NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
5750 |
1hwv   |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* C 1 1H5' C 1 7.061 -27.628 5.541
2 2H5* C 1 2H5' C 1 7.228 -28.875 4.292
3 H4* C 1 H4' C 1 6.943 -27.203 2.518
4 H3* C 1 H3' C 1 6.905 -25.295 4.815
5 H1* C 1 H1' C 1 4.537 -26.245 1.729
6 1H4 C 1 1H4 C 1 -1.259 -24.850 3.873
7 2H4 C 1 2H4 C 1 -0.702 -24.666 5.528
8 H5 C 1 H5 C 1 1.695 -25.136 6.170
9 H6 C 1 H6 C 1 3.865 -25.650 5.272
10 H5T C 1 H5T C 1 8.719 -26.582 4.039
11 1H2* C 1 1H2' C 1 5.101 -24.210 3.797
12 2H2* C 1 2H2' C 1 5.831 -24.422 2.147
13 1H5* C 2 1H5' C 2 6.615 -25.336 -0.506
14 2H5* C 2 2H5' C 2 7.717 -24.110 -1.161
15 H4* C 2 H4' C 2 5.382 -23.789 -1.832
16 H3* C 2 H3' C 2 6.824 -21.591 -0.422
17 H1* C 2 H1' C 2 3.232 -22.410 -0.904
18 1H4 C 2 1H4 C 2 -0.154 -21.963 4.469
19 2H4 C 2 2H4 C 2 1.249 -21.717 5.506
20 H5 C 2 H5 C 2 3.746 -21.847 4.362
21 H6 C 2 H6 C 2 4.743 -22.050 2.602
22 1H2* C 2 1H2' C 2 5.251 -21.066 0.873
23 2H2* C 2 2H2' C 2 4.408 -20.485 -0.549
24 1H5* A 3 1H5' A 3 3.518 -19.479 -1.869
25 2H5* A 3 2H5' A 3 3.247 -21.083 -2.597
26 H4* A 3 H4' A 3 1.736 -19.944 -4.282
27 H3* A 3 H3' A 3 3.054 -17.618 -3.645
28 H1* A 3 H1' A 3 -0.467 -18.395 -2.357
29 H8 A 3 H8 A 3 2.402 -18.507 0.320
30 1H6 A 3 1H6 A 3 -1.893 -19.350 4.658
31 2H6 A 3 2H6 A 3 -0.217 -18.990 4.305
32 H2 A 3 H2 A 3 -3.975 -19.204 0.655
33 1H2* A 3 1H2' A 3 2.102 -17.220 -1.517
34 2H2* A 3 2H2' A 3 0.656 -16.668 -2.346
35 1H5* T 4 1H5' T 4 -2.814 -17.837 -4.389
36 2H5* T 4 2H5' T 4 -2.732 -16.415 -5.446
37 H4* T 4 H4' T 4 -4.297 -16.089 -3.547
38 H3* T 4 H3' T 4 -1.984 -14.247 -3.651
39 1H2* T 4 1H2' T 4 -2.326 -13.714 -1.558
40 2H2* T 4 2H2' T 4 -4.113 -13.583 -1.696
41 H1* T 4 H1' T 4 -4.541 -15.647 -0.999
42 H3 T 4 H3 T 4 -3.116 -16.279 3.177
43 1H5M T 4 H51 T 4 1.308 -16.068 0.332
44 2H5M T 4 H52 T 4 1.364 -15.537 2.029
45 3H5M T 4 H53 T 4 1.075 -14.356 0.729
46 H6 T 4 H6 T 4 -0.954 -15.262 -0.929
47 1H5* C 5 1H5' C 5 -6.497 -13.237 -2.959
48 2H5* C 5 2H5' C 5 -6.848 -11.596 -3.549
49 H4* C 5 H4' C 5 -7.790 -11.846 -1.257
50 H3* C 5 H3' C 5 -5.385 -10.102 -1.621
51 H1* C 5 H1' C 5 -6.956 -11.776 1.448
52 1H4 C 5 1H4 C 5 -1.519 -13.180 4.452
53 2H4 C 5 2H4 C 5 -0.529 -12.995 3.004
54 H5 C 5 H5 C 5 -1.562 -12.055 0.902
55 H6 C 5 H6 C 5 -3.819 -11.530 -0.129
56 1H2* C 5 1H2' C 5 -5.063 -9.904 0.444
57 2H2* C 5 2H2' C 5 -6.778 -9.782 0.929
58 1H5* +G 6 1H5' G 6 -8.906 -11.014 0.491
59 2H5* +G 6 2H5' G 6 -10.626 -10.622 0.339
60 H4* +G 6 H4' G 6 -9.989 -10.679 2.661
61 H3* +G 6 H3' G 6 -11.265 -8.430 1.422
62 H1* +G 6 H1' G 6 -9.025 -8.305 4.428
63 H8 +G 6 H8 G 6 -7.323 -6.674 1.411
64 H1 +G 6 H1 G 6 -4.316 -6.176 7.057
65 1H2 +G 6 1H2 G 6 -5.673 -7.133 8.597
66 1H2* +G 6 1H2' G 6 -9.560 -6.863 1.950
67 2H2* +G 6 2H2' G 6 -10.347 -7.016 3.573
68 1H5* C 7 1H5' C 7 -14.927 -6.625 4.015
