33 1HA GLY 33 -15.030 -4.522 -2.950
228 HA PRO 34 HA PRO 34 -15.471 -0.089 -2.891
229 1HB PRO 34 2HB PRO 34 -16.078 0.351 -0.267
230 2HB PRO 34 1HB PRO 34 -17.181 -0.453 -1.393
231 1HG PRO 34 2HG PRO 34 -15.657 -1.583 0.846
232 2HG PRO 34 1HG PRO 34 -17.079 -2.226 0.015
233 1HD PRO 34 2HD PRO 34 -14.327 -3.005 -0.331
234 2HD PRO 34 1HD PRO 34 -15.758 -3.647 -1.168
235 H GLY 35 H GLY 35 -14.901 1.808 -0.955
236 1HA GLY 35 2HA GLY 35 -11.998 1.484 -0.342
237 2HA GLY 35 1HA GLY 35 -12.553 2.918 -1.206
238 H LEU 36 H LEU 36 -14.929 3.460 0.162
239 HA LEU 36 HA LEU 36 -13.836 4.409 2.750
240 1HB LEU 36 2HB LEU 36 -15.209 5.781 0.916
241 2HB LEU 36 1HB LEU 36 -16.581 5.135 1.817
242 HG LEU 36 HG LEU 36 -15.083 5.942 3.892
243 1HD1 LEU 36 1HD1 LEU 36 -14.338 7.767 1.587
244 2HD1 LEU 36 2HD1 LEU 36 -13.236 6.773 2.540
245 3HD1 LEU 36 3HD1 LEU 36 -14.057 8.144 3.287
246 1HD2 LEU 36 1HD2 LEU 36 -16.839 7.727 2.174
247 2HD2 LEU 36 2HD2 LEU 36 -16.416 8.045 3.857
248 3HD2 LEU 36 3HD2 LEU 36 -17.395 6.637 3.444
249 H VAL 37 H VAL 37 -13.994 2.044 3.476
250 HA VAL 37 HA VAL 37 -16.712 1.567 4.621
251 HB VAL 37 HB VAL 37 -16.166 -0.894 4.437
252 1HG1 VAL 37 1HG1 VAL 37 -17.554 0.534 2.781
253 2HG1 VAL 37 2HG1 VAL 37 -16.997 -1.047 2.232
254 3HG1 VAL 37 3HG1 VAL 37 -16.150 0.413 1.722
255 1HG2 VAL 37 1HG2 VAL 37 -13.635 -0.160 3.985
256 2HG2 VAL 37 2HG2 VAL 37 -14.184 -0.210 2.309
257 3HG2 VAL 37 3HG2 VAL 37 -14.293 -1.654 3.316
258 H GLY 38 H GLY 38 -16.645 0.318 6.662
259 1HA GLY 38 2HA GLY 38 -15.799 -0.086 8.812
260 2HA GLY 38 1HA GLY 38 -14.214 -0.259 8.057
261 H GLY 39 H GLY 39 -16.451 2.030 9.520
262 1HA GLY 39 2HA GLY 39 -14.216 3.712 10.371
263 2HA GLY 39 1HA GLY 39 -15.272 4.492 9.192
264 H ILE 40 H ILE 40 -15.195 5.717 11.575
265 HA ILE 40 HA ILE 40 -17.475 4.705 13.194
266 HB ILE 40 HB ILE 40 -15.608 7.029 13.762
267 1HG1 ILE 40 2HG1 ILE 40 -15.522 4.234 14.934
268 2HG1 ILE 40 1HG1 ILE 40 -14.506 4.741 13.584
269 1HG2 ILE 40 1HG2 ILE 40 -17.853 5.682 15.206
270 2HG2 ILE 40 2HG2 ILE 40 -17.402 7.387 15.175
271 3HG2 ILE 40 3HG2 ILE 40 -16.481 6.248 16.159
272 1HD1 ILE 40 1HD1 ILE 40 -13.625 6.602 14.995
273 2HD1 ILE 40 2HD1 ILE 40 -13.263 5.013 15.668
274 3HD1 ILE 40 3HD1 ILE 40 -14.569 5.983 16.350
275 H LEU 41 H LEU 41 -18.362 5.554 10.782
276 HA LEU 41 HA LEU 41 -19.258 8.373 11.123
277 1HB LEU 41 2HB LEU 41 -20.042 8.136 8.757
278 2HB LEU 41 1HB LEU 41 -18.308 7.874 8.938
279 HG LEU 41 HG LEU 41 -19.981 5.448 9.243
280 1HD1 LEU 41 1HD1 LEU 41 -21.253 6.101 7.421
281 2HD1 LEU 41 2HD1 LEU 41 -19.882 5.368 6.587
282 3HD1 LEU 41 3HD1 LEU 41 -19.974 7.121 6.761
283 1HD2 LEU 41 1HD2 LEU 41 -17.341 5.900 9.014
284 2HD2 LEU 41 2HD2 LEU 41 -17.730 5.720 7.303
285 3HD2 LEU 41 3HD2 LEU 41 -18.087 4.412 8.432
286 H GLY 42 H GLY 42 -21.642 8.607 10.143
287 1HA GLY 42 2HA GLY 42 -23.343 6.922 11.861
288 2HA GLY 42 1HA GLY 42 -23.868 8.344 10.957
289 H GLY 43 H GLY 43 -22.445 5.153 10.154
290 1HA GLY 43 2HA GLY 43 -24.767 4.501 8.481
291 2HA GLY 43 1HA GLY 43 -23.272 4.770 7.584
292 H ILE 44 H ILE 44 -25.085 2.479 9.300
293 HA ILE 44 HA ILE 44 -22.722 0.645 9.421
294 HB ILE 44 HB ILE 44 -25.222 0.509 11.132
295 1HG1 ILE 44 2HG1 ILE 44 -22.439 1.401 11.944
296 2HG1 ILE 44 1HG1 ILE 44 -23.744 2.525 11.556
297 1HG2 ILE 44 1HG2 ILE 44 -23.776 -1.583 10.580
298 2HG2 ILE 44 2HG2 ILE 44 -24.159 -1.258 12.271
299 3HG2 ILE 44 3HG2 ILE 44 -22.571 -0.837 11.631
300 1HD1 ILE 44 1HD1 ILE 44 -23.477 0.662 13.888
301 2HD1 ILE 44 2HD1 ILE 44 -25.092 1.058 13.300
302 3HD1 ILE 44 3HD1 ILE 44 -24.017 2.341 13.855
303 H LEU 45 H LEU 45 -26.216 0.897 8.812
304 HA LEU 45 HA LEU 45 -26.294 -1.801 7.636
305 1HB LEU 45 2HB LEU 45 -28.380 0.381 7.916
306 2HB LEU 45 1HB LEU 45 -28.695 -1.186 7.170
307 HG LEU 45 HG LEU 45 -27.562 -0.914 9.960
308 1HD1 LEU 45 1HD1 LEU 45 -30.100 -1.688 10.402
309 2HD1 LEU 45 2HD1 LEU 45 -30.361 -0.706 8.960
310 3HD1 LEU 45 3HD1 LEU 45 -29.623 0.010 10.393
311 1HD2 LEU 45 1HD2 LEU 45 -28.844 -3.146 8.360
312 2HD2 LEU 45 2HD2 LEU 45 -28.564 -3.247 10.099
313 3HD2 LEU 45 3HD2 LEU 45 -27.198 -3.089 8.994
Start of MODEL 8
1 1H LEU 1 1HT LEU 1 2.890 0.452 -16.506
2 2H LEU 1 2HT LEU 1 3.767 1.271 -15.303
3 3H LEU 1 3HT LEU 1 2.742 2.134 -16.348
4 HA LEU 1 HA LEU 1 1.496 2.000 -14.417
5 1HB LEU 1 2HB LEU 1 0.734 -0.467 -16.008
6 2HB LEU 1 1HB LEU 1 -0.326 0.478 -14.962
7 HG LEU 1 HG LEU 1 0.490 2.463 -16.547
8 1HD1 LEU 1 1HD1 LEU 1 1.143 -0.063 -17.983
9 2HD1 LEU 1 2HD1 LEU 1 1.894 1.527 -18.109
10 3HD1 LEU 1 3HD1 LEU 1 0.363 1.207 -18.925
11 1HD2 LEU 1 1HD2 LEU 1 -1.520 1.952 -17.991
12 2HD2 LEU 1 2HD2 LEU 1 -1.839 1.880 -16.258
13 3HD2 LEU 1 3HD2 LEU 1 -1.630 0.390 -17.178
14 H LEU 2 H LEU 2 2.491 1.501 -12.480
15 HA LEU 2 HA LEU 2 2.826 -1.408 -11.866
16 1HB LEU 2 2HB LEU 2 4.572 -0.603 -10.184
17 2HB LEU 2 1HB LEU 2 5.026 -0.482 -11.883
18 HG LEU 2 HG LEU 2 3.634 1.893 -10.782
19 1HD1 LEU 2 1HD1 LEU 2 4.923 1.725 -8.858
20 2HD1 LEU 2 2HD1 LEU 2 6.039 2.592 -9.913
21 3HD1 LEU 2 3HD1 LEU 2 6.218 0.854 -9.677
22 1HD2 LEU 2 1HD2 LEU 2 4.465 2.102 -12.983
23 2HD2 LEU 2 2HD2 LEU 2 5.977 1.286 -12.583
24 3HD2 LEU 2 3HD2 LEU 2 5.679 2.925 -12.004
25 H ALA 3 H ALA 3 1.247 -2.018 -10.491
26 HA ALA 3 HA ALA 3 0.556 -0.188 -8.235
27 1HB ALA 3 1HB ALA 3 -1.165 -0.292 -10.188
28 2HB ALA 3 2HB ALA 3 -1.760 -0.494 -8.541
29 3HB ALA 3 3HB ALA 3 -1.530 -1.905 -9.574
30 H CYS 4 H CYS 4 2.347 -1.946 -7.591
31 HA CYS 4 HA CYS 4 1.139 -3.698 -5.703
32 1HB CYS 4 2HB CYS 4 0.559 -4.995 -7.754
33 2HB CYS 4 1HB CYS 4 2.271 -5.085 -8.156
34 H LEU 5 H LEU 5 2.706 -2.896 -4.326
35 HA LEU 5 HA LEU 5 5.525 -2.794 -5.018
36 1HB LEU 5 2HB LEU 5 4.300 -2.720 -2.247
37 2HB LEU 5 1HB LEU 5 5.879 -2.101 -2.730
38 HG LEU 5 HG LEU 5 3.238 -1.078 -3.807
39 1HD1 LEU 5 1HD1 LEU 5 5.113 0.181 -1.783
40 2HD1 LEU 5 2HD1 LEU 5 3.576 -0.588 -1.382
41 3HD1 LEU 5 3HD1 LEU 5 3.601 0.867 -2.378
42 1HD2 LEU 5 1HD2 LEU 5 6.125 -0.214 -4.119
43 2HD2 LEU 5 2HD2 LEU 5 4.766 0.827 -4.540
44 3HD2 LEU 5 3HD2 LEU 5 5.006 -0.698 -5.392
45 H PHE 6 H PHE 6 3.418 -5.123 -3.453
46 HA PHE 6 HA PHE 6 5.720 -7.019 -3.372
47 1HB PHE 6 2HB PHE 6 3.715 -6.524 -1.155
48 2HB PHE 6 1HB PHE 6 4.797 -7.914 -1.203
49 HD1 PHE 6 1HD PHE 6 4.448 -4.492 -0.236
50 HD2 PHE 6 2HD PHE 6 7.337 -7.422 -1.470
51 HE1 PHE 6 1HE PHE 6 6.264 -3.111 0.738
52 HE2 PHE 6 2HE PHE 6 9.153 -6.041 -0.496
53 HZ PHE 6 HZ PHE 6 8.616 -3.886 0.607
54 H GLY 7 H GLY 7 2.359 -7.418 -2.290
55 1HA GLY 7 2HA GLY 7 0.598 -8.660 -3.269
56 2HA GLY 7 1HA GLY 7 1.599 -8.882 -4.705
57 H ASN 8 H ASN 8 2.787 -9.661 -1.496
58 HA ASN 8 HA ASN 8 3.052 -12.487 -2.346
59 1HB ASN 8 2HB ASN 8 4.216 -10.914 -0.037
60 2HB ASN 8 1HB ASN 8 4.457 -12.649 -0.245
61 1HD2 ASN 8 1HD2 ASN 8 6.377 -10.230 -0.519
62 2HD2 ASN 8 2HD2 ASN 8 7.104 -10.466 -2.034
63 H GLY 9 H GLY 9 0.578 -10.891 -1.030
64 1HA GLY 9 2HA GLY 9 -1.312 -11.746 0.073
65 2HA GLY 9 1HA GLY 9 -0.432 -13.245 0.336
66 H ARG 10 H ARG 10 1.645 -10.918 1.444
67 HA ARG 10 HA ARG 10 0.438 -10.943 4.178
68 1HB ARG 10 2HB ARG 10 2.785 -11.093 5.048
69 2HB ARG 10 1HB ARG 10 2.290 -12.524 4.140
70 1HG ARG 10 2HG ARG 10 3.376 -11.573 2.119
71 2HG ARG 10 1HG ARG 10 3.944 -10.217 3.083
72 1HD ARG 10 2HD ARG 10 4.835 -12.232 4.630
73 2HD ARG 10 1HD ARG 10 4.869 -13.047 3.067
74 HE ARG 10 HE ARG 10 6.671 -11.665 2.441
75 1HH1 ARG 10 1HH2 ARG 10 5.040 -10.331 5.232
76 2HH1 ARG 10 2HH2 ARG 10 6.232 -9.100 5.465
77 1HH2 ARG 10 1HH1 ARG 10 8.190 -10.059 2.780
78 2HH2 ARG 10 2HH1 ARG 10 7.997 -8.947 4.095
79 H CYS 11 H CYS 11 0.466 -8.993 5.226
80 HA CYS 11 HA CYS 11 2.204 -6.808 4.243
81 1HB CYS 11 2HB CYS 11 0.227 -5.256 4.088
82 2HB CYS 11 1HB CYS 11 0.286 -6.485 2.833
83 H SER 12 H SER 12 1.993 -4.847 5.607
84 HA SER 12 HA SER 12 1.391 -5.589 8.433
85 1HB SER 12 2HB SER 12 2.871 -3.601 8.966
86 2HB SER 12 1HB SER 12 3.699 -4.941 8.177
87 HG SER 12 HG SER 12 4.036 -3.713 6.501
88 H SER 13 H SER 13 0.670 -3.399 5.846
89 HA SER 13 HA SER 13 -1.615 -2.319 7.361
90 1HB SER 13 2HB SER 13 -1.039 0.011 6.774
91 2HB SER 13 1HB SER 13 0.214 -0.702 7.784
92 HG SER 13 HG SER 13 1.562 -0.509 6.185
93 H ASN 14 H ASN 14 -2.736 -0.659 5.612
94 HA ASN 14 HA ASN 14 -3.519 -2.338 3.413
95 1HB ASN 14 2HB ASN 14 -4.094 0.459 4.287
96 2HB ASN 14 1HB ASN 14 -4.461 0.031 2.615
97 1HD2 ASN 14 1HD2 ASN 14 -6.706 -0.318 2.616
98 2HD2 ASN 14 2HD2 ASN 14 -7.514 -1.355 3.690
99 H ARG 15 H ARG 15 -1.239 0.354 3.703
100 HA ARG 15 HA ARG 15 -0.770 0.667 0.883
101 1HB ARG 15 2HB ARG 15 0.569 1.552 3.393
102 2HB ARG 15 1HB ARG 15 1.525 1.589 1.910
103 1HG ARG 15 2HG ARG 15 -0.473 2.811 0.850
104 2HG ARG 15 1HG ARG 15 -1.063 3.034 2.497
105 1HD ARG 15 2HD ARG 15 0.666 4.462 3.072
106 2HD ARG 15 1HD ARG 15 1.781 3.750 1.906
107 HE ARG 15 HE ARG 15 -0.451 5.117 0.632
108 1HH1 ARG 15 1HH2 ARG 15 2.719 5.517 2.054
109 2HH1 ARG 15 2HH2 ARG 15 3.048 6.958 1.158
110 1HH2 ARG 15 1HH1 ARG 15 0.018 6.985 -0.507
111 2HH2 ARG 15 2HH1 ARG 15 1.537 7.783 -0.275
112 H ASP 16 H ASP 16 0.110 -1.867 2.985
113 HA ASP 16 HA ASP 16 2.557 -2.557 1.491
114 1HB ASP 16 2HB ASP 16 1.186 -3.534 3.946
115 2HB ASP 16 1HB ASP 16 2.210 -4.675 3.077
116 H CYS 17 H CYS 17 -0.431 -2.664 0.440
117 HA CYS 17 HA CYS 17 -0.259 -5.491 -0.531
118 1HB CYS 17 2HB CYS 17 -2.685 -3.726 -0.105
119 2HB CYS 17 1HB CYS 17 -2.727 -5.308 -0.883
120 H CYS 18 H CYS 18 -1.940 -5.428 -2.682
121 HA CYS 18 HA CYS 18 -0.659 -3.393 -4.470
122 1HB CYS 18 2HB CYS 18 -1.662 -6.147 -5.247
123 2HB CYS 18 1HB CYS 18 -0.764 -5.025 -6.265
124 H GLU 19 H GLU 19 -2.107 -3.359 -6.649
125 HA GLU 19 HA GLU 19 -4.528 -2.022 -5.973
126 1HB GLU 19 2HB GLU 19 -3.138 -1.887 -8.147
127 2HB GLU 19 1HB GLU 19 -4.044 -3.314 -8.655
128 1HG GLU 19 2HG GLU 19 -5.213 -1.358 -9.476
129 2HG GLU 19 1HG GLU 19 -6.166 -2.053 -8.164
130 H LEU 20 H LEU 20 -4.057 -5.287 -7.383
131 HA LEU 20 HA LEU 20 -6.758 -6.074 -7.521
132 1HB LEU 20 2HB LEU 20 -4.497 -7.311 -8.166
133 2HB LEU 20 1HB LEU 20 -4.729 -8.068 -6.590
134 HG LEU 20 HG LEU 20 -7.137 -8.541 -7.361
135 1HD1 LEU 20 1HD1 LEU 20 -5.844 -8.000 -10.052
136 2HD1 LEU 20 2HD1 LEU 20 -7.061 -6.972 -9.293
137 3HD1 LEU 20 3HD1 LEU 20 -7.475 -8.614 -9.787
138 1HD2 LEU 20 1HD2 LEU 20 -5.521 -10.334 -7.178
139 2HD2 LEU 20 2HD2 LEU 20 -4.742 -9.849 -8.684
140 3HD2 LEU 20 3HD2 LEU 20 -6.368 -10.532 -8.712
141 H THR 21 H THR 21 -4.714 -5.693 -4.728
142 HA THR 21 HA THR 21 -6.990 -6.532 -2.986
143 HB THR 21 HB THR 21 -5.380 -7.520 -1.415
144 HG1 THR 21 1HG THR 21 -3.456 -6.885 -3.404
145 1HG2 THR 21 1HG2 THR 21 -4.535 -9.398 -2.876
146 2HG2 THR 21 2HG2 THR 21 -5.111 -8.487 -4.272
147 3HG2 THR 21 3HG2 THR 21 -6.255 -9.054 -3.057
148 HA PRO 22 HA PRO 22 -5.566 -2.315 -1.871
149 1HB PRO 22 2HB PRO 22 -8.059 -1.222 -1.669
150 2HB PRO 22 1HB PRO 22 -7.165 -1.345 -3.192
151 1HG PRO 22 2HG PRO 22 -9.514 -2.863 -2.273
152 2HG PRO 22 1HG PRO 22 -8.933 -2.570 -3.917
153 1HD PRO 22 2HD PRO 22 -8.607 -4.948 -2.371
154 2HD PRO 22 1HD PRO 22 -7.920 -4.604 -3.970
155 H VAL 23 H VAL 23 -6.825 -4.826 -0.161
156 HA VAL 23 HA VAL 23 -7.086 -3.119 2.282
157 HB VAL 23 HB VAL 23 -9.271 -4.031 1.616
158 1HG1 VAL 23 1HG1 VAL 23 -9.129 -6.027 0.551
159 2HG1 VAL 23 2HG1 VAL 23 -9.324 -6.663 2.181
160 3HG1 VAL 23 3HG1 VAL 23 -7.717 -6.540 1.470
161 1HG2 VAL 23 1HG2 VAL 23 -9.907 -4.690 3.774
162 2HG2 VAL 23 2HG2 VAL 23 -8.405 -3.813 4.070
163 3HG2 VAL 23 3HG2 VAL 23 -8.406 -5.577 4.044
164 H CYS 24 H CYS 24 -6.082 -3.851 4.137
165 HA CYS 24 HA CYS 24 -4.403 -6.315 3.865
166 1HB CYS 24 2HB CYS 24 -3.002 -4.298 3.734
167 2HB CYS 24 1HB CYS 24 -3.713 -3.679 5.220
168 H LYS 25 H LYS 25 -5.776 -7.655 5.038
169 HA LYS 25 HA LYS 25 -6.195 -6.889 7.903
170 1HB LYS 25 2HB LYS 25 -8.278 -6.872 6.322
171 2HB LYS 25 1HB LYS 25 -8.156 -8.628 6.422
172 1HG LYS 25 2HG LYS 25 -8.847 -8.683 8.594
173 2HG LYS 25 1HG LYS 25 -7.948 -7.225 9.019
174 1HD LYS 25 2HD LYS 25 -10.504 -7.215 7.389
175 2HD LYS 25 1HD LYS 25 -10.447 -6.944 9.131
176 1HE LYS 25 2HE LYS 25 -8.557 -5.179 8.337
177 2HE LYS 25 1HE LYS 25 -9.594 -5.165 6.910
178 1HZ LYS 25 1HZ LYS 25 -10.267 -4.453 9.692
179 2HZ LYS 25 2HZ LYS 25 -11.484 -4.927 8.603
180 3HZ LYS 25 3HZ LYS 25 -10.526 -3.564 8.272
181 H ARG 26 H ARG 26 -6.100 -8.649 9.394
182 HA ARG 26 HA ARG 26 -5.263 -10.673 10.219
183 1HB ARG 26 2HB ARG 26 -6.445 -11.413 7.576
184 2HB ARG 26 1HB ARG 26 -5.402 -12.595 8.367
185 1HG ARG 26 2HG ARG 26 -6.848 -12.009 10.491
186 2HG ARG 26 1HG ARG 26 -8.021 -11.462 9.293
187 1HD ARG 26 2HD ARG 26 -7.715 -13.720 8.148
188 2HD ARG 26 1HD ARG 26 -6.839 -14.230 9.592
189 HE ARG 26 HE ARG 26 -9.721 -13.869 9.375
190 1HH1 ARG 26 1HH2 ARG 26 -6.980 -13.820 11.546
191 2HH1 ARG 26 2HH2 ARG 26 -7.950 -14.148 12.939
192 1HH2 ARG 26 1HH1 ARG 26 -10.938 -14.293 11.203
193 2HH2 ARG 26 2HH1 ARG 26 -10.167 -14.414 12.749
194 H GLY 27 H GLY 27 -3.488 -8.750 8.863
195 1HA GLY 27 2HA GLY 27 -1.229 -8.625 8.250
196 2HA GLY 27 1HA GLY 27 -1.074 -10.271 8.862
197 H SER 28 H SER 28 -3.342 -9.486 6.305
198 HA SER 28 HA SER 28 -1.482 -10.521 4.246
199 1HB SER 28 2HB SER 28 -3.991 -11.867 5.181
200 2HB SER 28 1HB SER 28 -3.557 -11.965 3.476
201 HG SER 28 HG SER 28 -2.040 -13.318 3.990
202 H CYS 29 H CYS 29 -2.610 -10.368 2.017
203 HA CYS 29 HA CYS 29 -4.206 -7.838 1.980
204 1HB CYS 29 2HB CYS 29 -2.480 -9.099 -0.178
205 2HB CYS 29 1HB CYS 29 -3.383 -7.595 -0.352
206 H VAL 30 H VAL 30 -6.147 -7.772 0.833
207 HA VAL 30 HA VAL 30 -6.878 -10.046 -0.871
208 HB VAL 30 HB VAL 30 -8.975 -10.516 0.319
209 1HG1 VAL 30 1HG1 VAL 30 -6.795 -11.702 0.881
210 2HG1 VAL 30 2HG1 VAL 30 -8.033 -11.760 2.136
211 3HG1 VAL 30 3HG1 VAL 30 -6.679 -10.642 2.285
212 1HG2 VAL 30 1HG2 VAL 30 -7.934 -8.382 2.185
213 2HG2 VAL 30 2HG2 VAL 30 -9.117 -9.578 2.714
214 3HG2 VAL 30 3HG2 VAL 30 -9.508 -8.471 1.397
215 H SER 31 H SER 31 -9.253 -9.571 -1.659
216 HA SER 31 HA SER 31 -9.209 -6.787 -2.623
217 1HB SER 31 2HB SER 31 -11.095 -9.003 -3.444
218 2HB SER 31 1HB SER 31 -10.755 -7.511 -4.316
219 HG SER 31 HG SER 31 -9.340 -8.760 -5.276
220 H SER 32 H SER 32 -10.160 -5.409 -1.198
221 HA SER 32 HA SER 32 -12.281 -6.124 0.604
222 1HB SER 32 2HB SER 32 -12.594 -3.472 0.474
223 2HB SER 32 1HB SER 32 -11.234 -4.199 1.324
224 HG SER 32 HG SER 32 -10.698 -2.515 -0.232
225 H GLY 33 H GLY 33 -12.260 -4.620 -2.613
226 1HA GLY 33 2HA GLY 33 -13.978 -4.373 -4.187
227 2HA GLY 33 1HA GLY 33 -14.835 -5.645 -3.317
228 HA PRO 34 HA PRO 34 -16.737 -1.404 -2.318
229 1HB PRO 34 2HB PRO 34 -18.366 -0.936 -4.456
230 2HB PRO 34 1HB PRO 34 -16.689 -0.373 -4.374
231 1HG PRO 34 2HG PRO 34 -17.861 -2.495 -6.031
232 2HG PRO 34 1HG PRO 34 -16.344 -1.610 -6.242
233 1HD PRO 34 2HD PRO 34 -16.706 -4.263 -5.181
234 2HD PRO 34 1HD PRO 34 -15.186 -3.368 -5.391
235 H GLY 35 H GLY 35 -17.470 -3.962 -1.454
236 1HA GLY 35 2HA GLY 35 -19.353 -4.942 -0.421
237 2HA GLY 35 1HA GLY 35 -20.347 -3.658 -1.108
238 H LEU 36 H LEU 36 -18.280 -6.184 -2.575
239 HA LEU 36 HA LEU 36 -20.017 -6.607 -4.808
240 1HB LEU 36 2HB LEU 36 -17.691 -8.036 -3.601
241 2HB LEU 36 1HB LEU 36 -18.706 -8.943 -4.724
242 HG LEU 36 HG LEU 36 -17.628 -6.196 -5.381
243 1HD1 LEU 36 1HD1 LEU 36 -15.807 -7.258 -6.566
244 2HD1 LEU 36 2HD1 LEU 36 -16.436 -8.863 -6.191
245 3HD1 LEU 36 3HD1 LEU 36 -15.782 -7.849 -4.905
246 1HD2 LEU 36 1HD2 LEU 36 -17.998 -7.173 -7.727
247 2HD2 LEU 36 2HD2 LEU 36 -19.449 -6.805 -6.796
248 3HD2 LEU 36 3HD2 LEU 36 -18.885 -8.472 -6.929
249 H VAL 37 H VAL 37 -21.331 -8.539 -5.239
250 HA VAL 37 HA VAL 37 -22.459 -9.754 -2.742
251 HB VAL 37 HB VAL 37 -24.063 -9.308 -5.264
252 1HG1 VAL 37 1HG1 VAL 37 -24.584 -10.086 -2.420
253 2HG1 VAL 37 2HG1 VAL 37 -25.250 -10.763 -3.906
254 3HG1 VAL 37 3HG1 VAL 37 -25.842 -9.216 -3.300
255 1HG2 VAL 37 1HG2 VAL 37 -23.690 -7.066 -4.808
256 2HG2 VAL 37 2HG2 VAL 37 -23.356 -7.362 -3.102
257 3HG2 VAL 37 3HG2 VAL 37 -25.019 -7.362 -3.687
258 H GLY 38 H GLY 38 -23.573 -11.896 -3.235
259 1HA GLY 38 2HA GLY 38 -23.587 -13.537 -5.326
260 2HA GLY 38 1HA GLY 38 -21.844 -13.452 -5.068
261 H GLY 39 H GLY 39 -21.919 -13.305 -2.204
262 1HA GLY 39 2HA GLY 39 -22.669 -16.129 -1.615
263 2HA GLY 39 1HA GLY 39 -21.483 -15.184 -0.713
264 H ILE 40 H ILE 40 -24.315 -16.546 -0.211
265 HA ILE 40 HA ILE 40 -25.731 -14.253 1.001
266 HB ILE 40 HB ILE 40 -26.465 -17.197 1.014
267 1HG1 ILE 40 2HG1 ILE 40 -27.441 -14.988 -0.824
268 2HG1 ILE 40 1HG1 ILE 40 -26.238 -16.195 -1.282
269 1HG2 ILE 40 1HG2 ILE 40 -27.830 -14.647 1.832
270 2HG2 ILE 40 2HG2 ILE 40 -27.777 -16.198 2.670
271 3HG2 ILE 40 3HG2 ILE 40 -28.796 -16.000 1.244
272 1HD1 ILE 40 1HD1 ILE 40 -29.087 -16.756 -0.407
273 2HD1 ILE 40 2HD1 ILE 40 -27.883 -17.990 -0.777
274 3HD1 ILE 40 3HD1 ILE 40 -28.453 -16.906 -2.046
275 H LEU 41 H LEU 41 -23.349 -14.458 2.250
276 HA LEU 41 HA LEU 41 -23.556 -16.202 4.610
277 1HB LEU 41 2HB LEU 41 -21.531 -14.132 3.726
278 2HB LEU 41 1HB LEU 41 -21.416 -14.989 5.263
279 HG LEU 41 HG LEU 41 -21.784 -16.548 2.722
280 1HD1 LEU 41 1HD1 LEU 41 -19.235 -15.290 3.752
281 2HD1 LEU 41 2HD1 LEU 41 -19.905 -15.210 2.123
282 3HD1 LEU 41 3HD1 LEU 41 -19.224 -16.721 2.723
283 1HD2 LEU 41 1HD2 LEU 41 -20.065 -17.264 5.080
284 2HD2 LEU 41 2HD2 LEU 41 -20.958 -18.326 3.992
285 3HD2 LEU 41 3HD2 LEU 41 -21.819 -17.395 5.218
286 H GLY 42 H GLY 42 -24.989 -15.563 6.153
287 1HA GLY 42 2HA GLY 42 -25.733 -14.196 7.948
288 2HA GLY 42 1HA GLY 42 -24.700 -12.897 7.349
289 H GLY 43 H GLY 43 -27.865 -13.749 7.753
290 1HA GLY 43 2HA GLY 43 -28.760 -11.636 5.903
291 2HA GLY 43 1HA GLY 43 -29.419 -13.244 5.601
292 H ILE 44 H ILE 44 -31.457 -13.318 6.399
293 HA ILE 44 HA ILE 44 -31.991 -11.999 9.030
294 HB ILE 44 HB ILE 44 -33.985 -12.801 6.891
295 1HG1 ILE 44 2HG1 ILE 44 -32.474 -11.022 6.080
296 2HG1 ILE 44 1HG1 ILE 44 -34.094 -10.390 6.359
297 1HG2 ILE 44 1HG2 ILE 44 -34.203 -11.153 9.425
298 2HG2 ILE 44 2HG2 ILE 44 -34.994 -12.694 9.090
299 3HG2 ILE 44 3HG2 ILE 44 -35.469 -11.247 8.199
300 1HD1 ILE 44 1HD1 ILE 44 -31.675 -10.081 8.159
301 2HD1 ILE 44 2HD1 ILE 44 -33.311 -9.630 8.640
302 3HD1 ILE 44 3HD1 ILE 44 -32.530 -8.805 7.292
303 H LEU 45 H LEU 45 -32.771 -13.250 10.701
304 HA LEU 45 HA LEU 45 -32.718 -16.173 10.318
305 1HB LEU 45 2HB LEU 45 -31.854 -14.648 12.363
306 2HB LEU 45 1HB LEU 45 -33.491 -14.979 12.935
307 HG LEU 45 HG LEU 45 -31.807 -17.231 11.878
308 1HD1 LEU 45 1HD1 LEU 45 -30.625 -17.499 13.864
309 2HD1 LEU 45 2HD1 LEU 45 -31.790 -16.567 14.803
310 3HD1 LEU 45 3HD1 LEU 45 -30.655 -15.741 13.736
311 1HD2 LEU 45 1HD2 LEU 45 -34.205 -17.581 12.373
312 2HD2 LEU 45 2HD2 LEU 45 -33.946 -17.012 14.022
313 3HD2 LEU 45 3HD2 LEU 45 -33.189 -18.509 13.477
Start of MODEL 9
1 1H LEU 1 1HT LEU 1 3.166 0.255 -15.941
2 2H LEU 1 2HT LEU 1 3.418 -1.111 -16.919
3 3H LEU 1 3HT LEU 1 4.431 -0.818 -15.587
4 HA LEU 1 HA LEU 1 1.537 -1.160 -15.179
5 1HB LEU 1 2HB LEU 1 3.614 -3.311 -15.635
6 2HB LEU 1 1HB LEU 1 2.127 -3.613 -14.735
7 HG LEU 1 HG LEU 1 1.829 -2.250 -17.362
8 1HD1 LEU 1 1HD1 LEU 1 3.567 -4.135 -17.624
9 2HD1 LEU 1 2HD1 LEU 1 2.152 -4.200 -18.675
10 3HD1 LEU 1 3HD1 LEU 1 2.245 -5.240 -17.253
11 1HD2 LEU 1 1HD2 LEU 1 0.373 -4.556 -16.028
12 2HD2 LEU 1 2HD2 LEU 1 -0.178 -3.650 -17.438
13 3HD2 LEU 1 3HD2 LEU 1 -0.076 -2.858 -15.865
14 H LEU 2 H LEU 2 1.824 0.171 -13.323
15 HA LEU 2 HA LEU 2 3.509 -1.065 -11.180
16 1HB LEU 2 2HB LEU 2 3.271 1.760 -12.090
17 2HB LEU 2 1HB LEU 2 3.373 1.493 -10.350
18 HG LEU 2 HG LEU 2 5.310 0.305 -12.354
19 1HD1 LEU 2 1HD1 LEU 2 5.566 2.720 -12.379
20 2HD1 LEU 2 2HD1 LEU 2 6.891 2.031 -11.439
21 3HD1 LEU 2 3HD1 LEU 2 5.522 2.782 -10.617
22 1HD2 LEU 2 1HD2 LEU 2 6.659 0.154 -10.135
23 2HD2 LEU 2 2HD2 LEU 2 5.360 -1.011 -10.394
24 3HD2 LEU 2 3HD2 LEU 2 5.099 0.383 -9.345
25 H ALA 3 H ALA 3 2.023 -2.062 -9.891
26 HA ALA 3 HA ALA 3 0.105 -0.481 -8.411
27 1HB ALA 3 1HB ALA 3 -0.862 -1.190 -10.853
28 2HB ALA 3 2HB ALA 3 -1.878 -0.992 -9.427
29 3HB ALA 3 3HB ALA 3 -1.336 -2.600 -9.906
30 H CYS 4 H CYS 4 2.252 -2.221 -7.754
31 HA CYS 4 HA CYS 4 1.058 -3.857 -5.755
32 1HB CYS 4 2HB CYS 4 0.440 -5.257 -7.730
33 2HB CYS 4 1HB CYS 4 2.146 -5.386 -8.142
34 H LEU 5 H LEU 5 2.655 -2.996 -4.445
35 HA LEU 5 HA LEU 5 5.448 -2.879 -5.167
36 1HB LEU 5 2HB LEU 5 4.254 -2.870 -2.380
37 2HB LEU 5 1HB LEU 5 5.831 -2.242 -2.857
38 HG LEU 5 HG LEU 5 3.187 -1.201 -3.909
39 1HD1 LEU 5 1HD1 LEU 5 3.374 0.607 -2.387
40 2HD1 LEU 5 2HD1 LEU 5 5.043 0.203 -1.987
41 3HD1 LEU 5 3HD1 LEU 5 3.727 -0.823 -1.417
42 1HD2 LEU 5 1HD2 LEU 5 4.734 0.727 -4.585
43 2HD2 LEU 5 2HD2 LEU 5 4.922 -0.769 -5.499
44 3HD2 LEU 5 3HD2 LEU 5 6.077 -0.360 -4.231
45 H PHE 6 H PHE 6 3.435 -5.239 -3.512
46 HA PHE 6 HA PHE 6 5.753 -7.120 -3.558
47 1HB PHE 6 2HB PHE 6 3.820 -6.641 -1.279
48 2HB PHE 6 1HB PHE 6 4.858 -8.064 -1.381
49 HD1 PHE 6 1HD PHE 6 7.250 -7.910 -1.043
50 HD2 PHE 6 2HD PHE 6 4.795 -4.385 -1.019
51 HE1 PHE 6 1HE PHE 6 9.137 -6.602 -0.104
52 HE2 PHE 6 2HE PHE 6 6.682 -3.078 -0.079
53 HZ PHE 6 HZ PHE 6 8.852 -4.186 0.378
54 H GLY 7 H GLY 7 2.425 -7.549 -2.397
55 1HA GLY 7 2HA GLY 7 0.633 -8.735 -3.416
56 2HA GLY 7 1HA GLY 7 1.669 -9.051 -4.809
57 H ASN 8 H ASN 8 2.758 -9.721 -1.542
58 HA ASN 8 HA ASN 8 2.905 -12.601 -2.249
59 1HB ASN 8 2HB ASN 8 4.164 -10.951 -0.045
60 2HB ASN 8 1HB ASN 8 4.308 -12.708 -0.135
61 1HD2 ASN 8 1HD2 ASN 8 5.033 -13.466 -2.498
62 2HD2 ASN 8 2HD2 ASN 8 6.296 -12.564 -3.185
63 H GLY 9 H GLY 9 0.470 -10.897 -1.120
64 1HA GLY 9 2HA GLY 9 -1.406 -11.462 0.152
65 2HA GLY 9 1HA GLY 9 -0.706 -13.065 0.344
66 H ARG 10 H ARG 10 1.490 -10.661 1.369
67 HA ARG 10 HA ARG 10 0.531 -10.878 4.189
68 1HB ARG 10 2HB ARG 10 2.948 -11.030 4.857
69 2HB ARG 10 1HB ARG 10 2.388 -12.432 3.941
70 1HG ARG 10 2HG ARG 10 3.274 -11.363 1.868
71 2HG ARG 10 1HG ARG 10 3.947 -10.074 2.854
72 1HD ARG 10 2HD ARG 10 5.390 -11.616 4.020
73 2HD ARG 10 1HD ARG 10 4.595 -13.003 3.275
74 HE ARG 10 HE ARG 10 5.930 -12.666 1.369
75 1HH1 ARG 10 1HH2 ARG 10 5.879 -9.761 3.315
76 2HH1 ARG 10 2HH2 ARG 10 7.055 -8.961 2.331
77 1HH2 ARG 10 1HH1 ARG 10 7.449 -11.594 0.125
78 2HH2 ARG 10 2HH1 ARG 10 7.935 -9.986 0.545
79 H CYS 11 H CYS 11 0.511 -8.935 5.233
80 HA CYS 11 HA CYS 11 2.223 -6.718 4.282
81 1HB CYS 11 2HB CYS 11 0.221 -5.181 4.181
82 2HB CYS 11 1HB CYS 11 0.305 -6.367 2.887
83 H SER 12 H SER 12 1.974 -4.771 5.669
84 HA SER 12 HA SER 12 1.405 -5.560 8.491
85 1HB SER 12 2HB SER 12 3.745 -4.806 7.946
86 2HB SER 12 1HB SER 12 3.079 -3.239 7.490
87 HG SER 12 HG SER 12 2.241 -3.088 9.622
88 H SER 13 H SER 13 0.674 -3.324 5.938
89 HA SER 13 HA SER 13 -1.631 -2.300 7.471
90 1HB SER 13 2HB SER 13 -1.098 0.037 6.887
91 2HB SER 13 1HB SER 13 0.188 -0.659 7.870
92 HG SER 13 HG SER 13 0.344 0.390 5.436
93 H ASN 14 H ASN 14 -2.797 -0.661 5.732
94 HA ASN 14 HA ASN 14 -3.559 -2.358 3.535
95 1HB ASN 14 2HB ASN 14 -4.208 0.416 4.429
96 2HB ASN 14 1HB ASN 14 -4.575 -0.012 2.756
97 1HD2 ASN 14 1HD2 ASN 14 -6.818 -0.399 2.793
98 2HD2 ASN 14 2HD2 ASN 14 -7.581 -1.479 3.857
99 H ARG 15 H ARG 15 -1.349 0.393 3.821
100 HA ARG 15 HA ARG 15 -0.909 0.731 0.999
101 1HB ARG 15 2HB ARG 15 -0.326 2.357 2.907
102 2HB ARG 15 1HB ARG 15 1.120 1.371 3.138
103 1HG ARG 15 2HG ARG 15 1.231 1.713 0.456
104 2HG ARG 15 1HG ARG 15 0.419 3.211 0.912
105 1HD ARG 15 2HD ARG 15 2.264 3.443 2.706
106 2HD ARG 15 1HD ARG 15 3.127 2.207 1.790
107 HE ARG 15 HE ARG 15 2.448 4.067 -0.134
108 1HH1 ARG 15 1HH2 ARG 15 4.081 4.241 2.954
109 2HH1 ARG 15 2HH2 ARG 15 5.056 5.585 2.475
110 1HH2 ARG 15 1HH1 ARG 15 3.728 5.808 -0.710
111 2HH2 ARG 15 2HH1 ARG 15 4.860 6.466 0.424
112 H ASP 16 H ASP 16 0.045 -1.792 3.081
113 HA ASP 16 HA ASP 16 2.499 -2.418 1.571
114 1HB ASP 16 2HB ASP 16 1.160 -3.446 4.024
115 2HB ASP 16 1HB ASP 16 2.212 -4.553 3.142
116 H CYS 17 H CYS 17 -0.490 -2.585 0.529
117 HA CYS 17 HA CYS 17 -0.273 -5.410 -0.438
118 1HB CYS 17 2HB CYS 17 -2.706 -3.660 -0.011
119 2HB CYS 17 1HB CYS 17 -2.749 -5.217 -0.835
120 H CYS 18 H CYS 18 -1.919 -5.393 -2.604
121 HA CYS 18 HA CYS 18 -0.596 -3.406 -4.412
122 1HB CYS 18 2HB CYS 18 -1.748 -6.110 -5.161
123 2HB CYS 18 1HB CYS 18 -0.786 -5.047 -6.187
124 H GLU 19 H GLU 19 -2.024 -3.216 -6.547
125 HA GLU 19 HA GLU 19 -4.427 -1.852 -5.832
126 1HB GLU 19 2HB GLU 19 -3.096 -1.466 -7.927
127 2HB GLU 19 1HB GLU 19 -3.722 -2.992 -8.548
128 1HG GLU 19 2HG GLU 19 -5.802 -2.142 -8.933
129 2HG GLU 19 1HG GLU 19 -5.759 -1.123 -7.497
130 H LEU 20 H LEU 20 -3.943 -5.069 -7.325
131 HA LEU 20 HA LEU 20 -6.660 -5.805 -7.598
132 1HB LEU 20 2HB LEU 20 -4.306 -7.578 -6.880
133 2HB LEU 20 1HB LEU 20 -5.854 -8.139 -7.514
134 HG LEU 20 HG LEU 20 -4.393 -6.020 -9.036
135 1HD1 LEU 20 1HD1 LEU 20 -3.754 -8.960 -9.343
136 2HD1 LEU 20 2HD1 LEU 20 -2.745 -7.863 -8.401
137 3HD1 LEU 20 3HD1 LEU 20 -2.964 -7.595 -10.130
138 1HD2 LEU 20 1HD2 LEU 20 -6.666 -6.840 -9.672
139 2HD2 LEU 20 2HD2 LEU 20 -5.996 -8.459 -9.869
140 3HD2 LEU 20 3HD2 LEU 20 -5.462 -7.150 -10.924
141 H THR 21 H THR 21 -4.665 -5.585 -4.749
142 HA THR 21 HA THR 21 -6.994 -6.453 -3.087
143 HB THR 21 HB THR 21 -5.416 -7.492 -1.510
144 HG1 THR 21 1HG THR 21 -3.477 -6.739 -3.442
145 1HG2 THR 21 1HG2 THR 21 -6.325 -8.785 -3.492
146 2HG2 THR 21 2HG2 THR 21 -4.830 -9.424 -2.811
147 3HG2 THR 21 3HG2 THR 21 -4.788 -8.481 -4.301
148 HA PRO 22 HA PRO 22 -5.585 -2.265 -1.824
149 1HB PRO 22 2HB PRO 22 -8.083 -1.195 -1.588
150 2HB PRO 22 1HB PRO 22 -7.190 -1.265 -3.114
151 1HG PRO 22 2HG PRO 22 -9.516 -2.847 -2.227
152 2HG PRO 22 1HG PRO 22 -8.970 -2.463 -3.865
153 1HD PRO 22 2HD PRO 22 -8.598 -4.917 -2.480
154 2HD PRO 22 1HD PRO 22 -7.887 -4.454 -4.038
155 H VAL 23 H VAL 23 -6.796 -4.832 -0.170
156 HA VAL 23 HA VAL 23 -7.112 -3.177 2.305
157 HB VAL 23 HB VAL 23 -9.270 -4.136 1.599
158 1HG1 VAL 23 1HG1 VAL 23 -9.073 -6.123 0.528
159 2HG1 VAL 23 2HG1 VAL 23 -9.260 -6.773 2.155
160 3HG1 VAL 23 3HG1 VAL 23 -7.654 -6.605 1.452
161 1HG2 VAL 23 1HG2 VAL 23 -7.999 -5.218 4.118
162 2HG2 VAL 23 2HG2 VAL 23 -9.719 -5.396 3.771
163 3HG2 VAL 23 3HG2 VAL 23 -9.018 -3.788 3.950
164 H CYS 24 H CYS 24 -6.118 -3.916 4.159
165 HA CYS 24 HA CYS 24 -4.372 -6.332 3.875
166 1HB CYS 24 2HB CYS 24 -3.024 -4.272 3.806
167 2HB CYS 24 1HB CYS 24 -3.771 -3.710 5.296
168 H LYS 25 H LYS 25 -5.759 -7.715 4.990
169 HA LYS 25 HA LYS 25 -6.274 -7.000 7.854
170 1HB LYS 25 2HB LYS 25 -8.269 -7.158 6.068
171 2HB LYS 25 1HB LYS 25 -8.132 -8.872 6.466
172 1HG LYS 25 2HG LYS 25 -9.649 -8.114 8.080
173 2HG LYS 25 1HG LYS 25 -8.113 -8.029 8.945
174 1HD LYS 25 2HD LYS 25 -9.302 -5.947 9.308
175 2HD LYS 25 1HD LYS 25 -7.930 -5.621 8.248
176 1HE LYS 25 2HE LYS 25 -9.265 -5.261 6.400
177 2HE LYS 25 1HE LYS 25 -10.524 -6.359 6.965
178 1HZ LYS 25 1HZ LYS 25 -9.963 -3.842 8.397
179 2HZ LYS 25 2HZ LYS 25 -11.382 -4.776 8.395
180 3HZ LYS 25 3HZ LYS 25 -10.968 -3.851 7.031
181 H ARG 26 H ARG 26 -6.130 -8.747 9.339
182 HA ARG 26 HA ARG 26 -5.233 -10.732 10.189
183 1HB ARG 26 2HB ARG 26 -6.108 -11.658 7.442
184 2HB ARG 26 1HB ARG 26 -5.410 -12.747 8.638
185 1HG ARG 26 2HG ARG 26 -7.230 -11.664 10.223
186 2HG ARG 26 1HG ARG 26 -8.034 -11.304 8.695
187 1HD ARG 26 2HD ARG 26 -8.887 -13.407 8.958
188 2HD ARG 26 1HD ARG 26 -7.338 -13.897 8.271
189 HE ARG 26 HE ARG 26 -6.994 -13.638 11.077
190 1HH1 ARG 26 1HH2 ARG 26 -8.726 -15.630 8.782
191 2HH1 ARG 26 2HH2 ARG 26 -8.726 -17.008 9.825
192 1HH2 ARG 26 1HH1 ARG 26 -7.016 -15.447 12.395
193 2HH2 ARG 26 2HH1 ARG 26 -7.769 -16.908 11.849
194 H GLY 27 H GLY 27 -3.493 -8.780 8.872
195 1HA GLY 27 2HA GLY 27 -1.236 -8.592 8.270
196 2HA GLY 27 1HA GLY 27 -1.043 -10.234 8.882
197 H SER 28 H SER 28 -3.309 -9.513 6.304
198 HA SER 28 HA SER 28 -1.399 -10.509 4.270
199 1HB SER 28 2HB SER 28 -3.969 -11.850 5.084
200 2HB SER 28 1HB SER 28 -3.347 -12.023 3.445
201 HG SER 28 HG SER 28 -1.861 -12.542 5.809
202 H CYS 29 H CYS 29 -2.495 -10.367 2.020
203 HA CYS 29 HA CYS 29 -4.111 -7.850 1.967
204 1HB CYS 29 2HB CYS 29 -2.310 -9.090 -0.140
205 2HB CYS 29 1HB CYS 29 -3.262 -7.626 -0.374
206 H VAL 30 H VAL 30 -6.049 -7.806 0.832
207 HA VAL 30 HA VAL 30 -6.740 -10.057 -0.916
208 HB VAL 30 HB VAL 30 -8.821 -10.598 0.267
209 1HG1 VAL 30 1HG1 VAL 30 -7.855 -11.832 2.082
210 2HG1 VAL 30 2HG1 VAL 30 -6.527 -10.681 2.240
211 3HG1 VAL 30 3HG1 VAL 30 -6.618 -11.735 0.829
212 1HG2 VAL 30 1HG2 VAL 30 -8.993 -9.690 2.674
213 2HG2 VAL 30 2HG2 VAL 30 -9.420 -8.586 1.367
214 3HG2 VAL 30 3HG2 VAL 30 -7.848 -8.452 2.156
215 H SER 31 H SER 31 -9.168 -9.592 -1.641
216 HA SER 31 HA SER 31 -9.130 -6.811 -2.613
217 1HB SER 31 2HB SER 31 -11.208 -8.850 -3.363
218 2HB SER 31 1HB SER 31 -10.578 -7.513 -4.320
219 HG SER 31 HG SER 31 -8.588 -8.639 -4.418
220 H SER 32 H SER 32 -10.378 -5.265 -1.740
221 HA SER 32 HA SER 32 -12.009 -5.690 0.560
222 1HB SER 32 2HB SER 32 -12.926 -3.352 -0.102
223 2HB SER 32 1HB SER 32 -11.213 -3.491 0.282
224 HG SER 32 HG SER 32 -12.439 -2.843 -2.060
225 H GLY 33 H GLY 33 -12.991 -5.001 -2.819
226 1HA GLY 33 2HA GLY 33 -14.806 -6.330 -3.838
227 2HA GLY 33 1HA GLY 33 -15.549 -6.436 -2.241
228 HA PRO 34 HA PRO 34 -17.790 -2.713 -3.187
229 1HB PRO 34 2HB PRO 34 -18.314 -1.818 -0.662
230 2HB PRO 34 1HB PRO 34 -19.084 -3.249 -1.364
231 1HG PRO 34 2HG PRO 34 -17.055 -3.073 0.753
232 2HG PRO 34 1HG PRO 34 -18.172 -4.389 0.370
233 1HD PRO 34 2HD PRO 34 -15.381 -4.209 -0.292
234 2HD PRO 34 1HD PRO 34 -16.517 -5.510 -0.710
235 H GLY 35 H GLY 35 -15.439 -1.904 -3.914
236 1HA GLY 35 2HA GLY 35 -14.609 0.387 -2.184
237 2HA GLY 35 1HA GLY 35 -13.575 -0.380 -3.391
238 H LEU 36 H LEU 36 -15.671 -0.530 -5.421
239 HA LEU 36 HA LEU 36 -16.119 2.365 -6.000
240 1HB LEU 36 2HB LEU 36 -14.379 0.529 -7.399
241 2HB LEU 36 1HB LEU 36 -15.683 1.027 -8.474
242 HG LEU 36 HG LEU 36 -14.047 2.987 -6.844
243 1HD1 LEU 36 1HD1 LEU 36 -12.535 1.860 -8.380
244 2HD1 LEU 36 2HD1 LEU 36 -12.895 3.463 -9.022
245 3HD1 LEU 36 3HD1 LEU 36 -13.686 2.043 -9.704
246 1HD2 LEU 36 1HD2 LEU 36 -16.005 4.085 -7.488
247 2HD2 LEU 36 2HD2 LEU 36 -16.161 3.147 -8.974
248 3HD2 LEU 36 3HD2 LEU 36 -14.953 4.427 -8.863
249 H VAL 37 H VAL 37 -18.094 2.807 -6.981
250 HA VAL 37 HA VAL 37 -20.201 0.884 -6.744
251 HB VAL 37 HB VAL 37 -21.541 2.560 -8.045
252 1HG1 VAL 37 1HG1 VAL 37 -19.799 3.834 -5.918
253 2HG1 VAL 37 2HG1 VAL 37 -21.122 2.722 -5.561
254 3HG1 VAL 37 3HG1 VAL 37 -21.455 4.270 -6.339
255 1HG2 VAL 37 1HG2 VAL 37 -20.533 4.542 -8.892
256 2HG2 VAL 37 2HG2 VAL 37 -19.475 3.237 -9.429
257 3HG2 VAL 37 3HG2 VAL 37 -19.019 4.227 -8.043
258 H GLY 38 H GLY 38 -21.685 0.771 -8.967
259 1HA GLY 38 2HA GLY 38 -20.526 0.457 -11.492
260 2HA GLY 38 1HA GLY 38 -20.249 -1.076 -10.665
261 H GLY 39 H GLY 39 -22.179 0.007 -12.899
262 1HA GLY 39 2HA GLY 39 -24.693 -1.108 -11.723
263 2HA GLY 39 1HA GLY 39 -24.651 0.025 -13.074
264 H ILE 40 H ILE 40 -25.234 -1.010 -14.911
265 HA ILE 40 HA ILE 40 -24.591 -3.885 -15.240
266 HB ILE 40 HB ILE 40 -26.208 -2.056 -17.042
267 1HG1 ILE 40 2HG1 ILE 40 -27.252 -4.052 -15.018
268 2HG1 ILE 40 1HG1 ILE 40 -27.059 -2.338 -14.647
269 1HG2 ILE 40 1HG2 ILE 40 -27.177 -4.508 -17.487
270 2HG2 ILE 40 2HG2 ILE 40 -25.548 -4.969 -16.992
271 3HG2 ILE 40 3HG2 ILE 40 -25.779 -3.894 -18.370
272 1HD1 ILE 40 1HD1 ILE 40 -28.393 -2.154 -16.998
273 2HD1 ILE 40 2HD1 ILE 40 -29.205 -2.218 -15.433
274 3HD1 ILE 40 3HD1 ILE 40 -29.039 -3.683 -16.402
275 H LEU 41 H LEU 41 -22.321 -2.281 -15.308
276 HA LEU 41 HA LEU 41 -21.676 -2.004 -18.208
277 1HB LEU 41 2HB LEU 41 -20.179 -0.965 -15.782
278 2HB LEU 41 1HB LEU 41 -19.779 -0.632 -17.467
279 HG LEU 41 HG LEU 41 -22.535 -0.013 -16.438
280 1HD1 LEU 41 1HD1 LEU 41 -21.468 1.286 -14.863
281 2HD1 LEU 41 2HD1 LEU 41 -21.382 2.395 -16.231
282 3HD1 LEU 41 3HD1 LEU 41 -19.985 1.403 -15.810
283 1HD2 LEU 41 1HD2 LEU 41 -22.641 1.396 -18.307
284 2HD2 LEU 41 2HD2 LEU 41 -21.655 0.064 -18.911
285 3HD2 LEU 41 3HD2 LEU 41 -20.889 1.568 -18.398
286 H GLY 42 H GLY 42 -21.820 -4.601 -16.931
287 1HA GLY 42 2HA GLY 42 -20.440 -6.518 -17.450
288 2HA GLY 42 1HA GLY 42 -19.020 -5.471 -17.413
289 H GLY 43 H GLY 43 -18.422 -4.588 -15.237
290 1HA GLY 43 2HA GLY 43 -18.473 -4.735 -12.817
291 2HA GLY 43 1HA GLY 43 -19.381 -6.241 -12.958
292 H ILE 44 H ILE 44 -16.377 -5.011 -12.252
293 HA ILE 44 HA ILE 44 -14.824 -7.253 -13.377
294 HB ILE 44 HB ILE 44 -13.825 -5.002 -13.343
295 1HG1 ILE 44 2HG1 ILE 44 -12.285 -6.499 -11.248
296 2HG1 ILE 44 1HG1 ILE 44 -12.520 -7.251 -12.825
297 1HG2 ILE 44 1HG2 ILE 44 -13.095 -4.441 -10.774
298 2HG2 ILE 44 2HG2 ILE 44 -14.693 -5.139 -10.518
299 3HG2 ILE 44 3HG2 ILE 44 -14.501 -3.741 -11.574
300 1HD1 ILE 44 1HD1 ILE 44 -11.270 -5.644 -13.932
301 2HD1 ILE 44 2HD1 ILE 44 -10.442 -5.657 -12.376
302 3HD1 ILE 44 3HD1 ILE 44 -11.621 -4.398 -12.736
303 H LEU 45 H LEU 45 -16.622 -8.454 -11.867
304 HA LEU 45 HA LEU 45 -15.094 -9.706 -9.757
305 1HB LEU 45 2HB LEU 45 -15.909 -7.496 -8.723
306 2HB LEU 45 1HB LEU 45 -17.528 -8.192 -8.802
307 HG LEU 45 HG LEU 45 -16.538 -10.223 -7.580
308 1HD1 LEU 45 1HD1 LEU 45 -14.251 -8.318 -7.601
309 2HD1 LEU 45 2HD1 LEU 45 -14.246 -10.082 -7.576
310 3HD1 LEU 45 3HD1 LEU 45 -14.544 -9.180 -6.090
311 1HD2 LEU 45 1HD2 LEU 45 -17.290 -9.324 -5.606
312 2HD2 LEU 45 2HD2 LEU 45 -17.810 -8.015 -6.668
313 3HD2 LEU 45 3HD2 LEU 45 -16.299 -7.874 -5.769
Start of MODEL 10
1 1H LEU 1 1HT LEU 1 5.346 3.731 -13.491
2 2H LEU 1 2HT LEU 1 4.309 5.055 -13.249
3 3H LEU 1 3HT LEU 1 3.667 3.519 -13.588
4 HA LEU 1 HA LEU 1 5.323 4.007 -11.191
5 1HB LEU 1 2HB LEU 1 2.972 5.352 -11.645
6 2HB LEU 1 1HB LEU 1 2.390 3.891 -10.848
7 HG LEU 1 HG LEU 1 4.443 4.415 -9.218
8 1HD1 LEU 1 1HD1 LEU 1 4.981 6.691 -9.012
9 2HD1 LEU 1 2HD1 LEU 1 3.550 7.207 -9.905
10 3HD1 LEU 1 3HD1 LEU 1 4.906 6.473 -10.761
11 1HD2 LEU 1 1HD2 LEU 1 1.669 5.616 -9.242
12 2HD2 LEU 1 2HD2 LEU 1 2.761 5.839 -7.875
13 3HD2 LEU 1 3HD2 LEU 1 2.245 4.217 -8.335
14 H LEU 2 H LEU 2 3.602 2.492 -9.548
15 HA LEU 2 HA LEU 2 3.252 -0.112 -10.926
16 1HB LEU 2 2HB LEU 2 5.345 0.531 -8.929
17 2HB LEU 2 1HB LEU 2 4.448 -0.957 -8.623
18 HG LEU 2 HG LEU 2 5.519 -0.372 -11.374
19 1HD1 LEU 2 1HD1 LEU 2 7.498 -0.161 -10.064
20 2HD1 LEU 2 2HD1 LEU 2 7.499 -1.829 -10.640
21 3HD1 LEU 2 3HD1 LEU 2 7.012 -1.467 -8.984
22 1HD2 LEU 2 1HD2 LEU 2 4.598 -2.760 -9.792
23 2HD2 LEU 2 2HD2 LEU 2 5.688 -2.982 -11.160
24 3HD2 LEU 2 3HD2 LEU 2 4.106 -2.243 -11.404
25 H ALA 3 H ALA 3 1.465 -1.153 -10.165
26 HA ALA 3 HA ALA 3 0.135 -0.006 -7.753
27 1HB ALA 3 1HB ALA 3 -0.989 -0.213 -10.120
28 2HB ALA 3 2HB ALA 3 -1.920 -0.633 -8.682
29 3HB ALA 3 3HB ALA 3 -1.198 -1.905 -9.667
30 H CYS 4 H CYS 4 2.262 -1.686 -7.210
31 HA CYS 4 HA CYS 4 1.086 -3.674 -5.542
32 1HB CYS 4 2HB CYS 4 0.708 -4.810 -7.733
33 2HB CYS 4 1HB CYS 4 2.442 -4.755 -8.033
34 H LEU 5 H LEU 5 2.519 -2.864 -4.023
35 HA LEU 5 HA LEU 5 5.363 -2.562 -4.558
36 1HB LEU 5 2HB LEU 5 4.010 -2.682 -1.849
37 2HB LEU 5 1HB LEU 5 5.556 -1.931 -2.241
38 HG LEU 5 HG LEU 5 2.879 -1.052 -3.356
39 1HD1 LEU 5 1HD1 LEU 5 3.419 -0.687 -0.831
40 2HD1 LEU 5 2HD1 LEU 5 2.868 0.693 -1.781
41 3HD1 LEU 5 3HD1 LEU 5 4.583 0.500 -1.419
42 1HD2 LEU 5 1HD2 LEU 5 5.716 -0.036 -3.625
43 2HD2 LEU 5 2HD2 LEU 5 4.322 0.993 -3.952
44 3HD2 LEU 5 3HD2 LEU 5 4.587 -0.463 -4.911
45 H PHE 6 H PHE 6 3.306 -5.090 -3.268
46 HA PHE 6 HA PHE 6 5.700 -6.857 -3.136
47 1HB PHE 6 2HB PHE 6 3.611 -6.530 -0.968
48 2HB PHE 6 1HB PHE 6 4.738 -7.885 -1.036
49 HD1 PHE 6 1HD PHE 6 7.280 -7.233 -1.321
50 HD2 PHE 6 2HD PHE 6 4.241 -4.591 0.174
51 HE1 PHE 6 1HE PHE 6 9.023 -5.842 -0.236
52 HE2 PHE 6 2HE PHE 6 5.983 -3.200 1.259
53 HZ PHE 6 HZ PHE 6 8.374 -3.825 1.054
54 H GLY 7 H GLY 7 2.332 -7.460 -2.179
55 1HA GLY 7 2HA GLY 7 0.666 -8.743 -3.270
56 2HA GLY 7 1HA GLY 7 1.735 -8.886 -4.665
57 H ASN 8 H ASN 8 2.861 -9.688 -1.444
58 HA ASN 8 HA ASN 8 3.242 -12.487 -2.339
59 1HB ASN 8 2HB ASN 8 4.434 -10.747 -0.218
60 2HB ASN 8 1HB ASN 8 4.460 -12.496 0.019
61 1HD2 ASN 8 1HD2 ASN 8 5.386 -9.970 -2.368
62 2HD2 ASN 8 2HD2 ASN 8 6.660 -10.864 -3.046
63 H GLY 9 H GLY 9 0.708 -10.976 -1.005
64 1HA GLY 9 2HA GLY 9 -1.181 -11.969 -0.004
65 2HA GLY 9 1HA GLY 9 -0.216 -13.399 0.329
66 H ARG 10 H ARG 10 1.752 -11.101 1.492
67 HA ARG 10 HA ARG 10 0.380 -10.994 4.144
68 1HB ARG 10 2HB ARG 10 2.667 -11.135 5.157
69 2HB ARG 10 1HB ARG 10 2.206 -12.592 4.275
70 1HG ARG 10 2HG ARG 10 3.429 -11.738 2.290
71 2HG ARG 10 1HG ARG 10 3.957 -10.352 3.234
72 1HD ARG 10 2HD ARG 10 5.195 -11.754 4.750
73 2HD ARG 10 1HD ARG 10 4.493 -13.216 4.057
74 HE ARG 10 HE ARG 10 5.800 -11.883 1.947
75 1HH1 ARG 10 1HH2 ARG 10 6.636 -13.350 5.011
76 2HH1 ARG 10 2HH2 ARG 10 8.229 -13.770 4.489
77 1HH2 ARG 10 1HH1 ARG 10 7.872 -12.445 1.314
78 2HH2 ARG 10 2HH1 ARG 10 8.925 -13.264 2.420
79 H CYS 11 H CYS 11 0.421 -9.025 5.166
80 HA CYS 11 HA CYS 11 2.199 -6.879 4.170
81 1HB CYS 11 2HB CYS 11 0.247 -5.317 3.926
82 2HB CYS 11 1HB CYS 11 0.294 -6.590 2.717
83 H SER 12 H SER 12 1.952 -4.877 5.497
84 HA SER 12 HA SER 12 1.286 -5.582 8.320
85 1HB SER 12 2HB SER 12 2.794 -3.619 8.868
86 2HB SER 12 1HB SER 12 3.612 -4.982 8.110
87 HG SER 12 HG SER 12 4.154 -3.648 6.593
88 H SER 13 H SER 13 0.610 -3.445 5.687
89 HA SER 13 HA SER 13 -1.655 -2.284 7.167
90 1HB SER 13 2HB SER 13 -0.994 0.030 6.401
91 2HB SER 13 1HB SER 13 0.070 -0.643 7.631
92 HG SER 13 HG SER 13 1.078 0.333 5.698
93 H ASN 14 H ASN 14 -2.775 -0.675 5.410
94 HA ASN 14 HA ASN 14 -3.542 -2.358 3.215
95 1HB ASN 14 2HB ASN 14 -4.099 0.455 4.051
96 2HB ASN 14 1HB ASN 14 -4.459 0.009 2.384
97 1HD2 ASN 14 1HD2 ASN 14 -6.705 -0.326 2.370
98 2HD2 ASN 14 2HD2 ASN 14 -7.529 -1.339 3.453
99 H ARG 15 H ARG 15 -1.237 0.316 3.494
100 HA ARG 15 HA ARG 15 -0.749 0.585 0.671
101 1HB ARG 15 2HB ARG 15 0.740 1.413 3.150
102 2HB ARG 15 1HB ARG 15 1.472 1.621 1.558
103 1HG ARG 15 2HG ARG 15 -0.586 2.862 0.839
104 2HG ARG 15 1HG ARG 15 -1.171 2.768 2.500
105 1HD ARG 15 2HD ARG 15 0.382 4.278 3.280
106 2HD ARG 15 1HD ARG 15 1.590 3.816 2.082
107 HE ARG 15 HE ARG 15 -0.394 5.017 0.575
108 1HH1 ARG 15 1HH2 ARG 15 1.473 5.969 3.374
109 2HH1 ARG 15 2HH2 ARG 15 1.407 7.649 2.972
110 1HH2 ARG 15 1HH1 ARG 15 -0.455 7.201 0.092
111 2HH2 ARG 15 2HH1 ARG 15 0.327 8.342 1.135
112 H ASP 16 H ASP 16 0.100 -1.919 2.819
113 HA ASP 16 HA ASP 16 2.552 -2.647 1.351
114 1HB ASP 16 2HB ASP 16 1.168 -3.575 3.815
115 2HB ASP 16 1HB ASP 16 2.185 -4.739 2.967
116 H CYS 17 H CYS 17 -0.440 -2.755 0.301
117 HA CYS 17 HA CYS 17 -0.283 -5.591 -0.640
118 1HB CYS 17 2HB CYS 17 -2.690 -3.796 -0.239
119 2HB CYS 17 1HB CYS 17 -2.751 -5.376 -1.021
120 H CYS 18 H CYS 18 -1.946 -5.529 -2.806
121 HA CYS 18 HA CYS 18 -0.651 -3.501 -4.588
122 1HB CYS 18 2HB CYS 18 -1.610 -6.269 -5.368
123 2HB CYS 18 1HB CYS 18 -0.709 -5.141 -6.378
124 H GLU 19 H GLU 19 -2.089 -3.562 -6.805
125 HA GLU 19 HA GLU 19 -4.523 -2.220 -6.162
126 1HB GLU 19 2HB GLU 19 -3.023 -2.340 -8.384
127 2HB GLU 19 1HB GLU 19 -4.258 -3.515 -8.833
128 1HG GLU 19 2HG GLU 19 -5.048 -0.847 -7.685
129 2HG GLU 19 1HG GLU 19 -4.672 -1.005 -9.402
130 H LEU 20 H LEU 20 -3.967 -5.522 -7.427
131 HA LEU 20 HA LEU 20 -6.662 -6.350 -7.613
132 1HB LEU 20 2HB LEU 20 -4.491 -7.597 -8.288
133 2HB LEU 20 1HB LEU 20 -4.487 -8.192 -6.628
134 HG LEU 20 HG LEU 20 -6.987 -8.806 -7.126
135 1HD1 LEU 20 1HD1 LEU 20 -5.815 -8.229 -9.822
136 2HD1 LEU 20 2HD1 LEU 20 -7.449 -7.936 -9.228
137 3HD1 LEU 20 3HD1 LEU 20 -6.950 -9.569 -9.667
138 1HD2 LEU 20 1HD2 LEU 20 -5.165 -10.427 -6.694
139 2HD2 LEU 20 2HD2 LEU 20 -4.686 -10.334 -8.388
140 3HD2 LEU 20 3HD2 LEU 20 -6.255 -11.012 -7.952
141 H THR 21 H THR 21 -4.693 -5.820 -4.791
142 HA THR 21 HA THR 21 -6.990 -6.674 -3.074
143 HB THR 21 HB THR 21 -5.343 -7.537 -1.425
144 HG1 THR 21 1HG THR 21 -3.509 -6.950 -3.509
145 1HG2 THR 21 1HG2 THR 21 -5.082 -9.603 -2.452
146 2HG2 THR 21 2HG2 THR 21 -4.628 -8.891 -4.000
147 3HG2 THR 21 3HG2 THR 21 -6.315 -8.881 -3.486
148 HA PRO 22 HA PRO 22 -5.722 -2.367 -2.077
149 1HB PRO 22 2HB PRO 22 -8.261 -1.404 -1.815
150 2HB PRO 22 1HB PRO 22 -7.407 -1.506 -3.364
151 1HG PRO 22 2HG PRO 22 -9.596 -3.195 -2.302
152 2HG PRO 22 1HG PRO 22 -9.189 -2.794 -3.977
153 1HD PRO 22 2HD PRO 22 -8.595 -5.218 -2.677
154 2HD PRO 22 1HD PRO 22 -7.896 -4.656 -4.207
155 H VAL 23 H VAL 23 -6.894 -4.897 -0.280
156 HA VAL 23 HA VAL 23 -7.094 -3.145 2.139
157 HB VAL 23 HB VAL 23 -9.294 -4.073 1.555
158 1HG1 VAL 23 1HG1 VAL 23 -7.734 -6.597 1.441
159 2HG1 VAL 23 2HG1 VAL 23 -9.105 -6.068 0.473
160 3HG1 VAL 23 3HG1 VAL 23 -9.366 -6.684 2.101
161 1HG2 VAL 23 1HG2 VAL 23 -8.850 -3.709 3.911
162 2HG2 VAL 23 2HG2 VAL 23 -7.998 -5.249 4.028
163 3HG2 VAL 23 3HG2 VAL 23 -9.738 -5.224 3.746
164 H CYS 24 H CYS 24 -6.094 -3.872 4.010
165 HA CYS 24 HA CYS 24 -4.398 -6.327 3.756
166 1HB CYS 24 2HB CYS 24 -3.002 -4.309 3.576
167 2HB CYS 24 1HB CYS 24 -3.699 -3.669 5.059
168 H LYS 25 H LYS 25 -5.777 -7.641 4.958
169 HA LYS 25 HA LYS 25 -6.184 -6.823 7.811
170 1HB LYS 25 2HB LYS 25 -8.256 -6.899 6.163
171 2HB LYS 25 1HB LYS 25 -8.144 -8.636 6.449
172 1HG LYS 25 2HG LYS 25 -9.421 -8.192 8.280
173 2HG LYS 25 1HG LYS 25 -7.900 -7.667 9.000
174 1HD LYS 25 2HD LYS 25 -9.301 -5.647 7.337
175 2HD LYS 25 1HD LYS 25 -10.100 -6.083 8.847
176 1HE LYS 25 2HE LYS 25 -7.185 -5.637 9.068
177 2HE LYS 25 1HE LYS 25 -8.128 -4.206 8.659
178 1HZ LYS 25 1HZ LYS 25 -7.828 -4.728 11.104
179 2HZ LYS 25 2HZ LYS 25 -8.913 -6.013 10.863
180 3HZ LYS 25 3HZ LYS 25 -9.411 -4.414 10.581
181 H ARG 26 H ARG 26 -6.062 -8.534 9.343
182 HA ARG 26 HA ARG 26 -5.219 -10.535 10.220
183 1HB ARG 26 2HB ARG 26 -6.441 -11.348 7.615
184 2HB ARG 26 1HB ARG 26 -5.397 -12.513 8.432
185 1HG ARG 26 2HG ARG 26 -7.568 -12.952 9.286
186 2HG ARG 26 1HG ARG 26 -6.776 -12.006 10.546
187 1HD ARG 26 2HD ARG 26 -8.148 -10.368 8.517
188 2HD ARG 26 1HD ARG 26 -9.227 -11.408 9.447
189 HE ARG 26 HE ARG 26 -7.760 -9.103 10.468
190 1HH1 ARG 26 1HH2 ARG 26 -9.234 -12.169 11.287
191 2HH1 ARG 26 2HH2 ARG 26 -9.467 -11.728 12.943
192 1HH2 ARG 26 1HH1 ARG 26 -8.080 -8.577 12.617
193 2HH2 ARG 26 2HH1 ARG 26 -8.821 -9.717 13.690
194 H GLY 27 H GLY 27 -3.441 -8.669 8.798
195 1HA GLY 27 2HA GLY 27 -1.191 -8.584 8.138
196 2HA GLY 27 1HA GLY 27 -1.043 -10.216 8.794
197 H SER 28 H SER 28 -3.334 -9.444 6.251
198 HA SER 28 HA SER 28 -1.540 -10.592 4.191
199 1HB SER 28 2HB SER 28 -4.065 -11.834 5.214
200 2HB SER 28 1HB SER 28 -3.684 -11.983 3.501
201 HG SER 28 HG SER 28 -2.468 -13.568 4.169
202 H CYS 29 H CYS 29 -2.664 -10.439 1.978
203 HA CYS 29 HA CYS 29 -4.209 -7.880 1.900
204 1HB CYS 29 2HB CYS 29 -2.504 -9.225 -0.222
205 2HB CYS 29 1HB CYS 29 -3.409 -7.731 -0.459
206 H VAL 30 H VAL 30 -6.193 -7.825 0.855
207 HA VAL 30 HA VAL 30 -6.996 -10.087 -0.837
208 HB VAL 30 HB VAL 30 -9.020 -10.596 0.436
209 1HG1 VAL 30 1HG1 VAL 30 -6.642 -10.622 2.311
210 2HG1 VAL 30 2HG1 VAL 30 -6.834 -11.746 0.965
211 3HG1 VAL 30 3HG1 VAL 30 -7.998 -11.749 2.291
212 1HG2 VAL 30 1HG2 VAL 30 -7.996 -8.395 2.236
213 2HG2 VAL 30 2HG2 VAL 30 -9.125 -9.617 2.820
214 3HG2 VAL 30 3HG2 VAL 30 -9.589 -8.550 1.494
215 H SER 31 H SER 31 -9.598 -9.554 -1.204
216 HA SER 31 HA SER 31 -9.525 -6.965 -2.564
217 1HB SER 31 2HB SER 31 -11.599 -9.162 -2.425
218 2HB SER 31 1HB SER 31 -11.844 -7.665 -3.319
219 HG SER 31 HG SER 31 -10.517 -8.352 -4.806
220 H SER 32 H SER 32 -10.257 -5.124 -1.685
221 HA SER 32 HA SER 32 -11.201 -4.834 0.947
222 1HB SER 32 2HB SER 32 -11.921 -2.577 0.277
223 2HB SER 32 1HB SER 32 -10.350 -2.963 -0.421
224 HG SER 32 HG SER 32 -12.284 -2.092 -1.762
225 H GLY 33 H GLY 33 -13.166 -4.905 -2.050
226 1HA GLY 33 2HA GLY 33 -15.426 -5.459 -2.362
227 2HA GLY 33 1HA GLY 33 -15.306 -6.369 -0.856
228 HA PRO 34 HA PRO 34 -18.057 -2.856 0.237
229 1HB PRO 34 2HB PRO 34 -19.785 -4.344 1.737
230 2HB PRO 34 1HB PRO 34 -19.906 -4.196 -0.022
231 1HG PRO 34 2HG PRO 34 -19.047 -6.492 1.610
232 2HG PRO 34 1HG PRO 34 -19.687 -6.456 -0.039
233 1HD PRO 34 2HD PRO 34 -16.956 -6.741 0.748
234 2HD PRO 34 1HD PRO 34 -17.589 -6.572 -0.904
235 H GLY 35 H GLY 35 -19.152 -2.761 2.774
236 1HA GLY 35 2HA GLY 35 -16.716 -2.672 4.474
237 2HA GLY 35 1HA GLY 35 -18.223 -1.812 4.795
238 H LEU 36 H LEU 36 -19.578 -2.708 6.270
239 HA LEU 36 HA LEU 36 -18.887 -5.325 7.422
240 1HB LEU 36 2HB LEU 36 -20.690 -3.054 8.157
241 2HB LEU 36 1HB LEU 36 -21.055 -4.650 8.815
242 HG LEU 36 HG LEU 36 -18.486 -4.684 9.387
243 1HD1 LEU 36 1HD1 LEU 36 -18.961 -1.716 9.582
244 2HD1 LEU 36 2HD1 LEU 36 -18.291 -2.418 8.109
245 3HD1 LEU 36 3HD1 LEU 36 -17.435 -2.597 9.641
246 1HD2 LEU 36 1HD2 LEU 36 -19.004 -3.851 11.588
247 2HD2 LEU 36 2HD2 LEU 36 -20.467 -4.620 10.974
248 3HD2 LEU 36 3HD2 LEU 36 -20.325 -2.862 10.964
249 H VAL 37 H VAL 37 -20.498 -7.035 7.652
250 HA VAL 37 HA VAL 37 -22.172 -8.465 6.870
251 HB VAL 37 HB VAL 37 -23.385 -6.041 5.515
252 1HG1 VAL 37 1HG1 VAL 37 -25.324 -7.298 5.354
253 2HG1 VAL 37 2HG1 VAL 37 -24.904 -8.311 6.736
254 3HG1 VAL 37 3HG1 VAL 37 -24.117 -8.572 5.179
255 1HG2 VAL 37 1HG2 VAL 37 -23.957 -7.066 8.308
256 2HG2 VAL 37 2HG2 VAL 37 -24.582 -5.598 7.556
257 3HG2 VAL 37 3HG2 VAL 37 -22.875 -5.711 7.984
258 H GLY 38 H GLY 38 -21.931 -6.110 4.176
259 1HA GLY 38 2HA GLY 38 -21.189 -6.419 1.968
260 2HA GLY 38 1HA GLY 38 -20.312 -7.841 2.534
261 H GLY 39 H GLY 39 -20.951 -9.160 0.781
262 1HA GLY 39 2HA GLY 39 -23.009 -10.914 0.955
263 2HA GLY 39 1HA GLY 39 -23.817 -9.531 0.217
264 H ILE 40 H ILE 40 -23.358 -12.141 -1.006
265 HA ILE 40 HA ILE 40 -21.403 -11.453 -3.145
266 HB ILE 40 HB ILE 40 -22.693 -14.133 -2.568
267 1HG1 ILE 40 2HG1 ILE 40 -19.890 -13.203 -1.877
268 2HG1 ILE 40 1HG1 ILE 40 -21.217 -13.243 -0.715
269 1HG2 ILE 40 1HG2 ILE 40 -21.940 -14.132 -4.811
270 2HG2 ILE 40 2HG2 ILE 40 -20.602 -14.852 -3.915
271 3HG2 ILE 40 3HG2 ILE 40 -20.517 -13.166 -4.423
272 1HD1 ILE 40 1HD1 ILE 40 -20.215 -15.636 -2.286
273 2HD1 ILE 40 2HD1 ILE 40 -21.485 -15.654 -1.063
274 3HD1 ILE 40 3HD1 ILE 40 -19.820 -15.297 -0.601
275 H LEU 41 H LEU 41 -24.769 -11.965 -2.507
276 HA LEU 41 HA LEU 41 -25.362 -11.318 -5.348
277 1HB LEU 41 2HB LEU 41 -26.270 -13.725 -3.805
278 2HB LEU 41 1HB LEU 41 -27.371 -13.003 -4.978
279 HG LEU 41 HG LEU 41 -24.513 -13.763 -5.629
280 1HD1 LEU 41 1HD1 LEU 41 -27.039 -15.348 -5.606
281 2HD1 LEU 41 2HD1 LEU 41 -25.378 -15.880 -5.350
282 3HD1 LEU 41 3HD1 LEU 41 -25.962 -15.568 -6.984
283 1HD2 LEU 41 1HD2 LEU 41 -25.678 -13.733 -7.978
284 2HD2 LEU 41 2HD2 LEU 41 -25.224 -12.203 -7.229
285 3HD2 LEU 41 3HD2 LEU 41 -26.897 -12.754 -7.164
286 H GLY 42 H GLY 42 -27.669 -10.575 -5.585
287 1HA GLY 42 2HA GLY 42 -28.365 -8.827 -3.318
288 2HA GLY 42 1HA GLY 42 -29.111 -8.797 -4.918
289 H GLY 43 H GLY 43 -30.712 -10.446 -5.413
290 1HA GLY 43 2HA GLY 43 -31.638 -12.334 -3.440
291 2HA GLY 43 1HA GLY 43 -32.651 -10.890 -3.437
292 H ILE 44 H ILE 44 -34.457 -11.255 -4.616
293 HA ILE 44 HA ILE 44 -34.149 -12.602 -7.267
294 HB ILE 44 HB ILE 44 -36.489 -12.965 -5.370
295 1HG1 ILE 44 2HG1 ILE 44 -34.341 -14.977 -6.096
296 2HG1 ILE 44 1HG1 ILE 44 -34.295 -14.010 -4.621
297 1HG2 ILE 44 1HG2 ILE 44 -37.114 -13.204 -7.709
298 2HG2 ILE 44 2HG2 ILE 44 -37.044 -14.806 -6.978
299 3HG2 ILE 44 3HG2 ILE 44 -35.726 -14.250 -8.009
300 1HD1 ILE 44 1HD1 ILE 44 -36.493 -14.919 -3.956
301 2HD1 ILE 44 2HD1 ILE 44 -35.316 -16.212 -4.189
302 3HD1 ILE 44 3HD1 ILE 44 -36.532 -15.893 -5.426
303 H LEU 45 H LEU 45 -34.505 -10.955 -8.685
304 HA LEU 45 HA LEU 45 -36.747 -9.061 -8.105
305 1HB LEU 45 2HB LEU 45 -34.239 -8.760 -9.775
306 2HB LEU 45 1HB LEU 45 -35.575 -7.609 -9.835
307 HG LEU 45 HG LEU 45 -34.247 -8.396 -7.235
308 1HD1 LEU 45 1HD1 LEU 45 -33.131 -6.076 -7.537
309 2HD1 LEU 45 2HD1 LEU 45 -33.493 -6.281 -9.251
310 3HD1 LEU 45 3HD1 LEU 45 -32.446 -7.436 -8.427
311 1HD2 LEU 45 1HD2 LEU 45 -35.165 -5.980 -6.767
312 2HD2 LEU 45 2HD2 LEU 45 -36.286 -7.341 -6.765
313 3HD2 LEU 45 3HD2 LEU 45 -36.179 -6.289 -8.175
Start of MODEL 11
1 1H LEU 1 1HT LEU 1 2.988 -2.300 -15.570
2 2H LEU 1 2HT LEU 1 2.759 -2.867 -13.984
3 3H LEU 1 3HT LEU 1 4.287 -2.314 -14.480
4 HA LEU 1 HA LEU 1 3.516 -0.078 -14.664
5 1HB LEU 1 2HB LEU 1 0.889 -1.465 -14.444
6 2HB LEU 1 1HB LEU 1 1.017 0.119 -13.677
7 HG LEU 1 HG LEU 1 2.154 0.788 -15.968
8 1HD1 LEU 1 1HD1 LEU 1 0.757 -1.805 -16.516
9 2HD1 LEU 1 2HD1 LEU 1 2.254 -1.173 -17.203
10 3HD1 LEU 1 3HD1 LEU 1 0.699 -0.542 -17.745
11 1HD2 LEU 1 1HD2 LEU 1 0.235 1.991 -15.539
12 2HD2 LEU 1 2HD2 LEU 1 -0.710 0.548 -15.167