69 2H5* C 7 2H5' C 7 -13.710 -5.611 3.242
70 H4* C 7 H4' C 7 -13.239 -7.366 5.727
71 H3* C 7 H3' C 7 -14.275 -4.721 5.338
72 H1* C 7 H1' C 7 -10.950 -6.036 6.893
73 1H4 C 7 1H4 C 7 -5.704 -3.042 4.646
74 2H4 C 7 2H4 C 7 -6.391 -2.995 3.030
75 H5 C 7 H5 C 7 -8.726 -3.789 2.574
76 H6 C 7 H6 C 7 -10.660 -4.791 3.625
77 1H2* C 7 1H2' C 7 -11.981 -3.900 5.071
78 2H2* C 7 2H2' C 7 -11.942 -3.968 6.868
79 1H5* T 8 1H5' T 8 -11.109 -6.691 9.979
80 2H5* T 8 2H5' T 8 -12.479 -6.263 11.028
81 H4* T 8 H4' T 8 -10.412 -5.163 11.896
82 H3* T 8 H3' T 8 -12.639 -3.606 11.257
83 1H2* T 8 1H2' T 8 -11.258 -2.187 10.084
84 2H2* T 8 2H2' T 8 -10.488 -1.707 11.614
85 H1* T 8 H1' T 8 -8.830 -3.106 11.597
86 H3 T 8 H3 T 8 -6.277 -0.689 8.610
87 1H5M T 8 H51 T 8 -11.018 -1.012 6.504
88 2H5M T 8 H52 T 8 -10.299 -2.471 5.784
89 3H5M T 8 H53 T 8 -9.616 -0.850 5.415
90 H6 T 8 H6 T 8 -10.533 -2.774 8.520
91 1H5* A 9 1H5' A 9 -10.580 -0.381 13.361
92 2H5* A 9 2H5' A 9 -9.382 -1.723 13.497
93 H4* A 9 H4' A 9 -8.707 -0.467 15.752
94 H3* A 9 H3' A 9 -11.210 0.550 15.495
95 H1* A 9 H1' A 9 -8.123 2.391 14.154
96 H8 A 9 H8 A 9 -10.515 0.924 11.335
97 1H6 A 9 1H6 A 9 -6.245 2.407 7.137
98 2H6 A 9 2H6 A 9 -7.820 1.707 7.413
99 H2 A 9 H2 A 9 -4.487 3.154 11.203
100 1H2* A 9 1H2' A 9 -10.802 1.545 13.350
101 2H2* A 9 2H2' A 9 -10.255 2.885 14.339
102 1H5* C 10 1H5' C 10 -8.179 3.025 17.033
103 2H5* C 10 2H5' C 10 -8.311 4.490 18.030
104 H4* C 10 H4' C 10 -6.862 4.705 15.942
105 H3* C 10 H3' C 10 -9.148 6.483 16.524
106 H1* C 10 H1' C 10 -6.801 5.527 13.662
107 1H4 C 10 1H4 C 10 -9.081 4.341 8.013
108 2H4 C 10 2H4 C 10 -10.707 3.962 8.571
109 H5 C 10 H5 C 10 -11.248 4.097 11.172
110 H6 C 10 H6 C 10 -10.159 4.788 13.276
111 1H2* C 10 1H2' C 10 -9.573 6.308 14.196
112 2H2* C 10 2H2' C 10 -8.072 7.324 13.924
113 1H5* C 11 1H5' C 11 -3.740 8.228 13.611
114 2H5* C 11 2H5' C 11 -4.278 9.207 14.990
115 H4* C 11 H4' C 11 -4.778 10.519 12.961
116 H3* C 11 H3' C 11 -7.092 9.368 14.323
117 H1* C 11 H1' C 11 -6.324 10.420 10.599
118 1H4 C 11 1H4 C 11 -10.695 7.062 7.692
119 2H4 C 11 2H4 C 11 -11.575 6.717 9.178
120 H5 C 11 H5 C 11 -10.827 7.602 11.337
121 H6 C 11 H6 C 11 -8.957 8.822 12.468
122 H3T C 11 H3T C 11 -7.037 11.248 15.337
123 1H2* C 11 1H2' C 11 -8.289 10.780 12.597
124 2H2* C 11 2H2' C 11 -6.737 11.679 12.437
125 1H5* G 12 1H5' G 12 -8.291 10.217 -2.724
126 2H5* G 12 2H5' G 12 -6.908 9.320 -3.397
127 H4* G 12 H4' G 12 -6.345 10.431 -1.254
128 H3* G 12 H3' G 12 -5.845 7.678 -1.782
129 H1* G 12 H1' G 12 -6.587 9.423 1.439
130 H8 G 12 H8 G 12 -9.862 7.410 0.708
131 H1 G 12 H1 G 12 -8.393 8.466 6.849
132 1H2 G 12 1H2 G 12 -6.429 9.688 6.891
133 2H2 G 12 2H2 G 12 -5.506 9.861 5.388
134 H5T G 12 H5T G 12 -9.039 8.230 -1.877
135 1H2* G 12 1H2' G 12 -7.467 7.048 -0.162
136 2H2* G 12 2H2' G 12 -6.012 7.156 0.898