13 3HD2 LEU 1 3HD2 LEU 1 -0.381 0.978 -16.846
14 H LEU 2 H LEU 2 3.087 1.322 -12.725
15 HA LEU 2 HA LEU 2 4.124 0.008 -10.312
16 1HB LEU 2 2HB LEU 2 4.596 2.447 -11.330
17 2HB LEU 2 1HB LEU 2 3.241 2.861 -10.283
18 HG LEU 2 HG LEU 2 5.365 3.148 -9.084
19 1HD1 LEU 2 1HD1 LEU 2 4.837 1.854 -7.111
20 2HD1 LEU 2 2HD1 LEU 2 3.939 0.676 -8.067
21 3HD1 LEU 2 3HD1 LEU 2 3.319 2.316 -7.879
22 1HD2 LEU 2 1HD2 LEU 2 6.417 1.212 -10.525
23 2HD2 LEU 2 2HD2 LEU 2 5.843 0.185 -9.212
24 3HD2 LEU 2 3HD2 LEU 2 6.989 1.483 -8.878
25 H ALA 3 H ALA 3 2.503 -1.224 -9.376
26 HA ALA 3 HA ALA 3 0.452 0.145 -7.878
27 1HB ALA 3 1HB ALA 3 -0.777 -1.724 -9.860
28 2HB ALA 3 2HB ALA 3 -0.356 -0.104 -10.416
29 3HB ALA 3 3HB ALA 3 -1.475 -0.311 -9.068
30 H CYS 4 H CYS 4 2.556 -1.738 -7.359
31 HA CYS 4 HA CYS 4 1.215 -3.586 -5.666
32 1HB CYS 4 2HB CYS 4 0.634 -4.699 -7.809
33 2HB CYS 4 1HB CYS 4 2.345 -4.801 -8.210
34 H LEU 5 H LEU 5 2.767 -2.981 -4.177
35 HA LEU 5 HA LEU 5 5.591 -2.846 -4.718
36 1HB LEU 5 2HB LEU 5 4.232 -3.296 -2.043
37 2HB LEU 5 1HB LEU 5 5.860 -2.671 -2.304
38 HG LEU 5 HG LEU 5 3.336 -1.327 -3.300
39 1HD1 LEU 5 1HD1 LEU 5 3.772 -1.452 -0.740
40 2HD1 LEU 5 2HD1 LEU 5 3.445 0.128 -1.452
41 3HD1 LEU 5 3HD1 LEU 5 5.101 -0.340 -1.067
42 1HD2 LEU 5 1HD2 LEU 5 5.280 -0.781 -4.655
43 2HD2 LEU 5 2HD2 LEU 5 6.252 -0.495 -3.211
44 3HD2 LEU 5 3HD2 LEU 5 4.926 0.597 -3.613
45 H PHE 6 H PHE 6 3.450 -5.381 -3.542
46 HA PHE 6 HA PHE 6 5.551 -7.378 -4.119
47 1HB PHE 6 2HB PHE 6 4.295 -6.970 -1.398
48 2HB PHE 6 1HB PHE 6 5.048 -8.491 -1.874
49 HD1 PHE 6 1HD PHE 6 7.446 -8.148 -3.078
50 HD2 PHE 6 2HD PHE 6 5.640 -5.442 -0.272
51 HE1 PHE 6 1HE PHE 6 9.679 -7.213 -2.543
52 HE2 PHE 6 2HE PHE 6 7.874 -4.508 0.264
53 HZ PHE 6 HZ PHE 6 9.893 -5.393 -0.871
54 H GLY 7 H GLY 7 2.526 -7.558 -2.257
55 1HA GLY 7 2HA GLY 7 0.433 -8.481 -2.896
56 2HA GLY 7 1HA GLY 7 1.088 -8.773 -4.508
57 H ASN 8 H ASN 8 2.615 -9.822 -1.498
58 HA ASN 8 HA ASN 8 2.454 -12.616 -2.482
59 1HB ASN 8 2HB ASN 8 4.568 -11.302 -1.485
60 2HB ASN 8 1HB ASN 8 3.913 -11.933 0.026
61 1HD2 ASN 8 1HD2 ASN 8 6.407 -12.793 -1.419
62 2HD2 ASN 8 2HD2 ASN 8 6.208 -14.452 -1.716
63 H GLY 9 H GLY 9 0.197 -11.037 -1.114
64 1HA GLY 9 2HA GLY 9 -1.593 -11.667 0.250
65 2HA GLY 9 1HA GLY 9 -0.812 -13.231 0.448
66 H ARG 10 H ARG 10 1.370 -10.775 1.317
67 HA ARG 10 HA ARG 10 0.492 -10.899 4.174
68 1HB ARG 10 2HB ARG 10 2.929 -11.032 4.781
69 2HB ARG 10 1HB ARG 10 2.336 -12.464 3.936
70 1HG ARG 10 2HG ARG 10 3.162 -11.481 1.800
71 2HG ARG 10 1HG ARG 10 3.872 -10.159 2.715
72 1HD ARG 10 2HD ARG 10 4.926 -12.194 4.099
73 2HD ARG 10 1HD ARG 10 4.714 -13.017 2.553
74 HE ARG 10 HE ARG 10 6.497 -11.742 1.717
75 1HH1 ARG 10 1HH2 ARG 10 5.123 -10.150 4.512
76 2HH1 ARG 10 2HH2 ARG 10 6.321 -8.905 4.516
77 1HH2 ARG 10 1HH1 ARG 10 8.026 -10.109 1.759
78 2HH2 ARG 10 2HH1 ARG 10 7.948 -8.879 2.976
79 H CYS 11 H CYS 11 0.527 -8.945 5.182
80 HA CYS 11 HA CYS 11 2.210 -6.749 4.143
81 1HB CYS 11 2HB CYS 11 0.198 -5.205 4.098
82 2HB CYS 11 1HB CYS 11 0.268 -6.384 2.797
83 H SER 12 H SER 12 1.979 -4.773 5.513
84 HA SER 12 HA SER 12 1.510 -5.535 8.359
85 1HB SER 12 2HB SER 12 2.929 -3.461 8.813
86 2HB SER 12 1HB SER 12 3.778 -4.813 8.069
87 HG SER 12 HG SER 12 4.302 -3.254 6.713
88 H SER 13 H SER 13 0.697 -3.316 5.813
89 HA SER 13 HA SER 13 -1.598 -2.323 7.387
90 1HB SER 13 2HB SER 13 -1.098 0.023 6.661
91 2HB SER 13 1HB SER 13 0.106 -0.617 7.775
92 HG SER 13 HG SER 13 0.359 0.172 5.181
93 H ASN 14 H ASN 14 -2.819 -0.709 5.657
94 HA ASN 14 HA ASN 14 -3.626 -2.433 3.500
95 1HB ASN 14 2HB ASN 14 -4.254 0.353 4.367
96 2HB ASN 14 1HB ASN 14 -4.661 -0.100 2.711
97 1HD2 ASN 14 1HD2 ASN 14 -6.909 -0.458 2.829
98 2HD2 ASN 14 2HD2 ASN 14 -7.645 -1.531 3.919
99 H ARG 15 H ARG 15 -1.459 0.369 3.665
100 HA ARG 15 HA ARG 15 -1.082 0.621 0.826
101 1HB ARG 15 2HB ARG 15 0.541 1.522 3.208
102 2HB ARG 15 1HB ARG 15 1.041 1.857 1.550
103 1HG ARG 15 2HG ARG 15 -0.771 3.265 1.142
104 2HG ARG 15 1HG ARG 15 -1.761 2.520 2.398
105 1HD ARG 15 2HD ARG 15 -1.177 4.440 3.524
106 2HD ARG 15 1HD ARG 15 0.221 3.451 3.949
107 HE ARG 15 HE ARG 15 0.773 4.782 1.490
108 1HH1 ARG 15 1HH2 ARG 15 0.328 5.476 4.889
109 2HH1 ARG 15 2HH2 ARG 15 1.350 6.869 4.842
110 1HH2 ARG 15 1HH1 ARG 15 2.089 6.591 1.474
111 2HH2 ARG 15 2HH1 ARG 15 2.338 7.495 2.931
112 H ASP 16 H ASP 16 -0.026 -1.824 2.947
113 HA ASP 16 HA ASP 16 2.449 -2.388 1.456
114 1HB ASP 16 2HB ASP 16 1.110 -3.460 3.891
115 2HB ASP 16 1HB ASP 16 2.199 -4.538 3.017
116 H CYS 17 H CYS 17 -0.570 -2.682 0.424
117 HA CYS 17 HA CYS 17 -0.192 -5.472 -0.599
118 1HB CYS 17 2HB CYS 17 -2.741 -3.871 -0.231
119 2HB CYS 17 1HB CYS 17 -2.652 -5.469 -0.972
120 H CYS 18 H CYS 18 -1.839 -5.488 -2.771
121 HA CYS 18 HA CYS 18 -0.618 -3.397 -4.533
122 1HB CYS 18 2HB CYS 18 -1.621 -6.152 -5.304
123 2HB CYS 18 1HB CYS 18 -0.782 -5.012 -6.354
124 H GLU 19 H GLU 19 -2.078 -3.288 -6.680
125 HA GLU 19 HA GLU 19 -4.508 -1.995 -5.948
126 1HB GLU 19 2HB GLU 19 -3.081 -1.857 -8.145
127 2HB GLU 19 1HB GLU 19 -4.117 -3.181 -8.682
128 1HG GLU 19 2HG GLU 19 -5.291 -1.274 -9.399
129 2HG GLU 19 1HG GLU 19 -6.077 -1.671 -7.870
130 H LEU 20 H LEU 20 -3.956 -5.240 -7.355
131 HA LEU 20 HA LEU 20 -6.660 -6.051 -7.569
132 1HB LEU 20 2HB LEU 20 -4.277 -7.239 -8.102
133 2HB LEU 20 1HB LEU 20 -4.731 -8.108 -6.635
134 HG LEU 20 HG LEU 20 -7.050 -8.381 -7.771
135 1HD1 LEU 20 1HD1 LEU 20 -6.493 -8.565 -10.372
136 2HD1 LEU 20 2HD1 LEU 20 -5.331 -7.301 -9.968
137 3HD1 LEU 20 3HD1 LEU 20 -7.050 -7.050 -9.662
138 1HD2 LEU 20 1HD2 LEU 20 -4.485 -9.798 -8.315
139 2HD2 LEU 20 2HD2 LEU 20 -5.857 -10.224 -9.336
140 3HD2 LEU 20 3HD2 LEU 20 -5.972 -10.406 -7.585
141 H THR 21 H THR 21 -4.594 -5.774 -4.762
142 HA THR 21 HA THR 21 -6.889 -6.643 -3.044
143 HB THR 21 HB THR 21 -5.230 -7.575 -1.456
144 HG1 THR 21 1HG THR 21 -3.051 -7.798 -2.355
145 1HG2 THR 21 1HG2 THR 21 -5.242 -8.567 -4.301
146 2HG2 THR 21 2HG2 THR 21 -6.076 -9.233 -2.898
147 3HG2 THR 21 3HG2 THR 21 -4.329 -9.416 -3.054
148 HA PRO 22 HA PRO 22 -5.581 -2.390 -1.894
149 1HB PRO 22 2HB PRO 22 -8.103 -1.370 -1.701
150 2HB PRO 22 1HB PRO 22 -7.197 -1.455 -3.219
151 1HG PRO 22 2HG PRO 22 -9.491 -3.073 -2.308
152 2HG PRO 22 1HG PRO 22 -8.950 -2.704 -3.951
153 1HD PRO 22 2HD PRO 22 -8.528 -5.124 -2.530
154 2HD PRO 22 1HD PRO 22 -7.807 -4.666 -4.086
155 H VAL 23 H VAL 23 -6.815 -4.945 -0.207
156 HA VAL 23 HA VAL 23 -7.121 -3.249 2.240
157 HB VAL 23 HB VAL 23 -9.287 -4.192 1.552
158 1HG1 VAL 23 1HG1 VAL 23 -7.700 -6.683 1.435
159 2HG1 VAL 23 2HG1 VAL 23 -9.100 -6.188 0.490
160 3HG1 VAL 23 3HG1 VAL 23 -9.317 -6.819 2.120
161 1HG2 VAL 23 1HG2 VAL 23 -9.926 -4.702 3.708
162 2HG2 VAL 23 2HG2 VAL 23 -8.325 -4.040 4.038
163 3HG2 VAL 23 3HG2 VAL 23 -8.558 -5.787 3.965
164 H CYS 24 H CYS 24 -6.115 -3.949 4.095
165 HA CYS 24 HA CYS 24 -4.395 -6.387 3.855
166 1HB CYS 24 2HB CYS 24 -3.046 -4.326 3.750
167 2HB CYS 24 1HB CYS 24 -3.779 -3.750 5.242
168 H LYS 25 H LYS 25 -5.788 -7.745 4.992
169 HA LYS 25 HA LYS 25 -6.385 -6.936 7.818
170 1HB LYS 25 2HB LYS 25 -8.015 -8.581 5.871
171 2HB LYS 25 1HB LYS 25 -8.338 -8.560 7.605
172 1HG LYS 25 2HG LYS 25 -8.072 -5.949 6.157
173 2HG LYS 25 1HG LYS 25 -9.575 -6.859 6.001
174 1HD LYS 25 2HD LYS 25 -10.136 -6.584 8.218
175 2HD LYS 25 1HD LYS 25 -8.454 -6.533 8.746
176 1HE LYS 25 2HE LYS 25 -8.207 -4.277 8.189
177 2HE LYS 25 1HE LYS 25 -9.542 -4.314 7.038
178 1HZ LYS 25 1HZ LYS 25 -11.109 -4.302 8.738
179 2HZ LYS 25 2HZ LYS 25 -9.936 -3.196 9.275
180 3HZ LYS 25 3HZ LYS 25 -9.987 -4.767 9.922
181 H ARG 26 H ARG 26 -5.972 -8.456 9.422
182 HA ARG 26 HA ARG 26 -4.929 -10.287 10.436
183 1HB ARG 26 2HB ARG 26 -6.066 -11.497 7.922
184 2HB ARG 26 1HB ARG 26 -5.085 -12.468 9.021
185 1HG ARG 26 2HG ARG 26 -6.589 -11.963 10.874
186 2HG ARG 26 1HG ARG 26 -7.536 -10.886 9.848
187 1HD ARG 26 2HD ARG 26 -7.575 -13.159 8.346
188 2HD ARG 26 1HD ARG 26 -7.520 -13.845 9.971
189 HE ARG 26 HE ARG 26 -9.489 -11.752 9.848
190 1HH1 ARG 26 1HH2 ARG 26 -8.901 -15.058 8.866
191 2HH1 ARG 26 2HH2 ARG 26 -10.583 -15.457 8.852
192 1HH2 ARG 26 1HH1 ARG 26 -11.653 -12.314 9.818
193 2HH2 ARG 26 2HH1 ARG 26 -12.127 -13.922 9.385
194 H GLY 27 H GLY 27 -3.304 -8.462 8.873
195 1HA GLY 27 2HA GLY 27 -1.093 -8.301 8.111
196 2HA GLY 27 1HA GLY 27 -0.837 -9.887 8.839
197 H SER 28 H SER 28 -3.247 -9.348 6.342
198 HA SER 28 HA SER 28 -1.460 -10.558 4.304
199 1HB SER 28 2HB SER 28 -3.981 -11.748 5.405
200 2HB SER 28 1HB SER 28 -3.610 -11.980 3.699
201 HG SER 28 HG SER 28 -1.840 -13.101 4.224
202 H CYS 29 H CYS 29 -2.543 -10.436 2.079
203 HA CYS 29 HA CYS 29 -4.149 -7.914 1.954
204 1HB CYS 29 2HB CYS 29 -2.392 -9.225 -0.147
205 2HB CYS 29 1HB CYS 29 -3.311 -7.740 -0.382
206 H VAL 30 H VAL 30 -6.093 -7.892 0.837
207 HA VAL 30 HA VAL 30 -6.806 -10.177 -0.856
208 HB VAL 30 HB VAL 30 -8.878 -10.692 0.343
209 1HG1 VAL 30 1HG1 VAL 30 -7.909 -11.868 2.204
210 2HG1 VAL 30 2HG1 VAL 30 -6.568 -10.726 2.301
211 3HG1 VAL 30 3HG1 VAL 30 -6.691 -11.828 0.930
212 1HG2 VAL 30 1HG2 VAL 30 -7.906 -8.507 2.190
213 2HG2 VAL 30 2HG2 VAL 30 -9.059 -9.729 2.725
214 3HG2 VAL 30 3HG2 VAL 30 -9.473 -8.650 1.393
215 H SER 31 H SER 31 -9.251 -9.712 -1.559
216 HA SER 31 HA SER 31 -9.190 -6.973 -2.629
217 1HB SER 31 2HB SER 31 -9.685 -9.034 -4.045
218 2HB SER 31 1HB SER 31 -11.233 -9.125 -3.211
219 HG SER 31 HG SER 31 -10.220 -6.931 -4.711
220 H SER 32 H SER 32 -10.179 -5.398 -1.516
221 HA SER 32 HA SER 32 -11.952 -5.810 0.682
222 1HB SER 32 2HB SER 32 -12.266 -3.436 0.673
223 2HB SER 32 1HB SER 32 -10.609 -3.709 0.139
224 HG SER 32 HG SER 32 -11.628 -2.258 -1.250
225 H GLY 33 H GLY 33 -12.531 -5.414 -2.767
226 1HA GLY 33 2HA GLY 33 -15.449 -5.836 -2.249
227 2HA GLY 33 1HA GLY 33 -14.867 -4.799 -3.553
228 HA PRO 34 HA PRO 34 -15.072 -9.294 -5.037
229 1HB PRO 34 2HB PRO 34 -17.632 -9.447 -5.970
230 2HB PRO 34 1HB PRO 34 -17.177 -9.869 -4.312
231 1HG PRO 34 2HG PRO 34 -18.693 -7.554 -5.296
232 2HG PRO 34 1HG PRO 34 -18.630 -8.251 -3.672
233 1HD PRO 34 2HD PRO 34 -17.263 -5.911 -4.636
234 2HD PRO 34 1HD PRO 34 -17.179 -6.630 -3.013
235 H GLY 35 H GLY 35 -15.384 -9.977 -7.367
236 1HA GLY 35 2HA GLY 35 -16.054 -8.011 -9.386
237 2HA GLY 35 1HA GLY 35 -14.307 -8.201 -9.229
238 H LEU 36 H LEU 36 -13.583 -10.597 -9.217
239 HA LEU 36 HA LEU 36 -15.005 -11.967 -11.450
240 1HB LEU 36 2HB LEU 36 -12.178 -11.811 -10.535
241 2HB LEU 36 1HB LEU 36 -12.701 -13.357 -11.206
242 HG LEU 36 HG LEU 36 -13.718 -11.904 -13.121
243 1HD1 LEU 36 1HD1 LEU 36 -13.486 -9.691 -12.510
244 2HD1 LEU 36 2HD1 LEU 36 -11.958 -9.903 -13.363
245 3HD1 LEU 36 3HD1 LEU 36 -12.005 -9.987 -11.602
246 1HD2 LEU 36 1HD2 LEU 36 -11.656 -12.107 -14.367
247 2HD2 LEU 36 2HD2 LEU 36 -11.731 -13.466 -13.247
248 3HD2 LEU 36 3HD2 LEU 36 -10.700 -12.083 -12.886
249 H VAL 37 H VAL 37 -16.650 -12.827 -9.974
250 HA VAL 37 HA VAL 37 -15.630 -15.008 -8.199
251 HB VAL 37 HB VAL 37 -17.906 -14.857 -7.125
252 1HG1 VAL 37 1HG1 VAL 37 -15.825 -13.664 -6.294
253 2HG1 VAL 37 2HG1 VAL 37 -17.349 -12.928 -5.800
254 3HG1 VAL 37 3HG1 VAL 37 -16.414 -12.221 -7.118
255 1HG2 VAL 37 1HG2 VAL 37 -18.237 -12.164 -8.380
256 2HG2 VAL 37 2HG2 VAL 37 -19.463 -13.270 -7.762
257 3HG2 VAL 37 3HG2 VAL 37 -18.710 -13.574 -9.327
258 H GLY 38 H GLY 38 -17.728 -16.650 -7.973
259 1HA GLY 38 2HA GLY 38 -17.951 -17.808 -10.668
260 2HA GLY 38 1HA GLY 38 -18.476 -18.569 -9.166
261 H GLY 39 H GLY 39 -19.297 -15.720 -11.174
262 1HA GLY 39 2HA GLY 39 -22.067 -15.757 -10.217
263 2HA GLY 39 1HA GLY 39 -21.401 -14.655 -11.424
264 H ILE 40 H ILE 40 -23.525 -17.161 -11.041
265 HA ILE 40 HA ILE 40 -23.030 -18.466 -13.629
266 HB ILE 40 HB ILE 40 -25.372 -18.814 -11.740
267 1HG1 ILE 40 2HG1 ILE 40 -23.849 -21.014 -11.358
268 2HG1 ILE 40 1HG1 ILE 40 -22.577 -19.843 -11.705
269 1HG2 ILE 40 1HG2 ILE 40 -25.389 -21.094 -12.900
270 2HG2 ILE 40 2HG2 ILE 40 -24.280 -20.393 -14.080
271 3HG2 ILE 40 3HG2 ILE 40 -25.901 -19.724 -13.886
272 1HD1 ILE 40 1HD1 ILE 40 -23.600 -20.196 -9.230
273 2HD1 ILE 40 2HD1 ILE 40 -24.701 -18.953 -9.826
274 3HD1 ILE 40 3HD1 ILE 40 -22.963 -18.649 -9.788
275 H LEU 41 H LEU 41 -24.988 -15.914 -12.340
276 HA LEU 41 HA LEU 41 -26.100 -15.450 -15.055
277 1HB LEU 41 2HB LEU 41 -28.328 -14.915 -14.014
278 2HB LEU 41 1HB LEU 41 -27.891 -16.621 -13.910
279 HG LEU 41 HG LEU 41 -27.017 -14.881 -11.658
280 1HD1 LEU 41 1HD1 LEU 41 -29.214 -14.004 -11.803
281 2HD1 LEU 41 2HD1 LEU 41 -29.342 -15.306 -10.620
282 3HD1 LEU 41 3HD1 LEU 41 -29.894 -15.561 -12.276
283 1HD2 LEU 41 1HD2 LEU 41 -27.037 -16.872 -10.506
284 2HD2 LEU 41 2HD2 LEU 41 -26.909 -17.533 -12.136
285 3HD2 LEU 41 3HD2 LEU 41 -28.478 -17.457 -11.335
286 H GLY 42 H GLY 42 -26.472 -13.240 -15.499
287 1HA GLY 42 2HA GLY 42 -26.195 -11.228 -13.389
288 2HA GLY 42 1HA GLY 42 -24.830 -11.286 -14.506
289 H GLY 43 H GLY 43 -28.320 -10.740 -14.298
290 1HA GLY 43 2HA GLY 43 -28.352 -9.685 -17.067
291 2HA GLY 43 1HA GLY 43 -29.771 -9.970 -16.059
292 H ILE 44 H ILE 44 -30.730 -8.011 -15.781
293 HA ILE 44 HA ILE 44 -29.094 -5.575 -15.478
294 HB ILE 44 HB ILE 44 -32.110 -5.906 -15.388
295 1HG1 ILE 44 2HG1 ILE 44 -30.689 -4.761 -17.747
296 2HG1 ILE 44 1HG1 ILE 44 -30.618 -6.511 -17.544
297 1HG2 ILE 44 1HG2 ILE 44 -30.295 -3.502 -15.732
298 2HG2 ILE 44 2HG2 ILE 44 -31.390 -3.816 -14.385
299 3HG2 ILE 44 3HG2 ILE 44 -32.040 -3.466 -15.987
300 1HD1 ILE 44 1HD1 ILE 44 -32.894 -6.779 -17.841
301 2HD1 ILE 44 2HD1 ILE 44 -32.633 -5.358 -18.852
302 3HD1 ILE 44 3HD1 ILE 44 -33.271 -5.172 -17.218
303 H LEU 45 H LEU 45 -29.281 -4.194 -13.597
304 HA LEU 45 HA LEU 45 -30.622 -5.225 -11.197
305 1HB LEU 45 2HB LEU 45 -28.425 -6.460 -11.299
306 2HB LEU 45 1HB LEU 45 -27.609 -4.900 -11.183
307 HG LEU 45 HG LEU 45 -29.268 -4.625 -9.100
308 1HD1 LEU 45 1HD1 LEU 45 -29.228 -6.923 -7.931
309 2HD1 LEU 45 2HD1 LEU 45 -28.939 -7.596 -9.536
310 3HD1 LEU 45 3HD1 LEU 45 -30.421 -6.697 -9.210
311 1HD2 LEU 45 1HD2 LEU 45 -26.948 -4.371 -8.746
312 2HD2 LEU 45 2HD2 LEU 45 -26.595 -6.010 -9.295
313 3HD2 LEU 45 3HD2 LEU 45 -27.363 -5.750 -7.729
Start of MODEL 12
1 1H LEU 1 1HT LEU 1 4.294 -0.894 -16.454
2 2H LEU 1 2HT LEU 1 5.483 -1.431 -15.365
3 3H LEU 1 3HT LEU 1 4.939 0.178 -15.308
4 HA LEU 1 HA LEU 1 2.636 -0.876 -14.884
5 1HB LEU 1 2HB LEU 1 4.552 -3.122 -14.661
6 2HB LEU 1 1HB LEU 1 3.420 -2.982 -13.319
7 HG LEU 1 HG LEU 1 2.514 -4.434 -15.097
8 1HD1 LEU 1 1HD1 LEU 1 0.358 -3.561 -15.040
9 2HD1 LEU 1 2HD1 LEU 1 0.912 -1.903 -15.276
10 3HD1 LEU 1 3HD1 LEU 1 1.118 -2.686 -13.710
11 1HD2 LEU 1 1HD2 LEU 1 2.033 -3.579 -17.308
12 2HD2 LEU 1 2HD2 LEU 1 3.734 -3.259 -16.968
13 3HD2 LEU 1 3HD2 LEU 1 2.549 -1.958 -16.846
14 H LEU 2 H LEU 2 1.937 -0.483 -12.717
15 HA LEU 2 HA LEU 2 3.841 -0.114 -10.549
16 1HB LEU 2 2HB LEU 2 4.155 1.953 -11.999
17 2HB LEU 2 1HB LEU 2 2.492 2.385 -11.598
18 HG LEU 2 HG LEU 2 3.265 2.020 -9.125
19 1HD1 LEU 2 1HD1 LEU 2 5.643 2.500 -8.765
20 2HD1 LEU 2 2HD1 LEU 2 5.906 2.593 -10.506
21 3HD1 LEU 2 3HD1 LEU 2 5.468 1.055 -9.762
22 1HD2 LEU 2 1HD2 LEU 2 2.630 4.195 -10.223
23 2HD2 LEU 2 2HD2 LEU 2 4.320 4.403 -10.679
24 3HD2 LEU 2 3HD2 LEU 2 3.865 4.369 -8.975
25 H ALA 3 H ALA 3 2.268 -1.546 -9.579
26 HA ALA 3 HA ALA 3 0.201 -0.185 -8.102
27 1HB ALA 3 1HB ALA 3 -1.740 -0.807 -9.183
28 2HB ALA 3 2HB ALA 3 -1.009 -2.247 -9.892
29 3HB ALA 3 3HB ALA 3 -0.683 -0.658 -10.586
30 H CYS 4 H CYS 4 2.407 -1.891 -7.500
31 HA CYS 4 HA CYS 4 1.214 -3.705 -5.663
32 1HB CYS 4 2HB CYS 4 0.695 -4.984 -7.743
33 2HB CYS 4 1HB CYS 4 2.413 -5.026 -8.122
34 H LEU 5 H LEU 5 2.744 -2.891 -4.249
35 HA LEU 5 HA LEU 5 5.551 -2.642 -4.867
36 1HB LEU 5 2HB LEU 5 4.280 -2.888 -2.124
37 2HB LEU 5 1HB LEU 5 5.849 -2.178 -2.503
38 HG LEU 5 HG LEU 5 3.199 -1.132 -3.536
39 1HD1 LEU 5 1HD1 LEU 5 3.239 0.492 -1.850
40 2HD1 LEU 5 2HD1 LEU 5 4.956 0.253 -1.527
41 3HD1 LEU 5 3HD1 LEU 5 3.782 -0.950 -0.991
42 1HD2 LEU 5 1HD2 LEU 5 4.822 0.904 -3.905
43 2HD2 LEU 5 2HD2 LEU 5 4.817 -0.417 -5.072
44 3HD2 LEU 5 3HD2 LEU 5 6.081 -0.328 -3.847
45 H PHE 6 H PHE 6 3.565 -5.176 -3.448
46 HA PHE 6 HA PHE 6 5.896 -7.016 -3.667
47 1HB PHE 6 2HB PHE 6 4.115 -6.670 -1.243
48 2HB PHE 6 1HB PHE 6 5.148 -8.078 -1.488
49 HD1 PHE 6 1HD PHE 6 7.663 -7.490 -2.165
50 HD2 PHE 6 2HD PHE 6 4.995 -4.861 -0.065
51 HE1 PHE 6 1HE PHE 6 9.605 -6.224 -1.284
52 HE2 PHE 6 2HE PHE 6 6.936 -3.595 0.817
53 HZ PHE 6 HZ PHE 6 9.241 -4.276 0.207
54 H GLY 7 H GLY 7 2.654 -7.533 -2.310
55 1HA GLY 7 2HA GLY 7 0.796 -8.651 -3.302
56 2HA GLY 7 1HA GLY 7 1.770 -8.936 -4.746
57 H ASN 8 H ASN 8 2.970 -9.702 -1.539
58 HA ASN 8 HA ASN 8 3.163 -12.542 -2.340
59 1HB ASN 8 2HB ASN 8 4.238 -11.070 0.084
60 2HB ASN 8 1HB ASN 8 4.566 -12.760 -0.303
61 1HD2 ASN 8 1HD2 ASN 8 6.318 -10.163 -0.289
62 2HD2 ASN 8 2HD2 ASN 8 7.115 -10.232 -1.785
63 H GLY 9 H GLY 9 0.664 -10.911 -1.165
64 1HA GLY 9 2HA GLY 9 -1.267 -11.680 -0.079
65 2HA GLY 9 1HA GLY 9 -0.448 -13.212 0.196
66 H ARG 10 H ARG 10 1.626 -10.848 1.339
67 HA ARG 10 HA ARG 10 0.399 -10.927 4.062
68 1HB ARG 10 2HB ARG 10 2.740 -11.068 4.953
69 2HB ARG 10 1HB ARG 10 2.262 -12.493 4.029
70 1HG ARG 10 2HG ARG 10 3.355 -11.512 2.023
71 2HG ARG 10 1HG ARG 10 3.916 -10.170 3.010
72 1HD ARG 10 2HD ARG 10 4.832 -12.155 4.541
73 2HD ARG 10 1HD ARG 10 4.807 -13.022 3.006
74 HE ARG 10 HE ARG 10 6.065 -10.535 2.530
75 1HH1 ARG 10 1HH2 ARG 10 6.611 -13.442 4.398
76 2HH1 ARG 10 2HH2 ARG 10 8.331 -13.280 4.336
77 1HH2 ARG 10 1HH1 ARG 10 8.295 -10.365 2.474
78 2HH2 ARG 10 2HH1 ARG 10 9.276 -11.557 3.258
79 H CYS 11 H CYS 11 0.393 -8.985 5.119
80 HA CYS 11 HA CYS 11 2.129 -6.779 4.186
81 1HB CYS 11 2HB CYS 11 0.151 -5.244 3.986
82 2HB CYS 11 1HB CYS 11 0.215 -6.486 2.744
83 H SER 12 H SER 12 1.864 -4.828 5.579
84 HA SER 12 HA SER 12 1.209 -5.626 8.380
85 1HB SER 12 2HB SER 12 3.580 -4.886 7.836
86 2HB SER 12 1HB SER 12 2.918 -3.290 7.493
87 HG SER 12 HG SER 12 2.255 -3.130 9.600
88 H SER 13 H SER 13 0.492 -3.431 5.808
89 HA SER 13 HA SER 13 -1.794 -2.354 7.313
90 1HB SER 13 2HB SER 13 -1.119 -0.006 6.449
91 2HB SER 13 1HB SER 13 -0.262 -0.628 7.857
92 HG SER 13 HG SER 13 1.457 -0.344 6.691
93 H ASN 14 H ASN 14 -2.975 -0.756 5.613
94 HA ASN 14 HA ASN 14 -3.710 -2.379 3.375
95 1HB ASN 14 2HB ASN 14 -4.283 0.414 4.269
96 2HB ASN 14 1HB ASN 14 -4.648 -0.004 2.595
97 1HD2 ASN 14 1HD2 ASN 14 -6.891 -0.358 2.583
98 2HD2 ASN 14 2HD2 ASN 14 -7.703 -1.396 3.653
99 H ARG 15 H ARG 15 -1.470 0.357 3.679
100 HA ARG 15 HA ARG 15 -0.983 0.657 0.863
101 1HB ARG 15 2HB ARG 15 -0.373 2.180 2.966
102 2HB ARG 15 1HB ARG 15 1.161 1.321 2.828
103 1HG ARG 15 2HG ARG 15 1.539 2.110 0.628
104 2HG ARG 15 1HG ARG 15 -0.146 2.593 0.424
105 1HD ARG 15 2HD ARG 15 1.325 3.865 2.672
106 2HD ARG 15 1HD ARG 15 1.806 4.351 1.047
107 HE ARG 15 HE ARG 15 -1.078 4.389 1.389
108 1HH1 ARG 15 1HH2 ARG 15 1.877 6.180 1.937
109 2HH1 ARG 15 2HH2 ARG 15 1.067 7.708 1.946
110 1HH2 ARG 15 1HH1 ARG 15 -2.083 6.388 1.409
111 2HH2 ARG 15 2HH1 ARG 15 -1.150 7.826 1.650
112 H ASP 16 H ASP 16 -0.058 -1.850 2.975
113 HA ASP 16 HA ASP 16 2.425 -2.469 1.505
114 1HB ASP 16 2HB ASP 16 1.064 -3.490 3.945
115 2HB ASP 16 1HB ASP 16 2.126 -4.599 3.083
116 H CYS 17 H CYS 17 -0.561 -2.669 0.442
117 HA CYS 17 HA CYS 17 -0.311 -5.493 -0.520
118 1HB CYS 17 2HB CYS 17 -2.752 -3.736 -0.168
119 2HB CYS 17 1HB CYS 17 -2.775 -5.292 -0.997
120 H CYS 18 H CYS 18 -1.857 -5.503 -2.733
121 HA CYS 18 HA CYS 18 -0.559 -3.460 -4.496
122 1HB CYS 18 2HB CYS 18 -1.539 -6.228 -5.251
123 2HB CYS 18 1HB CYS 18 -0.655 -5.110 -6.287
124 H GLU 19 H GLU 19 -1.993 -3.534 -6.730
125 HA GLU 19 HA GLU 19 -4.432 -2.177 -6.085
126 1HB GLU 19 2HB GLU 19 -2.979 -2.064 -8.243
127 2HB GLU 19 1HB GLU 19 -3.921 -3.460 -8.761
128 1HG GLU 19 2HG GLU 19 -5.904 -1.813 -7.857
129 2HG GLU 19 1HG GLU 19 -4.740 -0.639 -8.470
130 H LEU 20 H LEU 20 -3.808 -5.470 -7.314
131 HA LEU 20 HA LEU 20 -6.506 -6.300 -7.566
132 1HB LEU 20 2HB LEU 20 -5.592 -8.618 -7.270
133 2HB LEU 20 1HB LEU 20 -4.749 -7.658 -8.484
134 HG LEU 20 HG LEU 20 -3.364 -7.040 -6.162
135 1HD1 LEU 20 1HD1 LEU 20 -3.478 -10.010 -6.074
136 2HD1 LEU 20 2HD1 LEU 20 -4.833 -9.143 -5.350
137 3HD1 LEU 20 3HD1 LEU 20 -3.191 -8.853 -4.775
138 1HD2 LEU 20 1HD2 LEU 20 -2.284 -7.481 -8.273
139 2HD2 LEU 20 2HD2 LEU 20 -2.863 -9.147 -8.283
140 3HD2 LEU 20 3HD2 LEU 20 -1.645 -8.644 -7.111
141 H THR 21 H THR 21 -4.625 -5.723 -4.712
142 HA THR 21 HA THR 21 -6.913 -6.702 -3.057
143 HB THR 21 HB THR 21 -5.175 -7.363 -1.329
144 HG1 THR 21 1HG THR 21 -3.458 -7.156 -3.577
145 1HG2 THR 21 1HG2 THR 21 -4.356 -9.272 -3.220
146 2HG2 THR 21 2HG2 THR 21 -5.950 -8.745 -3.759
147 3HG2 THR 21 3HG2 THR 21 -5.736 -9.386 -2.132
148 HA PRO 22 HA PRO 22 -5.900 -2.330 -2.056
149 1HB PRO 22 2HB PRO 22 -8.491 -1.522 -1.791
150 2HB PRO 22 1HB PRO 22 -7.634 -1.574 -3.339
151 1HG PRO 22 2HG PRO 22 -9.705 -3.405 -2.265
152 2HG PRO 22 1HG PRO 22 -9.346 -2.961 -3.940
153 1HD PRO 22 2HD PRO 22 -8.586 -5.355 -2.697
154 2HD PRO 22 1HD PRO 22 -7.907 -4.712 -4.204
155 H VAL 23 H VAL 23 -6.942 -4.914 -0.235
156 HA VAL 23 HA VAL 23 -7.158 -3.148 2.172
157 HB VAL 23 HB VAL 23 -9.359 -4.161 1.516
158 1HG1 VAL 23 1HG1 VAL 23 -9.510 -6.338 1.011
159 2HG1 VAL 23 2HG1 VAL 23 -8.952 -6.766 2.625
160 3HG1 VAL 23 3HG1 VAL 23 -7.787 -6.529 1.324
161 1HG2 VAL 23 1HG2 VAL 23 -8.982 -3.450 3.802
162 2HG2 VAL 23 2HG2 VAL 23 -8.121 -4.945 4.166
163 3HG2 VAL 23 3HG2 VAL 23 -9.852 -4.984 3.837
164 H CYS 24 H CYS 24 -6.182 -3.890 4.066
165 HA CYS 24 HA CYS 24 -4.452 -6.318 3.791
166 1HB CYS 24 2HB CYS 24 -3.089 -4.269 3.667
167 2HB CYS 24 1HB CYS 24 -3.805 -3.682 5.163
168 H LYS 25 H LYS 25 -5.785 -7.691 4.971
169 HA LYS 25 HA LYS 25 -6.278 -6.902 7.818
170 1HB LYS 25 2HB LYS 25 -8.106 -8.469 5.976
171 2HB LYS 25 1HB LYS 25 -8.379 -8.248 7.704
172 1HG LYS 25 2HG LYS 25 -7.930 -5.847 5.954
173 2HG LYS 25 1HG LYS 25 -9.522 -6.605 6.005
174 1HD LYS 25 2HD LYS 25 -9.746 -6.222 8.344
175 2HD LYS 25 1HD LYS 25 -8.034 -5.833 8.520
176 1HE LYS 25 2HE LYS 25 -9.147 -3.731 8.540
177 2HE LYS 25 1HE LYS 25 -8.477 -3.879 6.916
178 1HZ LYS 25 1HZ LYS 25 -10.535 -4.337 6.014
179 2HZ LYS 25 2HZ LYS 25 -10.923 -3.184 7.200
180 3HZ LYS 25 3HZ LYS 25 -11.202 -4.834 7.491
181 H ARG 26 H ARG 26 -6.018 -8.558 9.356
182 HA ARG 26 HA ARG 26 -5.096 -10.512 10.256
183 1HB ARG 26 2HB ARG 26 -6.379 -11.415 7.714
184 2HB ARG 26 1HB ARG 26 -5.283 -12.536 8.521
185 1HG ARG 26 2HG ARG 26 -6.562 -12.386 10.582
186 2HG ARG 26 1HG ARG 26 -7.595 -11.135 9.891
187 1HD ARG 26 2HD ARG 26 -8.630 -12.642 8.401
188 2HD ARG 26 1HD ARG 26 -7.343 -13.835 8.573
189 HE ARG 26 HE ARG 26 -8.383 -13.650 11.124
190 1HH1 ARG 26 1HH2 ARG 26 -9.764 -14.233 7.963
191 2HH1 ARG 26 2HH2 ARG 26 -11.048 -15.203 8.594
192 1HH2 ARG 26 1HH1 ARG 26 -10.062 -14.910 11.895
193 2HH2 ARG 26 2HH1 ARG 26 -11.218 -15.584 10.795
194 H GLY 27 H GLY 27 -3.370 -8.657 8.809
195 1HA GLY 27 2HA GLY 27 -1.146 -8.548 8.075
196 2HA GLY 27 1HA GLY 27 -0.960 -10.169 8.744
197 H SER 28 H SER 28 -3.317 -9.457 6.246
198 HA SER 28 HA SER 28 -1.551 -10.617 4.165
199 1HB SER 28 2HB SER 28 -4.126 -11.808 5.169
200 2HB SER 28 1HB SER 28 -3.634 -12.046 3.495
201 HG SER 28 HG SER 28 -2.626 -13.112 5.813
202 H CYS 29 H CYS 29 -2.678 -10.443 1.962
203 HA CYS 29 HA CYS 29 -4.239 -7.895 1.906
204 1HB CYS 29 2HB CYS 29 -2.502 -9.208 -0.209
205 2HB CYS 29 1HB CYS 29 -3.434 -7.735 -0.462
206 H VAL 30 H VAL 30 -6.239 -7.857 0.893
207 HA VAL 30 HA VAL 30 -7.038 -10.102 -0.825
208 HB VAL 30 HB VAL 30 -9.030 -10.662 0.464
209 1HG1 VAL 30 1HG1 VAL 30 -7.965 -11.782 2.332
210 2HG1 VAL 30 2HG1 VAL 30 -6.610 -10.654 2.289
211 3HG1 VAL 30 3HG1 VAL 30 -6.848 -11.796 0.967
212 1HG2 VAL 30 1HG2 VAL 30 -9.559 -8.559 1.510
213 2HG2 VAL 30 2HG2 VAL 30 -8.009 -8.521 2.351
214 3HG2 VAL 30 3HG2 VAL 30 -9.232 -9.707 2.808
215 H SER 31 H SER 31 -9.635 -9.605 -1.180
216 HA SER 31 HA SER 31 -9.623 -7.027 -2.535
217 1HB SER 31 2HB SER 31 -11.493 -9.359 -2.388
218 2HB SER 31 1HB SER 31 -12.113 -7.813 -2.959
219 HG SER 31 HG SER 31 -11.109 -8.160 -4.763
220 H SER 32 H SER 32 -10.069 -5.198 -1.459
221 HA SER 32 HA SER 32 -11.139 -4.986 1.144
222 1HB SER 32 2HB SER 32 -11.330 -2.636 0.729
223 2HB SER 32 1HB SER 32 -9.942 -3.187 -0.204
224 HG SER 32 HG SER 32 -12.474 -2.359 -1.042
225 H GLY 33 H GLY 33 -12.791 -5.296 -1.934
226 1HA GLY 33 2HA GLY 33 -15.407 -4.772 -0.622
227 2HA GLY 33 1HA GLY 33 -15.147 -4.878 -2.363
228 HA PRO 34 HA PRO 34 -16.113 -9.199 -0.530
229 1HB PRO 34 2HB PRO 34 -18.749 -9.135 0.167
230 2HB PRO 34 1HB PRO 34 -17.440 -8.762 1.298
231 1HG PRO 34 2HG PRO 34 -19.397 -6.959 0.046
232 2HG PRO 34 1HG PRO 34 -18.442 -6.739 1.519
233 1HD PRO 34 2HD PRO 34 -17.941 -5.612 -1.070
234 2HD PRO 34 1HD PRO 34 -16.941 -5.463 0.392
235 H GLY 35 H GLY 35 -17.780 -10.818 -1.472
236 1HA GLY 35 2HA GLY 35 -18.515 -9.920 -4.222
237 2HA GLY 35 1HA GLY 35 -18.198 -11.594 -3.760
238 H LEU 36 H LEU 36 -20.148 -9.408 -1.818
239 HA LEU 36 HA LEU 36 -22.639 -10.731 -2.759
240 1HB LEU 36 2HB LEU 36 -21.472 -11.771 -0.599
241 2HB LEU 36 1HB LEU 36 -22.267 -10.409 0.191
242 HG LEU 36 HG LEU 36 -24.412 -11.130 -0.954
243 1HD1 LEU 36 1HD1 LEU 36 -22.536 -13.289 -1.828
244 2HD1 LEU 36 2HD1 LEU 36 -23.866 -12.537 -2.708
245 3HD1 LEU 36 3HD1 LEU 36 -24.201 -13.737 -1.460
246 1HD2 LEU 36 1HD2 LEU 36 -23.181 -13.226 0.858
247 2HD2 LEU 36 2HD2 LEU 36 -24.892 -12.832 0.697
248 3HD2 LEU 36 3HD2 LEU 36 -23.786 -11.673 1.434
249 H VAL 37 H VAL 37 -24.576 -9.522 -2.121
250 HA VAL 37 HA VAL 37 -24.063 -6.629 -2.039
251 HB VAL 37 HB VAL 37 -26.712 -8.106 -2.058
252 1HG1 VAL 37 1HG1 VAL 37 -27.686 -6.044 -2.651
253 2HG1 VAL 37 2HG1 VAL 37 -26.135 -5.341 -3.112
254 3HG1 VAL 37 3HG1 VAL 37 -26.516 -5.595 -1.409
255 1HG2 VAL 37 1HG2 VAL 37 -26.589 -7.469 -4.549
256 2HG2 VAL 37 2HG2 VAL 37 -25.570 -8.809 -4.026
257 3HG2 VAL 37 3HG2 VAL 37 -24.865 -7.212 -4.280
258 H GLY 38 H GLY 38 -26.272 -8.742 -0.166
259 1HA GLY 38 2HA GLY 38 -25.526 -7.175 2.269
260 2HA GLY 38 1HA GLY 38 -27.216 -7.539 1.909
261 H GLY 39 H GLY 39 -27.577 -8.851 3.726
262 1HA GLY 39 2HA GLY 39 -26.198 -11.497 3.643
263 2HA GLY 39 1HA GLY 39 -26.400 -10.655 5.180
264 H ILE 40 H ILE 40 -28.884 -9.784 5.293
265 HA ILE 40 HA ILE 40 -30.644 -12.085 4.554
266 HB ILE 40 HB ILE 40 -30.743 -10.548 7.167
267 1HG1 ILE 40 2HG1 ILE 40 -30.102 -13.059 7.892
268 2HG1 ILE 40 1HG1 ILE 40 -29.310 -13.020 6.316
269 1HG2 ILE 40 1HG2 ILE 40 -32.881 -11.373 6.974
270 2HG2 ILE 40 2HG2 ILE 40 -32.106 -12.828 7.597
271 3HG2 ILE 40 3HG2 ILE 40 -32.398 -12.657 5.867
272 1HD1 ILE 40 1HD1 ILE 40 -28.709 -11.450 8.780
273 2HD1 ILE 40 2HD1 ILE 40 -28.484 -10.640 7.229
274 3HD1 ILE 40 3HD1 ILE 40 -27.605 -12.128 7.583
275 H LEU 41 H LEU 41 -30.474 -9.827 2.964
276 HA LEU 41 HA LEU 41 -32.277 -7.712 3.633
277 1HB LEU 41 2HB LEU 41 -31.038 -8.762 1.132
278 2HB LEU 41 1HB LEU 41 -32.454 -7.726 0.952
279 HG LEU 41 HG LEU 41 -30.265 -6.874 2.815
280 1HD1 LEU 41 1HD1 LEU 41 -28.951 -7.337 0.890
281 2HD1 LEU 41 2HD1 LEU 41 -29.322 -5.616 0.778
282 3HD1 LEU 41 3HD1 LEU 41 -30.215 -6.776 -0.204
283 1HD2 LEU 41 1HD2 LEU 41 -31.046 -4.631 1.870
284 2HD2 LEU 41 2HD2 LEU 41 -32.238 -5.515 2.823
285 3HD2 LEU 41 3HD2 LEU 41 -32.333 -5.527 1.062
286 H GLY 42 H GLY 42 -34.469 -7.703 3.727
287 1HA GLY 42 2HA GLY 42 -36.456 -8.566 2.193
288 2HA GLY 42 1HA GLY 42 -35.926 -10.128 2.820
289 H GLY 43 H GLY 43 -36.443 -6.885 4.252
290 1HA GLY 43 2HA GLY 43 -37.515 -8.099 6.695
291 2HA GLY 43 1HA GLY 43 -37.329 -6.372 6.392
292 H ILE 44 H ILE 44 -39.238 -5.324 6.273
293 HA ILE 44 HA ILE 44 -41.762 -6.684 6.040
294 HB ILE 44 HB ILE 44 -41.172 -3.742 5.595
295 1HG1 ILE 44 2HG1 ILE 44 -40.275 -4.497 7.762
296 2HG1 ILE 44 1HG1 ILE 44 -41.698 -3.486 8.005
297 1HG2 ILE 44 1HG2 ILE 44 -43.706 -4.664 6.828
298 2HG2 ILE 44 2HG2 ILE 44 -43.504 -5.055 5.122
299 3HG2 ILE 44 3HG2 ILE 44 -43.421 -3.377 5.657
300 1HD1 ILE 44 1HD1 ILE 44 -41.525 -6.505 8.183
301 2HD1 ILE 44 2HD1 ILE 44 -43.059 -5.638 8.117
302 3HD1 ILE 44 3HD1 ILE 44 -41.954 -5.373 9.465
303 H LEU 45 H LEU 45 -40.030 -4.526 3.763
304 HA LEU 45 HA LEU 45 -41.874 -5.206 1.591
305 1HB LEU 45 2HB LEU 45 -40.356 -3.021 2.060
306 2HB LEU 45 1HB LEU 45 -39.264 -3.907 0.994
307 HG LEU 45 HG LEU 45 -42.174 -3.348 0.354
308 1HD1 LEU 45 1HD1 LEU 45 -41.186 -1.719 -1.300
309 2HD1 LEU 45 2HD1 LEU 45 -39.633 -1.929 -0.492
310 3HD1 LEU 45 3HD1 LEU 45 -40.996 -1.237 0.386
311 1HD2 LEU 45 1HD2 LEU 45 -41.357 -3.965 -1.963
312 2HD2 LEU 45 2HD2 LEU 45 -41.346 -5.299 -0.809
313 3HD2 LEU 45 3HD2 LEU 45 -39.841 -4.477 -1.221
Start of MODEL 13
1 1H LEU 1 1HT LEU 1 5.089 0.443 -15.720
2 2H LEU 1 2HT LEU 1 4.297 -0.072 -17.131
3 3H LEU 1 3HT LEU 1 5.340 -1.129 -16.303
4 HA LEU 1 HA LEU 1 2.631 -0.235 -15.563
5 1HB LEU 1 2HB LEU 1 4.027 -2.930 -15.510
6 2HB LEU 1 1HB LEU 1 2.316 -2.637 -15.197
7 HG LEU 1 HG LEU 1 2.466 -1.455 -17.589
8 1HD1 LEU 1 1HD1 LEU 1 3.974 -3.267 -18.880
9 2HD1 LEU 1 2HD1 LEU 1 4.873 -3.199 -17.364
10 3HD1 LEU 1 3HD1 LEU 1 4.633 -1.732 -18.313
11 1HD2 LEU 1 1HD2 LEU 1 0.888 -3.137 -17.477
12 2HD2 LEU 1 2HD2 LEU 1 2.012 -4.285 -16.751
13 3HD2 LEU 1 3HD2 LEU 1 2.086 -3.954 -18.481
14 H LEU 2 H LEU 2 2.092 -0.011 -13.421
15 HA LEU 2 HA LEU 2 3.847 -1.043 -11.302
16 1HB LEU 2 2HB LEU 2 4.109 1.225 -10.258
17 2HB LEU 2 1HB LEU 2 4.981 1.048 -11.779
18 HG LEU 2 HG LEU 2 2.450 1.933 -12.570
19 1HD1 LEU 2 1HD1 LEU 2 3.138 2.933 -9.863
20 2HD1 LEU 2 2HD1 LEU 2 1.566 2.806 -10.650
21 3HD1 LEU 2 3HD1 LEU 2 2.631 4.160 -11.024
22 1HD2 LEU 2 1HD2 LEU 2 3.823 4.207 -12.693
23 2HD2 LEU 2 2HD2 LEU 2 4.249 2.841 -13.724
24 3HD2 LEU 2 3HD2 LEU 2 5.169 3.155 -12.252
25 H ALA 3 H ALA 3 2.434 -1.855 -9.846
26 HA ALA 3 HA ALA 3 0.353 -0.339 -8.611
27 1HB ALA 3 1HB ALA 3 -0.559 -2.303 -10.739
28 2HB ALA 3 2HB ALA 3 -0.791 -0.555 -10.768
29 3HB ALA 3 3HB ALA 3 -1.618 -1.534 -9.558
30 H CYS 4 H CYS 4 2.436 -2.045 -7.753
31 HA CYS 4 HA CYS 4 1.091 -3.696 -5.868
32 1HB CYS 4 2HB CYS 4 0.648 -5.122 -7.848
33 2HB CYS 4 1HB CYS 4 2.375 -5.190 -8.182
34 H LEU 5 H LEU 5 2.556 -2.806 -4.424
35 HA LEU 5 HA LEU 5 5.374 -2.559 -4.843
36 1HB LEU 5 2HB LEU 5 3.922 -2.880 -2.199
37 2HB LEU 5 1HB LEU 5 5.527 -2.188 -2.433
38 HG LEU 5 HG LEU 5 2.993 -1.072 -3.661
39 1HD1 LEU 5 1HD1 LEU 5 3.038 -0.888 -1.173
40 2HD1 LEU 5 2HD1 LEU 5 3.146 0.683 -1.967
41 3HD1 LEU 5 3HD1 LEU 5 4.593 -0.064 -1.289
42 1HD2 LEU 5 1HD2 LEU 5 5.900 -0.303 -3.664
43 2HD2 LEU 5 2HD2 LEU 5 4.668 0.952 -3.801
44 3HD2 LEU 5 3HD2 LEU 5 4.759 -0.332 -5.008
45 H PHE 6 H PHE 6 3.389 -5.128 -3.463
46 HA PHE 6 HA PHE 6 5.717 -6.962 -3.716
47 1HB PHE 6 2HB PHE 6 3.995 -6.646 -1.241
48 2HB PHE 6 1HB PHE 6 5.117 -7.982 -1.502
49 HD1 PHE 6 1HD PHE 6 4.759 -4.570 -0.415
50 HD2 PHE 6 2HD PHE 6 7.582 -7.425 -1.943
51 HE1 PHE 6 1HE PHE 6 6.628 -3.158 0.401
52 HE2 PHE 6 2HE PHE 6 9.451 -6.013 -1.126
53 HZ PHE 6 HZ PHE 6 8.974 -3.880 0.045
54 H GLY 7 H GLY 7 2.502 -7.428 -2.267
55 1HA GLY 7 2HA GLY 7 0.626 -8.590 -3.146
56 2HA GLY 7 1HA GLY 7 1.524 -8.851 -4.641
57 H ASN 8 H ASN 8 2.899 -9.638 -1.509
58 HA ASN 8 HA ASN 8 3.091 -12.462 -2.356
59 1HB ASN 8 2HB ASN 8 4.950 -10.964 -1.227
60 2HB ASN 8 1HB ASN 8 4.144 -11.456 0.263
61 1HD2 ASN 8 1HD2 ASN 8 6.198 -12.553 -2.351
62 2HD2 ASN 8 2HD2 ASN 8 6.409 -14.138 -1.782
63 H GLY 9 H GLY 9 0.610 -10.896 -1.068
64 1HA GLY 9 2HA GLY 9 -1.274 -11.739 0.048
65 2HA GLY 9 1HA GLY 9 -0.396 -13.240 0.309
66 H ARG 10 H ARG 10 1.651 -10.862 1.420
67 HA ARG 10 HA ARG 10 0.446 -10.926 4.154
68 1HB ARG 10 2HB ARG 10 2.797 -11.054 5.027
69 2HB ARG 10 1HB ARG 10 2.305 -12.490 4.126
70 1HG ARG 10 2HG ARG 10 3.375 -11.527 2.096
71 2HG ARG 10 1HG ARG 10 3.961 -10.185 3.069
72 1HD ARG 10 2HD ARG 10 4.535 -12.984 3.976
73 2HD ARG 10 1HD ARG 10 5.494 -12.304 2.661
74 HE ARG 10 HE ARG 10 5.322 -10.489 4.915
75 1HH1 ARG 10 1HH2 ARG 10 6.963 -13.319 3.677
76 2HH1 ARG 10 2HH2 ARG 10 8.379 -13.036 4.627
77 1HH2 ARG 10 1HH1 ARG 10 7.175 -10.162 6.125
78 2HH2 ARG 10 2HH1 ARG 10 8.500 -11.269 5.999
79 H CYS 11 H CYS 11 0.450 -8.982 5.208
80 HA CYS 11 HA CYS 11 2.173 -6.777 4.251
81 1HB CYS 11 2HB CYS 11 0.181 -5.243 4.094
82 2HB CYS 11 1HB CYS 11 0.261 -6.460 2.830
83 H SER 12 H SER 12 1.928 -4.825 5.630
84 HA SER 12 HA SER 12 1.318 -5.600 8.446
85 1HB SER 12 2HB SER 12 3.105 -3.413 7.346
86 2HB SER 12 1HB SER 12 2.795 -3.681 9.059
87 HG SER 12 HG SER 12 4.120 -5.316 9.020
88 H SER 13 H SER 13 0.587 -3.396 5.876
89 HA SER 13 HA SER 13 -1.717 -2.352 7.391
90 1HB SER 13 2HB SER 13 -1.178 -0.040 7.003
91 2HB SER 13 1HB SER 13 0.254 -0.769 7.724
92 HG SER 13 HG SER 13 1.009 -1.069 5.529
93 H ASN 14 H ASN 14 -2.884 -0.731 5.660
94 HA ASN 14 HA ASN 14 -3.631 -2.403 3.450
95 1HB ASN 14 2HB ASN 14 -4.248 0.382 4.332
96 2HB ASN 14 1HB ASN 14 -4.609 -0.046 2.660
97 1HD2 ASN 14 1HD2 ASN 14 -6.854 -0.414 2.675
98 2HD2 ASN 14 2HD2 ASN 14 -7.643 -1.473 3.741
99 H ARG 15 H ARG 15 -1.410 0.342 3.738
100 HA ARG 15 HA ARG 15 -0.943 0.652 0.918
101 1HB ARG 15 2HB ARG 15 0.490 1.518 3.409
102 2HB ARG 15 1HB ARG 15 1.272 1.715 1.840
103 1HG ARG 15 2HG ARG 15 -0.368 3.200 1.063
104 2HG ARG 15 1HG ARG 15 -1.560 2.650 2.240
105 1HD ARG 15 2HD ARG 15 -0.620 3.885 3.974
106 2HD ARG 15 1HD ARG 15 0.974 3.920 3.221
107 HE ARG 15 HE ARG 15 -1.138 5.851 2.800
108 1HH1 ARG 15 1HH2 ARG 15 1.536 4.219 1.246
109 2HH1 ARG 15 2HH2 ARG 15 1.782 5.493 0.106
110 1HH2 ARG 15 1HH1 ARG 15 -0.784 7.478 1.305
111 2HH2 ARG 15 2HH1 ARG 15 0.485 7.320 0.136
112 H ASP 16 H ASP 16 -0.005 -1.858 3.022
113 HA ASP 16 HA ASP 16 2.471 -2.476 1.546
114 1HB ASP 16 2HB ASP 16 1.105 -3.505 3.981
115 2HB ASP 16 1HB ASP 16 2.164 -4.616 3.113
116 H CYS 17 H CYS 17 -0.518 -2.666 0.480
117 HA CYS 17 HA CYS 17 -0.256 -5.478 -0.513
118 1HB CYS 17 2HB CYS 17 -2.722 -3.761 -0.126
119 2HB CYS 17 1HB CYS 17 -2.722 -5.334 -0.923
120 H CYS 18 H CYS 18 -1.880 -5.446 -2.699
121 HA CYS 18 HA CYS 18 -0.600 -3.382 -4.450
122 1HB CYS 18 2HB CYS 18 -1.563 -6.148 -5.238
123 2HB CYS 18 1HB CYS 18 -0.690 -5.009 -6.261
124 H GLU 19 H GLU 19 -2.019 -3.346 -6.649
125 HA GLU 19 HA GLU 19 -4.456 -2.024 -5.993
126 1HB GLU 19 2HB GLU 19 -2.955 -2.033 -8.184
127 2HB GLU 19 1HB GLU 19 -4.109 -3.266 -8.692
128 1HG GLU 19 2HG GLU 19 -5.030 -1.197 -9.434
129 2HG GLU 19 1HG GLU 19 -5.945 -1.625 -7.988
130 H LEU 20 H LEU 20 -3.929 -5.283 -7.392
131 HA LEU 20 HA LEU 20 -6.629 -6.079 -7.590
132 1HB LEU 20 2HB LEU 20 -4.072 -7.593 -7.110
133 2HB LEU 20 1HB LEU 20 -5.620 -8.438 -7.123
134 HG LEU 20 HG LEU 20 -4.983 -6.543 -9.358
135 1HD1 LEU 20 1HD1 LEU 20 -3.821 -9.293 -8.925
136 2HD1 LEU 20 2HD1 LEU 20 -2.996 -7.819 -9.434
137 3HD1 LEU 20 3HD1 LEU 20 -4.075 -8.657 -10.549
138 1HD2 LEU 20 1HD2 LEU 20 -6.674 -7.665 -10.442
139 2HD2 LEU 20 2HD2 LEU 20 -7.170 -8.009 -8.785
140 3HD2 LEU 20 3HD2 LEU 20 -6.261 -9.211 -9.702
141 H THR 21 H THR 21 -4.637 -5.697 -4.760
142 HA THR 21 HA THR 21 -6.932 -6.606 -3.071
143 HB THR 21 HB THR 21 -5.275 -7.513 -1.454
144 HG1 THR 21 1HG THR 21 -3.099 -7.767 -2.374
145 1HG2 THR 21 1HG2 THR 21 -5.277 -8.547 -4.287
146 2HG2 THR 21 2HG2 THR 21 -6.156 -9.170 -2.891
147 3HG2 THR 21 3HG2 THR 21 -4.410 -9.394 -3.006
148 HA PRO 22 HA PRO 22 -5.680 -2.329 -1.927
149 1HB PRO 22 2HB PRO 22 -8.220 -1.364 -1.691
150 2HB PRO 22 1HB PRO 22 -7.336 -1.425 -3.223
151 1HG PRO 22 2HG PRO 22 -9.562 -3.123 -2.265
152 2HG PRO 22 1HG PRO 22 -9.098 -2.694 -3.917
153 1HD PRO 22 2HD PRO 22 -8.559 -5.143 -2.625
154 2HD PRO 22 1HD PRO 22 -7.841 -4.579 -4.144
155 H VAL 23 H VAL 23 -6.852 -4.905 -0.216
156 HA VAL 23 HA VAL 23 -7.136 -3.210 2.234
157 HB VAL 23 HB VAL 23 -9.310 -4.169 1.568
158 1HG1 VAL 23 1HG1 VAL 23 -9.116 -6.182 0.531
159 2HG1 VAL 23 2HG1 VAL 23 -9.322 -6.791 2.170
160 3HG1 VAL 23 3HG1 VAL 23 -7.708 -6.660 1.475
161 1HG2 VAL 23 1HG2 VAL 23 -8.835 -3.774 3.943
162 2HG2 VAL 23 2HG2 VAL 23 -8.110 -5.377 4.075
163 3HG2 VAL 23 3HG2 VAL 23 -9.836 -5.214 3.752
164 H CYS 24 H CYS 24 -6.152 -3.940 4.102
165 HA CYS 24 HA CYS 24 -4.410 -6.360 3.841
166 1HB CYS 24 2HB CYS 24 -3.061 -4.298 3.749
167 2HB CYS 24 1HB CYS 24 -3.798 -3.731 5.242
168 H LYS 25 H LYS 25 -5.807 -7.723 4.969
169 HA LYS 25 HA LYS 25 -6.327 -6.971 7.822
170 1HB LYS 25 2HB LYS 25 -8.299 -7.217 5.982
171 2HB LYS 25 1HB LYS 25 -8.174 -8.894 6.511
172 1HG LYS 25 2HG LYS 25 -9.552 -8.241 8.198
173 2HG LYS 25 1HG LYS 25 -8.086 -7.569 8.911
174 1HD LYS 25 2HD LYS 25 -9.451 -5.855 6.907
175 2HD LYS 25 1HD LYS 25 -10.310 -6.093 8.429
176 1HE LYS 25 2HE LYS 25 -7.403 -5.494 8.625
177 2HE LYS 25 1HE LYS 25 -8.448 -4.172 8.105
178 1HZ LYS 25 1HZ LYS 25 -9.197 -5.809 10.434
179 2HZ LYS 25 2HZ LYS 25 -9.619 -4.205 10.068
180 3HZ LYS 25 3HZ LYS 25 -8.051 -4.570 10.611
181 H ARG 26 H ARG 26 -6.139 -8.671 9.340
182 HA ARG 26 HA ARG 26 -5.224 -10.632 10.229
183 1HB ARG 26 2HB ARG 26 -6.214 -11.597 7.543
184 2HB ARG 26 1HB ARG 26 -5.406 -12.680 8.673
185 1HG ARG 26 2HG ARG 26 -7.373 -11.181 10.131
186 2HG ARG 26 1HG ARG 26 -8.141 -11.833 8.683
187 1HD ARG 26 2HD ARG 26 -6.359 -13.669 10.214
188 2HD ARG 26 1HD ARG 26 -7.915 -13.266 10.940
189 HE ARG 26 HE ARG 26 -8.396 -13.959 8.235
190 1HH1 ARG 26 1HH2 ARG 26 -7.260 -15.451 11.188
191 2HH1 ARG 26 2HH2 ARG 26 -7.841 -17.016 10.738
192 1HH2 ARG 26 1HH1 ARG 26 -9.131 -16.002 7.694
193 2HH2 ARG 26 2HH1 ARG 26 -8.888 -17.328 8.782
194 H GLY 27 H GLY 27 -3.487 -8.729 8.847
195 1HA GLY 27 2HA GLY 27 -1.239 -8.577 8.196
196 2HA GLY 27 1HA GLY 27 -1.051 -10.207 8.842
197 H SER 28 H SER 28 -3.345 -9.496 6.286
198 HA SER 28 HA SER 28 -1.494 -10.582 4.240
199 1HB SER 28 2HB SER 28 -3.976 -11.895 5.253
200 2HB SER 28 1HB SER 28 -3.653 -11.980 3.524
201 HG SER 28 HG SER 28 -2.278 -13.086 5.678
202 H CYS 29 H CYS 29 -2.591 -10.424 2.006
203 HA CYS 29 HA CYS 29 -4.178 -7.890 1.941
204 1HB CYS 29 2HB CYS 29 -2.418 -9.170 -0.177
205 2HB CYS 29 1HB CYS 29 -3.345 -7.687 -0.401
206 H VAL 30 H VAL 30 -6.144 -7.850 0.868
207 HA VAL 30 HA VAL 30 -6.887 -10.091 -0.875
208 HB VAL 30 HB VAL 30 -8.923 -10.653 0.361
209 1HG1 VAL 30 1HG1 VAL 30 -6.754 -11.807 0.890
210 2HG1 VAL 30 2HG1 VAL 30 -7.903 -11.811 2.229
211 3HG1 VAL 30 3HG1 VAL 30 -6.543 -10.688 2.238
212 1HG2 VAL 30 1HG2 VAL 30 -9.520 -8.629 1.453
213 2HG2 VAL 30 2HG2 VAL 30 -7.942 -8.487 2.228
214 3HG2 VAL 30 3HG2 VAL 30 -9.077 -9.728 2.759
215 H SER 31 H SER 31 -9.462 -9.594 -1.330
216 HA SER 31 HA SER 31 -9.399 -6.934 -2.559
217 1HB SER 31 2HB SER 31 -11.103 -9.372 -2.807
218 2HB SER 31 1HB SER 31 -11.814 -7.827 -3.263
219 HG SER 31 HG SER 31 -9.325 -8.836 -4.195
220 H SER 32 H SER 32 -10.160 -5.188 -1.529
221 HA SER 32 HA SER 32 -11.509 -5.269 0.987
222 1HB SER 32 2HB SER 32 -11.715 -2.892 0.773
223 2HB SER 32 1HB SER 32 -10.195 -3.322 -0.006
224 HG SER 32 HG SER 32 -12.533 -2.326 -1.071
225 H GLY 33 H GLY 33 -12.694 -5.159 -2.329
226 1HA GLY 33 2HA GLY 33 -14.852 -5.617 -3.153
227 2HA GLY 33 1HA GLY 33 -15.326 -6.060 -1.511
228 HA PRO 34 HA PRO 34 -17.012 -1.770 -2.525
229 1HB PRO 34 2HB PRO 34 -19.528 -2.414 -3.363
230 2HB PRO 34 1HB PRO 34 -18.147 -2.279 -4.460
231 1HG PRO 34 2HG PRO 34 -19.592 -4.676 -3.571
232 2HG PRO 34 1HG PRO 34 -18.560 -4.444 -4.988
233 1HD PRO 34 2HD PRO 34 -17.876 -5.728 -2.508
234 2HD PRO 34 1HD PRO 34 -16.830 -5.461 -3.921
235 H GLY 35 H GLY 35 -18.864 -0.697 -1.358
236 1HA GLY 35 2HA GLY 35 -20.062 -2.344 0.812
237 2HA GLY 35 1HA GLY 35 -19.143 -0.904 1.254
238 H LEU 36 H LEU 36 -19.877 1.140 0.005
239 HA LEU 36 HA LEU 36 -22.795 1.113 -0.564
240 1HB LEU 36 2HB LEU 36 -22.017 1.831 1.905
241 2HB LEU 36 1HB LEU 36 -21.770 3.374 1.087
242 HG LEU 36 HG LEU 36 -24.163 2.890 0.091
243 1HD1 LEU 36 1HD1 LEU 36 -24.489 1.509 2.744
244 2HD1 LEU 36 2HD1 LEU 36 -24.038 0.576 1.316
245 3HD1 LEU 36 3HD1 LEU 36 -25.554 1.479 1.339
246 1HD2 LEU 36 1HD2 LEU 36 -23.543 3.816 2.908
247 2HD2 LEU 36 2HD2 LEU 36 -25.144 3.974 2.186
248 3HD2 LEU 36 3HD2 LEU 36 -23.768 4.813 1.470
249 H VAL 37 H VAL 37 -22.921 1.966 -2.575
250 HA VAL 37 HA VAL 37 -20.870 3.512 -3.823
251 HB VAL 37 HB VAL 37 -22.598 3.998 -5.554
252 1HG1 VAL 37 1HG1 VAL 37 -21.345 1.813 -5.438
253 2HG1 VAL 37 2HG1 VAL 37 -22.912 1.700 -6.238
254 3HG1 VAL 37 3HG1 VAL 37 -22.726 1.131 -4.579
255 1HG2 VAL 37 1HG2 VAL 37 -24.354 3.124 -3.323
256 2HG2 VAL 37 2HG2 VAL 37 -24.790 2.520 -4.921
257 3HG2 VAL 37 3HG2 VAL 37 -24.682 4.256 -4.634
258 H GLY 38 H GLY 38 -21.497 5.794 -4.790
259 1HA GLY 38 2HA GLY 38 -22.769 7.890 -4.289
260 2HA GLY 38 1HA GLY 38 -22.650 7.456 -2.583
261 H GLY 39 H GLY 39 -20.809 8.022 -1.453
262 1HA GLY 39 2HA GLY 39 -18.319 8.725 -2.791
263 2HA GLY 39 1HA GLY 39 -19.187 10.138 -2.187
264 H ILE 40 H ILE 40 -16.607 8.915 -1.287
265 HA ILE 40 HA ILE 40 -17.317 8.070 1.470
266 HB ILE 40 HB ILE 40 -15.729 6.641 0.250
267 1HG1 ILE 40 2HG1 ILE 40 -13.954 8.018 2.217
268 2HG1 ILE 40 1HG1 ILE 40 -15.493 7.396 2.815
269 1HG2 ILE 40 1HG2 ILE 40 -14.395 9.269 -0.206
270 2HG2 ILE 40 2HG2 ILE 40 -14.535 7.876 -1.276
271 3HG2 ILE 40 3HG2 ILE 40 -13.354 7.867 0.034
272 1HD1 ILE 40 1HD1 ILE 40 -13.427 5.811 2.848
273 2HD1 ILE 40 2HD1 ILE 40 -13.705 5.671 1.113
274 3HD1 ILE 40 3HD1 ILE 40 -14.960 5.177 2.248
275 H LEU 41 H LEU 41 -16.044 10.748 -0.305
276 HA LEU 41 HA LEU 41 -14.811 12.018 2.037
277 1HB LEU 41 2HB LEU 41 -15.350 13.020 -0.774
278 2HB LEU 41 1HB LEU 41 -14.486 13.938 0.459
279 HG LEU 41 HG LEU 41 -13.623 11.145 -0.276
280 1HD1 LEU 41 1HD1 LEU 41 -12.386 11.872 -2.090
281 2HD1 LEU 41 2HD1 LEU 41 -12.280 13.527 -1.488
282 3HD1 LEU 41 3HD1 LEU 41 -13.773 12.953 -2.231
283 1HD2 LEU 41 1HD2 LEU 41 -12.663 12.061 1.752
284 2HD2 LEU 41 2HD2 LEU 41 -12.280 13.578 0.939
285 3HD2 LEU 41 3HD2 LEU 41 -11.422 12.100 0.499
286 H GLY 42 H GLY 42 -15.599 14.020 2.954
287 1HA GLY 42 2HA GLY 42 -18.551 14.383 2.612
288 2HA GLY 42 1HA GLY 42 -17.716 14.613 4.149
289 H GLY 43 H GLY 43 -16.970 16.640 4.619
290 1HA GLY 43 2HA GLY 43 -16.331 18.545 2.473
291 2HA GLY 43 1HA GLY 43 -17.734 18.972 3.452
292 H ILE 44 H ILE 44 -15.047 17.239 4.860
293 HA ILE 44 HA ILE 44 -14.000 19.744 6.077
294 HB ILE 44 HB ILE 44 -14.717 17.283 7.697
295 1HG1 ILE 44 2HG1 ILE 44 -16.329 19.215 8.665
296 2HG1 ILE 44 1HG1 ILE 44 -16.240 19.743 6.983
297 1HG2 ILE 44 1HG2 ILE 44 -12.843 18.584 8.599
298 2HG2 ILE 44 2HG2 ILE 44 -14.273 18.814 9.605
299 3HG2 ILE 44 3HG2 ILE 44 -13.788 20.067 8.464
300 1HD1 ILE 44 1HD1 ILE 44 -16.689 16.838 7.440
301 2HD1 ILE 44 2HD1 ILE 44 -17.358 17.899 6.201
302 3HD1 ILE 44 3HD1 ILE 44 -18.030 17.915 7.830
303 H LEU 45 H LEU 45 -11.790 19.684 6.360
304 HA LEU 45 HA LEU 45 -10.424 17.149 5.569
305 1HB LEU 45 2HB LEU 45 -10.093 19.581 4.468
306 2HB LEU 45 1HB LEU 45 -8.915 19.711 5.775
307 HG LEU 45 HG LEU 45 -8.143 17.344 4.970
308 1HD1 LEU 45 1HD1 LEU 45 -9.810 18.374 2.678
309 2HD1 LEU 45 2HD1 LEU 45 -9.792 16.760 3.388
310 3HD1 LEU 45 3HD1 LEU 45 -8.443 17.298 2.390
311 1HD2 LEU 45 1HD2 LEU 45 -6.829 19.454 4.800
312 2HD2 LEU 45 2HD2 LEU 45 -7.624 19.799 3.263
313 3HD2 LEU 45 3HD2 LEU 45 -6.568 18.395 3.414
Start of MODEL 14
1 1H LEU 1 1HT LEU 1 0.864 0.473 -14.919
2 2H LEU 1 2HT LEU 1 2.299 0.285 -15.809
3 3H LEU 1 3HT LEU 1 1.494 1.780 -15.798
4 HA LEU 1 HA LEU 1 3.522 1.653 -14.355
5 1HB LEU 1 2HB LEU 1 0.779 2.499 -13.550
6 2HB LEU 1 1HB LEU 1 2.016 2.494 -12.293
7 HG LEU 1 HG LEU 1 2.696 3.714 -14.939
8 1HD1 LEU 1 1HD1 LEU 1 0.666 4.726 -13.004
9 2HD1 LEU 1 2HD1 LEU 1 0.788 4.985 -14.745
10 3HD1 LEU 1 3HD1 LEU 1 1.818 5.899 -13.645
11 1HD2 LEU 1 1HD2 LEU 1 3.332 4.422 -12.056
12 2HD2 LEU 1 2HD2 LEU 1 4.042 5.177 -13.483
13 3HD2 LEU 1 3HD2 LEU 1 4.373 3.482 -13.125
14 H LEU 2 H LEU 2 3.738 1.254 -11.799
15 HA LEU 2 HA LEU 2 3.457 -1.665 -11.466
16 1HB LEU 2 2HB LEU 2 5.471 0.028 -10.810
17 2HB LEU 2 1HB LEU 2 4.600 -0.011 -9.278
18 HG LEU 2 HG LEU 2 5.030 -2.628 -10.628
19 1HD1 LEU 2 1HD1 LEU 2 7.330 -2.681 -9.439
20 2HD1 LEU 2 2HD1 LEU 2 7.234 -0.920 -9.471
21 3HD1 LEU 2 3HD1 LEU 2 7.228 -1.832 -10.981
22 1HD2 LEU 2 1HD2 LEU 2 3.993 -2.869 -8.561
23 2HD2 LEU 2 2HD2 LEU 2 4.844 -1.493 -7.860
24 3HD2 LEU 2 3HD2 LEU 2 5.684 -3.027 -8.086
25 H ALA 3 H ALA 3 1.333 -2.116 -10.918
26 HA ALA 3 HA ALA 3 0.095 -0.565 -8.696
27 1HB ALA 3 1HB ALA 3 -1.935 -1.046 -9.629
28 2HB ALA 3 2HB ALA 3 -1.463 -2.690 -10.055
29 3HB ALA 3 3HB ALA 3 -0.976 -1.339 -11.079
30 H CYS 4 H CYS 4 2.164 -2.218 -7.887
31 HA CYS 4 HA CYS 4 0.938 -3.840 -5.896
32 1HB CYS 4 2HB CYS 4 0.439 -5.325 -7.826
33 2HB CYS 4 1HB CYS 4 2.154 -5.379 -8.216
34 H LEU 5 H LEU 5 2.443 -2.893 -4.542
35 HA LEU 5 HA LEU 5 5.266 -2.715 -5.154
36 1HB LEU 5 2HB LEU 5 3.967 -2.590 -2.419
37 2HB LEU 5 1HB LEU 5 5.527 -1.918 -2.886
38 HG LEU 5 HG LEU 5 2.863 -1.056 -4.046
39 1HD1 LEU 5 1HD1 LEU 5 3.365 -0.499 -1.579
40 2HD1 LEU 5 2HD1 LEU 5 2.964 0.851 -2.643
41 3HD1 LEU 5 3HD1 LEU 5 4.645 0.541 -2.205
42 1HD2 LEU 5 1HD2 LEU 5 4.471 0.929 -4.698
43 2HD2 LEU 5 2HD2 LEU 5 4.446 -0.533 -5.684
44 3HD2 LEU 5 3HD2 LEU 5 5.733 -0.287 -4.501
45 H PHE 6 H PHE 6 3.239 -5.064 -3.503
46 HA PHE 6 HA PHE 6 5.636 -6.832 -3.281
47 1HB PHE 6 2HB PHE 6 3.488 -6.411 -1.183
48 2HB PHE 6 1HB PHE 6 4.683 -7.707 -1.128
49 HD1 PHE 6 1HD PHE 6 4.023 -4.236 -0.433
50 HD2 PHE 6 2HD PHE 6 7.163 -7.073 -1.165
51 HE1 PHE 6 1HE PHE 6 5.667 -2.675 0.573
52 HE2 PHE 6 2HE PHE 6 8.807 -5.512 -0.159
53 HZ PHE 6 HZ PHE 6 8.059 -3.312 0.711
54 H GLY 7 H GLY 7 2.252 -7.397 -2.356
55 1HA GLY 7 2HA GLY 7 0.623 -8.780 -3.370
56 2HA GLY 7 1HA GLY 7 1.700 -8.975 -4.753
57 H ASN 8 H ASN 8 2.826 -9.595 -1.492
58 HA ASN 8 HA ASN 8 3.273 -12.421 -2.246
59 1HB ASN 8 2HB ASN 8 4.924 -10.684 -1.023
60 2HB ASN 8 1HB ASN 8 4.152 -11.385 0.400
61 1HD2 ASN 8 1HD2 ASN 8 4.885 -13.432 1.061
62 2HD2 ASN 8 2HD2 ASN 8 5.921 -14.418 0.147
63 H GLY 9 H GLY 9 0.692 -10.899 -1.009
64 1HA GLY 9 2HA GLY 9 -1.190 -11.818 0.054
65 2HA GLY 9 1HA GLY 9 -0.266 -13.287 0.334
66 H ARG 10 H ARG 10 1.706 -10.894 1.498
67 HA ARG 10 HA ARG 10 0.414 -10.939 4.193
68 1HB ARG 10 2HB ARG 10 2.738 -11.068 5.141
69 2HB ARG 10 1HB ARG 10 2.260 -12.515 4.251
70 1HG ARG 10 2HG ARG 10 3.396 -11.579 2.234
71 2HG ARG 10 1HG ARG 10 3.980 -10.247 3.219
72 1HD ARG 10 2HD ARG 10 4.488 -12.998 4.244
73 2HD ARG 10 1HD ARG 10 5.411 -12.492 2.836
74 HE ARG 10 HE ARG 10 6.516 -10.857 4.164
75 1HH1 ARG 10 1HH2 ARG 10 3.940 -12.410 5.964
76 2HH1 ARG 10 2HH2 ARG 10 4.479 -11.762 7.471
77 1HH2 ARG 10 1HH1 ARG 10 7.164 -10.048 6.136
78 2HH2 ARG 10 2HH1 ARG 10 6.278 -10.442 7.571
79 H CYS 11 H CYS 11 0.458 -9.002 5.278
80 HA CYS 11 HA CYS 11 2.191 -6.805 4.310
81 1HB CYS 11 2HB CYS 11 0.190 -5.262 4.204
82 2HB CYS 11 1HB CYS 11 0.281 -6.448 2.913
83 H SER 12 H SER 12 1.958 -4.848 5.685
84 HA SER 12 HA SER 12 1.372 -5.613 8.510
85 1HB SER 12 2HB SER 12 3.718 -4.699 7.607
86 2HB SER 12 1HB SER 12 2.917 -3.148 7.838
87 HG SER 12 HG SER 12 3.976 -3.807 9.734
88 H SER 13 H SER 13 0.676 -3.383 5.945
89 HA SER 13 HA SER 13 -1.604 -2.304 7.481
90 1HB SER 13 2HB SER 13 -0.884 0.004 6.396
91 2HB SER 13 1HB SER 13 -0.195 -0.505 7.935
92 HG SER 13 HG SER 13 0.973 -0.225 5.466
93 H ASN 14 H ASN 14 -2.763 -0.677 5.730
94 HA ASN 14 HA ASN 14 -3.580 -2.393 3.568
95 1HB ASN 14 2HB ASN 14 -4.162 0.411 4.421
96 2HB ASN 14 1HB ASN 14 -4.563 -0.043 2.765
97 1HD2 ASN 14 1HD2 ASN 14 -6.831 -0.311 2.899
98 2HD2 ASN 14 2HD2 ASN 14 -7.593 -1.383 3.972
99 H ARG 15 H ARG 15 -1.348 0.349 3.775
100 HA ARG 15 HA ARG 15 -0.925 0.617 0.945
101 1HB ARG 15 2HB ARG 15 -0.228 2.117 3.079
102 2HB ARG 15 1HB ARG 15 1.305 1.297 2.784
103 1HG ARG 15 2HG ARG 15 1.514 2.192 0.623
104 2HG ARG 15 1HG ARG 15 -0.208 2.557 0.507
105 1HD ARG 15 2HD ARG 15 -0.034 4.440 1.896
106 2HD ARG 15 1HD ARG 15 1.490 3.898 2.599
107 HE ARG 15 HE ARG 15 2.609 4.935 0.811
108 1HH1 ARG 15 1HH2 ARG 15 -0.745 4.413 -0.031
109 2HH1 ARG 15 2HH2 ARG 15 -0.607 5.270 -1.527
110 1HH2 ARG 15 1HH1 ARG 15 2.742 6.036 -1.131
111 2HH2 ARG 15 2HH1 ARG 15 1.345 6.180 -2.144
112 H ASP 16 H ASP 16 0.035 -1.867 3.070
113 HA ASP 16 HA ASP 16 2.496 -2.514 1.592
114 1HB ASP 16 2HB ASP 16 1.110 -3.529 4.021
115 2HB ASP 16 1HB ASP 16 2.161 -4.651 3.157
116 H CYS 17 H CYS 17 -0.508 -2.697 0.524
117 HA CYS 17 HA CYS 17 -0.229 -5.502 -0.485
118 1HB CYS 17 2HB CYS 17 -2.718 -3.819 -0.093