137 1H5* G 13 1H5' G 13 -4.191 11.849 2.684
138 2H5* G 13 2H5' G 13 -2.719 11.530 1.767
139 H4* G 13 H4' G 13 -2.437 11.039 4.325
140 H3* G 13 H3' G 13 -1.524 9.256 2.330
141 H1* G 13 H1' G 13 -2.641 8.705 5.732
142 H8 G 13 H8 G 13 -5.024 7.147 3.155
143 H1 G 13 H1 G 13 -6.527 5.489 9.129
144 1H2 G 13 1H2 G 13 -5.109 6.589 10.554
145 2H2 G 13 2H2 G 13 -3.876 7.692 9.953
146 1H2* G 13 1H2' G 13 -2.900 7.580 3.162
147 2H2* G 13 2H2' G 13 -1.707 7.542 4.499
148 1H5* T 14 1H5' T 14 0.177 9.246 7.018
149 2H5* T 14 2H5' T 14 1.913 8.939 6.810
150 H4* T 14 H4' T 14 1.101 7.408 8.702
151 H3* T 14 H3' T 14 2.308 6.455 6.394
152 1H2* T 14 1H2' T 14 0.738 4.942 6.097
153 2H2* T 14 2H2' T 14 1.335 4.201 7.676
154 H1* T 14 H1' T 14 -0.177 5.097 8.950
155 H3 T 14 H3 T 14 -4.244 3.127 8.229
156 1H5M T 14 H51 T 14 -3.062 5.542 3.700
157 2H5M T 14 H52 T 14 -4.055 4.073 3.619
158 3H5M T 14 H53 T 14 -2.265 3.996 3.456
159 H6 T 14 H6 T 14 -1.128 5.392 5.401
160 1H5* A 15 1H5' A 15 1.983 4.934 10.693
161 2H5* A 15 2H5' A 15 3.326 4.025 11.417
162 H4* A 15 H4' A 15 1.088 3.021 12.011
163 H3* A 15 H3' A 15 3.170 1.489 10.667
164 H1* A 15 H1' A 15 -0.501 1.092 10.995
165 H8 A 15 H8 A 15 0.607 1.474 7.377
166 1H6 A 15 1H6 A 15 -5.349 -0.096 6.152
167 2H6 A 15 2H6 A 15 -3.804 0.200 5.372
168 H2 A 15 H2 A 15 -4.692 0.086 10.549
169 1H2* A 15 1H2' A 15 1.674 0.512 9.191
170 2H2* A 15 2H2' A 15 0.830 -0.258 10.514
171 1H5* G 16 1H5' G 16 -1.608 -0.450 14.123
172 2H5* G 16 2H5' G 16 -0.279 -1.334 14.889
173 H4* G 16 H4' G 16 -1.966 -2.906 14.186
174 H3* G 16 H3' G 16 0.736 -3.120 13.327
175 H1* G 16 H1' G 16 -2.229 -4.345 11.705
176 H8 G 16 H8 G 16 -0.555 -2.024 9.159
177 H1 G 16 H1 G 16 -6.397 -3.848 7.312
178 1H2 G 16 1H2 G 16 -7.418 -4.934 8.979
179 2H2 G 16 2H2 G 16 -6.649 -5.181 10.542
180 1H2* G 16 1H2' G 16 0.164 -2.663 11.183
181 2H2* G 16 2H2' G 16 -0.007 -4.452 11.154
182 1H5* C 17 1H5' C 17 -1.986 -6.280 15.265
183 2H5* C 17 2H5' C 17 -1.597 -7.905 15.863
184 H4* C 17 H4' C 17 -3.234 -8.104 14.143
185 H3* C 17 H3' C 17 -0.837 -9.441 14.069
186 H1* C 17 H1' C 17 -3.208 -8.298 11.372
187 1H4 C 17 1H4 C 17 -2.214 -4.950 6.133
188 2H4 C 17 2H4 C 17 -0.513 -4.741 6.500
189 H5 C 17 H5 C 17 0.537 -5.740 8.441
190 H6 C 17 H6 C 17 0.095 -6.972 10.583
191 1H2* C 17 1H2' C 17 -0.281 -8.233 12.196
192 2H2* C 17 2H2' C 17 -1.098 -9.690 11.352
193 1H5* G 18 1H5' G 18 -4.955 -11.587 13.776
194 2H5* G 18 2H5' G 18 -4.495 -12.825 14.955
195 H4* G 18 H4' G 18 -6.646 -13.209 13.817
196 H3* G 18 H3' G 18 -4.867 -15.191 14.364
197 H1* G 18 H1' G 18 -6.380 -14.850 10.628
198 H8 G 18 H8 G 18 -2.496 -13.958 11.237
199 H1 G 18 H1 G 18 -4.435 -13.489 5.200
200 1H2 G 18 1H2 G 18 -6.641 -13.627 5.074
201 2H2 G 18 2H2 G 18 -7.620 -14.220 6.432
202 1H2* G 18 1H2' G 18 -3.964 -15.607 12.250
203 2H2* G 18 2H2' G 18 -5.457 -16.506 11.954
204 1H5* A 19 1H5' A 19 -9.531 -14.970 10.763
205 2H5* A 19 2H5' A 19 -10.281 -16.333 11.623
206 H4* A 19 H4' A 19 -10.170 -16.784 9.270
207 H3* A 19 H3' A 19 -8.494 -18.471 11.091
208 H1* A 19 H1' A 19 -8.177 -17.531 7.249
209 H8 A 19 H8 A 19 -5.375 -18.212 9.834
210 1H6 A 19 1H6 A 19 -1.624 -16.654 5.125
211 2H6 A 19 2H6 A 19 -1.694 -17.253 6.772
212 H2 A 19 H2 A 19 -5.887 -16.149 3.807
213 1H2* A 19 1H2' A 19 -7.356 -19.380 9.455
214 2H2* A 19 2H2' A 19 -8.758 -19.458 8.372
215 1H5* T 20 1H5' T 20 -10.759 -17.601 6.859
216 2H5* T 20 2H5' T 20 -12.164 -18.628 6.480
217 H4* T 20 H4' T 20 -10.680 -18.531 4.553
218 H3* T 20 H3' T 20 -11.253 -21.004 5.926
219 1H2* T 20 1H2' T 20 -9.046 -21.814 5.656
220 2H2* T 20 2H2' T 20 -9.569 -21.825 3.959
221 H1* T 20 H1' T 20 -8.535 -19.794 3.449
222 H3 T 20 H3 T 20 -4.068 -19.438 3.695
223 1H5M T 20 H51 T 20 -5.510 -22.155 7.948
224 2H5M T 20 H52 T 20 -5.665 -20.530 8.612
225 3H5M T 20 H53 T 20 -4.058 -21.123 8.114
226 H6 T 20 H6 T 20 -7.470 -20.831 6.758
227 1H5* G 21 1H5' G 21 -9.716 -19.603 0.160
228 2H5* G 21 2H5' G 21 -10.873 -20.879 -0.257
229 H4* G 21 H4' G 21 -8.781 -21.327 -1.379
230 H3* G 21 H3' G 21 -9.987 -23.229 0.193
231 H1* G 21 H1' G 21 -6.432 -22.918 -0.475
232 H8 G 21 H8 G 21 -6.964 -22.331 3.108
233 H1 G 21 H1 G 21 -0.794 -22.232 1.529
234 1H2 G 21 1H2 G 21 -0.638 -22.264 -0.719
235 2H2 G 21 2H2 G 21 -2.070 -22.295 -1.758
236 1H2* G 21 1H2' G 21 -8.232 -23.152 1.765
237 2H2* G 21 2H2' G 21 -7.451 -24.312 0.659
238 1H5* G 22 1H5' G 22 -7.342 -23.625 -3.762
239 2H5* G 22 2H5' G 22 -8.116 -24.977 -4.617
240 H4* G 22 H4' G 22 -5.863 -24.454 -5.537
241 H3* G 22 H3' G 22 -6.607 -27.031 -5.270
242 H1* G 22 H1' G 22 -3.227 -25.928 -3.777
243 H8 G 22 H8 G 22 -6.093 -25.575 -1.207
244 H1 G 22 H1 G 22 -0.219 -25.312 1.307
245 1H2 G 22 1H2 G 22 1.298 -25.480 -0.379
246 2H2 G 22 2H2 G 22 0.779 -25.612 -2.053
247 H3T G 22 H3T G 22 -4.158 -25.755 -5.797
248 1H2* G 22 1H2' G 22 -5.867 -27.017 -2.857
249 2H2* G 22 2H2' G 22 -4.560 -27.838 -3.788
250 1H1 BPI 25 H1 BPH 1 -7.095 -9.583 7.689
251 H2 BPI 25 H2 BPH 1 -7.845 -7.435 9.873
252 2HO BPI 25 HO2 BPH 1 -8.667 -7.348 7.430
253 H3 BPI 25 H3 BPH 1 -9.200 -9.162 10.863
254 3HO BPI 25 HO3 BPH 1 -9.532 -10.149 8.604
255 H4 BPI 25 H4 BPH 1 -7.466 -10.149 11.849
256 4HO BPI 25 HO4 BPH 1 -6.420 -8.353 12.432
257 H5 BPI 25 H5 BPH 1 -5.285 -11.118 12.001
258 H6 BPI 25 H6 BPH 1 -3.177 -11.744 10.968
259 H7 BPI 25 H7 BPH 1 -1.456 -11.357 9.202
260 H8 BPI 25 H8 BPH 1 -0.757 -10.044 7.282
261 H9 BPI 25 H9 BPH 1 -1.389 -9.402 4.911
262 H10 BPI 25 H10 BPH 1 -3.181 -9.155 3.177
263 H11 BPI 25 H11 BPH 1 -5.658 -9.584 3.965
264 H12 BPI 25 H12 BPH 1 -6.162 -10.086 6.047
Start of MODEL 2
1 1H5* C 1 1H5' C 1 8.226 -28.512 3.152
2 2H5* C 1 2H5' C 1 6.764 -28.552 4.139
3 H4* C 1 H4' C 1 7.074 -27.438 1.315
4 H3* C 1 H3' C 1 6.942 -26.065 3.952