119 2HB CYS 17 1HB CYS 17 -2.692 -5.405 -0.862
120 H CYS 18 H CYS 18 -1.907 -5.447 -2.658
121 HA CYS 18 HA CYS 18 -0.593 -3.414 -4.419
122 1HB CYS 18 2HB CYS 18 -1.690 -6.125 -5.225
123 2HB CYS 18 1HB CYS 18 -0.748 -5.024 -6.230
124 H GLU 19 H GLU 19 -2.022 -3.253 -6.580
125 HA GLU 19 HA GLU 19 -4.411 -1.876 -5.878
126 1HB GLU 19 2HB GLU 19 -3.010 -2.635 -8.342
127 2HB GLU 19 1HB GLU 19 -4.759 -2.583 -8.541
128 1HG GLU 19 2HG GLU 19 -4.387 -0.305 -7.120
129 2HG GLU 19 1HG GLU 19 -2.856 -0.382 -7.990
130 H LEU 20 H LEU 20 -4.032 -5.100 -7.413
131 HA LEU 20 HA LEU 20 -6.756 -5.806 -7.563
132 1HB LEU 20 2HB LEU 20 -4.346 -7.552 -6.979
133 2HB LEU 20 1HB LEU 20 -5.944 -8.179 -7.386
134 HG LEU 20 HG LEU 20 -4.742 -6.122 -9.193
135 1HD1 LEU 20 1HD1 LEU 20 -3.267 -7.582 -10.244
136 2HD1 LEU 20 2HD1 LEU 20 -4.095 -9.016 -9.640
137 3HD1 LEU 20 3HD1 LEU 20 -3.070 -8.070 -8.560
138 1HD2 LEU 20 1HD2 LEU 20 -6.044 -7.287 -10.850
139 2HD2 LEU 20 2HD2 LEU 20 -7.068 -7.117 -9.424
140 3HD2 LEU 20 3HD2 LEU 20 -6.291 -8.661 -9.772
141 H THR 21 H THR 21 -4.678 -5.597 -4.775
142 HA THR 21 HA THR 21 -6.972 -6.414 -3.044
143 HB THR 21 HB THR 21 -5.389 -7.513 -1.521
144 HG1 THR 21 1HG THR 21 -3.194 -7.757 -2.356
145 1HG2 THR 21 1HG2 THR 21 -6.360 -8.850 -3.365
146 2HG2 THR 21 2HG2 THR 21 -4.745 -9.414 -2.937
147 3HG2 THR 21 3HG2 THR 21 -4.982 -8.431 -4.382
148 HA PRO 22 HA PRO 22 -5.394 -2.282 -1.798
149 1HB PRO 22 2HB PRO 22 -7.843 -1.098 -1.591
150 2HB PRO 22 1HB PRO 22 -6.940 -1.215 -3.109
151 1HG PRO 22 2HG PRO 22 -9.355 -2.667 -2.251
152 2HG PRO 22 1HG PRO 22 -8.750 -2.345 -3.882
153 1HD PRO 22 2HD PRO 22 -8.530 -4.782 -2.413
154 2HD PRO 22 1HD PRO 22 -7.810 -4.412 -3.992
155 H VAL 23 H VAL 23 -6.704 -4.790 -0.153
156 HA VAL 23 HA VAL 23 -7.007 -3.123 2.315
157 HB VAL 23 HB VAL 23 -9.181 -4.023 1.582
158 1HG1 VAL 23 1HG1 VAL 23 -9.031 -6.014 0.512
159 2HG1 VAL 23 2HG1 VAL 23 -9.243 -6.663 2.135
160 3HG1 VAL 23 3HG1 VAL 23 -7.627 -6.530 1.443
161 1HG2 VAL 23 1HG2 VAL 23 -8.289 -3.878 4.074
162 2HG2 VAL 23 2HG2 VAL 23 -8.463 -5.632 4.000
163 3HG2 VAL 23 3HG2 VAL 23 -9.863 -4.594 3.723
164 H CYS 24 H CYS 24 -6.084 -3.912 4.195
165 HA CYS 24 HA CYS 24 -4.382 -6.360 3.919
166 1HB CYS 24 2HB CYS 24 -3.008 -4.307 3.893
167 2HB CYS 24 1HB CYS 24 -3.753 -3.776 5.396
168 H LYS 25 H LYS 25 -5.764 -7.747 5.017
169 HA LYS 25 HA LYS 25 -6.369 -7.014 7.861
170 1HB LYS 25 2HB LYS 25 -8.440 -8.411 7.627
171 2HB LYS 25 1HB LYS 25 -8.450 -6.972 6.606
172 1HG LYS 25 2HG LYS 25 -7.884 -8.240 4.654
173 2HG LYS 25 1HG LYS 25 -7.509 -9.672 5.614
174 1HD LYS 25 2HD LYS 25 -9.679 -10.071 4.714
175 2HD LYS 25 1HD LYS 25 -9.949 -9.605 6.394
176 1HE LYS 25 2HE LYS 25 -9.870 -7.376 4.436
177 2HE LYS 25 1HE LYS 25 -11.255 -8.460 4.312
178 1HZ LYS 25 1HZ LYS 25 -11.318 -8.154 6.871
179 2HZ LYS 25 2HZ LYS 25 -11.976 -6.957 5.863
180 3HZ LYS 25 3HZ LYS 25 -10.437 -6.741 6.550
181 H ARG 26 H ARG 26 -6.102 -8.666 9.386
182 HA ARG 26 HA ARG 26 -5.186 -10.619 10.294
183 1HB ARG 26 2HB ARG 26 -6.418 -11.519 7.724
184 2HB ARG 26 1HB ARG 26 -5.332 -12.638 8.549
185 1HG ARG 26 2HG ARG 26 -7.348 -11.257 10.245
186 2HG ARG 26 1HG ARG 26 -7.961 -12.478 9.129
187 1HD ARG 26 2HD ARG 26 -5.529 -13.246 10.640
188 2HD ARG 26 1HD ARG 26 -6.996 -13.062 11.603
189 HE ARG 26 HE ARG 26 -7.469 -14.631 9.210
190 1HH1 ARG 26 1HH2 ARG 26 -6.219 -14.751 12.474
191 2HH1 ARG 26 2HH2 ARG 26 -6.537 -16.442 12.641
192 1HH2 ARG 26 1HH1 ARG 26 -7.862 -16.818 9.469
193 2HH2 ARG 26 2HH1 ARG 26 -7.457 -17.601 10.959
194 H GLY 27 H GLY 27 -3.438 -8.751 8.917
195 1HA GLY 27 2HA GLY 27 -1.203 -8.623 8.217
196 2HA GLY 27 1HA GLY 27 -1.022 -10.252 8.867
197 H SER 28 H SER 28 -3.357 -9.558 6.349
198 HA SER 28 HA SER 28 -1.541 -10.692 4.290
199 1HB SER 28 2HB SER 28 -4.068 -11.901 5.320
200 2HB SER 28 1HB SER 28 -3.761 -12.002 3.588
201 HG SER 28 HG SER 28 -2.407 -13.150 5.736
202 H CYS 29 H CYS 29 -2.592 -10.467 2.061
203 HA CYS 29 HA CYS 29 -4.115 -7.893 1.987
204 1HB CYS 29 2HB CYS 29 -2.334 -9.211 -0.087
205 2HB CYS 29 1HB CYS 29 -3.250 -7.731 -0.362
206 H VAL 30 H VAL 30 -6.051 -7.783 0.842
207 HA VAL 30 HA VAL 30 -6.802 -10.005 -0.919
208 HB VAL 30 HB VAL 30 -8.921 -10.467 0.240
209 1HG1 VAL 30 1HG1 VAL 30 -6.775 -11.713 0.784
210 2HG1 VAL 30 2HG1 VAL 30 -8.013 -11.770 2.038
211 3HG1 VAL 30 3HG1 VAL 30 -6.632 -10.686 2.210
212 1HG2 VAL 30 1HG2 VAL 30 -9.457 -8.477 1.384
213 2HG2 VAL 30 2HG2 VAL 30 -7.864 -8.373 2.135
214 3HG2 VAL 30 3HG2 VAL 30 -9.017 -9.589 2.679
215 H SER 31 H SER 31 -9.207 -9.463 -1.666
216 HA SER 31 HA SER 31 -9.084 -6.660 -2.586
217 1HB SER 31 2HB SER 31 -9.535 -8.859 -4.024
218 2HB SER 31 1HB SER 31 -11.196 -8.548 -3.529
219 HG SER 31 HG SER 31 -9.423 -6.895 -4.986
220 H SER 32 H SER 32 -10.266 -5.158 -1.568
221 HA SER 32 HA SER 32 -12.270 -5.848 0.417
222 1HB SER 32 2HB SER 32 -12.481 -3.488 0.766
223 2HB SER 32 1HB SER 32 -10.778 -3.777 0.424
224 HG SER 32 HG SER 32 -11.687 -2.025 -0.785
225 H GLY 33 H GLY 33 -12.395 -4.380 -2.834
226 1HA GLY 33 2HA GLY 33 -15.075 -5.519 -3.247
227 2HA GLY 33 1HA GLY 33 -15.013 -3.755 -3.221
228 HA PRO 34 HA PRO 34 -13.928 -4.993 -7.553
229 1HB PRO 34 2HB PRO 34 -15.981 -3.676 -8.777
230 2HB PRO 34 1HB PRO 34 -16.123 -5.327 -8.154
231 1HG PRO 34 2HG PRO 34 -17.307 -2.842 -7.130
232 2HG PRO 34 1HG PRO 34 -17.783 -4.520 -6.839
233 1HD PRO 34 2HD PRO 34 -16.277 -2.789 -5.100
234 2HD PRO 34 1HD PRO 34 -16.741 -4.481 -4.819
235 H GLY 35 H GLY 35 -13.069 -3.588 -9.238
236 1HA GLY 35 2HA GLY 35 -13.259 -0.730 -9.191
237 2HA GLY 35 1HA GLY 35 -11.786 -1.228 -8.357
238 H LEU 36 H LEU 36 -10.788 -3.266 -9.757
239 HA LEU 36 HA LEU 36 -9.835 -2.022 -12.196
240 1HB LEU 36 2HB LEU 36 -9.329 -4.557 -10.717
241 2HB LEU 36 1HB LEU 36 -8.952 -4.555 -12.441
242 HG LEU 36 HG LEU 36 -7.696 -2.365 -12.012
243 1HD1 LEU 36 1HD1 LEU 36 -8.827 -2.119 -9.716
244 2HD1 LEU 36 2HD1 LEU 36 -7.093 -1.809 -9.778
245 3HD1 LEU 36 3HD1 LEU 36 -7.692 -3.344 -9.153
246 1HD2 LEU 36 1HD2 LEU 36 -6.382 -4.516 -10.416
247 2HD2 LEU 36 2HD2 LEU 36 -5.745 -3.567 -11.759
248 3HD2 LEU 36 3HD2 LEU 36 -6.840 -4.913 -12.072
249 H VAL 37 H VAL 37 -10.129 -2.864 -14.363
250 HA VAL 37 HA VAL 37 -12.812 -4.092 -14.737
251 HB VAL 37 HB VAL 37 -12.517 -3.350 -17.114
252 1HG1 VAL 37 1HG1 VAL 37 -13.113 -1.139 -16.651
253 2HG1 VAL 37 2HG1 VAL 37 -11.943 -0.993 -15.340
254 3HG1 VAL 37 3HG1 VAL 37 -13.424 -1.921 -15.102
255 1HG2 VAL 37 1HG2 VAL 37 -10.624 -2.080 -17.779
256 2HG2 VAL 37 2HG2 VAL 37 -9.947 -3.436 -16.878
257 3HG2 VAL 37 3HG2 VAL 37 -10.090 -1.854 -16.114
258 H GLY 38 H GLY 38 -12.644 -5.346 -17.107
259 1HA GLY 38 2HA GLY 38 -11.503 -7.066 -18.351
260 2HA GLY 38 1HA GLY 38 -10.305 -7.170 -17.059
261 H GLY 39 H GLY 39 -13.875 -7.369 -17.018
262 1HA GLY 39 2HA GLY 39 -15.289 -9.088 -16.266
263 2HA GLY 39 1HA GLY 39 -13.937 -10.201 -16.478
264 H ILE 40 H ILE 40 -15.258 -10.846 -14.335
265 HA ILE 40 HA ILE 40 -13.674 -9.716 -12.070
266 HB ILE 40 HB ILE 40 -16.611 -10.469 -11.938
267 1HG1 ILE 40 2HG1 ILE 40 -15.340 -7.714 -11.852
268 2HG1 ILE 40 1HG1 ILE 40 -16.122 -8.392 -13.280
269 1HG2 ILE 40 1HG2 ILE 40 -15.899 -10.717 -9.760
270 2HG2 ILE 40 2HG2 ILE 40 -16.161 -8.974 -9.760
271 3HG2 ILE 40 3HG2 ILE 40 -14.534 -9.621 -9.969
272 1HD1 ILE 40 1HD1 ILE 40 -17.473 -8.036 -10.589
273 2HD1 ILE 40 2HD1 ILE 40 -18.236 -8.590 -12.078
274 3HD1 ILE 40 3HD1 ILE 40 -17.651 -6.932 -11.953
275 H LEU 41 H LEU 41 -13.016 -12.042 -13.516
276 HA LEU 41 HA LEU 41 -13.960 -14.308 -11.840
277 1HB LEU 41 2HB LEU 41 -12.207 -14.276 -14.318
278 2HB LEU 41 1HB LEU 41 -12.803 -15.723 -13.503
279 HG LEU 41 HG LEU 41 -14.722 -13.602 -14.442
280 1HD1 LEU 41 1HD1 LEU 41 -13.894 -15.990 -16.103
281 2HD1 LEU 41 2HD1 LEU 41 -13.166 -14.398 -16.321
282 3HD1 LEU 41 3HD1 LEU 41 -14.894 -14.621 -16.590
283 1HD2 LEU 41 1HD2 LEU 41 -15.941 -15.121 -13.214
284 2HD2 LEU 41 2HD2 LEU 41 -14.795 -16.430 -13.502
285 3HD2 LEU 41 3HD2 LEU 41 -15.951 -15.978 -14.754
286 H GLY 42 H GLY 42 -12.298 -12.367 -10.575
287 1HA GLY 42 2HA GLY 42 -10.542 -12.547 -8.988
288 2HA GLY 42 1HA GLY 42 -10.123 -14.117 -9.675
289 H GLY 43 H GLY 43 -9.363 -13.825 -12.126
290 1HA GLY 43 2HA GLY 43 -8.150 -11.564 -13.164
291 2HA GLY 43 1HA GLY 43 -6.965 -12.179 -12.009
292 H ILE 44 H ILE 44 -8.118 -12.456 -15.177
293 HA ILE 44 HA ILE 44 -7.584 -15.210 -15.742
294 HB ILE 44 HB ILE 44 -8.842 -13.741 -17.277
295 1HG1 ILE 44 2HG1 ILE 44 -6.310 -14.618 -18.681
296 2HG1 ILE 44 1HG1 ILE 44 -7.490 -15.779 -18.073
297 1HG2 ILE 44 1HG2 ILE 44 -7.534 -11.682 -16.925
298 2HG2 ILE 44 2HG2 ILE 44 -7.638 -12.074 -18.641
299 3HG2 ILE 44 3HG2 ILE 44 -6.156 -12.413 -17.748
300 1HD1 ILE 44 1HD1 ILE 44 -7.881 -15.207 -20.465
301 2HD1 ILE 44 2HD1 ILE 44 -8.120 -13.523 -19.999
302 3HD1 ILE 44 3HD1 ILE 44 -9.245 -14.762 -19.440
303 H LEU 45 H LEU 45 -5.694 -16.081 -16.890
304 HA LEU 45 HA LEU 45 -3.386 -16.439 -17.100
305 1HB LEU 45 2HB LEU 45 -3.818 -14.015 -18.193
306 2HB LEU 45 1HB LEU 45 -2.771 -13.536 -16.856
307 HG LEU 45 HG LEU 45 -1.279 -15.536 -17.648
308 1HD1 LEU 45 1HD1 LEU 45 -3.024 -16.347 -19.267
309 2HD1 LEU 45 2HD1 LEU 45 -1.455 -16.047 -20.013
310 3HD1 LEU 45 3HD1 LEU 45 -2.762 -14.880 -20.210
311 1HD2 LEU 45 1HD2 LEU 45 -1.345 -13.222 -19.569
312 2HD2 LEU 45 2HD2 LEU 45 0.047 -14.006 -18.823
313 3HD2 LEU 45 3HD2 LEU 45 -0.977 -12.934 -17.868
Start of MODEL 15
1 1H LEU 1 1HT LEU 1 4.534 5.546 -10.968
2 2H LEU 1 2HT LEU 1 4.519 6.553 -9.600
3 3H LEU 1 3HT LEU 1 3.073 5.866 -10.168
4 HA LEU 1 HA LEU 1 5.371 4.393 -9.000
5 1HB LEU 1 2HB LEU 1 2.614 5.125 -7.999
6 2HB LEU 1 1HB LEU 1 3.547 3.805 -7.294
7 HG LEU 1 HG LEU 1 4.894 6.454 -7.641
8 1HD1 LEU 1 1HD1 LEU 1 2.752 7.077 -6.640
9 2HD1 LEU 1 2HD1 LEU 1 4.020 7.160 -5.416
10 3HD1 LEU 1 3HD1 LEU 1 2.910 5.790 -5.444
11 1HD2 LEU 1 1HD2 LEU 1 5.769 4.119 -6.686
12 2HD2 LEU 1 2HD2 LEU 1 5.018 4.718 -5.207
13 3HD2 LEU 1 3HD2 LEU 1 6.299 5.648 -5.986
14 H LEU 2 H LEU 2 4.122 2.154 -8.252
15 HA LEU 2 HA LEU 2 3.050 1.055 -10.806
16 1HB LEU 2 2HB LEU 2 5.088 0.163 -9.003
17 2HB LEU 2 1HB LEU 2 3.778 -1.009 -8.939
18 HG LEU 2 HG LEU 2 5.417 -1.587 -10.696
19 1HD1 LEU 2 1HD1 LEU 2 3.105 -2.248 -11.068
20 2HD1 LEU 2 2HD1 LEU 2 3.810 -1.738 -12.602
21 3HD1 LEU 2 3HD1 LEU 2 2.722 -0.659 -11.731
22 1HD2 LEU 2 1HD2 LEU 2 5.835 0.997 -11.091
23 2HD2 LEU 2 2HD2 LEU 2 4.558 0.805 -12.292
24 3HD2 LEU 2 3HD2 LEU 2 6.036 -0.149 -12.417
25 H ALA 3 H ALA 3 1.967 -1.314 -9.659
26 HA ALA 3 HA ALA 3 -0.174 -0.261 -7.864
27 1HB ALA 3 1HB ALA 3 -0.407 -1.493 -10.548
28 2HB ALA 3 2HB ALA 3 -1.508 -0.397 -9.714
29 3HB ALA 3 3HB ALA 3 -1.522 -2.119 -9.333
30 H CYS 4 H CYS 4 2.230 -1.837 -7.271
31 HA CYS 4 HA CYS 4 1.105 -3.797 -5.547
32 1HB CYS 4 2HB CYS 4 0.714 -4.987 -7.722
33 2HB CYS 4 1HB CYS 4 2.450 -4.953 -8.008
34 H LEU 5 H LEU 5 2.556 -2.970 -4.063
35 HA LEU 5 HA LEU 5 5.388 -2.645 -4.659
36 1HB LEU 5 2HB LEU 5 4.074 -2.711 -1.930
37 2HB LEU 5 1HB LEU 5 5.614 -1.966 -2.356
38 HG LEU 5 HG LEU 5 2.980 -1.121 -3.577
39 1HD1 LEU 5 1HD1 LEU 5 4.376 0.548 -1.534
40 2HD1 LEU 5 2HD1 LEU 5 3.441 -0.831 -0.956
41 3HD1 LEU 5 3HD1 LEU 5 2.656 0.432 -1.903
42 1HD2 LEU 5 1HD2 LEU 5 5.350 0.666 -3.326
43 2HD2 LEU 5 2HD2 LEU 5 4.186 0.522 -4.644
44 3HD2 LEU 5 3HD2 LEU 5 5.484 -0.661 -4.479
45 H PHE 6 H PHE 6 3.382 -5.159 -3.260
46 HA PHE 6 HA PHE 6 5.801 -6.891 -3.126
47 1HB PHE 6 2HB PHE 6 3.705 -6.686 -0.945
48 2HB PHE 6 1HB PHE 6 5.037 -7.837 -0.980
49 HD1 PHE 6 1HD PHE 6 7.397 -7.033 -0.843
50 HD2 PHE 6 2HD PHE 6 4.050 -4.387 -0.338
51 HE1 PHE 6 1HE PHE 6 8.890 -5.338 0.179
52 HE2 PHE 6 2HE PHE 6 5.544 -2.692 0.685
53 HZ PHE 6 HZ PHE 6 7.964 -3.167 0.944
54 H GLY 7 H GLY 7 2.392 -7.381 -2.214
55 1HA GLY 7 2HA GLY 7 0.763 -8.795 -3.153
56 2HA GLY 7 1HA GLY 7 1.775 -8.919 -4.593
57 H ASN 8 H ASN 8 3.051 -9.661 -1.413
58 HA ASN 8 HA ASN 8 3.558 -12.425 -2.311
59 1HB ASN 8 2HB ASN 8 5.115 -10.691 -0.934
60 2HB ASN 8 1HB ASN 8 4.381 -11.568 0.408
61 1HD2 ASN 8 1HD2 ASN 8 6.794 -11.745 -2.058
62 2HD2 ASN 8 2HD2 ASN 8 7.229 -13.368 -1.820
63 H GLY 9 H GLY 9 0.920 -11.064 -1.002
64 1HA GLY 9 2HA GLY 9 -0.940 -12.252 -0.138
65 2HA GLY 9 1HA GLY 9 0.138 -13.562 0.315
66 H ARG 10 H ARG 10 1.904 -11.281 1.564
67 HA ARG 10 HA ARG 10 0.273 -11.020 4.059
68 1HB ARG 10 2HB ARG 10 2.425 -11.149 5.310
69 2HB ARG 10 1HB ARG 10 2.084 -12.623 4.406
70 1HG ARG 10 2HG ARG 10 3.556 -11.875 2.595
71 2HG ARG 10 1HG ARG 10 3.874 -10.372 3.451
72 1HD ARG 10 2HD ARG 10 5.593 -11.400 4.481
73 2HD ARG 10 1HD ARG 10 4.420 -12.418 5.314
74 HE ARG 10 HE ARG 10 4.995 -14.186 3.863
75 1HH1 ARG 10 1HH2 ARG 10 6.167 -11.145 2.590
76 2HH1 ARG 10 2HH2 ARG 10 7.080 -11.909 1.336
77 1HH2 ARG 10 1HH1 ARG 10 6.188 -15.129 2.224
78 2HH2 ARG 10 2HH1 ARG 10 7.093 -14.139 1.129
79 H CYS 11 H CYS 11 0.443 -9.053 5.179
80 HA CYS 11 HA CYS 11 2.197 -6.931 4.105
81 1HB CYS 11 2HB CYS 11 0.244 -5.356 3.889
82 2HB CYS 11 1HB CYS 11 0.272 -6.641 2.687
83 H SER 12 H SER 12 1.777 -4.837 5.390
84 HA SER 12 HA SER 12 1.103 -5.502 8.229
85 1HB SER 12 2HB SER 12 3.160 -3.434 7.472
86 2HB SER 12 1HB SER 12 2.951 -4.268 9.010
87 HG SER 12 HG SER 12 3.851 -5.354 6.543
88 H SER 13 H SER 13 -0.005 -3.879 5.633
89 HA SER 13 HA SER 13 -1.744 -2.154 7.079
90 1HB SER 13 2HB SER 13 -0.802 0.034 6.259
91 2HB SER 13 1HB SER 13 0.210 -0.755 7.466
92 HG SER 13 HG SER 13 0.572 -0.506 4.688
93 H ASN 14 H ASN 14 -2.934 -0.685 5.413
94 HA ASN 14 HA ASN 14 -3.731 -2.280 3.183
95 1HB ASN 14 2HB ASN 14 -4.242 0.519 4.089
96 2HB ASN 14 1HB ASN 14 -4.637 0.114 2.418
97 1HD2 ASN 14 1HD2 ASN 14 -6.885 -0.216 2.431
98 2HD2 ASN 14 2HD2 ASN 14 -7.697 -1.241 3.513
99 H ARG 15 H ARG 15 -1.465 0.443 3.436
100 HA ARG 15 HA ARG 15 -0.983 0.659 0.605
101 1HB ARG 15 2HB ARG 15 -0.348 2.212 2.729
102 2HB ARG 15 1HB ARG 15 1.201 1.409 2.469
103 1HG ARG 15 2HG ARG 15 1.358 2.206 0.232
104 2HG ARG 15 1HG ARG 15 -0.337 2.690 0.205
105 1HD ARG 15 2HD ARG 15 0.596 4.131 2.343
106 2HD ARG 15 1HD ARG 15 2.008 4.119 1.286
107 HE ARG 15 HE ARG 15 -0.465 5.559 0.807
108 1HH1 ARG 15 1HH2 ARG 15 2.212 3.924 -0.743
109 2HH1 ARG 15 2HH2 ARG 15 2.055 4.838 -2.202
110 1HH2 ARG 15 1HH1 ARG 15 -0.631 6.717 -1.101
111 2HH2 ARG 15 2HH1 ARG 15 0.464 6.402 -2.406
112 H ASP 16 H ASP 16 -0.064 -1.760 2.820
113 HA ASP 16 HA ASP 16 2.428 -2.436 1.399
114 1HB ASP 16 2HB ASP 16 1.014 -3.413 3.847
115 2HB ASP 16 1HB ASP 16 2.140 -4.504 3.039
116 H CYS 17 H CYS 17 -0.559 -2.671 0.318
117 HA CYS 17 HA CYS 17 -0.268 -5.511 -0.584
118 1HB CYS 17 2HB CYS 17 -2.750 -3.813 -0.222
119 2HB CYS 17 1HB CYS 17 -2.743 -5.390 -1.011
120 H CYS 18 H CYS 18 -1.899 -5.551 -2.773
121 HA CYS 18 HA CYS 18 -0.615 -3.537 -4.578
122 1HB CYS 18 2HB CYS 18 -1.643 -6.287 -5.338
123 2HB CYS 18 1HB CYS 18 -0.698 -5.193 -6.345
124 H GLU 19 H GLU 19 -2.064 -3.556 -6.776
125 HA GLU 19 HA GLU 19 -4.472 -2.176 -6.115
126 1HB GLU 19 2HB GLU 19 -3.188 -1.917 -8.256
127 2HB GLU 19 1HB GLU 19 -3.793 -3.494 -8.756
128 1HG GLU 19 2HG GLU 19 -5.890 -2.710 -9.178
129 2HG GLU 19 1HG GLU 19 -5.858 -1.605 -7.806
130 H LEU 20 H LEU 20 -3.983 -5.483 -7.400
131 HA LEU 20 HA LEU 20 -6.699 -6.250 -7.569
132 1HB LEU 20 2HB LEU 20 -4.235 -7.505 -7.908
133 2HB LEU 20 1HB LEU 20 -4.966 -8.401 -6.580
134 HG LEU 20 HG LEU 20 -5.578 -9.411 -8.733
135 1HD1 LEU 20 1HD1 LEU 20 -7.975 -9.494 -8.415
136 2HD1 LEU 20 2HD1 LEU 20 -7.962 -7.949 -7.563
137 3HD1 LEU 20 3HD1 LEU 20 -7.219 -9.369 -6.827
138 1HD2 LEU 20 1HD2 LEU 20 -7.364 -7.677 -9.938
139 2HD2 LEU 20 2HD2 LEU 20 -5.707 -7.959 -10.473
140 3HD2 LEU 20 3HD2 LEU 20 -6.072 -6.591 -9.423
141 H THR 21 H THR 21 -4.698 -5.780 -4.761
142 HA THR 21 HA THR 21 -6.992 -6.619 -3.034
143 HB THR 21 HB THR 21 -5.338 -7.497 -1.399
144 HG1 THR 21 1HG THR 21 -3.488 -7.036 -3.501
145 1HG2 THR 21 1HG2 THR 21 -4.630 -8.871 -3.956
146 2HG2 THR 21 2HG2 THR 21 -6.331 -8.808 -3.492
147 3HG2 THR 21 3HG2 THR 21 -5.152 -9.561 -2.418
148 HA PRO 22 HA PRO 22 -5.690 -2.326 -2.025
149 1HB PRO 22 2HB PRO 22 -8.220 -1.342 -1.756
150 2HB PRO 22 1HB PRO 22 -7.369 -1.446 -3.306
151 1HG PRO 22 2HG PRO 22 -9.573 -3.120 -2.251
152 2HG PRO 22 1HG PRO 22 -9.161 -2.715 -3.924
153 1HD PRO 22 2HD PRO 22 -8.587 -5.147 -2.629
154 2HD PRO 22 1HD PRO 22 -7.887 -4.590 -4.160
155 H VAL 23 H VAL 23 -6.872 -4.854 -0.232
156 HA VAL 23 HA VAL 23 -7.048 -3.103 2.190
157 HB VAL 23 HB VAL 23 -9.264 -4.022 1.596
158 1HG1 VAL 23 1HG1 VAL 23 -9.134 -6.063 0.601
159 2HG1 VAL 23 2HG1 VAL 23 -9.333 -6.624 2.257
160 3HG1 VAL 23 3HG1 VAL 23 -7.727 -6.556 1.535
161 1HG2 VAL 23 1HG2 VAL 23 -8.024 -5.193 4.102
162 2HG2 VAL 23 2HG2 VAL 23 -9.755 -5.010 3.819
163 3HG2 VAL 23 3HG2 VAL 23 -8.727 -3.583 3.949
164 H CYS 24 H CYS 24 -6.068 -3.861 4.070
165 HA CYS 24 HA CYS 24 -4.397 -6.329 3.793
166 1HB CYS 24 2HB CYS 24 -2.978 -4.323 3.614
167 2HB CYS 24 1HB CYS 24 -3.655 -3.690 5.110
168 H LYS 25 H LYS 25 -5.726 -7.655 5.020
169 HA LYS 25 HA LYS 25 -6.110 -6.838 7.873
170 1HB LYS 25 2HB LYS 25 -8.097 -8.207 6.040
171 2HB LYS 25 1HB LYS 25 -8.286 -8.124 7.792
172 1HG LYS 25 2HG LYS 25 -7.783 -5.609 6.224
173 2HG LYS 25 1HG LYS 25 -9.411 -6.284 6.300
174 1HD LYS 25 2HD LYS 25 -9.625 -5.881 8.564
175 2HD LYS 25 1HD LYS 25 -7.891 -6.018 8.859
176 1HE LYS 25 2HE LYS 25 -8.445 -3.696 9.109
177 2HE LYS 25 1HE LYS 25 -7.610 -3.852 7.564
178 1HZ LYS 25 1HZ LYS 25 -10.557 -3.985 7.775
179 2HZ LYS 25 2HZ LYS 25 -9.611 -3.711 6.391
180 3HZ LYS 25 3HZ LYS 25 -9.740 -2.511 7.587
181 H ARG 26 H ARG 26 -5.928 -8.538 9.389
182 HA ARG 26 HA ARG 26 -5.091 -10.549 10.238
183 1HB ARG 26 2HB ARG 26 -6.351 -11.427 7.646
184 2HB ARG 26 1HB ARG 26 -5.470 -12.579 8.649
185 1HG ARG 26 2HG ARG 26 -6.967 -11.479 10.568
186 2HG ARG 26 1HG ARG 26 -8.036 -11.157 9.201
187 1HD ARG 26 2HD ARG 26 -8.022 -13.531 8.596
188 2HD ARG 26 1HD ARG 26 -6.893 -13.876 9.905
189 HE ARG 26 HE ARG 26 -9.057 -12.649 11.154
190 1HH1 ARG 26 1HH2 ARG 26 -8.602 -15.448 9.107
191 2HH1 ARG 26 2HH2 ARG 26 -9.932 -16.300 9.807
192 1HH2 ARG 26 1HH1 ARG 26 -10.771 -13.789 12.031
193 2HH2 ARG 26 2HH1 ARG 26 -11.149 -15.373 11.443
194 H GLY 27 H GLY 27 -3.311 -8.766 8.779
195 1HA GLY 27 2HA GLY 27 -1.104 -8.750 7.987
196 2HA GLY 27 1HA GLY 27 -0.977 -10.382 8.641
197 H SER 28 H SER 28 -3.398 -9.656 6.226
198 HA SER 28 HA SER 28 -1.695 -10.800 4.083
199 1HB SER 28 2HB SER 28 -4.216 -11.996 5.192
200 2HB SER 28 1HB SER 28 -3.849 -12.190 3.481
201 HG SER 28 HG SER 28 -2.257 -12.940 5.709
202 H CYS 29 H CYS 29 -2.584 -10.368 1.925
203 HA CYS 29 HA CYS 29 -4.246 -7.905 1.929
204 1HB CYS 29 2HB CYS 29 -2.591 -9.202 -0.262
205 2HB CYS 29 1HB CYS 29 -3.489 -7.695 -0.436
206 H VAL 30 H VAL 30 -6.224 -7.808 0.887
207 HA VAL 30 HA VAL 30 -7.086 -10.042 -0.809
208 HB VAL 30 HB VAL 30 -9.109 -10.516 0.483
209 1HG1 VAL 30 1HG1 VAL 30 -6.965 -11.741 0.963
210 2HG1 VAL 30 2HG1 VAL 30 -8.081 -11.700 2.327
211 3HG1 VAL 30 3HG1 VAL 30 -6.685 -10.624 2.298
212 1HG2 VAL 30 1HG2 VAL 30 -7.999 -8.370 2.300
213 2HG2 VAL 30 2HG2 VAL 30 -9.162 -9.564 2.876
214 3HG2 VAL 30 3HG2 VAL 30 -9.601 -8.462 1.570
215 H SER 31 H SER 31 -9.671 -9.465 -1.169
216 HA SER 31 HA SER 31 -9.557 -6.861 -2.494
217 1HB SER 31 2HB SER 31 -11.887 -7.538 -3.267
218 2HB SER 31 1HB SER 31 -10.583 -8.616 -3.756
219 HG SER 31 HG SER 31 -12.739 -9.222 -2.393
220 H SER 32 H SER 32 -10.156 -5.035 -1.498
221 HA SER 32 HA SER 32 -11.391 -4.947 1.083
222 1HB SER 32 2HB SER 32 -11.440 -2.572 0.801
223 2HB SER 32 1HB SER 32 -9.991 -3.126 -0.033
224 HG SER 32 HG SER 32 -11.054 -1.784 -1.428
225 H GLY 33 H GLY 33 -12.703 -4.611 -2.199
226 1HA GLY 33 2HA GLY 33 -14.908 -4.885 -2.965
227 2HA GLY 33 1HA GLY 33 -15.318 -5.518 -1.370
228 HA PRO 34 HA PRO 34 -15.923 -0.789 -0.962
229 1HB PRO 34 2HB PRO 34 -15.032 0.839 -2.963
230 2HB PRO 34 1HB PRO 34 -13.999 0.273 -1.642
231 1HG PRO 34 2HG PRO 34 -13.976 -0.483 -4.477
232 2HG PRO 34 1HG PRO 34 -12.711 -0.664 -3.254
233 1HD PRO 34 2HD PRO 34 -14.512 -2.684 -4.244
234 2HD PRO 34 1HD PRO 34 -13.240 -2.861 -3.016
235 H GLY 35 H GLY 35 -18.163 -1.124 -1.290
236 1HA GLY 35 2HA GLY 35 -20.245 -0.775 -2.317
237 2HA GLY 35 1HA GLY 35 -19.406 0.222 -3.506
238 H LEU 36 H LEU 36 -20.375 -3.075 -2.715
239 HA LEU 36 HA LEU 36 -19.283 -4.343 -5.047
240 1HB LEU 36 2HB LEU 36 -20.424 -5.300 -2.820
241 2HB LEU 36 1HB LEU 36 -21.836 -5.351 -3.875
242 HG LEU 36 HG LEU 36 -20.363 -6.547 -5.578
243 1HD1 LEU 36 1HD1 LEU 36 -18.235 -7.238 -5.033
244 2HD1 LEU 36 2HD1 LEU 36 -18.599 -7.348 -3.310
245 3HD1 LEU 36 3HD1 LEU 36 -18.296 -5.775 -4.048
246 1HD2 LEU 36 1HD2 LEU 36 -20.319 -8.687 -3.974
247 2HD2 LEU 36 2HD2 LEU 36 -21.837 -8.020 -4.576
248 3HD2 LEU 36 3HD2 LEU 36 -21.285 -7.629 -2.947
249 H VAL 37 H VAL 37 -19.779 -3.117 -6.901
250 HA VAL 37 HA VAL 37 -22.682 -2.862 -7.570
251 HB VAL 37 HB VAL 37 -21.901 -1.161 -9.243
252 1HG1 VAL 37 1HG1 VAL 37 -21.369 0.580 -7.546
253 2HG1 VAL 37 2HG1 VAL 37 -21.112 -0.692 -6.351
254 3HG1 VAL 37 3HG1 VAL 37 -22.714 -0.445 -7.045
255 1HG2 VAL 37 1HG2 VAL 37 -19.272 -1.104 -7.795
256 2HG2 VAL 37 2HG2 VAL 37 -19.666 -0.524 -9.413
257 3HG2 VAL 37 3HG2 VAL 37 -19.496 -2.254 -9.114
258 H GLY 38 H GLY 38 -22.685 -2.708 -10.243
259 1HA GLY 38 2HA GLY 38 -22.280 -5.408 -11.110
260 2HA GLY 38 1HA GLY 38 -22.647 -4.047 -12.171
261 H GLY 39 H GLY 39 -20.976 -5.660 -13.354
262 1HA GLY 39 2HA GLY 39 -18.508 -4.167 -13.584
263 2HA GLY 39 1HA GLY 39 -18.244 -5.718 -12.785
264 H ILE 40 H ILE 40 -17.234 -6.896 -14.377
265 HA ILE 40 HA ILE 40 -18.242 -6.828 -17.139
266 HB ILE 40 HB ILE 40 -16.040 -8.536 -15.954
267 1HG1 ILE 40 2HG1 ILE 40 -15.741 -5.936 -17.477
268 2HG1 ILE 40 1HG1 ILE 40 -15.772 -6.003 -15.715
269 1HG2 ILE 40 1HG2 ILE 40 -15.321 -8.822 -18.238
270 2HG2 ILE 40 2HG2 ILE 40 -16.509 -7.654 -18.815
271 3HG2 ILE 40 3HG2 ILE 40 -17.041 -9.211 -18.179
272 1HD1 ILE 40 1HD1 ILE 40 -13.823 -7.492 -17.499
273 2HD1 ILE 40 2HD1 ILE 40 -13.857 -7.559 -15.737
274 3HD1 ILE 40 3HD1 ILE 40 -13.452 -6.050 -16.554
275 H LEU 41 H LEU 41 -18.534 -8.819 -14.317
276 HA LEU 41 HA LEU 41 -20.061 -10.819 -15.934
277 1HB LEU 41 2HB LEU 41 -18.436 -11.249 -13.408
278 2HB LEU 41 1HB LEU 41 -19.455 -12.475 -14.164
279 HG LEU 41 HG LEU 41 -18.002 -11.713 -16.314
280 1HD1 LEU 41 1HD1 LEU 41 -16.723 -10.134 -14.751
281 2HD1 LEU 41 2HD1 LEU 41 -15.743 -11.219 -15.737
282 3HD1 LEU 41 3HD1 LEU 41 -16.021 -11.583 -14.033
283 1HD2 LEU 41 1HD2 LEU 41 -17.083 -13.692 -14.203
284 2HD2 LEU 41 2HD2 LEU 41 -16.637 -13.716 -15.910
285 3HD2 LEU 41 3HD2 LEU 41 -18.307 -14.017 -15.431
286 H GLY 42 H GLY 42 -21.979 -9.499 -15.570
287 1HA GLY 42 2HA GLY 42 -22.885 -9.020 -12.826
288 2HA GLY 42 1HA GLY 42 -23.797 -8.669 -14.295
289 H GLY 43 H GLY 43 -23.843 -11.157 -15.521
290 1HA GLY 43 2HA GLY 43 -24.344 -13.539 -14.742
291 2HA GLY 43 1HA GLY 43 -25.399 -12.782 -13.548
292 H ILE 44 H ILE 44 -25.171 -13.922 -16.772
293 HA ILE 44 HA ILE 44 -27.976 -13.029 -17.261
294 HB ILE 44 HB ILE 44 -25.791 -13.053 -19.364
295 1HG1 ILE 44 2HG1 ILE 44 -27.133 -10.656 -18.082
296 2HG1 ILE 44 1HG1 ILE 44 -25.552 -11.260 -17.586
297 1HG2 ILE 44 1HG2 ILE 44 -27.895 -13.417 -20.408
298 2HG2 ILE 44 2HG2 ILE 44 -27.606 -11.685 -20.570
299 3HG2 ILE 44 3HG2 ILE 44 -28.713 -12.283 -19.334
300 1HD1 ILE 44 1HD1 ILE 44 -25.803 -9.365 -19.458
301 2HD1 ILE 44 2HD1 ILE 44 -25.987 -10.777 -20.499
302 3HD1 ILE 44 3HD1 ILE 44 -24.525 -10.577 -19.534
303 H LEU 45 H LEU 45 -28.950 -15.019 -17.028
304 HA LEU 45 HA LEU 45 -28.039 -17.169 -18.890
305 1HB LEU 45 2HB LEU 45 -28.985 -17.601 -16.039
306 2HB LEU 45 1HB LEU 45 -28.480 -18.855 -17.173
307 HG LEU 45 HG LEU 45 -26.295 -17.289 -17.281
308 1HD1 LEU 45 1HD1 LEU 45 -26.869 -17.101 -14.358
309 2HD1 LEU 45 2HD1 LEU 45 -27.635 -15.911 -15.410
310 3HD1 LEU 45 3HD1 LEU 45 -25.878 -16.058 -15.378
311 1HD2 LEU 45 1HD2 LEU 45 -25.368 -18.794 -15.440
312 2HD2 LEU 45 2HD2 LEU 45 -26.158 -19.631 -16.775
313 3HD2 LEU 45 3HD2 LEU 45 -27.006 -19.415 -15.245
Start of MODEL 16
1 1H LEU 1 1HT LEU 1 1.844 2.804 -14.706
2 2H LEU 1 2HT LEU 1 1.448 1.303 -14.016
3 3H LEU 1 3HT LEU 1 2.959 1.528 -14.759