5 H1* C 1 H1' C 1 4.865 -26.079 0.513
6 1H4 C 1 1H4 C 1 -1.072 -24.841 2.297
7 2H4 C 1 2H4 C 1 -0.708 -25.040 4.005
8 H5 C 1 H5 C 1 1.580 -25.864 4.765
9 H6 C 1 H6 C 1 3.795 -26.309 3.999
10 H5T C 1 H5T C 1 5.837 -29.753 2.309
11 1H2* C 1 1H2' C 1 5.265 -24.677 3.091
12 2H2* C 1 2H2' C 1 6.148 -24.514 1.526
13 1H5* C 2 1H5' C 2 7.765 -24.566 -0.166
14 2H5* C 2 2H5' C 2 8.835 -23.169 -0.435
15 H4* C 2 H4' C 2 6.743 -23.044 -1.776
16 H3* C 2 H3' C 2 7.608 -20.940 0.077
17 H1* C 2 H1' C 2 4.176 -21.856 -1.138
18 1H4 C 2 1H4 C 2 0.118 -22.309 3.792
19 2H4 C 2 2H4 C 2 1.377 -22.331 5.014
20 H5 C 2 H5 C 2 3.998 -22.390 4.162
21 H6 C 2 H6 C 2 5.212 -22.258 2.487
22 1H2* C 2 1H2' C 2 5.808 -20.758 1.187
23 2H2* C 2 2H2' C 2 5.186 -19.955 -0.278
24 1H5* A 3 1H5' A 3 3.156 -21.114 -3.672
25 2H5* A 3 2H5' A 3 3.728 -19.724 -4.609
26 H4* A 3 H4' A 3 1.478 -19.516 -4.028
27 H3* A 3 H3' A 3 3.356 -17.475 -3.326
28 H1* A 3 H1' A 3 0.016 -18.319 -1.835
29 H8 A 3 H8 A 3 2.816 -18.596 0.820
30 1H6 A 3 1H6 A 3 -1.819 -19.134 4.923
31 2H6 A 3 2H6 A 3 -0.086 -18.929 4.739
32 H2 A 3 H2 A 3 -3.587 -18.889 0.854
33 1H2* A 3 1H2' A 3 2.679 -17.291 -1.033
34 2H2* A 3 2H2' A 3 1.185 -16.635 -1.659
35 1H5* T 4 1H5' T 4 -1.122 -17.063 -4.797
36 2H5* T 4 2H5' T 4 -1.897 -15.805 -5.768
37 H4* T 4 H4' T 4 -3.226 -16.193 -3.866
38 H3* T 4 H3' T 4 -1.826 -13.586 -3.792
39 1H2* T 4 1H2' T 4 -1.942 -13.540 -1.636
40 2H2* T 4 2H2' T 4 -3.753 -13.596 -1.643
41 H1* T 4 H1' T 4 -3.858 -15.785 -1.398
42 H3 T 4 H3 T 4 -2.850 -16.216 2.938
43 1H5M T 4 H51 T 4 1.632 -14.973 2.195
44 2H5M T 4 H52 T 4 1.367 -13.896 0.799
45 3H5M T 4 H53 T 4 1.784 -15.599 0.534
46 H6 T 4 H6 T 4 -0.444 -14.918 -0.967
47 1H5* C 5 1H5' C 5 -6.505 -11.866 -3.552
48 2H5* C 5 2H5' C 5 -4.921 -12.087 -2.785
49 H4* C 5 H4' C 5 -7.604 -12.119 -1.320
50 H3* C 5 H3' C 5 -5.269 -10.229 -1.525
51 H1* C 5 H1' C 5 -6.914 -12.003 1.440
52 1H4 C 5 1H4 C 5 -1.511 -13.203 4.617
53 2H4 C 5 2H4 C 5 -0.482 -12.933 3.210
54 H5 C 5 H5 C 5 -1.492 -12.053 1.059
55 H6 C 5 H6 C 5 -3.722 -11.619 -0.029
56 1H2* C 5 1H2' C 5 -5.048 -10.052 0.530
57 2H2* C 5 2H2' C 5 -6.773 -9.984 0.963
58 1H5* +G 6 1H5' G 6 -9.030 -11.233 0.364
59 2H5* +G 6 2H5' G 6 -10.724 -10.779 0.100
60 H4* +G 6 H4' G 6 -10.209 -10.809 2.437
61 H3* +G 6 H3' G 6 -11.051 -8.319 1.054
62 H1* +G 6 H1' G 6 -9.129 -8.753 4.330
63 H8 +G 6 H8 G 6 -7.453 -6.918 1.394
64 H1 +G 6 H1 G 6 -4.527 -6.439 7.071
65 1H2 +G 6 1H2 G 6 -5.880 -7.387 8.585
66 1H2* +G 6 1H2' G 6 -9.657 -6.930 2.142
67 2H2* +G 6 2H2' G 6 -10.478 -7.333 3.681
68 1H5* C 7 1H5' C 7 -12.259 -8.975 5.375
69 2H5* C 7 2H5' C 7 -13.868 -8.331 5.770
70 H4* C 7 H4' C 7 -12.219 -7.683 7.470
71 H3* C 7 H3' C 7 -13.835 -5.794 5.979
72 H1* C 7 H1' C 7 -10.426 -5.625 7.887
73 1H4 C 7 1H4 C 7 -5.420 -3.055 5.033
74 2H4 C 7 2H4 C 7 -6.179 -3.107 3.443