4 HA LEU 1 HA LEU 1 3.754 2.887 -13.059
5 1HB LEU 1 2HB LEU 1 2.213 3.689 -11.250
6 2HB LEU 1 1HB LEU 1 1.816 4.341 -12.840
7 HG LEU 1 HG LEU 1 0.516 1.776 -12.043
8 1HD1 LEU 1 1HD1 LEU 1 -0.290 4.498 -10.973
9 2HD1 LEU 1 2HD1 LEU 1 0.273 3.130 -10.013
10 3HD1 LEU 1 3HD1 LEU 1 -1.272 3.037 -10.859
11 1HD2 LEU 1 1HD2 LEU 1 -0.201 2.444 -14.142
12 2HD2 LEU 1 2HD2 LEU 1 -0.017 4.159 -13.772
13 3HD2 LEU 1 3HD2 LEU 1 -1.402 3.266 -13.146
14 H LEU 2 H LEU 2 3.956 2.296 -10.625
15 HA LEU 2 HA LEU 2 3.948 -0.639 -10.445
16 1HB LEU 2 2HB LEU 2 5.794 1.042 -9.626
17 2HB LEU 2 1HB LEU 2 4.767 1.184 -8.199
18 HG LEU 2 HG LEU 2 4.781 -1.382 -8.129
19 1HD1 LEU 2 1HD1 LEU 2 5.851 -1.281 -10.564
20 2HD1 LEU 2 2HD1 LEU 2 6.265 -2.577 -9.443
21 3HD1 LEU 2 3HD1 LEU 2 7.354 -1.205 -9.646
22 1HD2 LEU 2 1HD2 LEU 2 7.264 0.287 -7.659
23 2HD2 LEU 2 2HD2 LEU 2 7.129 -1.388 -7.126
24 3HD2 LEU 2 3HD2 LEU 2 6.032 -0.167 -6.482
25 H ALA 3 H ALA 3 1.678 -1.075 -10.282
26 HA ALA 3 HA ALA 3 0.266 0.026 -7.909
27 1HB ALA 3 1HB ALA 3 -0.733 -1.669 -10.221
28 2HB ALA 3 2HB ALA 3 -0.951 0.072 -10.042
29 3HB ALA 3 3HB ALA 3 -1.741 -1.035 -8.920
30 H CYS 4 H CYS 4 2.374 -1.739 -7.333
31 HA CYS 4 HA CYS 4 1.108 -3.643 -5.638
32 1HB CYS 4 2HB CYS 4 0.649 -4.803 -7.792
33 2HB CYS 4 1HB CYS 4 2.376 -4.819 -8.136
34 H LEU 5 H LEU 5 2.593 -2.904 -4.134
35 HA LEU 5 HA LEU 5 5.430 -2.676 -4.672
36 1HB LEU 5 2HB LEU 5 4.083 -2.903 -1.966
37 2HB LEU 5 1HB LEU 5 5.661 -2.198 -2.312
38 HG LEU 5 HG LEU 5 3.032 -1.148 -3.393
39 1HD1 LEU 5 1HD1 LEU 5 4.703 -0.431 -0.997
40 2HD1 LEU 5 2HD1 LEU 5 2.953 -0.608 -1.114
41 3HD1 LEU 5 3HD1 LEU 5 3.743 0.807 -1.807
42 1HD2 LEU 5 1HD2 LEU 5 4.645 0.882 -3.767
43 2HD2 LEU 5 2HD2 LEU 5 4.693 -0.461 -4.908
44 3HD2 LEU 5 3HD2 LEU 5 5.920 -0.330 -3.648
45 H PHE 6 H PHE 6 3.342 -5.199 -3.399
46 HA PHE 6 HA PHE 6 5.628 -7.081 -3.561
47 1HB PHE 6 2HB PHE 6 3.896 -6.705 -1.102
48 2HB PHE 6 1HB PHE 6 4.983 -8.070 -1.350
49 HD1 PHE 6 1HD PHE 6 7.465 -7.561 -1.821
50 HD2 PHE 6 2HD PHE 6 4.713 -4.671 -0.234
51 HE1 PHE 6 1HE PHE 6 9.368 -6.200 -1.001
52 HE2 PHE 6 2HE PHE 6 6.616 -3.309 0.587
53 HZ PHE 6 HZ PHE 6 8.944 -4.073 0.204
54 H GLY 7 H GLY 7 2.379 -7.418 -2.152
55 1HA GLY 7 2HA GLY 7 0.504 -8.615 -2.952
56 2HA GLY 7 1HA GLY 7 1.335 -8.807 -4.497
57 H ASN 8 H ASN 8 2.832 -9.701 -1.449
58 HA ASN 8 HA ASN 8 3.053 -12.481 -2.418
59 1HB ASN 8 2HB ASN 8 4.246 -11.058 -0.024
60 2HB ASN 8 1HB ASN 8 4.554 -12.747 -0.428
61 1HD2 ASN 8 1HD2 ASN 8 6.337 -13.089 -1.759
62 2HD2 ASN 8 2HD2 ASN 8 7.030 -11.923 -2.779
63 H GLY 9 H GLY 9 0.580 -11.017 -0.994
64 1HA GLY 9 2HA GLY 9 -1.267 -12.031 0.063
65 2HA GLY 9 1HA GLY 9 -0.273 -13.444 0.379
66 H ARG 10 H ARG 10 1.679 -11.076 1.469
67 HA ARG 10 HA ARG 10 0.360 -10.974 4.151
68 1HB ARG 10 2HB ARG 10 2.657 -11.121 5.133
69 2HB ARG 10 1HB ARG 10 2.189 -12.577 4.253
70 1HG ARG 10 2HG ARG 10 3.393 -11.738 2.261
71 2HG ARG 10 1HG ARG 10 3.903 -10.324 3.173
72 1HD ARG 10 2HD ARG 10 5.725 -11.556 3.735
73 2HD ARG 10 1HD ARG 10 4.644 -12.398 4.843
74 HE ARG 10 HE ARG 10 4.669 -14.261 3.393
75 1HH1 ARG 10 1HH2 ARG 10 5.991 -11.449 1.783
76 2HH1 ARG 10 2HH2 ARG 10 6.549 -12.365 0.428
77 1HH2 ARG 10 1HH1 ARG 10 5.405 -15.403 1.618
78 2HH2 ARG 10 2HH1 ARG 10 6.222 -14.578 0.333
79 H CYS 11 H CYS 11 0.469 -9.016 5.199
80 HA CYS 11 HA CYS 11 2.208 -6.868 4.144
81 1HB CYS 11 2HB CYS 11 0.222 -5.300 4.034
82 2HB CYS 11 1HB CYS 11 0.282 -6.513 2.766
83 H SER 12 H SER 12 1.975 -4.857 5.477
84 HA SER 12 HA SER 12 1.461 -5.574 8.329
85 1HB SER 12 2HB SER 12 3.785 -4.688 7.376
86 2HB SER 12 1HB SER 12 2.991 -3.125 7.552
87 HG SER 12 HG SER 12 3.984 -4.807 9.445
88 H SER 13 H SER 13 0.697 -3.391 5.745
89 HA SER 13 HA SER 13 -1.557 -2.301 7.307
90 1HB SER 13 2HB SER 13 -0.968 0.021 6.450
91 2HB SER 13 1HB SER 13 0.104 -0.604 7.700
92 HG SER 13 HG SER 13 0.521 -0.360 4.923
93 H ASN 14 H ASN 14 -2.812 -0.757 5.605
94 HA ASN 14 HA ASN 14 -3.638 -2.459 3.455
95 1HB ASN 14 2HB ASN 14 -4.173 0.384 4.240
96 2HB ASN 14 1HB ASN 14 -4.672 -0.163 2.640
97 1HD2 ASN 14 1HD2 ASN 14 -6.946 -0.294 3.019
98 2HD2 ASN 14 2HD2 ASN 14 -7.635 -1.348 4.158
99 H ARG 15 H ARG 15 -1.435 0.321 3.573
100 HA ARG 15 HA ARG 15 -1.062 0.526 0.732
101 1HB ARG 15 2HB ARG 15 0.592 1.439 3.090
102 2HB ARG 15 1HB ARG 15 1.063 1.764 1.420
103 1HG ARG 15 2HG ARG 15 -1.154 2.849 1.047
104 2HG ARG 15 1HG ARG 15 -1.523 2.613 2.755
105 1HD ARG 15 2HD ARG 15 0.798 4.218 1.645
106 2HD ARG 15 1HD ARG 15 -0.659 4.881 2.384
107 HE ARG 15 HE ARG 15 0.505 3.088 4.248
108 1HH1 ARG 15 1HH2 ARG 15 1.222 6.139 2.695
109 2HH1 ARG 15 2HH2 ARG 15 2.179 6.703 4.020
110 1HH2 ARG 15 1HH1 ARG 15 1.750 3.859 5.939
111 2HH2 ARG 15 2HH1 ARG 15 2.476 5.428 5.838
112 H ASP 16 H ASP 16 -0.018 -1.901 2.882
113 HA ASP 16 HA ASP 16 2.445 -2.507 1.389
114 1HB ASP 16 2HB ASP 16 1.099 -3.544 3.832
115 2HB ASP 16 1HB ASP 16 2.168 -4.645 2.965
116 H CYS 17 H CYS 17 -0.579 -2.777 0.363
117 HA CYS 17 HA CYS 17 -0.231 -5.573 -0.647
118 1HB CYS 17 2HB CYS 17 -2.763 -3.944 -0.280
119 2HB CYS 17 1HB CYS 17 -2.691 -5.551 -1.004
120 H CYS 18 H CYS 18 -1.941 -5.530 -2.816
121 HA CYS 18 HA CYS 18 -0.672 -3.458 -4.568
122 1HB CYS 18 2HB CYS 18 -1.641 -6.211 -5.388
123 2HB CYS 18 1HB CYS 18 -0.751 -5.065 -6.388
124 H GLU 19 H GLU 19 -2.116 -3.484 -6.779
125 HA GLU 19 HA GLU 19 -4.519 -2.109 -6.136
126 1HB GLU 19 2HB GLU 19 -3.009 -2.494 -8.418
127 2HB GLU 19 1HB GLU 19 -4.493 -3.366 -8.799
128 1HG GLU 19 2HG GLU 19 -4.456 -0.536 -7.718
129 2HG GLU 19 1HG GLU 19 -4.520 -0.918 -9.439
130 H LEU 20 H LEU 20 -4.109 -5.416 -7.470
131 HA LEU 20 HA LEU 20 -6.828 -6.159 -7.538
132 1HB LEU 20 2HB LEU 20 -4.389 -7.441 -7.957
133 2HB LEU 20 1HB LEU 20 -5.096 -8.337 -6.615
134 HG LEU 20 HG LEU 20 -5.781 -9.323 -8.756
135 1HD1 LEU 20 1HD1 LEU 20 -8.095 -7.833 -7.484
136 2HD1 LEU 20 2HD1 LEU 20 -7.371 -9.298 -6.823
137 3HD1 LEU 20 3HD1 LEU 20 -8.185 -9.345 -8.387
138 1HD2 LEU 20 1HD2 LEU 20 -7.572 -7.561 -9.905
139 2HD2 LEU 20 2HD2 LEU 20 -5.931 -7.853 -10.480
140 3HD2 LEU 20 3HD2 LEU 20 -6.259 -6.490 -9.411
141 H THR 21 H THR 21 -4.728 -5.754 -4.792
142 HA THR 21 HA THR 21 -6.985 -6.533 -2.999
143 HB THR 21 HB THR 21 -5.386 -7.565 -1.455
144 HG1 THR 21 1HG THR 21 -3.444 -7.032 -3.452
145 1HG2 THR 21 1HG2 THR 21 -6.352 -8.839 -3.474
146 2HG2 THR 21 2HG2 THR 21 -4.951 -9.550 -2.673
147 3HG2 THR 21 3HG2 THR 21 -4.749 -8.671 -4.188
148 HA PRO 22 HA PRO 22 -5.437 -2.350 -1.920
149 1HB PRO 22 2HB PRO 22 -7.898 -1.190 -1.703
150 2HB PRO 22 1HB PRO 22 -7.024 -1.347 -3.234
151 1HG PRO 22 2HG PRO 22 -9.403 -2.795 -2.281
152 2HG PRO 22 1HG PRO 22 -8.831 -2.530 -3.932
153 1HD PRO 22 2HD PRO 22 -8.553 -4.903 -2.366
154 2HD PRO 22 1HD PRO 22 -7.880 -4.594 -3.978
155 H VAL 23 H VAL 23 -6.724 -4.823 -0.184
156 HA VAL 23 HA VAL 23 -6.948 -3.095 2.249
157 HB VAL 23 HB VAL 23 -9.151 -3.967 1.581
158 1HG1 VAL 23 1HG1 VAL 23 -9.067 -5.985 0.557
159 2HG1 VAL 23 2HG1 VAL 23 -9.253 -6.593 2.200
160 3HG1 VAL 23 3HG1 VAL 23 -7.652 -6.507 1.468
161 1HG2 VAL 23 1HG2 VAL 23 -9.747 -4.944 3.763
162 2HG2 VAL 23 2HG2 VAL 23 -8.632 -3.592 3.966
163 3HG2 VAL 23 3HG2 VAL 23 -8.041 -5.250 4.092
164 H CYS 24 H CYS 24 -6.014 -3.870 4.131
165 HA CYS 24 HA CYS 24 -4.353 -6.345 3.868
166 1HB CYS 24 2HB CYS 24 -2.957 -4.304 3.799
167 2HB CYS 24 1HB CYS 24 -3.668 -3.758 5.314
168 H LYS 25 H LYS 25 -5.763 -7.687 4.993
169 HA LYS 25 HA LYS 25 -6.360 -6.886 7.820
170 1HB LYS 25 2HB LYS 25 -8.249 -7.285 5.907
171 2HB LYS 25 1HB LYS 25 -8.098 -8.923 6.545
172 1HG LYS 25 2HG LYS 25 -9.722 -7.991 7.953
173 2HG LYS 25 1HG LYS 25 -8.240 -7.751 8.881
174 1HD LYS 25 2HD LYS 25 -9.349 -5.647 8.942
175 2HD LYS 25 1HD LYS 25 -8.082 -5.461 7.728
176 1HE LYS 25 2HE LYS 25 -9.824 -4.667 6.468
177 2HE LYS 25 1HE LYS 25 -10.073 -6.384 6.152
178 1HZ LYS 25 1HZ LYS 25 -12.141 -5.714 6.853
179 2HZ LYS 25 2HZ LYS 25 -11.530 -4.601 7.982
180 3HZ LYS 25 3HZ LYS 25 -11.469 -6.267 8.308
181 H ARG 26 H ARG 26 -5.968 -8.419 9.406
182 HA ARG 26 HA ARG 26 -4.996 -10.299 10.400
183 1HB ARG 26 2HB ARG 26 -6.292 -11.397 7.931
184 2HB ARG 26 1HB ARG 26 -5.223 -12.445 8.863
185 1HG ARG 26 2HG ARG 26 -6.684 -11.382 10.877
186 2HG ARG 26 1HG ARG 26 -7.880 -11.329 9.583
187 1HD ARG 26 2HD ARG 26 -8.005 -13.616 9.416
188 2HD ARG 26 1HD ARG 26 -6.313 -13.846 9.858
189 HE ARG 26 HE ARG 26 -7.455 -12.922 12.193
190 1HH1 ARG 26 1HH2 ARG 26 -8.214 -15.522 9.980
191 2HH1 ARG 26 2HH2 ARG 26 -8.904 -16.509 11.219
192 1HH2 ARG 26 1HH1 ARG 26 -8.358 -14.232 13.764
193 2HH2 ARG 26 2HH1 ARG 26 -8.986 -15.789 13.340
194 H GLY 27 H GLY 27 -3.292 -8.536 8.880
195 1HA GLY 27 2HA GLY 27 -1.089 -8.460 8.080
196 2HA GLY 27 1HA GLY 27 -0.894 -10.060 8.794
197 H SER 28 H SER 28 -3.313 -9.429 6.337
198 HA SER 28 HA SER 28 -1.599 -10.705 4.271
199 1HB SER 28 2HB SER 28 -4.228 -11.723 5.323
200 2HB SER 28 1HB SER 28 -3.757 -12.044 3.655
201 HG SER 28 HG SER 28 -2.388 -13.463 4.365
202 H CYS 29 H CYS 29 -2.659 -10.494 2.064
203 HA CYS 29 HA CYS 29 -4.143 -7.901 1.941
204 1HB CYS 29 2HB CYS 29 -2.423 -9.313 -0.124
205 2HB CYS 29 1HB CYS 29 -3.316 -7.824 -0.427
206 H VAL 30 H VAL 30 -6.104 -7.795 0.842
207 HA VAL 30 HA VAL 30 -6.924 -10.052 -0.843
208 HB VAL 30 HB VAL 30 -9.017 -10.460 0.375
209 1HG1 VAL 30 1HG1 VAL 30 -6.910 -11.737 0.915
210 2HG1 VAL 30 2HG1 VAL 30 -8.081 -11.685 2.233
211 3HG1 VAL 30 3HG1 VAL 30 -6.662 -10.639 2.271
212 1HG2 VAL 30 1HG2 VAL 30 -7.899 -8.333 2.204
213 2HG2 VAL 30 2HG2 VAL 30 -9.086 -9.507 2.776
214 3HG2 VAL 30 3HG2 VAL 30 -9.495 -8.410 1.457
215 H SER 31 H SER 31 -9.311 -9.511 -1.579
216 HA SER 31 HA SER 31 -9.197 -6.735 -2.571
217 1HB SER 31 2HB SER 31 -9.578 -8.692 -4.123
218 2HB SER 31 1HB SER 31 -11.140 -8.924 -3.343
219 HG SER 31 HG SER 31 -10.231 -6.860 -5.002
220 H SER 32 H SER 32 -10.131 -5.293 -1.219
221 HA SER 32 HA SER 32 -12.243 -5.960 0.636
222 1HB SER 32 2HB SER 32 -12.438 -3.295 0.541
223 2HB SER 32 1HB SER 32 -11.114 -4.095 1.379
224 HG SER 32 HG SER 32 -11.160 -2.774 -1.090
225 H GLY 33 H GLY 33 -12.203 -4.301 -2.520
226 1HA GLY 33 2HA GLY 33 -14.662 -5.266 -3.447
227 2HA GLY 33 1HA GLY 33 -15.044 -3.791 -2.561
228 HA PRO 34 HA PRO 34 -12.435 -2.548 -6.421
229 1HB PRO 34 2HB PRO 34 -12.238 -4.426 -8.391
230 2HB PRO 34 1HB PRO 34 -11.081 -4.295 -7.058
231 1HG PRO 34 2HG PRO 34 -13.133 -6.342 -7.554
232 2HG PRO 34 1HG PRO 34 -11.674 -6.426 -6.558
233 1HD PRO 34 2HD PRO 34 -14.375 -6.032 -5.672
234 2HD PRO 34 1HD PRO 34 -12.899 -6.052 -4.682
235 H GLY 35 H GLY 35 -14.526 -1.392 -6.561
236 1HA GLY 35 2HA GLY 35 -15.690 -1.261 -9.084
237 2HA GLY 35 1HA GLY 35 -16.689 -2.415 -8.201
238 H LEU 36 H LEU 36 -16.300 -1.126 -5.611
239 HA LEU 36 HA LEU 36 -18.026 1.274 -6.052
240 1HB LEU 36 2HB LEU 36 -18.020 -0.916 -4.042
241 2HB LEU 36 1HB LEU 36 -18.389 0.696 -3.430
242 HG LEU 36 HG LEU 36 -19.749 -0.424 -5.884
243 1HD1 LEU 36 1HD1 LEU 36 -20.452 -2.002 -4.314
244 2HD1 LEU 36 2HD1 LEU 36 -21.671 -0.743 -4.113
245 3HD1 LEU 36 3HD1 LEU 36 -20.333 -0.865 -2.970
246 1HD2 LEU 36 1HD2 LEU 36 -21.510 1.247 -4.772
247 2HD2 LEU 36 2HD2 LEU 36 -20.224 1.841 -5.821
248 3HD2 LEU 36 3HD2 LEU 36 -20.047 1.936 -4.069
249 H VAL 37 H VAL 37 -15.938 2.460 -6.387
250 HA VAL 37 HA VAL 37 -14.579 3.061 -3.791
251 HB VAL 37 HB VAL 37 -12.681 3.861 -5.225
252 1HG1 VAL 37 1HG1 VAL 37 -12.243 1.420 -6.167
253 2HG1 VAL 37 2HG1 VAL 37 -13.676 1.037 -5.214
254 3HG1 VAL 37 3HG1 VAL 37 -12.254 1.725 -4.430
255 1HG2 VAL 37 1HG2 VAL 37 -14.111 2.455 -7.488
256 2HG2 VAL 37 2HG2 VAL 37 -12.675 3.476 -7.574
257 3HG2 VAL 37 3HG2 VAL 37 -14.250 4.196 -7.238
258 H GLY 38 H GLY 38 -13.596 5.421 -3.938
259 1HA GLY 38 2HA GLY 38 -13.924 7.720 -4.663
260 2HA GLY 38 1HA GLY 38 -15.516 7.265 -5.273
261 H GLY 39 H GLY 39 -17.273 7.402 -3.899
262 1HA GLY 39 2HA GLY 39 -17.056 8.991 -1.523
263 2HA GLY 39 1HA GLY 39 -18.496 8.103 -2.022
264 H ILE 40 H ILE 40 -18.426 7.885 0.501
265 HA ILE 40 HA ILE 40 -16.642 5.693 1.377
266 HB ILE 40 HB ILE 40 -16.909 7.655 2.853
267 1HG1 ILE 40 2HG1 ILE 40 -18.350 5.398 4.225
268 2HG1 ILE 40 1HG1 ILE 40 -16.689 5.172 3.676
269 1HG2 ILE 40 1HG2 ILE 40 -19.140 8.373 2.324
270 2HG2 ILE 40 2HG2 ILE 40 -19.145 7.903 4.025
271 3HG2 ILE 40 3HG2 ILE 40 -19.818 6.818 2.807
272 1HD1 ILE 40 1HD1 ILE 40 -17.641 7.401 5.500
273 2HD1 ILE 40 2HD1 ILE 40 -15.978 7.140 4.970
274 3HD1 ILE 40 3HD1 ILE 40 -16.765 5.962 6.022
275 H LEU 41 H LEU 41 -19.870 6.162 0.279
276 HA LEU 41 HA LEU 41 -21.210 4.040 1.629
277 1HB LEU 41 2HB LEU 41 -21.617 5.438 -1.003
278 2HB LEU 41 1HB LEU 41 -22.602 4.036 -0.586
279 HG LEU 41 HG LEU 41 -22.298 6.155 1.489
280 1HD1 LEU 41 1HD1 LEU 41 -23.789 6.464 -1.111
281 2HD1 LEU 41 2HD1 LEU 41 -22.777 7.640 -0.272
282 3HD1 LEU 41 3HD1 LEU 41 -24.376 7.244 0.357
283 1HD2 LEU 41 1HD2 LEU 41 -23.596 4.166 1.991
284 2HD2 LEU 41 2HD2 LEU 41 -24.536 4.356 0.512
285 3HD2 LEU 41 3HD2 LEU 41 -24.712 5.522 1.824
286 H GLY 42 H GLY 42 -20.677 1.921 1.579
287 1HA GLY 42 2HA GLY 42 -20.628 -0.072 0.002
288 2HA GLY 42 1HA GLY 42 -19.421 0.836 -0.911
289 H GLY 43 H GLY 43 -19.795 0.354 2.605
290 1HA GLY 43 2HA GLY 43 -17.536 -1.450 2.803
291 2HA GLY 43 1HA GLY 43 -17.092 0.194 3.263
292 H ILE 44 H ILE 44 -18.040 -2.650 4.563
293 HA ILE 44 HA ILE 44 -18.915 -3.267 6.649
294 HB ILE 44 HB ILE 44 -18.569 -0.328 7.306
295 1HG1 ILE 44 2HG1 ILE 44 -16.394 -1.521 8.364
296 2HG1 ILE 44 1HG1 ILE 44 -16.636 -2.570 6.967
297 1HG2 ILE 44 1HG2 ILE 44 -19.711 -1.210 9.123
298 2HG2 ILE 44 2HG2 ILE 44 -18.051 -1.581 9.592
299 3HG2 ILE 44 3HG2 ILE 44 -19.064 -2.833 8.873
300 1HD1 ILE 44 1HD1 ILE 44 -16.837 0.358 6.480
301 2HD1 ILE 44 2HD1 ILE 44 -16.151 -0.907 5.461
302 3HD1 ILE 44 3HD1 ILE 44 -15.228 -0.276 6.824
303 H LEU 45 H LEU 45 -21.034 -3.798 6.122
304 HA LEU 45 HA LEU 45 -23.074 -1.742 6.775
305 1HB LEU 45 2HB LEU 45 -22.600 -1.920 4.221
306 2HB LEU 45 1HB LEU 45 -23.435 -3.470 4.332
307 HG LEU 45 HG LEU 45 -25.338 -2.224 5.477
308 1HD1 LEU 45 1HD1 LEU 45 -24.493 -0.176 6.181
309 2HD1 LEU 45 2HD1 LEU 45 -25.256 0.293 4.662
310 3HD1 LEU 45 3HD1 LEU 45 -23.513 0.034 4.731
311 1HD2 LEU 45 1HD2 LEU 45 -24.822 -1.155 2.705
312 2HD2 LEU 45 2HD2 LEU 45 -26.346 -1.689 3.412
313 3HD2 LEU 45 3HD2 LEU 45 -25.118 -2.874 2.967
Start of MODEL 17
1 1H LEU 1 1HT LEU 1 3.695 1.698 -16.056
2 2H LEU 1 2HT LEU 1 2.437 0.593 -15.769
3 3H LEU 1 3HT LEU 1 4.055 0.122 -15.546
4 HA LEU 1 HA LEU 1 4.163 1.980 -13.818
5 1HB LEU 1 2HB LEU 1 1.889 2.851 -14.621
6 2HB LEU 1 1HB LEU 1 1.183 1.466 -13.787
7 HG LEU 1 HG LEU 1 2.357 2.202 -11.695
8 1HD1 LEU 1 1HD1 LEU 1 3.169 4.427 -13.554
9 2HD1 LEU 1 2HD1 LEU 1 4.163 3.517 -12.417
10 3HD1 LEU 1 3HD1 LEU 1 3.022 4.723 -11.822
11 1HD2 LEU 1 1HD2 LEU 1 0.875 4.241 -11.356
12 2HD2 LEU 1 2HD2 LEU 1 0.038 2.800 -11.931
13 3HD2 LEU 1 3HD2 LEU 1 0.426 4.100 -13.056
14 H LEU 2 H LEU 2 4.098 1.179 -11.619
15 HA LEU 2 HA LEU 2 3.729 -1.779 -11.500
16 1HB LEU 2 2HB LEU 2 5.539 0.169 -10.152
17 2HB LEU 2 1HB LEU 2 5.022 -1.229 -9.208
18 HG LEU 2 HG LEU 2 5.940 -1.718 -12.006
19 1HD1 LEU 2 1HD1 LEU 2 7.833 -0.499 -11.536
20 2HD1 LEU 2 2HD1 LEU 2 8.287 -1.996 -10.722
21 3HD1 LEU 2 3HD1 LEU 2 7.626 -0.652 -9.792
22 1HD2 LEU 2 1HD2 LEU 2 5.902 -3.130 -9.350
23 2HD2 LEU 2 2HD2 LEU 2 7.024 -3.662 -10.602
24 3HD2 LEU 2 3HD2 LEU 2 5.288 -3.679 -10.909
25 H ALA 3 H ALA 3 1.558 -2.004 -10.974
26 HA ALA 3 HA ALA 3 0.477 -0.436 -8.695
27 1HB ALA 3 1HB ALA 3 -1.114 -0.442 -10.407
28 2HB ALA 3 2HB ALA 3 -1.652 -1.803 -9.423
29 3HB ALA 3 3HB ALA 3 -0.727 -2.092 -10.895
30 H CYS 4 H CYS 4 2.399 -2.131 -7.808
31 HA CYS 4 HA CYS 4 1.065 -3.750 -5.890
32 1HB CYS 4 2HB CYS 4 0.615 -5.216 -7.841
33 2HB CYS 4 1HB CYS 4 2.341 -5.289 -8.179
34 H LEU 5 H LEU 5 2.527 -2.851 -4.462
35 HA LEU 5 HA LEU 5 5.351 -2.619 -4.921
36 1HB LEU 5 2HB LEU 5 3.923 -2.799 -2.251
37 2HB LEU 5 1HB LEU 5 5.519 -2.108 -2.546
38 HG LEU 5 HG LEU 5 3.029 -1.071 -3.905
39 1HD1 LEU 5 1HD1 LEU 5 3.111 -0.978 -1.286
40 2HD1 LEU 5 2HD1 LEU 5 2.687 0.478 -2.188
41 3HD1 LEU 5 3HD1 LEU 5 4.320 0.279 -1.551
42 1HD2 LEU 5 1HD2 LEU 5 4.381 0.695 -4.615
43 2HD2 LEU 5 2HD2 LEU 5 5.524 -0.647 -4.655
44 3HD2 LEU 5 3HD2 LEU 5 5.530 0.476 -3.295
45 H PHE 6 H PHE 6 3.345 -5.119 -3.451
46 HA PHE 6 HA PHE 6 5.696 -6.942 -3.550
47 1HB PHE 6 2HB PHE 6 3.841 -6.600 -1.177
48 2HB PHE 6 1HB PHE 6 5.033 -7.889 -1.340
49 HD1 PHE 6 1HD PHE 6 4.527 -4.881 0.226
50 HD2 PHE 6 2HD PHE 6 7.430 -6.819 -2.278
51 HE1 PHE 6 1HE PHE 6 6.287 -3.362 1.090
52 HE2 PHE 6 2HE PHE 6 9.189 -5.300 -1.413
53 HZ PHE 6 HZ PHE 6 8.618 -3.571 0.270
54 H GLY 7 H GLY 7 2.400 -7.363 -2.277
55 1HA GLY 7 2HA GLY 7 0.609 -8.647 -3.132
56 2HA GLY 7 1HA GLY 7 1.525 -8.863 -4.624
57 H ASN 8 H ASN 8 2.917 -9.606 -1.489
58 HA ASN 8 HA ASN 8 3.236 -12.413 -2.347
59 1HB ASN 8 2HB ASN 8 4.454 -10.664 -0.246
60 2HB ASN 8 1HB ASN 8 4.491 -12.412 -0.011
61 1HD2 ASN 8 1HD2 ASN 8 6.224 -9.883 -1.397
62 2HD2 ASN 8 2HD2 ASN 8 7.129 -10.773 -2.523
63 H GLY 9 H GLY 9 0.705 -10.923 -1.014
64 1HA GLY 9 2HA GLY 9 -1.162 -11.903 0.028
65 2HA GLY 9 1HA GLY 9 -0.195 -13.335 0.341
66 H ARG 10 H ARG 10 1.758 -10.972 1.485
67 HA ARG 10 HA ARG 10 0.418 -10.938 4.158
68 1HB ARG 10 2HB ARG 10 2.713 -11.052 5.151
69 2HB ARG 10 1HB ARG 10 2.278 -12.502 4.244
70 1HG ARG 10 2HG ARG 10 3.472 -11.604 2.272
71 2HG ARG 10 1HG ARG 10 3.953 -10.199 3.212
72 1HD ARG 10 2HD ARG 10 5.590 -11.337 4.296
73 2HD ARG 10 1HD ARG 10 4.569 -12.755 4.535
74 HE ARG 10 HE ARG 10 5.185 -12.773 1.817
75 1HH1 ARG 10 1HH2 ARG 10 6.998 -12.770 4.807
76 2HH1 ARG 10 2HH2 ARG 10 8.322 -13.646 4.122
77 1HH2 ARG 10 1HH1 ARG 10 6.920 -13.904 0.971
78 2HH2 ARG 10 2HH1 ARG 10 8.281 -14.282 1.974
79 H CYS 11 H CYS 11 0.446 -8.994 5.225
80 HA CYS 11 HA CYS 11 2.168 -6.792 4.259
81 1HB CYS 11 2HB CYS 11 0.170 -5.259 4.096
82 2HB CYS 11 1HB CYS 11 0.262 -6.475 2.830
83 H SER 12 H SER 12 1.904 -4.832 5.640
84 HA SER 12 HA SER 12 1.291 -5.618 8.453
85 1HB SER 12 2HB SER 12 3.155 -3.548 7.283
86 2HB SER 12 1HB SER 12 2.710 -3.554 8.987
87 HG SER 12 HG SER 12 4.613 -4.743 8.638
88 H SER 13 H SER 13 0.546 -3.416 5.885
89 HA SER 13 HA SER 13 -1.764 -2.387 7.398
90 1HB SER 13 2HB SER 13 -1.220 -0.042 6.841
91 2HB SER 13 1HB SER 13 0.038 -0.747 7.852
92 HG SER 13 HG SER 13 0.597 0.461 5.787
93 H ASN 14 H ASN 14 -2.920 -0.749 5.674
94 HA ASN 14 HA ASN 14 -3.656 -2.405 3.446
95 1HB ASN 14 2HB ASN 14 -4.275 0.374 4.348
96 2HB ASN 14 1HB ASN 14 -4.629 -0.039 2.671
97 1HD2 ASN 14 1HD2 ASN 14 -6.874 -0.404 2.670
98 2HD2 ASN 14 2HD2 ASN 14 -7.669 -1.471 3.723
99 H ARG 15 H ARG 15 -1.436 0.339 3.768
100 HA ARG 15 HA ARG 15 -0.956 0.672 0.954
101 1HB ARG 15 2HB ARG 15 0.397 1.556 3.469
102 2HB ARG 15 1HB ARG 15 1.280 1.692 1.947
103 1HG ARG 15 2HG ARG 15 -0.983 2.760 1.092
104 2HG ARG 15 1HG ARG 15 -1.230 3.082 2.809
105 1HD ARG 15 2HD ARG 15 0.565 4.539 2.937
106 2HD ARG 15 1HD ARG 15 1.429 3.757 1.613
107 HE ARG 15 HE ARG 15 -0.927 4.910 0.535
108 1HH1 ARG 15 1HH2 ARG 15 2.070 5.912 2.033
109 2HH1 ARG 15 2HH2 ARG 15 2.100 7.424 1.195
110 1HH2 ARG 15 1HH1 ARG 15 -0.848 6.876 -0.528
111 2HH2 ARG 15 2HH1 ARG 15 0.467 7.966 -0.241
112 H ASP 16 H ASP 16 -0.026 -1.851 3.046
113 HA ASP 16 HA ASP 16 2.456 -2.460 1.573
114 1HB ASP 16 2HB ASP 16 1.085 -3.504 4.000
115 2HB ASP 16 1HB ASP 16 2.150 -4.605 3.130
116 H CYS 17 H CYS 17 -0.526 -2.645 0.497
117 HA CYS 17 HA CYS 17 -0.268 -5.457 -0.496
118 1HB CYS 17 2HB CYS 17 -2.728 -3.734 -0.105
119 2HB CYS 17 1HB CYS 17 -2.735 -5.297 -0.921
120 H CYS 18 H CYS 18 -1.883 -5.424 -2.689
121 HA CYS 18 HA CYS 18 -0.577 -3.375 -4.439
122 1HB CYS 18 2HB CYS 18 -1.581 -6.125 -5.234
123 2HB CYS 18 1HB CYS 18 -0.677 -4.999 -6.248
124 H GLU 19 H GLU 19 -1.989 -3.324 -6.643
125 HA GLU 19 HA GLU 19 -4.404 -1.964 -6.005
126 1HB GLU 19 2HB GLU 19 -3.025 -2.879 -8.459
127 2HB GLU 19 1HB GLU 19 -4.761 -2.650 -8.618
128 1HG GLU 19 2HG GLU 19 -4.149 -0.402 -7.258
129 2HG GLU 19 1HG GLU 19 -2.632 -0.649 -8.122
130 H LEU 20 H LEU 20 -3.927 -5.233 -7.400
131 HA LEU 20 HA LEU 20 -6.639 -5.987 -7.597
132 1HB LEU 20 2HB LEU 20 -4.067 -7.467 -7.255
133 2HB LEU 20 1HB LEU 20 -5.569 -8.361 -7.013
134 HG LEU 20 HG LEU 20 -6.245 -7.125 -9.276
135 1HD1 LEU 20 1HD1 LEU 20 -4.049 -7.281 -10.707
136 2HD1 LEU 20 2HD1 LEU 20 -3.243 -7.049 -9.155
137 3HD1 LEU 20 3HD1 LEU 20 -4.361 -5.827 -9.759
138 1HD2 LEU 20 1HD2 LEU 20 -4.328 -9.449 -9.453
139 2HD2 LEU 20 2HD2 LEU 20 -5.792 -9.157 -10.393
140 3HD2 LEU 20 3HD2 LEU 20 -5.912 -9.635 -8.700
141 H THR 21 H THR 21 -4.643 -5.640 -4.763
142 HA THR 21 HA THR 21 -6.954 -6.526 -3.082
143 HB THR 21 HB THR 21 -5.355 -7.497 -1.478
144 HG1 THR 21 1HG THR 21 -3.413 -6.857 -3.445
145 1HG2 THR 21 1HG2 THR 21 -4.692 -9.442 -2.769
146 2HG2 THR 21 2HG2 THR 21 -4.801 -8.527 -4.272
147 3HG2 THR 21 3HG2 THR 21 -6.262 -8.891 -3.353
148 HA PRO 22 HA PRO 22 -5.656 -2.281 -1.892
149 1HB PRO 22 2HB PRO 22 -8.183 -1.284 -1.662
150 2HB PRO 22 1HB PRO 22 -7.294 -1.345 -3.191
151 1HG PRO 22 2HG PRO 22 -9.551 -3.012 -2.261
152 2HG PRO 22 1HG PRO 22 -9.063 -2.588 -3.907
153 1HD PRO 22 2HD PRO 22 -8.574 -5.047 -2.598
154 2HD PRO 22 1HD PRO 22 -7.852 -4.504 -4.125
155 H VAL 23 H VAL 23 -6.846 -4.864 -0.219
156 HA VAL 23 HA VAL 23 -7.150 -3.200 2.249
157 HB VAL 23 HB VAL 23 -9.316 -4.161 1.551
158 1HG1 VAL 23 1HG1 VAL 23 -7.703 -6.640 1.437
159 2HG1 VAL 23 2HG1 VAL 23 -9.119 -6.167 0.504
160 3HG1 VAL 23 3HG1 VAL 23 -9.312 -6.792 2.139
161 1HG2 VAL 23 1HG2 VAL 23 -9.896 -5.126 3.716
162 2HG2 VAL 23 2HG2 VAL 23 -8.759 -3.800 3.954
163 3HG2 VAL 23 3HG2 VAL 23 -8.197 -5.469 4.046
164 H CYS 24 H CYS 24 -6.178 -3.963 4.118
165 HA CYS 24 HA CYS 24 -4.434 -6.380 3.831
166 1HB CYS 24 2HB CYS 24 -3.075 -4.326 3.746
167 2HB CYS 24 1HB CYS 24 -3.810 -3.759 5.241
168 H LYS 25 H LYS 25 -5.812 -7.755 4.960
169 HA LYS 25 HA LYS 25 -6.342 -7.007 7.815
170 1HB LYS 25 2HB LYS 25 -8.120 -8.576 5.924
171 2HB LYS 25 1HB LYS 25 -8.425 -8.376 7.649
172 1HG LYS 25 2HG LYS 25 -7.910 -5.883 6.116
173 2HG LYS 25 1HG LYS 25 -9.434 -6.703 5.777
174 1HD LYS 25 2HD LYS 25 -10.157 -6.540 8.026
175 2HD LYS 25 1HD LYS 25 -8.533 -6.173 8.609
176 1HE LYS 25 2HE LYS 25 -8.727 -3.961 8.125
177 2HE LYS 25 1HE LYS 25 -9.556 -4.270 6.599
178 1HZ LYS 25 1HZ LYS 25 -11.595 -4.427 7.636
179 2HZ LYS 25 2HZ LYS 25 -10.847 -3.180 8.516
180 3HZ LYS 25 3HZ LYS 25 -10.927 -4.750 9.161
181 H ARG 26 H ARG 26 -6.094 -8.676 9.341
182 HA ARG 26 HA ARG 26 -5.167 -10.629 10.240
183 1HB ARG 26 2HB ARG 26 -6.380 -11.523 7.659
184 2HB ARG 26 1HB ARG 26 -5.284 -12.636 8.479
185 1HG ARG 26 2HG ARG 26 -6.755 -11.876 10.595
186 2HG ARG 26 1HG ARG 26 -7.960 -11.641 9.328
187 1HD ARG 26 2HD ARG 26 -6.350 -14.189 9.566
188 2HD ARG 26 1HD ARG 26 -7.889 -13.966 10.399
189 HE ARG 26 HE ARG 26 -7.558 -14.495 7.576
190 1HH1 ARG 26 1HH2 ARG 26 -9.531 -12.783 9.900
191 2HH1 ARG 26 2HH2 ARG 26 -10.926 -12.802 8.880
192 1HH2 ARG 26 1HH1 ARG 26 -9.388 -14.498 6.288
193 2HH2 ARG 26 2HH1 ARG 26 -10.849 -13.762 6.857
194 H GLY 27 H GLY 27 -3.452 -8.725 8.830
195 1HA GLY 27 2HA GLY 27 -1.213 -8.570 8.147
196 2HA GLY 27 1HA GLY 27 -1.010 -10.195 8.802
197 H SER 28 H SER 28 -3.336 -9.492 6.271
198 HA SER 28 HA SER 28 -1.517 -10.611 4.214
199 1HB SER 28 2HB SER 28 -4.007 -11.883 5.258
200 2HB SER 28 1HB SER 28 -3.706 -11.981 3.526
201 HG SER 28 HG SER 28 -2.757 -13.725 4.659
202 H CYS 29 H CYS 29 -2.581 -10.419 1.987
203 HA CYS 29 HA CYS 29 -4.164 -7.881 1.920
204 1HB CYS 29 2HB CYS 29 -2.389 -9.167 -0.182
205 2HB CYS 29 1HB CYS 29 -3.323 -7.692 -0.429
206 H VAL 30 H VAL 30 -6.128 -7.833 0.849
207 HA VAL 30 HA VAL 30 -6.868 -10.050 -0.927
208 HB VAL 30 HB VAL 30 -8.926 -10.601 0.290
209 1HG1 VAL 30 1HG1 VAL 30 -6.530 -10.739 2.141
210 2HG1 VAL 30 2HG1 VAL 30 -6.790 -11.821 0.772
211 3HG1 VAL 30 3HG1 VAL 30 -7.919 -11.825 2.127
212 1HG2 VAL 30 1HG2 VAL 30 -9.512 -8.637 1.457
213 2HG2 VAL 30 2HG2 VAL 30 -7.907 -8.474 2.171
214 3HG2 VAL 30 3HG2 VAL 30 -9.000 -9.737 2.736
215 H SER 31 H SER 31 -9.451 -9.536 -1.366
216 HA SER 31 HA SER 31 -9.371 -6.854 -2.550
217 1HB SER 31 2HB SER 31 -11.026 -9.303 -2.890
218 2HB SER 31 1HB SER 31 -11.805 -7.764 -3.250
219 HG SER 31 HG SER 31 -9.881 -9.122 -4.620
220 H SER 32 H SER 32 -10.200 -5.121 -1.544
221 HA SER 32 HA SER 32 -11.509 -5.234 0.992
222 1HB SER 32 2HB SER 32 -11.804 -2.865 0.768
223 2HB SER 32 1HB SER 32 -10.278 -3.248 -0.025
224 HG SER 32 HG SER 32 -11.529 -3.358 -2.005
225 H GLY 33 H GLY 33 -12.742 -5.243 -2.299
226 1HA GLY 33 2HA GLY 33 -15.489 -5.629 -1.185
227 2HA GLY 33 1HA GLY 33 -15.226 -4.572 -2.573
228 HA PRO 34 HA PRO 34 -14.424 -9.016 -4.185
229 1HB PRO 34 2HB PRO 34 -14.505 -11.079 -2.400
230 2HB PRO 34 1HB PRO 34 -13.051 -10.116 -2.701
231 1HG PRO 34 2HG PRO 34 -14.779 -10.177 -0.335
232 2HG PRO 34 1HG PRO 34 -13.127 -9.570 -0.506
233 1HD PRO 34 2HD PRO 34 -15.584 -8.048 -0.446
234 2HD PRO 34 1HD PRO 34 -13.918 -7.440 -0.567
235 H GLY 35 H GLY 35 -16.914 -7.884 -4.136
236 1HA GLY 35 2HA GLY 35 -18.845 -9.305 -5.089
237 2HA GLY 35 1HA GLY 35 -18.802 -10.120 -3.524
238 H LEU 36 H LEU 36 -18.608 -6.670 -4.453
239 HA LEU 36 HA LEU 36 -21.211 -6.073 -3.290
240 1HB LEU 36 2HB LEU 36 -19.528 -6.360 -1.324
241 2HB LEU 36 1HB LEU 36 -18.866 -4.819 -1.870
242 HG LEU 36 HG LEU 36 -21.283 -3.944 -1.791
243 1HD1 LEU 36 1HD1 LEU 36 -22.926 -5.172 -0.701
244 2HD1 LEU 36 2HD1 LEU 36 -21.754 -6.134 0.201
245 3HD1 LEU 36 3HD1 LEU 36 -22.039 -6.466 -1.506
246 1HD2 LEU 36 1HD2 LEU 36 -20.408 -4.731 0.960
247 2HD2 LEU 36 2HD2 LEU 36 -20.901 -3.150 0.350
248 3HD2 LEU 36 3HD2 LEU 36 -19.293 -3.776 -0.018
249 H VAL 37 H VAL 37 -21.310 -5.207 -5.497
250 HA VAL 37 HA VAL 37 -20.080 -2.492 -5.664
251 HB VAL 37 HB VAL 37 -20.385 -4.408 -7.994
252 1HG1 VAL 37 1HG1 VAL 37 -19.442 -2.741 -9.319
253 2HG1 VAL 37 2HG1 VAL 37 -18.675 -1.942 -7.947
254 3HG1 VAL 37 3HG1 VAL 37 -20.412 -1.776 -8.207
255 1HG2 VAL 37 1HG2 VAL 37 -18.645 -5.214 -6.477
256 2HG2 VAL 37 2HG2 VAL 37 -17.937 -3.602 -6.391
257 3HG2 VAL 37 3HG2 VAL 37 -17.889 -4.507 -7.905
258 H GLY 38 H GLY 38 -22.363 -4.513 -7.547
259 1HA GLY 38 2HA GLY 38 -24.643 -2.857 -6.866
260 2HA GLY 38 1HA GLY 38 -24.039 -2.493 -8.484
261 H GLY 39 H GLY 39 -26.563 -3.874 -7.501
262 1HA GLY 39 2HA GLY 39 -27.587 -5.403 -9.289
263 2HA GLY 39 1HA GLY 39 -26.217 -6.464 -8.958
264 H ILE 40 H ILE 40 -28.519 -4.654 -6.895
265 HA ILE 40 HA ILE 40 -28.636 -6.902 -5.026
266 HB ILE 40 HB ILE 40 -28.662 -4.572 -4.202
267 1HG1 ILE 40 2HG1 ILE 40 -30.780 -4.786 -2.787
268 2HG1 ILE 40 1HG1 ILE 40 -31.132 -6.250 -3.706
269 1HG2 ILE 40 1HG2 ILE 40 -31.268 -4.450 -5.740
270 2HG2 ILE 40 2HG2 ILE 40 -29.834 -3.454 -5.988
271 3HG2 ILE 40 3HG2 ILE 40 -30.798 -3.263 -4.523
272 1HD1 ILE 40 1HD1 ILE 40 -28.673 -5.718 -2.013
273 2HD1 ILE 40 2HD1 ILE 40 -28.873 -7.129 -3.052
274 3HD1 ILE 40 3HD1 ILE 40 -29.953 -6.884 -1.680
275 H LEU 41 H LEU 41 -30.539 -5.654 -7.649
276 HA LEU 41 HA LEU 41 -32.798 -7.462 -6.975
277 1HB LEU 41 2HB LEU 41 -33.976 -6.303 -8.826
278 2HB LEU 41 1HB LEU 41 -33.395 -5.171 -7.608
279 HG LEU 41 HG LEU 41 -31.277 -5.496 -9.487
280 1HD1 LEU 41 1HD1 LEU 41 -33.691 -4.558 -10.987
281 2HD1 LEU 41 2HD1 LEU 41 -33.400 -6.293 -10.868
282 3HD1 LEU 41 3HD1 LEU 41 -32.187 -5.244 -11.601
283 1HD2 LEU 41 1HD2 LEU 41 -33.106 -3.131 -9.595
284 2HD2 LEU 41 2HD2 LEU 41 -31.345 -3.183 -9.518
285 3HD2 LEU 41 3HD2 LEU 41 -32.300 -3.478 -8.065
286 H GLY 42 H GLY 42 -33.775 -8.398 -9.213
287 1HA GLY 42 2HA GLY 42 -31.687 -10.193 -10.231
288 2HA GLY 42 1HA GLY 42 -33.408 -10.282 -10.612
289 H GLY 43 H GLY 43 -34.121 -8.095 -11.827
290 1HA GLY 43 2HA GLY 43 -33.444 -6.426 -13.500
291 2HA GLY 43 1HA GLY 43 -32.062 -7.450 -13.891
292 H ILE 44 H ILE 44 -35.463 -6.927 -14.408
293 HA ILE 44 HA ILE 44 -35.400 -9.012 -16.551
294 HB ILE 44 HB ILE 44 -37.791 -8.315 -14.823
295 1HG1 ILE 44 2HG1 ILE 44 -36.061 -9.486 -13.507
296 2HG1 ILE 44 1HG1 ILE 44 -37.448 -10.536 -13.788
297 1HG2 ILE 44 1HG2 ILE 44 -39.023 -9.687 -16.151
298 2HG2 ILE 44 2HG2 ILE 44 -37.704 -10.840 -16.353
299 3HG2 ILE 44 3HG2 ILE 44 -37.761 -9.383 -17.344
300 1HD1 ILE 44 1HD1 ILE 44 -35.831 -11.042 -15.987
301 2HD1 ILE 44 2HD1 ILE 44 -35.948 -12.054 -14.546
302 3HD1 ILE 44 3HD1 ILE 44 -34.671 -10.845 -14.673
303 H LEU 45 H LEU 45 -37.337 -6.230 -15.384
304 HA LEU 45 HA LEU 45 -37.780 -5.456 -18.230
305 1HB LEU 45 2HB LEU 45 -39.189 -4.616 -15.678
306 2HB LEU 45 1HB LEU 45 -39.564 -3.975 -17.278
307 HG LEU 45 HG LEU 45 -39.701 -6.595 -17.850
308 1HD1 LEU 45 1HD1 LEU 45 -39.382 -7.711 -15.870
309 2HD1 LEU 45 2HD1 LEU 45 -41.108 -7.392 -15.691
310 3HD1 LEU 45 3HD1 LEU 45 -39.931 -6.349 -14.893
311 1HD2 LEU 45 1HD2 LEU 45 -41.552 -5.229 -18.362
312 2HD2 LEU 45 2HD2 LEU 45 -41.760 -4.726 -16.684
313 3HD2 LEU 45 3HD2 LEU 45 -42.208 -6.359 -17.179
Start of MODEL 18
1 1H LEU 1 1HT LEU 1 1.459 -3.128 -14.833
2 2H LEU 1 2HT LEU 1 1.010 -2.250 -16.218
3 3H LEU 1 3HT LEU 1 0.065 -2.162 -14.809
4 HA LEU 1 HA LEU 1 2.665 -0.920 -15.389
5 1HB LEU 1 2HB LEU 1 -0.055 -0.119 -14.435
6 2HB LEU 1 1HB LEU 1 1.326 0.830 -13.884
7 HG LEU 1 HG LEU 1 1.996 0.760 -16.439
8 1HD1 LEU 1 1HD1 LEU 1 -0.234 -0.745 -16.649
9 2HD1 LEU 1 2HD1 LEU 1 0.341 0.290 -17.957
10 3HD1 LEU 1 3HD1 LEU 1 -0.944 0.852 -16.886
11 1HD2 LEU 1 1HD2 LEU 1 0.084 2.498 -14.943
12 2HD2 LEU 1 2HD2 LEU 1 0.221 2.757 -16.682
13 3HD2 LEU 1 3HD2 LEU 1 1.647 2.902 -15.654
14 H LEU 2 H LEU 2 3.182 0.438 -13.157
15 HA LEU 2 HA LEU 2 3.999 -1.651 -11.271
16 1HB LEU 2 2HB LEU 2 5.285 0.532 -12.034
17 2HB LEU 2 1HB LEU 2 4.366 1.276 -10.725
18 HG LEU 2 HG LEU 2 5.701 -1.319 -10.127
19 1HD1 LEU 2 1HD1 LEU 2 7.293 0.286 -11.465
20 2HD1 LEU 2 2HD1 LEU 2 7.872 -0.465 -9.979
21 3HD1 LEU 2 3HD1 LEU 2 7.318 1.210 -9.963
22 1HD2 LEU 2 1HD2 LEU 2 4.480 -0.324 -8.344
23 2HD2 LEU 2 2HD2 LEU 2 5.115 1.282 -8.701
24 3HD2 LEU 2 3HD2 LEU 2 6.167 0.053 -7.998
25 H ALA 3 H ALA 3 1.714 -2.199 -10.697
26 HA ALA 3 HA ALA 3 0.677 -0.343 -8.590
27 1HB ALA 3 1HB ALA 3 -1.121 -2.246 -10.070
28 2HB ALA 3 2HB ALA 3 -0.694 -0.701 -10.807
29 3HB ALA 3 3HB ALA 3 -1.531 -0.737 -9.255
30 H CYS 4 H CYS 4 2.498 -2.074 -7.723
31 HA CYS 4 HA CYS 4 1.133 -3.706 -5.832
32 1HB CYS 4 2HB CYS 4 0.684 -5.132 -7.814
33 2HB CYS 4 1HB CYS 4 2.411 -5.219 -8.135
34 H LEU 5 H LEU 5 2.601 -2.813 -4.394
35 HA LEU 5 HA LEU 5 5.426 -2.615 -4.821
36 1HB LEU 5 2HB LEU 5 4.003 -2.843 -2.154
37 2HB LEU 5 1HB LEU 5 5.588 -2.131 -2.447
38 HG LEU 5 HG LEU 5 2.977 -1.095 -3.589
39 1HD1 LEU 5 1HD1 LEU 5 3.729 0.888 -2.036
40 2HD1 LEU 5 2HD1 LEU 5 4.623 -0.374 -1.187
41 3HD1 LEU 5 3HD1 LEU 5 2.869 -0.487 -1.342
42 1HD2 LEU 5 1HD2 LEU 5 4.421 0.875 -4.193
43 2HD2 LEU 5 2HD2 LEU 5 4.844 -0.598 -5.066
44 3HD2 LEU 5 3HD2 LEU 5 5.829 -0.068 -3.702
45 H PHE 6 H PHE 6 3.391 -5.129 -3.413
46 HA PHE 6 HA PHE 6 5.719 -6.978 -3.552
47 1HB PHE 6 2HB PHE 6 3.902 -6.589 -1.159
48 2HB PHE 6 1HB PHE 6 4.971 -7.978 -1.355
49 HD1 PHE 6 1HD PHE 6 7.335 -7.796 -1.010
50 HD2 PHE 6 2HD PHE 6 4.866 -4.282 -1.012
51 HE1 PHE 6 1HE PHE 6 9.232 -6.464 -0.130
52 HE2 PHE 6 2HE PHE 6 6.763 -2.949 -0.132
53 HZ PHE 6 HZ PHE 6 8.947 -4.039 0.309
54 H GLY 7 H GLY 7 2.449 -7.419 -2.234
55 1HA GLY 7 2HA GLY 7 0.612 -8.609 -3.147
56 2HA GLY 7 1HA GLY 7 1.538 -8.841 -4.629
57 H ASN 8 H ASN 8 2.906 -9.658 -1.508
58 HA ASN 8 HA ASN 8 3.101 -12.473 -2.383
59 1HB ASN 8 2HB ASN 8 4.959 -10.983 -1.240
60 2HB ASN 8 1HB ASN 8 4.158 -11.495 0.245
61 1HD2 ASN 8 1HD2 ASN 8 6.474 -12.438 -2.077
62 2HD2 ASN 8 2HD2 ASN 8 6.577 -14.080 -1.657
63 H GLY 9 H GLY 9 0.633 -10.908 -1.050
64 1HA GLY 9 2HA GLY 9 -1.252 -11.788 0.045
65 2HA GLY 9 1HA GLY 9 -0.354 -13.274 0.316
66 H ARG 10 H ARG 10 1.699 -10.936 1.428
67 HA ARG 10 HA ARG 10 0.478 -10.961 4.156
68 1HB ARG 10 2HB ARG 10 2.820 -11.087 5.033
69 2HB ARG 10 1HB ARG 10 2.343 -12.522 4.124
70 1HG ARG 10 2HG ARG 10 3.427 -11.555 2.106
71 2HG ARG 10 1HG ARG 10 3.984 -10.200 3.077
72 1HD ARG 10 2HD ARG 10 4.710 -13.118 3.444
73 2HD ARG 10 1HD ARG 10 5.787 -11.816 2.940
74 HE ARG 10 HE ARG 10 4.946 -12.390 5.673
75 1HH1 ARG 10 1HH2 ARG 10 6.082 -9.923 3.469
76 2HH1 ARG 10 2HH2 ARG 10 6.741 -8.953 4.739
77 1HH2 ARG 10 1HH1 ARG 10 5.807 -11.100 7.283
78 2HH2 ARG 10 2HH1 ARG 10 6.588 -9.609 6.874
79 H CYS 11 H CYS 11 0.460 -9.007 5.187
80 HA CYS 11 HA CYS 11 2.198 -6.809 4.243
81 1HB CYS 11 2HB CYS 11 0.225 -5.273 4.009
82 2HB CYS 11 1HB CYS 11 0.295 -6.533 2.783
83 H SER 12 H SER 12 1.863 -4.822 5.604
84 HA SER 12 HA SER 12 1.167 -5.593 8.410
85 1HB SER 12 2HB SER 12 3.074 -3.428 7.478
86 2HB SER 12 1HB SER 12 2.782 -3.915 9.146
87 HG SER 12 HG SER 12 4.571 -4.887 7.549
88 H SER 13 H SER 13 0.256 -3.662 5.776
89 HA SER 13 HA SER 13 -1.850 -2.359 7.284
90 1HB SER 13 2HB SER 13 -1.000 -0.052 6.316
91 2HB SER 13 1HB SER 13 -0.365 -0.644 7.848
92 HG SER 13 HG SER 13 1.124 0.064 6.008
93 H ASN 14 H ASN 14 -3.031 -0.796 5.610
94 HA ASN 14 HA ASN 14 -3.723 -2.369 3.327
95 1HB ASN 14 2HB ASN 14 -4.324 0.402 4.267
96 2HB ASN 14 1HB ASN 14 -4.661 0.017 2.579
97 1HD2 ASN 14 1HD2 ASN 14 -6.891 -0.380 2.503
98 2HD2 ASN 14 2HD2 ASN 14 -7.719 -1.430 3.548
99 H ARG 15 H ARG 15 -1.490 0.353 3.727
100 HA ARG 15 HA ARG 15 -0.953 0.715 0.925
101 1HB ARG 15 2HB ARG 15 0.329 1.580 3.480
102 2HB ARG 15 1HB ARG 15 1.276 1.701 1.997
103 1HG ARG 15 2HG ARG 15 -0.316 3.146 0.974
104 2HG ARG 15 1HG ARG 15 -1.536 2.790 2.198
105 1HD ARG 15 2HD ARG 15 -0.660 4.931 2.782
106 2HD ARG 15 1HD ARG 15 0.090 3.794 3.901
107 HE ARG 15 HE ARG 15 1.733 4.130 1.559
108 1HH1 ARG 15 1HH2 ARG 15 0.777 5.705 4.532
109 2HH1 ARG 15 2HH2 ARG 15 2.246 6.609 4.642
110 1HH2 ARG 15 1HH1 ARG 15 3.618 5.320 1.742
111 2HH2 ARG 15 2HH1 ARG 15 3.838 6.396 3.080
112 H ASP 16 H ASP 16 -0.063 -1.820 3.023
113 HA ASP 16 HA ASP 16 2.434 -2.429 1.569
114 1HB ASP 16 2HB ASP 16 1.055 -3.465 3.996
115 2HB ASP 16 1HB ASP 16 2.128 -4.566 3.135
116 H CYS 17 H CYS 17 -0.528 -2.609 0.472
117 HA CYS 17 HA CYS 17 -0.276 -5.428 -0.503
118 1HB CYS 17 2HB CYS 17 -2.734 -3.703 -0.109
119 2HB CYS 17 1HB CYS 17 -2.744 -5.260 -0.938
120 H CYS 18 H CYS 18 -1.866 -5.415 -2.696
121 HA CYS 18 HA CYS 18 -0.589 -3.351 -4.449
122 1HB CYS 18 2HB CYS 18 -1.561 -6.111 -5.250
123 2HB CYS 18 1HB CYS 18 -0.653 -4.979 -6.252
124 H GLU 19 H GLU 19 -2.011 -3.339 -6.657
125 HA GLU 19 HA GLU 19 -4.453 -2.020 -5.996
126 1HB GLU 19 2HB GLU 19 -3.001 -1.891 -8.157
127 2HB GLU 19 1HB GLU 19 -3.964 -3.270 -8.692
128 1HG GLU 19 2HG GLU 19 -5.300 -0.803 -7.593
129 2HG GLU 19 1HG GLU 19 -4.805 -0.878 -9.284
130 H LEU 20 H LEU 20 -3.884 -5.287 -7.347
131 HA LEU 20 HA LEU 20 -6.586 -6.092 -7.577
132 1HB LEU 20 2HB LEU 20 -4.170 -7.289 -8.039
133 2HB LEU 20 1HB LEU 20 -4.714 -8.175 -6.617
134 HG LEU 20 HG LEU 20 -5.472 -9.297 -8.667
135 1HD1 LEU 20 1HD1 LEU 20 -7.864 -7.947 -7.401
136 2HD1 LEU 20 2HD1 LEU 20 -6.924 -9.186 -6.568
137 3HD1 LEU 20 3HD1 LEU 20 -7.766 -9.577 -8.068
138 1HD2 LEU 20 1HD2 LEU 20 -7.309 -7.031 -9.324
139 2HD2 LEU 20 2HD2 LEU 20 -6.599 -8.245 -10.389
140 3HD2 LEU 20 3HD2 LEU 20 -5.622 -6.892 -9.819
141 H THR 21 H THR 21 -4.630 -5.665 -4.731
142 HA THR 21 HA THR 21 -6.924 -6.615 -3.064
143 HB THR 21 HB THR 21 -5.274 -7.484 -1.424
144 HG1 THR 21 1HG THR 21 -3.438 -6.770 -3.464
145 1HG2 THR 21 1HG2 THR 21 -4.805 -9.501 -2.561
146 2HG2 THR 21 2HG2 THR 21 -4.618 -8.682 -4.112
147 3HG2 THR 21 3HG2 THR 21 -6.219 -8.859 -3.396
148 HA PRO 22 HA PRO 22 -5.784 -2.302 -1.947
149 1HB PRO 22 2HB PRO 22 -8.351 -1.419 -1.678
150 2HB PRO 22 1HB PRO 22 -7.485 -1.455 -3.222
151 1HG PRO 22 2HG PRO 22 -9.627 -3.240 -2.219
152 2HG PRO 22 1HG PRO 22 -9.230 -2.772 -3.879
153 1HD PRO 22 2HD PRO 22 -8.566 -5.217 -2.666
154 2HD PRO 22 1HD PRO 22 -7.865 -4.577 -4.164
155 H VAL 23 H VAL 23 -6.897 -4.907 -0.216
156 HA VAL 23 HA VAL 23 -7.150 -3.212 2.239
157 HB VAL 23 HB VAL 23 -9.328 -4.195 1.611
158 1HG1 VAL 23 1HG1 VAL 23 -9.334 -6.803 2.207
159 2HG1 VAL 23 2HG1 VAL 23 -7.706 -6.683 1.544
160 3HG1 VAL 23 3HG1 VAL 23 -9.091 -6.210 0.569
161 1HG2 VAL 23 1HG2 VAL 23 -8.862 -3.781 3.968
162 2HG2 VAL 23 2HG2 VAL 23 -8.047 -5.339 4.106
163 3HG2 VAL 23 3HG2 VAL 23 -9.785 -5.276 3.812
164 H CYS 24 H CYS 24 -6.158 -3.963 4.107
165 HA CYS 24 HA CYS 24 -4.395 -6.364 3.810
166 1HB CYS 24 2HB CYS 24 -3.051 -4.306 3.682
167 2HB CYS 24 1HB CYS 24 -3.770 -3.720 5.178
168 H LYS 25 H LYS 25 -5.790 -7.717 4.962
169 HA LYS 25 HA LYS 25 -6.221 -6.971 7.833
170 1HB LYS 25 2HB LYS 25 -8.349 -8.289 7.719
171 2HB LYS 25 1HB LYS 25 -8.367 -6.854 6.694
172 1HG LYS 25 2HG LYS 25 -8.136 -8.096 4.722
173 2HG LYS 25 1HG LYS 25 -7.464 -9.492 5.566
174 1HD LYS 25 2HD LYS 25 -9.629 -10.237 5.173
175 2HD LYS 25 1HD LYS 25 -9.822 -9.503 6.765
176 1HE LYS 25 2HE LYS 25 -10.707 -7.476 5.807
177 2HE LYS 25 1HE LYS 25 -10.311 -8.013 4.174
178 1HZ LYS 25 1HZ LYS 25 -12.698 -8.296 4.960
179 2HZ LYS 25 2HZ LYS 25 -12.116 -9.573 5.918
180 3HZ LYS 25 3HZ LYS 25 -11.959 -9.636 4.228
181 H ARG 26 H ARG 26 -6.090 -8.716 9.329
182 HA ARG 26 HA ARG 26 -5.206 -10.710 10.177
183 1HB ARG 26 2HB ARG 26 -6.011 -11.695 7.424
184 2HB ARG 26 1HB ARG 26 -5.472 -12.738 8.738
185 1HG ARG 26 2HG ARG 26 -7.697 -10.795 9.247
186 2HG ARG 26 1HG ARG 26 -8.047 -12.292 8.384
187 1HD ARG 26 2HD ARG 26 -6.837 -13.502 10.287
188 2HD ARG 26 1HD ARG 26 -6.910 -11.976 11.167
189 HE ARG 26 HE ARG 26 -9.526 -12.410 10.344
190 1HH1 ARG 26 1HH2 ARG 26 -7.161 -14.230 12.170
191 2HH1 ARG 26 2HH2 ARG 26 -8.364 -15.043 13.109
192 1HH2 ARG 26 1HH1 ARG 26 -11.048 -13.485 11.582
193 2HH2 ARG 26 2HH1 ARG 26 -10.542 -14.628 12.781
194 H GLY 27 H GLY 27 -3.472 -8.777 8.799
195 1HA GLY 27 2HA GLY 27 -1.216 -8.615 8.179
196 2HA GLY 27 1HA GLY 27 -1.030 -10.253 8.807
197 H SER 28 H SER 28 -3.298 -9.481 6.238
198 HA SER 28 HA SER 28 -1.440 -10.527 4.188
199 1HB SER 28 2HB SER 28 -3.907 -11.907 5.165
200 2HB SER 28 1HB SER 28 -3.531 -11.990 3.447
201 HG SER 28 HG SER 28 -1.517 -12.848 3.980
202 H CYS 29 H CYS 29 -2.567 -10.394 1.956
203 HA CYS 29 HA CYS 29 -4.187 -7.880 1.916
204 1HB CYS 29 2HB CYS 29 -2.441 -9.133 -0.228
205 2HB CYS 29 1HB CYS 29 -3.380 -7.655 -0.431
206 H VAL 30 H VAL 30 -6.155 -7.849 0.859
207 HA VAL 30 HA VAL 30 -6.908 -10.082 -0.889
208 HB VAL 30 HB VAL 30 -8.925 -10.667 0.359
209 1HG1 VAL 30 1HG1 VAL 30 -6.697 -11.764 0.871
210 2HG1 VAL 30 2HG1 VAL 30 -7.891 -11.864 2.166
211 3HG1 VAL 30 3HG1 VAL 30 -6.576 -10.694 2.268
212 1HG2 VAL 30 1HG2 VAL 30 -9.104 -9.756 2.748
213 2HG2 VAL 30 2HG2 VAL 30 -9.513 -8.630 1.455
214 3HG2 VAL 30 3HG2 VAL 30 -7.946 -8.522 2.255
215 H SER 31 H SER 31 -9.526 -9.583 -1.250
216 HA SER 31 HA SER 31 -9.485 -6.962 -2.547
217 1HB SER 31 2HB SER 31 -10.577 -9.274 -3.327
218 2HB SER 31 1HB SER 31 -11.964 -8.618 -2.462
219 HG SER 31 HG SER 31 -10.658 -7.698 -4.758
220 H SER 32 H SER 32 -10.140 -5.160 -1.536
221 HA SER 32 HA SER 32 -11.285 -5.090 1.067
222 1HB SER 32 2HB SER 32 -11.571 -2.722 0.706
223 2HB SER 32 1HB SER 32 -10.076 -3.199 -0.093
224 HG SER 32 HG SER 32 -11.363 -1.916 -1.458
225 H GLY 33 H GLY 33 -12.766 -5.323 -2.102
226 1HA GLY 33 2HA GLY 33 -15.019 -6.347 -2.208
227 2HA GLY 33 1HA GLY 33 -15.437 -5.426 -0.762
228 HA PRO 34 HA PRO 34 -16.632 -2.873 -4.499
229 1HB PRO 34 2HB PRO 34 -19.337 -3.223 -4.383
230 2HB PRO 34 1HB PRO 34 -18.259 -4.299 -5.284
231 1HG PRO 34 2HG PRO 34 -19.732 -4.799 -2.794
232 2HG PRO 34 1HG PRO 34 -19.044 -5.951 -3.946
233 1HD PRO 34 2HD PRO 34 -17.955 -5.130 -1.411
234 2HD PRO 34 1HD PRO 34 -17.259 -6.275 -2.578
235 H GLY 35 H GLY 35 -17.190 -0.704 -4.244
236 1HA GLY 35 2HA GLY 35 -18.991 0.270 -2.211
237 2HA GLY 35 1HA GLY 35 -17.311 0.517 -1.726
238 H LEU 36 H LEU 36 -15.945 1.382 -3.746
239 HA LEU 36 HA LEU 36 -17.108 3.965 -4.419
240 1HB LEU 36 2HB LEU 36 -14.488 2.589 -4.876
241 2HB LEU 36 1HB LEU 36 -14.897 3.964 -5.903
242 HG LEU 36 HG LEU 36 -15.371 5.297 -3.831
243 1HD1 LEU 36 1HD1 LEU 36 -14.106 4.158 -1.782
244 2HD1 LEU 36 2HD1 LEU 36 -14.586 2.680 -2.614
245 3HD1 LEU 36 3HD1 LEU 36 -15.812 3.836 -2.092
246 1HD2 LEU 36 1HD2 LEU 36 -12.945 5.494 -3.163
247 2HD2 LEU 36 2HD2 LEU 36 -13.215 5.559 -4.905
248 3HD2 LEU 36 3HD2 LEU 36 -12.614 4.078 -4.161
249 H VAL 37 H VAL 37 -16.902 4.692 -6.821
250 HA VAL 37 HA VAL 37 -17.605 4.493 -9.039
251 HB VAL 37 HB VAL 37 -17.181 1.508 -8.705
252 1HG1 VAL 37 1HG1 VAL 37 -16.703 1.721 -11.175
253 2HG1 VAL 37 2HG1 VAL 37 -17.280 3.385 -11.080
254 3HG1 VAL 37 3HG1 VAL 37 -18.377 2.049 -10.728
255 1HG2 VAL 37 1HG2 VAL 37 -15.230 3.688 -9.513
256 2HG2 VAL 37 2HG2 VAL 37 -14.907 1.956 -9.594
257 3HG2 VAL 37 3HG2 VAL 37 -15.157 2.735 -8.031
258 H GLY 38 H GLY 38 -18.859 1.420 -7.678
259 1HA GLY 38 2HA GLY 38 -21.610 2.473 -8.205
260 2HA GLY 38 1HA GLY 38 -21.164 0.796 -8.522
261 H GLY 39 H GLY 39 -23.221 0.873 -6.923
262 1HA GLY 39 2HA GLY 39 -22.105 0.486 -4.175
263 2HA GLY 39 1HA GLY 39 -23.667 1.267 -4.426
264 H ILE 40 H ILE 40 -22.966 -1.296 -3.030
265 HA ILE 40 HA ILE 40 -23.881 -3.500 -4.623
266 HB ILE 40 HB ILE 40 -22.560 -3.802 -2.557
267 1HG1 ILE 40 2HG1 ILE 40 -24.050 -5.572 -1.501
268 2HG1 ILE 40 1HG1 ILE 40 -25.326 -5.038 -2.596
269 1HG2 ILE 40 1HG2 ILE 40 -23.449 -2.028 -1.181
270 2HG2 ILE 40 2HG2 ILE 40 -23.775 -3.556 -0.362
271 3HG2 ILE 40 3HG2 ILE 40 -25.066 -2.731 -1.234
272 1HD1 ILE 40 1HD1 ILE 40 -24.043 -6.979 -3.499
273 2HD1 ILE 40 2HD1 ILE 40 -22.585 -5.987 -3.482
274 3HD1 ILE 40 3HD1 ILE 40 -23.933 -5.555 -4.533
275 H LEU 41 H LEU 41 -25.533 -0.998 -2.882
276 HA LEU 41 HA LEU 41 -28.133 -2.415 -3.227
277 1HB LEU 41 2HB LEU 41 -27.176 -0.210 -1.425
278 2HB LEU 41 1HB LEU 41 -28.894 -0.326 -1.810
279 HG LEU 41 HG LEU 41 -27.321 -2.715 -0.840
280 1HD1 LEU 41 1HD1 LEU 41 -29.033 -0.991 0.946
281 2HD1 LEU 41 2HD1 LEU 41 -27.315 -0.651 0.744
282 3HD1 LEU 41 3HD1 LEU 41 -27.835 -2.202 1.402
283 1HD2 LEU 41 1HD2 LEU 41 -29.718 -3.277 -0.051
284 2HD2 LEU 41 2HD2 LEU 41 -29.400 -3.359 -1.784
285 3HD2 LEU 41 3HD2 LEU 41 -30.235 -1.961 -1.105
286 H GLY 42 H GLY 42 -29.964 -1.038 -4.013
287 1HA GLY 42 2HA GLY 42 -30.414 1.248 -5.111
288 2HA GLY 42 1HA GLY 42 -29.000 0.876 -6.099
289 H GLY 43 H GLY 43 -32.223 -0.384 -5.240
290 1HA GLY 43 2HA GLY 43 -33.204 -0.759 -7.812
291 2HA GLY 43 1HA GLY 43 -32.306 -2.240 -7.471
292 H ILE 44 H ILE 44 -35.301 -0.757 -7.164
293 HA ILE 44 HA ILE 44 -36.088 -2.370 -4.793
294 HB ILE 44 HB ILE 44 -37.717 -0.344 -6.354
295 1HG1 ILE 44 2HG1 ILE 44 -36.311 0.058 -3.702
296 2HG1 ILE 44 1HG1 ILE 44 -35.591 0.532 -5.240
297 1HG2 ILE 44 1HG2 ILE 44 -38.072 -1.592 -3.610
298 2HG2 ILE 44 2HG2 ILE 44 -39.049 -1.938 -5.037
299 3HG2 ILE 44 3HG2 ILE 44 -39.103 -0.337 -4.299
300 1HD1 ILE 44 1HD1 ILE 44 -38.386 1.426 -4.688
301 2HD1 ILE 44 2HD1 ILE 44 -37.104 2.241 -5.583
302 3HD1 ILE 44 3HD1 ILE 44 -37.081 2.234 -3.820
303 H LEU 45 H LEU 45 -35.935 -4.411 -5.991
304 HA LEU 45 HA LEU 45 -38.418 -4.939 -7.539
305 1HB LEU 45 2HB LEU 45 -35.589 -5.462 -8.458
306 2HB LEU 45 1HB LEU 45 -36.945 -6.408 -9.075
307 HG LEU 45 HG LEU 45 -37.065 -3.400 -9.083
308 1HD1 LEU 45 1HD1 LEU 45 -35.914 -3.237 -11.117
309 2HD1 LEU 45 2HD1 LEU 45 -36.087 -4.958 -11.464
310 3HD1 LEU 45 3HD1 LEU 45 -34.942 -4.417 -10.236
311 1HD2 LEU 45 1HD2 LEU 45 -38.766 -3.721 -10.676
312 2HD2 LEU 45 2HD2 LEU 45 -39.012 -5.076 -9.575
313 3HD2 LEU 45 3HD2 LEU 45 -38.184 -5.328 -11.111
Start of MODEL 19
1 1H LEU 1 1HT LEU 1 4.945 3.529 -14.451
2 2H LEU 1 2HT LEU 1 5.323 1.874 -14.502
3 3H LEU 1 3HT LEU 1 5.856 2.830 -13.202
4 HA LEU 1 HA LEU 1 3.506 3.235 -12.592
5 1HB LEU 1 2HB LEU 1 3.196 1.511 -15.006
6 2HB LEU 1 1HB LEU 1 2.083 1.227 -13.667
7 HG LEU 1 HG LEU 1 1.732 3.788 -13.668
8 1HD1 LEU 1 1HD1 LEU 1 3.398 4.657 -15.049
9 2HD1 LEU 1 2HD1 LEU 1 2.034 4.578 -16.164
10 3HD1 LEU 1 3HD1 LEU 1 3.278 3.328 -16.201
11 1HD2 LEU 1 1HD2 LEU 1 0.159 1.961 -14.546
12 2HD2 LEU 1 2HD2 LEU 1 0.780 2.345 -16.151
13 3HD2 LEU 1 3HD2 LEU 1 -0.072 3.575 -15.218
14 H LEU 2 H LEU 2 2.727 1.905 -10.882
15 HA LEU 2 HA LEU 2 3.805 -0.813 -10.560
16 1HB LEU 2 2HB LEU 2 5.331 1.267 -9.574
17 2HB LEU 2 1HB LEU 2 4.362 0.824 -8.172
18 HG LEU 2 HG LEU 2 6.457 -0.463 -8.217
19 1HD1 LEU 2 1HD1 LEU 2 4.222 -2.340 -8.995
20 2HD1 LEU 2 2HD1 LEU 2 4.222 -1.476 -7.458
21 3HD1 LEU 2 3HD1 LEU 2 5.520 -2.611 -7.832
22 1HD2 LEU 2 1HD2 LEU 2 6.467 -0.365 -10.835
23 2HD2 LEU 2 2HD2 LEU 2 5.522 -1.850 -10.718
24 3HD2 LEU 2 3HD2 LEU 2 7.143 -1.781 -10.029
25 H ALA 3 H ALA 3 1.709 -1.600 -10.332
26 HA ALA 3 HA ALA 3 0.008 -0.384 -8.202
27 1HB ALA 3 1HB ALA 3 -1.818 -0.966 -9.438
28 2HB ALA 3 2HB ALA 3 -1.126 -2.516 -9.916
29 3HB ALA 3 3HB ALA 3 -0.661 -1.042 -10.766
30 H CYS 4 H CYS 4 2.265 -2.062 -7.537
31 HA CYS 4 HA CYS 4 1.054 -3.840 -5.669
32 1HB CYS 4 2HB CYS 4 0.569 -5.163 -7.727
33 2HB CYS 4 1HB CYS 4 2.292 -5.201 -8.085
34 H LEU 5 H LEU 5 2.568 -2.933 -4.274
35 HA LEU 5 HA LEU 5 5.414 -2.854 -4.909
36 1HB LEU 5 2HB LEU 5 4.126 -2.546 -2.183
37 2HB LEU 5 1HB LEU 5 5.700 -1.941 -2.698
38 HG LEU 5 HG LEU 5 3.054 -1.066 -3.890
39 1HD1 LEU 5 1HD1 LEU 5 4.813 0.690 -2.210
40 2HD1 LEU 5 2HD1 LEU 5 3.720 -0.438 -1.408
41 3HD1 LEU 5 3HD1 LEU 5 3.075 0.794 -2.494
42 1HD2 LEU 5 1HD2 LEU 5 5.903 -0.063 -4.204
43 2HD2 LEU 5 2HD2 LEU 5 4.481 0.746 -4.861
44 3HD2 LEU 5 3HD2 LEU 5 4.931 -0.857 -5.443
45 H PHE 6 H PHE 6 3.242 -5.085 -3.307
46 HA PHE 6 HA PHE 6 5.602 -6.819 -2.688
47 1HB PHE 6 2HB PHE 6 3.014 -6.485 -1.153
48 2HB PHE 6 1HB PHE 6 4.163 -7.787 -0.849
49 HD1 PHE 6 1HD PHE 6 6.336 -7.349 0.158
50 HD2 PHE 6 2HD PHE 6 3.595 -4.147 -0.675
51 HE1 PHE 6 1HE PHE 6 7.691 -5.822 1.566
52 HE2 PHE 6 2HE PHE 6 4.951 -2.620 0.733
53 HZ PHE 6 HZ PHE 6 7.000 -3.458 1.853
54 H GLY 7 H GLY 7 2.133 -7.578 -2.567
55 1HA GLY 7 2HA GLY 7 0.851 -8.981 -3.981
56 2HA GLY 7 1HA GLY 7 2.239 -9.105 -5.062
57 H ASN 8 H ASN 8 2.532 -9.754 -1.625
58 HA ASN 8 HA ASN 8 3.004 -12.628 -2.295
59 1HB ASN 8 2HB ASN 8 4.229 -10.763 -0.283
60 2HB ASN 8 1HB ASN 8 4.241 -12.501 0.014
61 1HD2 ASN 8 1HD2 ASN 8 6.552 -10.674 -0.671
62 2HD2 ASN 8 2HD2 ASN 8 7.249 -11.347 -2.064
63 H GLY 9 H GLY 9 0.510 -10.911 -1.220
64 1HA GLY 9 2HA GLY 9 -1.387 -11.507 0.008
65 2HA GLY 9 1HA GLY 9 -0.667 -13.098 0.222
66 H ARG 10 H ARG 10 1.494 -10.693 1.288
67 HA ARG 10 HA ARG 10 0.453 -10.880 4.081
68 1HB ARG 10 2HB ARG 10 2.850 -11.038 4.821
69 2HB ARG 10 1HB ARG 10 2.306 -12.446 3.908
70 1HG ARG 10 2HG ARG 10 3.258 -11.416 1.847
71 2HG ARG 10 1HG ARG 10 3.910 -10.114 2.832
72 1HD ARG 10 2HD ARG 10 4.821 -12.288 4.207
73 2HD ARG 10 1HD ARG 10 4.833 -12.913 2.558
74 HE ARG 10 HE ARG 10 6.031 -10.363 2.461
75 1HH1 ARG 10 1HH2 ARG 10 6.628 -13.472 3.949
76 2HH1 ARG 10 2HH2 ARG 10 8.343 -13.249 3.960
77 1HH2 ARG 10 1HH1 ARG 10 8.254 -10.118 2.495
78 2HH2 ARG 10 2HH1 ARG 10 9.256 -11.371 3.147
79 H CYS 11 H CYS 11 0.475 -8.947 5.153
80 HA CYS 11 HA CYS 11 2.180 -6.732 4.183
81 1HB CYS 11 2HB CYS 11 0.174 -5.195 4.117
82 2HB CYS 11 1HB CYS 11 0.241 -6.377 2.819
83 H SER 12 H SER 12 2.000 -4.807 5.583
84 HA SER 12 HA SER 12 1.441 -5.585 8.408
85 1HB SER 12 2HB SER 12 3.352 -3.629 7.149
86 2HB SER 12 1HB SER 12 2.864 -3.441 8.832
87 HG SER 12 HG SER 12 3.679 -5.477 9.261
88 H SER 13 H SER 13 0.719 -3.339 5.863
89 HA SER 13 HA SER 13 -1.561 -2.281 7.418
90 1HB SER 13 2HB SER 13 -0.991 0.047 6.647
91 2HB SER 13 1HB SER 13 0.159 -0.608 7.811
92 HG SER 13 HG SER 13 1.600 -0.947 6.203
93 H ASN 14 H ASN 14 -2.718 -0.636 5.659
94 HA ASN 14 HA ASN 14 -3.549 -2.369 3.510
95 1HB ASN 14 2HB ASN 14 -4.144 0.430 4.363
96 2HB ASN 14 1HB ASN 14 -4.550 -0.026 2.707
97 1HD2 ASN 14 1HD2 ASN 14 -6.811 -0.329 2.840
98 2HD2 ASN 14 2HD2 ASN 14 -7.563 -1.398 3.923
99 H ARG 15 H ARG 15 -1.315 0.371 3.703
100 HA ARG 15 HA ARG 15 -0.918 0.641 0.868
101 1HB ARG 15 2HB ARG 15 0.667 1.493 3.285
102 2HB ARG 15 1HB ARG 15 1.272 1.769 1.651
103 1HG ARG 15 2HG ARG 15 -0.937 2.896 1.132
104 2HG ARG 15 1HG ARG 15 -1.307 2.805 2.854
105 1HD ARG 15 2HD ARG 15 0.754 4.078 3.358
106 2HD ARG 15 1HD ARG 15 1.097 4.194 1.631
107 HE ARG 15 HE ARG 15 -0.517 5.898 1.483
108 1HH1 ARG 15 1HH2 ARG 15 -0.965 4.081 4.437
109 2HH1 ARG 15 2HH2 ARG 15 -2.186 5.151 5.029
110 1HH2 ARG 15 1HH1 ARG 15 -2.104 7.257 2.288
111 2HH2 ARG 15 2HH1 ARG 15 -2.826 6.930 3.827
112 H ASP 16 H ASP 16 0.056 -1.842 2.985