75 H5 C 7 H5 C 7 -8.439 -4.162 3.135
76 H6 C 7 H6 C 7 -10.280 -5.154 4.317
77 1H2* C 7 1H2' C 7 -11.826 -4.431 5.535
78 2H2* C 7 2H2' C 7 -11.915 -4.047 7.278
79 1H5* T 8 1H5' T 8 -12.188 -5.515 10.438
80 2H5* T 8 2H5' T 8 -13.457 -4.734 11.413
81 H4* T 8 H4' T 8 -11.203 -4.145 12.347
82 H3* T 8 H3' T 8 -13.085 -2.247 11.623
83 1H2* T 8 1H2' T 8 -11.583 -1.326 10.133
84 2H2* T 8 2H2' T 8 -10.733 -0.625 11.546
85 H1* T 8 H1' T 8 -9.275 -2.210 11.849
86 H3 T 8 H3 T 8 -6.486 -0.584 8.479
87 1H5M T 8 H51 T 8 -9.905 -1.146 5.308
88 2H5M T 8 H52 T 8 -11.289 -1.021 6.426
89 3H5M T 8 H53 T 8 -10.657 -2.616 6.008
90 H6 T 8 H6 T 8 -10.912 -2.313 8.746
91 1H5* A 9 1H5' A 9 -10.631 1.043 12.933
92 2H5* A 9 2H5' A 9 -9.496 -0.320 13.292
93 H4* A 9 H4' A 9 -8.652 1.337 15.214
94 H3* A 9 H3' A 9 -11.097 2.442 14.812
95 H1* A 9 H1' A 9 -7.967 3.762 13.036
96 H8 A 9 H8 A 9 -10.480 1.853 10.656
97 1H6 A 9 1H6 A 9 -6.218 2.156 6.199
98 2H6 A 9 2H6 A 9 -7.806 1.581 6.634
99 H2 A 9 H2 A 9 -4.379 3.697 10.004
100 1H2* A 9 1H2' A 9 -10.714 2.945 12.488
101 2H2* A 9 2H2' A 9 -9.991 4.418 13.168
102 1H5* C 10 1H5' C 10 -7.927 5.198 15.775
103 2H5* C 10 2H5' C 10 -8.123 6.871 16.337
104 H4* C 10 H4' C 10 -6.834 6.679 14.172
105 H3* C 10 H3' C 10 -9.340 8.206 14.372
106 H1* C 10 H1' C 10 -6.908 6.689 11.766
107 1H4 C 10 1H4 C 10 -9.178 4.205 6.613
108 2H4 C 10 2H4 C 10 -10.817 4.010 7.225
109 H5 C 10 H5 C 10 -11.379 4.806 9.719
110 H6 C 10 H6 C 10 -10.322 5.896 11.594
111 1H2* C 10 1H2' C 10 -9.702 7.557 12.126
112 2H2* C 10 2H2' C 10 -8.196 8.467 11.641
113 1H5* C 11 1H5' C 11 -3.872 8.645 11.106
114 2H5* C 11 2H5' C 11 -4.048 10.049 12.165
115 H4* C 11 H4' C 11 -4.645 10.898 10.004
116 H3* C 11 H3' C 11 -7.028 10.362 11.605
117 H1* C 11 H1' C 11 -6.290 10.494 7.762
118 1H4 C 11 1H4 C 11 -10.888 6.818 5.768
119 2H4 C 11 2H4 C 11 -11.825 6.952 7.255
120 H5 C 11 H5 C 11 -11.011 8.318 9.132
121 H6 C 11 H6 C 11 -9.034 9.680 9.934
122 H3T C 11 H3T C 11 -5.739 11.718 12.575
123 1H2* C 11 1H2' C 11 -8.112 11.516 9.663
124 2H2* C 11 2H2' C 11 -6.475 12.174 9.281
125 1H5* G 12 1H5' G 12 -8.251 7.529 -5.101
126 2H5* G 12 2H5' G 12 -6.851 6.533 -5.549
127 H4* G 12 H4' G 12 -6.335 8.079 -3.681
128 H3* G 12 H3' G 12 -5.785 5.285 -3.608
129 H1* G 12 H1' G 12 -6.591 7.641 -0.841
130 H8 G 12 H8 G 12 -9.842 5.500 -1.162
131 H1 G 12 H1 G 12 -8.447 7.876 4.621
132 1H2 G 12 1H2 G 12 -6.472 9.074 4.400
133 2H2 G 12 2H2 G 12 -5.545 8.928 2.899
134 H5T G 12 H5T G 12 -8.994 5.761 -3.857
135 1H2* G 12 1H2' G 12 -7.431 4.976 -1.917
136 2H2* G 12 2H2' G 12 -5.994 5.317 -0.886
137 1H5* G 13 1H5' G 13 -4.198 10.315 -0.076
138 2H5* G 13 2H5' G 13 -2.722 9.849 -0.928
139 H4* G 13 H4' G 13 -2.429 9.886 1.678
140 H3* G 13 H3' G 13 -1.495 7.734 0.091
141 H1* G 13 H1' G 13 -2.610 7.888 3.532
142 H8 G 13 H8 G 13 -4.992 5.846 1.318
143 H1 G 13 H1 G 13 -6.589 5.500 7.487