113 HA ASP 16 HA ASP 16 2.499 -2.494 1.472
114 1HB ASP 16 2HB ASP 16 1.166 -3.492 3.941
115 2HB ASP 16 1HB ASP 16 2.204 -4.616 3.064
116 H CYS 17 H CYS 17 -0.509 -2.678 0.455
117 HA CYS 17 HA CYS 17 -0.291 -5.510 -0.492
118 1HB CYS 17 2HB CYS 17 -2.718 -3.741 -0.109
119 2HB CYS 17 1HB CYS 17 -2.758 -5.314 -0.904
120 H CYS 18 H CYS 18 -1.928 -5.500 -2.671
121 HA CYS 18 HA CYS 18 -0.599 -3.523 -4.484
122 1HB CYS 18 2HB CYS 18 -1.690 -6.260 -5.206
123 2HB CYS 18 1HB CYS 18 -0.760 -5.188 -6.250
124 H GLU 19 H GLU 19 -2.032 -3.466 -6.667
125 HA GLU 19 HA GLU 19 -4.417 -2.047 -6.016
126 1HB GLU 19 2HB GLU 19 -3.048 -1.883 -8.159
127 2HB GLU 19 1HB GLU 19 -3.849 -3.367 -8.678
128 1HG GLU 19 2HG GLU 19 -5.225 -1.693 -9.585
129 2HG GLU 19 1HG GLU 19 -6.051 -2.109 -8.084
130 H LEU 20 H LEU 20 -4.018 -5.337 -7.385
131 HA LEU 20 HA LEU 20 -6.749 -6.036 -7.550
132 1HB LEU 20 2HB LEU 20 -4.383 -7.338 -8.025
133 2HB LEU 20 1HB LEU 20 -4.964 -8.197 -6.600
134 HG LEU 20 HG LEU 20 -5.778 -9.283 -8.648
135 1HD1 LEU 20 1HD1 LEU 20 -7.220 -9.210 -6.596
136 2HD1 LEU 20 2HD1 LEU 20 -8.136 -9.367 -8.095
137 3HD1 LEU 20 3HD1 LEU 20 -8.042 -7.807 -7.278
138 1HD2 LEU 20 1HD2 LEU 20 -6.874 -8.181 -10.364
139 2HD2 LEU 20 2HD2 LEU 20 -5.812 -6.886 -9.811
140 3HD2 LEU 20 3HD2 LEU 20 -7.498 -6.923 -9.298
141 H THR 21 H THR 21 -4.722 -5.688 -4.745
142 HA THR 21 HA THR 21 -7.022 -6.499 -3.023
143 HB THR 21 HB THR 21 -5.452 -7.529 -1.450
144 HG1 THR 21 1HG THR 21 -3.503 -6.803 -3.381
145 1HG2 THR 21 1HG2 THR 21 -6.269 -9.078 -3.066
146 2HG2 THR 21 2HG2 THR 21 -4.529 -9.356 -2.986
147 3HG2 THR 21 3HG2 THR 21 -5.214 -8.432 -4.323
148 HA PRO 22 HA PRO 22 -5.565 -2.301 -1.870
149 1HB PRO 22 2HB PRO 22 -8.048 -1.192 -1.655
150 2HB PRO 22 1HB PRO 22 -7.162 -1.313 -3.181
151 1HG PRO 22 2HG PRO 22 -9.513 -2.827 -2.257
152 2HG PRO 22 1HG PRO 22 -8.949 -2.513 -3.903
153 1HD PRO 22 2HD PRO 22 -8.623 -4.915 -2.403
154 2HD PRO 22 1HD PRO 22 -7.931 -4.545 -3.994
155 H VAL 23 H VAL 23 -6.813 -4.818 -0.169
156 HA VAL 23 HA VAL 23 -7.085 -3.120 2.281
157 HB VAL 23 HB VAL 23 -9.266 -4.032 1.596
158 1HG1 VAL 23 1HG1 VAL 23 -7.712 -6.540 1.464
159 2HG1 VAL 23 2HG1 VAL 23 -9.124 -6.033 0.541
160 3HG1 VAL 23 3HG1 VAL 23 -9.320 -6.664 2.174
161 1HG2 VAL 23 1HG2 VAL 23 -9.909 -4.556 3.754
162 2HG2 VAL 23 2HG2 VAL 23 -8.314 -3.876 4.075
163 3HG2 VAL 23 3HG2 VAL 23 -8.530 -5.626 4.013
164 H CYS 24 H CYS 24 -6.116 -3.878 4.151
165 HA CYS 24 HA CYS 24 -4.414 -6.325 3.873
166 1HB CYS 24 2HB CYS 24 -3.042 -4.278 3.800
167 2HB CYS 24 1HB CYS 24 -3.772 -3.716 5.300
168 H LYS 25 H LYS 25 -5.751 -7.716 5.016
169 HA LYS 25 HA LYS 25 -6.317 -6.957 7.858
170 1HB LYS 25 2HB LYS 25 -8.067 -8.404 5.866
171 2HB LYS 25 1HB LYS 25 -8.342 -8.514 7.604
172 1HG LYS 25 2HG LYS 25 -8.500 -6.042 7.722
173 2HG LYS 25 1HG LYS 25 -8.279 -5.957 5.974
174 1HD LYS 25 2HD LYS 25 -10.499 -7.557 7.266
175 2HD LYS 25 1HD LYS 25 -10.696 -5.875 6.773
176 1HE LYS 25 2HE LYS 25 -10.757 -6.400 4.556
177 2HE LYS 25 1HE LYS 25 -9.508 -7.635 4.714
178 1HZ LYS 25 1HZ LYS 25 -11.584 -8.668 4.169
179 2HZ LYS 25 2HZ LYS 25 -12.368 -7.901 5.466
180 3HZ LYS 25 3HZ LYS 25 -11.180 -9.078 5.764
181 H ARG 26 H ARG 26 -6.013 -8.595 9.394
182 HA ARG 26 HA ARG 26 -5.059 -10.528 10.306
183 1HB ARG 26 2HB ARG 26 -6.311 -11.470 7.757
184 2HB ARG 26 1HB ARG 26 -5.222 -12.570 8.603
185 1HG ARG 26 2HG ARG 26 -7.233 -13.094 9.638
186 2HG ARG 26 1HG ARG 26 -6.635 -11.833 10.716
187 1HD ARG 26 2HD ARG 26 -8.483 -10.622 10.294
188 2HD ARG 26 1HD ARG 26 -8.024 -10.528 8.595
189 HE ARG 26 HE ARG 26 -9.639 -12.176 8.124
190 1HH1 ARG 26 1HH2 ARG 26 -8.931 -12.131 11.549
191 2HH1 ARG 26 2HH2 ARG 26 -10.195 -13.249 11.926
192 1HH2 ARG 26 1HH1 ARG 26 -11.262 -13.621 8.658
193 2HH2 ARG 26 2HH1 ARG 26 -11.501 -14.086 10.310
194 H GLY 27 H GLY 27 -3.343 -8.662 8.881
195 1HA GLY 27 2HA GLY 27 -1.120 -8.532 8.147
196 2HA GLY 27 1HA GLY 27 -0.922 -10.155 8.807
197 H SER 28 H SER 28 -3.293 -9.478 6.316
198 HA SER 28 HA SER 28 -1.505 -10.616 4.235
199 1HB SER 28 2HB SER 28 -4.118 -11.783 5.181
200 2HB SER 28 1HB SER 28 -3.551 -12.053 3.534
201 HG SER 28 HG SER 28 -2.548 -13.645 4.530
202 H CYS 29 H CYS 29 -2.614 -10.423 2.022
203 HA CYS 29 HA CYS 29 -4.171 -7.870 1.969
204 1HB CYS 29 2HB CYS 29 -2.418 -9.168 -0.143
205 2HB CYS 29 1HB CYS 29 -3.348 -7.690 -0.387
206 H VAL 30 H VAL 30 -6.122 -7.788 0.840
207 HA VAL 30 HA VAL 30 -6.879 -10.051 -0.866
208 HB VAL 30 HB VAL 30 -8.967 -10.517 0.336
209 1HG1 VAL 30 1HG1 VAL 30 -6.825 -11.734 0.892
210 2HG1 VAL 30 2HG1 VAL 30 -8.016 -11.729 2.191
211 3HG1 VAL 30 3HG1 VAL 30 -6.631 -10.640 2.261
212 1HG2 VAL 30 1HG2 VAL 30 -7.920 -8.374 2.188
213 2HG2 VAL 30 2HG2 VAL 30 -9.091 -9.575 2.734
214 3HG2 VAL 30 3HG2 VAL 30 -9.503 -8.479 1.416
215 H SER 31 H SER 31 -9.267 -9.554 -1.625
216 HA SER 31 HA SER 31 -9.198 -6.769 -2.590
217 1HB SER 31 2HB SER 31 -9.505 -8.592 -4.232
218 2HB SER 31 1HB SER 31 -10.979 -9.082 -3.401
219 HG SER 31 HG SER 31 -10.865 -7.404 -5.317
220 H SER 32 H SER 32 -10.167 -5.359 -1.225
221 HA SER 32 HA SER 32 -12.409 -6.143 0.480
222 1HB SER 32 2HB SER 32 -12.406 -3.482 0.731
223 2HB SER 32 1HB SER 32 -11.205 -4.484 1.539
224 HG SER 32 HG SER 32 -10.747 -2.565 -0.146
225 H GLY 33 H GLY 33 -12.228 -3.387 -1.789
226 1HA GLY 33 2HA GLY 33 -13.816 -2.551 -3.300
227 2HA GLY 33 1HA GLY 33 -14.369 -4.216 -3.482
228 HA PRO 34 HA PRO 34 -17.074 -2.198 -0.059
229 1HB PRO 34 2HB PRO 34 -16.745 0.477 0.368
230 2HB PRO 34 1HB PRO 34 -15.772 -0.759 1.178
231 1HG PRO 34 2HG PRO 34 -14.982 1.162 -0.886
232 2HG PRO 34 1HG PRO 34 -13.970 0.207 0.206
233 1HD PRO 34 2HD PRO 34 -14.581 -0.306 -2.582
234 2HD PRO 34 1HD PRO 34 -13.484 -1.206 -1.510
235 H GLY 35 H GLY 35 -17.466 -2.169 -2.975
236 1HA GLY 35 2HA GLY 35 -19.071 -1.457 -4.526
237 2HA GLY 35 1HA GLY 35 -19.971 -0.820 -3.149
238 H LEU 36 H LEU 36 -17.746 -0.039 -5.715
239 HA LEU 36 HA LEU 36 -18.457 2.747 -5.666
240 1HB LEU 36 2HB LEU 36 -16.796 2.401 -3.667
241 2HB LEU 36 1HB LEU 36 -15.570 2.324 -4.933
242 HG LEU 36 HG LEU 36 -17.537 4.551 -5.110
243 1HD1 LEU 36 1HD1 LEU 36 -17.173 5.026 -2.890
244 2HD1 LEU 36 2HD1 LEU 36 -15.706 5.754 -3.548
245 3HD1 LEU 36 3HD1 LEU 36 -15.649 4.138 -2.842
246 1HD2 LEU 36 1HD2 LEU 36 -15.807 5.602 -6.243
247 2HD2 LEU 36 2HD2 LEU 36 -15.398 3.916 -6.562
248 3HD2 LEU 36 3HD2 LEU 36 -14.558 4.801 -5.289
249 H VAL 37 H VAL 37 -18.201 3.423 -7.736
250 HA VAL 37 HA VAL 37 -16.292 1.914 -9.471
251 HB VAL 37 HB VAL 37 -17.706 2.787 -11.356
252 1HG1 VAL 37 1HG1 VAL 37 -19.161 1.228 -9.197
253 2HG1 VAL 37 2HG1 VAL 37 -18.090 0.542 -10.418
254 3HG1 VAL 37 3HG1 VAL 37 -19.617 1.281 -10.899
255 1HG2 VAL 37 1HG2 VAL 37 -18.582 4.640 -9.605
256 2HG2 VAL 37 2HG2 VAL 37 -19.867 3.449 -9.414
257 3HG2 VAL 37 3HG2 VAL 37 -19.534 4.139 -11.002
258 H GLY 38 H GLY 38 -15.886 3.579 -11.533
259 1HA GLY 38 2HA GLY 38 -14.146 5.617 -10.414
260 2HA GLY 38 1HA GLY 38 -14.429 5.330 -12.132
261 H GLY 39 H GLY 39 -14.299 7.927 -11.385
262 1HA GLY 39 2HA GLY 39 -17.129 8.812 -11.668
263 2HA GLY 39 1HA GLY 39 -16.118 9.565 -10.433
264 H ILE 40 H ILE 40 -17.191 11.160 -12.416
265 HA ILE 40 HA ILE 40 -14.933 11.627 -14.300
266 HB ILE 40 HB ILE 40 -17.130 11.301 -15.361
267 1HG1 ILE 40 2HG1 ILE 40 -16.693 14.243 -15.656
268 2HG1 ILE 40 1HG1 ILE 40 -15.336 13.177 -16.027
269 1HG2 ILE 40 1HG2 ILE 40 -18.859 11.972 -14.038
270 2HG2 ILE 40 2HG2 ILE 40 -18.645 13.507 -14.879
271 3HG2 ILE 40 3HG2 ILE 40 -17.923 13.265 -13.290
272 1HD1 ILE 40 1HD1 ILE 40 -16.515 13.422 -18.081
273 2HD1 ILE 40 2HD1 ILE 40 -18.079 13.209 -17.296
274 3HD1 ILE 40 3HD1 ILE 40 -16.983 11.837 -17.465
275 H LEU 41 H LEU 41 -16.597 12.955 -11.579
276 HA LEU 41 HA LEU 41 -15.766 15.707 -11.947
277 1HB LEU 41 2HB LEU 41 -16.660 14.177 -9.485
278 2HB LEU 41 1HB LEU 41 -16.368 15.917 -9.516
279 HG LEU 41 HG LEU 41 -18.165 14.784 -11.613
280 1HD1 LEU 41 1HD1 LEU 41 -18.687 13.887 -9.161
281 2HD1 LEU 41 2HD1 LEU 41 -19.984 14.427 -10.227
282 3HD1 LEU 41 3HD1 LEU 41 -19.370 15.501 -8.971
283 1HD2 LEU 41 1HD2 LEU 41 -19.294 16.953 -11.249
284 2HD2 LEU 41 2HD2 LEU 41 -17.572 17.182 -11.549
285 3HD2 LEU 41 3HD2 LEU 41 -18.204 17.294 -9.906
286 H GLY 42 H GLY 42 -13.709 16.419 -11.757
287 1HA GLY 42 2HA GLY 42 -11.822 16.643 -10.066
288 2HA GLY 42 1HA GLY 42 -11.835 14.880 -10.001
289 H GLY 43 H GLY 43 -11.051 17.663 -12.013
290 1HA GLY 43 2HA GLY 43 -8.987 16.111 -13.390
291 2HA GLY 43 1HA GLY 43 -10.314 16.613 -14.439
292 H ILE 44 H ILE 44 -9.447 18.265 -15.633
293 HA ILE 44 HA ILE 44 -7.568 20.186 -14.529
294 HB ILE 44 HB ILE 44 -7.909 21.354 -16.722
295 1HG1 ILE 44 2HG1 ILE 44 -9.595 19.038 -17.602
296 2HG1 ILE 44 1HG1 ILE 44 -10.376 20.370 -16.748
297 1HG2 ILE 44 1HG2 ILE 44 -7.588 18.399 -17.215
298 2HG2 ILE 44 2HG2 ILE 44 -6.383 19.293 -16.288
299 3HG2 ILE 44 3HG2 ILE 44 -6.720 19.742 -17.959
300 1HD1 ILE 44 1HD1 ILE 44 -8.953 21.829 -18.465
301 2HD1 ILE 44 2HD1 ILE 44 -10.524 21.165 -18.915
302 3HD1 ILE 44 3HD1 ILE 44 -9.045 20.352 -19.426
303 H LEU 45 H LEU 45 -8.094 22.610 -14.717
304 HA LEU 45 HA LEU 45 -9.352 24.437 -13.964
305 1HB LEU 45 2HB LEU 45 -11.175 22.784 -15.550
306 2HB LEU 45 1HB LEU 45 -12.026 23.704 -14.310
307 HG LEU 45 HG LEU 45 -9.944 25.142 -15.891
308 1HD1 LEU 45 1HD1 LEU 45 -11.592 25.598 -17.691
309 2HD1 LEU 45 2HD1 LEU 45 -12.690 24.424 -16.964
310 3HD1 LEU 45 3HD1 LEU 45 -11.146 23.893 -17.630
311 1HD2 LEU 45 1HD2 LEU 45 -11.152 26.994 -15.247
312 2HD2 LEU 45 2HD2 LEU 45 -11.668 25.899 -13.965
313 3HD2 LEU 45 3HD2 LEU 45 -12.699 26.158 -15.373
Start of MODEL 20
1 1H LEU 1 1HT LEU 1 2.551 -0.001 -15.243
2 2H LEU 1 2HT LEU 1 1.512 1.054 -16.077
3 3H LEU 1 3HT LEU 1 0.882 -0.305 -15.275
4 HA LEU 1 HA LEU 1 1.994 2.170 -14.099
5 1HB LEU 1 2HB LEU 1 -0.645 0.785 -14.248
6 2HB LEU 1 1HB LEU 1 -0.262 1.637 -12.751
7 HG LEU 1 HG LEU 1 0.476 3.564 -14.405
8 1HD1 LEU 1 1HD1 LEU 1 -1.437 3.391 -16.279
9 2HD1 LEU 1 2HD1 LEU 1 -1.113 1.670 -16.074
10 3HD1 LEU 1 3HD1 LEU 1 0.188 2.763 -16.545
11 1HD2 LEU 1 1HD2 LEU 1 -2.051 4.245 -14.450
12 2HD2 LEU 1 2HD2 LEU 1 -1.253 4.051 -12.890
13 3HD2 LEU 1 3HD2 LEU 1 -2.290 2.769 -13.515
14 H LEU 2 H LEU 2 2.783 2.082 -12.007
15 HA LEU 2 HA LEU 2 3.412 -0.602 -10.953
16 1HB LEU 2 2HB LEU 2 4.309 2.201 -10.341
17 2HB LEU 2 1HB LEU 2 4.581 0.922 -9.158
18 HG LEU 2 HG LEU 2 5.311 0.317 -11.981
19 1HD1 LEU 2 1HD1 LEU 2 6.787 2.278 -10.212
20 2HD1 LEU 2 2HD1 LEU 2 6.255 2.510 -11.877
21 3HD1 LEU 2 3HD1 LEU 2 7.579 1.401 -11.522
22 1HD2 LEU 2 1HD2 LEU 2 6.827 -1.137 -10.971
23 2HD2 LEU 2 2HD2 LEU 2 5.550 -1.094 -9.755
24 3HD2 LEU 2 3HD2 LEU 2 7.005 -0.121 -9.541
25 H ALA 3 H ALA 3 1.492 -1.400 -10.071
26 HA ALA 3 HA ALA 3 0.451 0.109 -7.712
27 1HB ALA 3 1HB ALA 3 -0.996 -0.027 -9.962
28 2HB ALA 3 2HB ALA 3 -1.749 -0.117 -8.369
29 3HB ALA 3 3HB ALA 3 -1.434 -1.594 -9.282
30 H CYS 4 H CYS 4 2.341 -1.681 -7.203
31 HA CYS 4 HA CYS 4 1.102 -3.630 -5.544
32 1HB CYS 4 2HB CYS 4 0.604 -4.732 -7.723
33 2HB CYS 4 1HB CYS 4 2.325 -4.747 -8.091
34 H LEU 5 H LEU 5 2.612 -2.952 -4.043
35 HA LEU 5 HA LEU 5 5.436 -2.692 -4.601
36 1HB LEU 5 2HB LEU 5 4.112 -3.100 -1.903
37 2HB LEU 5 1HB LEU 5 5.698 -2.392 -2.207
38 HG LEU 5 HG LEU 5 3.082 -1.239 -3.214
39 1HD1 LEU 5 1HD1 LEU 5 4.844 -0.470 -0.870
40 2HD1 LEU 5 2HD1 LEU 5 3.179 -1.045 -0.794
41 3HD1 LEU 5 3HD1 LEU 5 3.535 0.533 -1.497
42 1HD2 LEU 5 1HD2 LEU 5 5.948 -0.242 -3.233
43 2HD2 LEU 5 2HD2 LEU 5 4.555 0.762 -3.637
44 3HD2 LEU 5 3HD2 LEU 5 4.955 -0.635 -4.638
45 H PHE 6 H PHE 6 3.382 -5.283 -3.406
46 HA PHE 6 HA PHE 6 5.626 -7.177 -3.801
47 1HB PHE 6 2HB PHE 6 4.088 -6.856 -1.213
48 2HB PHE 6 1HB PHE 6 5.059 -8.278 -1.596
49 HD1 PHE 6 1HD PHE 6 5.120 -5.135 -0.032
50 HD2 PHE 6 2HD PHE 6 7.512 -7.696 -2.517
51 HE1 PHE 6 1HE PHE 6 7.165 -3.941 0.704
52 HE2 PHE 6 2HE PHE 6 9.556 -6.502 -1.780
53 HZ PHE 6 HZ PHE 6 9.383 -4.624 -0.170
54 H GLY 7 H GLY 7 2.482 -7.544 -2.184
55 1HA GLY 7 2HA GLY 7 0.507 -8.598 -2.983
56 2HA GLY 7 1HA GLY 7 1.305 -8.850 -4.537
57 H ASN 8 H ASN 8 2.782 -9.778 -1.488
58 HA ASN 8 HA ASN 8 2.863 -12.579 -2.425
59 1HB ASN 8 2HB ASN 8 4.203 -11.078 -0.172
60 2HB ASN 8 1HB ASN 8 4.294 -12.836 -0.306
61 1HD2 ASN 8 1HD2 ASN 8 6.333 -13.298 -1.163
62 2HD2 ASN 8 2HD2 ASN 8 7.012 -12.526 -2.514
63 H GLY 9 H GLY 9 0.455 -11.005 -1.038
64 1HA GLY 9 2HA GLY 9 -1.414 -11.868 0.099
65 2HA GLY 9 1HA GLY 9 -0.519 -13.357 0.366
66 H ARG 10 H ARG 10 1.560 -10.996 1.403
67 HA ARG 10 HA ARG 10 0.394 -10.978 4.156
68 1HB ARG 10 2HB ARG 10 2.746 -11.150 5.001
69 2HB ARG 10 1HB ARG 10 2.224 -12.581 4.109
70 1HG ARG 10 2HG ARG 10 3.306 -11.687 2.075
71 2HG ARG 10 1HG ARG 10 3.870 -10.298 2.992
72 1HD ARG 10 2HD ARG 10 5.722 -11.746 3.034
73 2HD ARG 10 1HD ARG 10 4.945 -12.053 4.582
74 HE ARG 10 HE ARG 10 5.005 -13.883 2.262
75 1HH1 ARG 10 1HH2 ARG 10 3.699 -13.176 5.439
76 2HH1 ARG 10 2HH2 ARG 10 3.234 -14.816 5.712
77 1HH2 ARG 10 1HH1 ARG 10 4.371 -15.980 2.668
78 2HH2 ARG 10 2HH1 ARG 10 3.604 -16.384 4.167
79 H CYS 11 H CYS 11 0.487 -9.022 5.195
80 HA CYS 11 HA CYS 11 2.221 -6.863 4.155
81 1HB CYS 11 2HB CYS 11 0.246 -5.291 4.058
82 2HB CYS 11 1HB CYS 11 0.284 -6.505 2.789
83 H SER 12 H SER 12 1.993 -4.865 5.504
84 HA SER 12 HA SER 12 1.483 -5.602 8.351
85 1HB SER 12 2HB SER 12 3.043 -3.176 7.519
86 2HB SER 12 1HB SER 12 3.178 -4.126 8.996
87 HG SER 12 HG SER 12 4.817 -4.934 7.910
88 H SER 13 H SER 13 0.718 -3.399 5.780
89 HA SER 13 HA SER 13 -1.544 -2.330 7.344
90 1HB SER 13 2HB SER 13 -1.002 -0.011 6.782
91 2HB SER 13 1HB SER 13 0.343 -0.722 7.670
92 HG SER 13 HG SER 13 0.686 0.492 5.547
93 H ASN 14 H ASN 14 -2.758 -0.727 5.639
94 HA ASN 14 HA ASN 14 -3.590 -2.413 3.469
95 1HB ASN 14 2HB ASN 14 -4.144 0.392 4.337
96 2HB ASN 14 1HB ASN 14 -4.569 -0.055 2.685
97 1HD2 ASN 14 1HD2 ASN 14 -6.828 -0.344 2.821
98 2HD2 ASN 14 2HD2 ASN 14 -7.586 -1.398 3.915
99 H ARG 15 H ARG 15 -1.353 0.330 3.648
100 HA ARG 15 HA ARG 15 -0.967 0.588 0.811
101 1HB ARG 15 2HB ARG 15 0.794 1.387 3.142
102 2HB ARG 15 1HB ARG 15 1.098 1.850 1.467
103 1HG ARG 15 2HG ARG 15 -0.703 3.293 1.391
104 2HG ARG 15 1HG ARG 15 -1.625 2.373 2.581
105 1HD ARG 15 2HD ARG 15 -1.023 4.057 3.992
106 2HD ARG 15 1HD ARG 15 0.501 3.176 4.093
107 HE ARG 15 HE ARG 15 0.859 4.800 1.893
108 1HH1 ARG 15 1HH2 ARG 15 -0.134 5.372 5.199
109 2HH1 ARG 15 2HH2 ARG 15 0.520 6.972 5.223
110 1HH2 ARG 15 1HH1 ARG 15 1.690 6.875 1.970
111 2HH2 ARG 15 2HH1 ARG 15 1.542 7.817 3.416
112 H ASP 16 H ASP 16 0.027 -1.892 2.921
113 HA ASP 16 HA ASP 16 2.477 -2.520 1.410
114 1HB ASP 16 2HB ASP 16 1.141 -3.543 3.864
115 2HB ASP 16 1HB ASP 16 2.189 -4.655 2.984
116 H CYS 17 H CYS 17 -0.543 -2.728 0.398
117 HA CYS 17 HA CYS 17 -0.269 -5.538 -0.600
118 1HB CYS 17 2HB CYS 17 -2.755 -3.846 -0.223
119 2HB CYS 17 1HB CYS 17 -2.731 -5.450 -0.955
120 H CYS 18 H CYS 18 -1.949 -5.505 -2.764
121 HA CYS 18 HA CYS 18 -0.674 -3.456 -4.540
122 1HB CYS 18 2HB CYS 18 -1.673 -6.211 -5.312
123 2HB CYS 18 1HB CYS 18 -0.797 -5.083 -6.344
124 H GLU 19 H GLU 19 -2.125 -3.480 -6.741
125 HA GLU 19 HA GLU 19 -4.533 -2.099 -6.088
126 1HB GLU 19 2HB GLU 19 -3.076 -2.162 -8.295
127 2HB GLU 19 1HB GLU 19 -4.208 -3.432 -8.752
128 1HG GLU 19 2HG GLU 19 -5.930 -1.552 -7.783
129 2HG GLU 19 1HG GLU 19 -4.660 -0.530 -8.450
130 H LEU 20 H LEU 20 -4.074 -5.402 -7.403
131 HA LEU 20 HA LEU 20 -6.791 -6.163 -7.530
132 1HB LEU 20 2HB LEU 20 -4.202 -7.613 -7.244
133 2HB LEU 20 1HB LEU 20 -5.674 -8.517 -6.880
134 HG LEU 20 HG LEU 20 -6.492 -7.388 -9.154
135 1HD1 LEU 20 1HD1 LEU 20 -4.283 -7.670 -10.642
136 2HD1 LEU 20 2HD1 LEU 20 -3.516 -7.158 -9.139
137 3HD1 LEU 20 3HD1 LEU 20 -4.717 -6.125 -9.911
138 1HD2 LEU 20 1HD2 LEU 20 -4.811 -9.844 -8.689
139 2HD2 LEU 20 2HD2 LEU 20 -5.372 -9.451 -10.314
140 3HD2 LEU 20 3HD2 LEU 20 -6.540 -9.732 -9.023
141 H THR 21 H THR 21 -4.745 -5.724 -4.751
142 HA THR 21 HA THR 21 -7.011 -6.549 -2.993
143 HB THR 21 HB THR 21 -5.405 -7.543 -1.421
144 HG1 THR 21 1HG THR 21 -3.502 -6.868 -3.415
145 1HG2 THR 21 1HG2 THR 21 -6.358 -8.900 -3.340
146 2HG2 THR 21 2HG2 THR 21 -4.848 -9.519 -2.670
147 3HG2 THR 21 3HG2 THR 21 -4.836 -8.626 -4.190
148 HA PRO 22 HA PRO 22 -5.549 -2.345 -1.883
149 1HB PRO 22 2HB PRO 22 -8.032 -1.232 -1.672
150 2HB PRO 22 1HB PRO 22 -7.149 -1.366 -3.201
151 1HG PRO 22 2HG PRO 22 -9.505 -2.860 -2.266
152 2HG PRO 22 1HG PRO 22 -8.927 -2.581 -3.915
153 1HD PRO 22 2HD PRO 22 -8.614 -4.950 -2.346
154 2HD PRO 22 1HD PRO 22 -7.942 -4.631 -3.957
155 H VAL 23 H VAL 23 -6.825 -4.849 -0.171
156 HA VAL 23 HA VAL 23 -7.074 -3.138 2.274
157 HB VAL 23 HB VAL 23 -9.258 -4.051 1.615
158 1HG1 VAL 23 1HG1 VAL 23 -9.330 -6.675 2.164
159 2HG1 VAL 23 2HG1 VAL 23 -7.709 -6.567 1.481
160 3HG1 VAL 23 3HG1 VAL 23 -9.100 -6.041 0.537
161 1HG2 VAL 23 1HG2 VAL 23 -8.371 -5.591 4.041
162 2HG2 VAL 23 2HG2 VAL 23 -9.890 -4.737 3.772
163 3HG2 VAL 23 3HG2 VAL 23 -8.408 -3.827 4.066
164 H CYS 24 H CYS 24 -6.093 -3.890 4.139
165 HA CYS 24 HA CYS 24 -4.424 -6.358 3.874
166 1HB CYS 24 2HB CYS 24 -2.996 -4.362 3.677
167 2HB CYS 24 1HB CYS 24 -3.681 -3.698 5.154
168 H LYS 25 H LYS 25 -5.719 -7.686 5.125
169 HA LYS 25 HA LYS 25 -6.145 -6.800 7.959
170 1HB LYS 25 2HB LYS 25 -8.236 -8.176 7.943
171 2HB LYS 25 1HB LYS 25 -8.305 -6.797 6.846
172 1HG LYS 25 2HG LYS 25 -8.325 -8.109 4.978
173 2HG LYS 25 1HG LYS 25 -7.227 -9.299 5.678
174 1HD LYS 25 2HD LYS 25 -8.987 -10.330 6.926
175 2HD LYS 25 1HD LYS 25 -10.097 -9.001 6.585
176 1HE LYS 25 2HE LYS 25 -10.291 -9.610 4.295
177 2HE LYS 25 1HE LYS 25 -8.894 -10.682 4.383
178 1HZ LYS 25 1HZ LYS 25 -10.072 -12.274 5.523
179 2HZ LYS 25 2HZ LYS 25 -11.264 -11.669 4.475
180 3HZ LYS 25 3HZ LYS 25 -11.230 -11.178 6.101
181 H ARG 26 H ARG 26 -5.802 -8.383 9.546
182 HA ARG 26 HA ARG 26 -4.834 -10.296 10.486
183 1HB ARG 26 2HB ARG 26 -6.215 -11.311 8.039
184 2HB ARG 26 1HB ARG 26 -5.082 -12.392 8.848
185 1HG ARG 26 2HG ARG 26 -6.476 -12.718 10.604
186 2HG ARG 26 1HG ARG 26 -6.864 -11.002 10.724
187 1HD ARG 26 2HD ARG 26 -8.207 -11.515 8.482
188 2HD ARG 26 1HD ARG 26 -8.223 -13.148 9.148
189 HE ARG 26 HE ARG 26 -9.028 -11.610 11.281
190 1HH1 ARG 26 1HH2 ARG 26 -10.089 -11.868 7.957
191 2HH1 ARG 26 2HH2 ARG 26 -11.718 -11.430 8.340
192 1HH2 ARG 26 1HH1 ARG 26 -11.146 -11.052 11.729
193 2HH2 ARG 26 2HH1 ARG 26 -12.312 -10.974 10.450
194 H GLY 27 H GLY 27 -3.190 -8.492 8.893
195 1HA GLY 27 2HA GLY 27 -0.997 -8.397 8.073
196 2HA GLY 27 1HA GLY 27 -0.773 -9.996 8.779
197 H SER 28 H SER 28 -3.244 -9.384 6.366
198 HA SER 28 HA SER 28 -1.550 -10.626 4.266
199 1HB SER 28 2HB SER 28 -4.053 -11.748 5.452
200 2HB SER 28 1HB SER 28 -3.798 -11.946 3.720
201 HG SER 28 HG SER 28 -2.744 -13.638 4.535
202 H CYS 29 H CYS 29 -2.653 -10.441 2.076
203 HA CYS 29 HA CYS 29 -4.212 -7.887 1.987
204 1HB CYS 29 2HB CYS 29 -2.474 -9.204 -0.129
205 2HB CYS 29 1HB CYS 29 -3.383 -7.714 -0.361
206 H VAL 30 H VAL 30 -6.133 -7.810 0.802
207 HA VAL 30 HA VAL 30 -6.859 -10.093 -0.887
208 HB VAL 30 HB VAL 30 -8.974 -10.551 0.262
209 1HG1 VAL 30 1HG1 VAL 30 -6.695 -10.636 2.255
210 2HG1 VAL 30 2HG1 VAL 30 -6.849 -11.754 0.900
211 3HG1 VAL 30 3HG1 VAL 30 -8.077 -11.729 2.166
212 1HG2 VAL 30 1HG2 VAL 30 -9.246 -9.577 2.598
213 2HG2 VAL 30 2HG2 VAL 30 -9.493 -8.444 1.271
214 3HG2 VAL 30 3HG2 VAL 30 -7.978 -8.429 2.175
215 H SER 31 H SER 31 -9.120 -9.618 -1.835
216 HA SER 31 HA SER 31 -9.097 -6.794 -2.697
217 1HB SER 31 2HB SER 31 -9.127 -8.564 -4.429
218 2HB SER 31 1HB SER 31 -10.654 -9.159 -3.780
219 HG SER 31 HG SER 31 -11.401 -7.773 -5.209
220 H SER 32 H SER 32 -10.318 -5.478 -1.448
221 HA SER 32 HA SER 32 -12.998 -6.493 -0.573
222 1HB SER 32 2HB SER 32 -12.822 -5.222 1.425
223 2HB SER 32 1HB SER 32 -11.244 -5.980 1.237
224 HG SER 32 HG SER 32 -11.657 -3.478 1.559
225 H GLY 33 H GLY 33 -11.250 -3.448 -1.293
226 1HA GLY 33 2HA GLY 33 -12.062 -1.954 -3.071
227 2HA GLY 33 1HA GLY 33 -13.699 -2.516 -2.728
228 HA PRO 34 HA PRO 34 -14.057 0.874 0.144
229 1HB PRO 34 2HB PRO 34 -16.175 -0.023 1.612
230 2HB PRO 34 1HB PRO 34 -16.325 0.541 -0.058
231 1HG PRO 34 2HG PRO 34 -16.532 -2.185 1.010
232 2HG PRO 34 1HG PRO 34 -17.118 -1.530 -0.524
233 1HD PRO 34 2HD PRO 34 -14.752 -3.107 -0.070
234 2HD PRO 34 1HD PRO 34 -15.342 -2.440 -1.607
235 H GLY 35 H GLY 35 -14.830 0.860 2.797
236 1HA GLY 35 2HA GLY 35 -12.943 -0.998 4.175
237 2HA GLY 35 1HA GLY 35 -12.868 0.734 4.502
238 H LEU 36 H LEU 36 -15.005 -2.095 4.701
239 HA LEU 36 HA LEU 36 -16.182 -0.970 7.170
240 1HB LEU 36 2HB LEU 36 -17.583 -0.276 5.125
241 2HB LEU 36 1HB LEU 36 -18.000 -1.983 4.980
242 HG LEU 36 HG LEU 36 -18.277 -0.723 7.671
243 1HD1 LEU 36 1HD1 LEU 36 -20.044 -0.160 5.286
244 2HD1 LEU 36 2HD1 LEU 36 -19.354 0.991 6.429
245 3HD1 LEU 36 3HD1 LEU 36 -20.660 -0.079 6.936
246 1HD2 LEU 36 1HD2 LEU 36 -19.702 -2.827 6.030
247 2HD2 LEU 36 2HD2 LEU 36 -20.361 -2.221 7.549
248 3HD2 LEU 36 3HD2 LEU 36 -18.802 -3.045 7.531
249 H VAL 37 H VAL 37 -15.052 -2.757 8.158
250 HA VAL 37 HA VAL 37 -16.202 -5.447 7.509
251 HB VAL 37 HB VAL 37 -13.660 -5.007 9.079
252 1HG1 VAL 37 1HG1 VAL 37 -13.255 -7.300 7.885
253 2HG1 VAL 37 2HG1 VAL 37 -14.999 -7.275 7.632
254 3HG1 VAL 37 3HG1 VAL 37 -14.345 -7.233 9.270
255 1HG2 VAL 37 1HG2 VAL 37 -13.893 -5.345 6.067
256 2HG2 VAL 37 2HG2 VAL 37 -12.390 -5.295 6.987
257 3HG2 VAL 37 3HG2 VAL 37 -13.407 -3.859 6.882
258 H GLY 38 H GLY 38 -16.343 -6.895 9.497
259 1HA GLY 38 2HA GLY 38 -16.811 -7.234 11.803
260 2HA GLY 38 1HA GLY 38 -16.604 -5.502 12.072
261 H GLY 39 H GLY 39 -18.863 -7.960 10.914
262 1HA GLY 39 2HA GLY 39 -21.180 -7.018 12.044
263 2HA GLY 39 1HA GLY 39 -21.052 -6.048 10.576
264 H ILE 40 H ILE 40 -23.181 -7.832 10.938
265 HA ILE 40 HA ILE 40 -22.495 -10.102 9.117
266 HB ILE 40 HB ILE 40 -24.948 -9.791 10.875
267 1HG1 ILE 40 2HG1 ILE 40 -22.541 -11.556 11.388
268 2HG1 ILE 40 1HG1 ILE 40 -22.699 -9.946 12.094
269 1HG2 ILE 40 1HG2 ILE 40 -25.586 -11.866 10.134
270 2HG2 ILE 40 2HG2 ILE 40 -23.924 -12.425 9.947
271 3HG2 ILE 40 3HG2 ILE 40 -24.651 -11.392 8.717
272 1HD1 ILE 40 1HD1 ILE 40 -23.643 -11.269 13.764
273 2HD1 ILE 40 2HD1 ILE 40 -24.337 -12.409 12.611
274 3HD1 ILE 40 3HD1 ILE 40 -25.070 -10.821 12.831
275 H LEU 41 H LEU 41 -22.716 -7.706 7.842
276 HA LEU 41 HA LEU 41 -25.505 -7.451 6.858
277 1HB LEU 41 2HB LEU 41 -23.008 -5.812 6.331
278 2HB LEU 41 1HB LEU 41 -24.586 -5.473 5.620
279 HG LEU 41 HG LEU 41 -24.322 -5.765 8.600
280 1HD1 LEU 41 1HD1 LEU 41 -23.672 -3.518 8.886
281 2HD1 LEU 41 2HD1 LEU 41 -24.046 -3.103 7.213
282 3HD1 LEU 41 3HD1 LEU 41 -22.625 -4.078 7.583
283 1HD2 LEU 41 1HD2 LEU 41 -26.568 -5.657 7.704
284 2HD2 LEU 41 2HD2 LEU 41 -26.155 -4.263 6.708
285 3HD2 LEU 41 3HD2 LEU 41 -26.221 -4.104 8.463
286 H GLY 42 H GLY 42 -25.766 -7.274 4.429
287 1HA GLY 42 2HA GLY 42 -23.996 -8.073 2.460
288 2HA GLY 42 1HA GLY 42 -24.557 -9.596 3.154
289 H GLY 43 H GLY 43 -26.311 -6.541 2.600
290 1HA GLY 43 2HA GLY 43 -27.740 -7.300 0.283
291 2HA GLY 43 1HA GLY 43 -28.680 -7.858 1.667
292 H ILE 44 H ILE 44 -30.165 -6.418 2.359
293 HA ILE 44 HA ILE 44 -30.340 -3.737 1.387
294 HB ILE 44 HB ILE 44 -32.063 -3.457 3.188
295 1HG1 ILE 44 2HG1 ILE 44 -31.521 -6.348 3.874
296 2HG1 ILE 44 1HG1 ILE 44 -30.728 -5.039 4.752
297 1HG2 ILE 44 1HG2 ILE 44 -32.728 -4.416 1.053
298 2HG2 ILE 44 2HG2 ILE 44 -33.554 -5.286 2.346
299 3HG2 ILE 44 3HG2 ILE 44 -32.155 -6.008 1.551
300 1HD1 ILE 44 1HD1 ILE 44 -33.710 -5.508 4.488
301 2HD1 ILE 44 2HD1 ILE 44 -33.003 -4.057 5.197
302 3HD1 ILE 44 3HD1 ILE 44 -32.742 -5.626 5.958
303 H LEU 45 H LEU 45 -29.870 -1.752 2.429
304 HA LEU 45 HA LEU 45 -27.710 -1.934 4.456
305 1HB LEU 45 2HB LEU 45 -28.730 0.486 2.938
306 2HB LEU 45 1HB LEU 45 -27.252 0.393 3.896
307 HG LEU 45 HG LEU 45 -27.745 -1.475 1.576
308 1HD1 LEU 45 1HD1 LEU 45 -27.909 0.787 0.673
309 2HD1 LEU 45 2HD1 LEU 45 -26.349 0.096 0.225
310 3HD1 LEU 45 3HD1 LEU 45 -26.450 1.268 1.539
311 1HD2 LEU 45 1HD2 LEU 45 -25.327 -0.524 3.136
312 2HD2 LEU 45 2HD2 LEU 45 -25.197 -1.423 1.624
313 3HD2 LEU 45 3HD2 LEU 45 -25.961 -2.166 3.028
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