144 1H2 G 13 1H2 G 13 -5.150 6.866 8.663
145 2H2 G 13 2H2 G 13 -3.859 7.742 7.853
146 1H2* G 13 1H2' G 13 -2.865 6.258 1.245
147 2H2* G 13 2H2' G 13 -1.674 6.493 2.566
148 1H5* T 14 1H5' T 14 0.599 8.679 4.604
149 2H5* T 14 2H5' T 14 2.295 8.202 4.360
150 H4* T 14 H4' T 14 1.431 7.165 6.539
151 H3* T 14 H3' T 14 2.388 5.637 4.314
152 1H2* T 14 1H2' T 14 0.875 4.097 4.538
153 2H2* T 14 2H2' T 14 1.503 3.777 6.222
154 H1* T 14 H1' T 14 0.049 5.033 7.268
155 H3 T 14 H3 T 14 -4.114 3.148 7.150
156 1H5M T 14 H51 T 14 -2.305 2.786 2.227
157 2H5M T 14 H52 T 14 -3.082 4.364 2.150
158 3H5M T 14 H53 T 14 -4.077 2.937 2.459
159 H6 T 14 H6 T 14 -1.006 4.530 3.786
160 1H5* A 15 1H5' A 15 1.447 5.407 9.926
161 2H5* A 15 2H5' A 15 2.975 4.737 10.526
162 H4* A 15 H4' A 15 0.999 3.430 11.309
163 H3* A 15 H3' A 15 3.137 2.153 9.763
164 H1* A 15 H1' A 15 -0.458 1.315 10.517
165 H8 A 15 H8 A 15 0.441 1.195 6.812
166 1H6 A 15 1H6 A 15 -5.553 -0.431 6.078
167 2H6 A 15 2H6 A 15 -4.029 -0.203 5.238
168 H2 A 15 H2 A 15 -4.722 0.537 10.417
169 1H2* A 15 1H2' A 15 1.686 0.743 8.668
170 2H2* A 15 2H2' A 15 1.035 0.104 10.149
171 1H5* G 16 1H5' G 16 0.302 0.209 13.504
172 2H5* G 16 2H5' G 16 1.479 -0.863 14.289
173 H4* G 16 H4' G 16 -0.644 -2.013 14.242
174 H3* G 16 H3' G 16 1.701 -3.036 13.301
175 H1* G 16 H1' G 16 -1.605 -3.803 12.164
176 H8 G 16 H8 G 16 0.036 -2.089 9.149
177 H1 G 16 H1 G 16 -5.983 -3.873 7.881
178 1H2 G 16 1H2 G 16 -6.969 -4.579 9.724
179 2H2 G 16 2H2 G 16 -6.070 -4.797 11.229
180 1H2* G 16 1H2' G 16 0.920 -2.792 10.978
181 2H2* G 16 2H2' G 16 0.401 -4.482 11.287
182 1H5* C 17 1H5' C 17 -1.841 -5.827 14.870
183 2H5* C 17 2H5' C 17 -1.211 -7.338 15.573
184 H4* C 17 H4' C 17 -3.468 -7.662 14.610
185 H3* C 17 H3' C 17 -1.478 -9.366 14.378
186 H1* C 17 H1' C 17 -3.714 -8.390 11.556
187 1H4 C 17 1H4 C 17 -2.445 -5.170 6.242
188 2H4 C 17 2H4 C 17 -0.746 -5.013 6.634
189 H5 C 17 H5 C 17 0.222 -6.018 8.628
190 H6 C 17 H6 C 17 -0.317 -7.189 10.769
191 1H2* C 17 1H2' C 17 -0.805 -8.298 12.462
192 2H2* C 17 2H2' C 17 -1.649 -9.788 11.698
193 1H5* G 18 1H5' G 18 -4.822 -13.950 15.060
194 2H5* G 18 2H5' G 18 -3.889 -14.125 13.564
195 H4* G 18 H4' G 18 -6.866 -13.569 13.756
196 H3* G 18 H3' G 18 -5.910 -16.042 14.145
197 H1* G 18 H1' G 18 -6.684 -14.987 10.474
198 H8 G 18 H8 G 18 -2.857 -14.188 11.336
199 H1 G 18 H1 G 18 -4.436 -13.747 5.182
200 1H2 G 18 1H2 G 18 -6.647 -13.968 4.957
201 2H2 G 18 2H2 G 18 -7.632 -14.666 6.261
202 1H2* G 18 1H2' G 18 -4.430 -15.933 12.261
203 2H2* G 18 2H2' G 18 -5.751 -16.885 11.539
204 1H5* A 19 1H5' A 19 -9.542 -15.898 10.604
205 2H5* A 19 2H5' A 19 -10.489 -17.331 11.062
206 H4* A 19 H4' A 19 -10.377 -17.260 8.633
207 H3* A 19 H3' A 19 -9.147 -19.431 10.109
208 H1* A 19 H1' A 19 -8.333 -17.828 6.543
209 H8 A 19 H8 A 19 -5.707 -18.466 9.313
210 1H6 A 19 1H6 A 19 -1.592 -16.587 5.027
211 2H6 A 19 2H6 A 19 -1.794 -17.159 6.672
212 H2 A 19 H2 A 19 -5.734 -16.319 3.297
213 1H2* A 19 1H2' A 19 -7.501 -19.771 8.691
214 2H2* A 19 2H2' A 19 -8.652 -19.935 7.354
215 1H5* T 20 1H5' T 20 -10.826 -18.799 6.319
216 2H5* T 20 2H5' T 20 -12.108 -19.872 5.680
217 H4* T 20 H4' T 20 -10.730 -18.878 3.828
218 H3* T 20 H3' T 20 -11.205 -21.650 4.213
219 1H2* T 20 1H2' T 20 -8.893 -22.245 4.170
220 2H2* T 20 2H2' T 20 -9.202 -21.908 2.460
221 H1* T 20 H1' T 20 -8.312 -19.730 2.543
222 H3 T 20 H3 T 20 -3.875 -19.489 3.563
223 1H5M T 20 H51 T 20 -4.487 -21.894 7.531
224 2H5M T 20 H52 T 20 -5.894 -22.857 7.008
225 3H5M T 20 H53 T 20 -6.146 -21.345 7.899
226 H6 T 20 H6 T 20 -7.673 -21.372 5.729
227 1H5* G 21 1H5' G 21 -8.973 -18.660 -0.684
228 2H5* G 21 2H5' G 21 -10.043 -19.775 -1.548
229 H4* G 21 H4' G 21 -7.842 -19.912 -2.514
230 H3* G 21 H3' G 21 -9.164 -22.162 -1.651
231 H1* G 21 H1' G 21 -5.580 -21.724 -1.815
232 H8 G 21 H8 G 21 -6.512 -21.945 1.751
233 H1 G 21 H1 G 21 -0.197 -21.870 0.869
234 1H2 G 21 1H2 G 21 0.207 -21.357 -1.328
235 2H2 G 21 2H2 G 21 -1.122 -21.229 -2.475
236 1H2* G 21 1H2' G 21 -7.578 -22.455 0.104
237 2H2* G 21 2H2' G 21 -6.685 -23.343 -1.168
238 1H5* G 22 1H5' G 22 -6.259 -21.480 -5.314
239 2H5* G 22 2H5' G 22 -6.875 -22.536 -6.603
240 H4* G 22 H4' G 22 -4.565 -21.725 -7.062
241 H3* G 22 H3' G 22 -5.192 -24.276 -7.677
242 H1* G 22 H1' G 22 -2.066 -23.662 -5.518
243 H8 G 22 H8 G 22 -5.214 -24.023 -3.314
244 H1 G 22 H1 G 22 0.313 -24.719 -0.173
245 1H2 G 22 1H2 G 22 2.013 -24.463 -1.641
246 2H2 G 22 2H2 G 22 1.720 -24.024 -3.319
247 H3T G 22 H3T G 22 -2.767 -22.869 -7.465
248 1H2* G 22 1H2' G 22 -4.757 -24.950 -5.276
249 2H2* G 22 2H2' G 22 -3.327 -25.485 -6.237
250 1H1 BPI 25 H1 BPH 1 -7.331 -9.768 7.685
251 H2 BPI 25 H2 BPH 1 -7.975 -7.667 9.964
252 2HO BPI 25 HO2 BPH 1 -8.955 -6.925 8.138
253 H3 BPI 25 H3 BPH 1 -9.551 -9.326 10.787
254 3HO BPI 25 HO3 BPH 1 -9.844 -10.091 8.431
255 H4 BPI 25 H4 BPH 1 -7.922 -10.446 11.815
256 4HO BPI 25 HO4 BPH 1 -6.920 -8.659 12.541
257 H5 BPI 25 H5 BPH 1 -5.717 -11.348 12.123
258 H6 BPI 25 H6 BPH 1 -3.542 -11.968 11.211
259 H7 BPI 25 H7 BPH 1 -1.726 -11.528 9.553
260 H8 BPI 25 H8 BPH 1 -0.947 -10.238 7.653
261 H9 BPI 25 H9 BPH 1 -1.475 -9.580 5.238
262 H10 BPI 25 H10 BPH 1 -3.190 -9.336 3.423
263 H11 BPI 25 H11 BPH 1 -5.676 -9.864 4.058
264 H12 BPI 25 H12 BPH 1 -6.278 -10.390 6.123
Start of MODEL 3
1 1H5* C 1 1H5' C 1 8.276 -27.932 3.491
2 2H5* C 1 2H5' C 1 9.464 -26.685 3.894
3 H4* C 1 H4' C 1 8.233 -26.186 1.804
4 H3* C 1 H3' C 1 7.998 -24.345 4.162
5 H1* C 1 H1' C 1 5.880 -25.181 0.859
6 1H4 C 1 1H4 C 1 -0.130 -24.414 2.797
7 2H4 C 1 2H4 C 1 0.333 -24.311 4.489
8 H5 C 1 H5 C 1 2.708 -24.795 5.205
9 H6 C 1 H6 C 1 4.944 -25.063 4.375
10 H5T C 1 H5T C 1 6.860 -26.930 5.012
11 1H2* C 1 1H2' C 1 6.131 -23.333 3.190
12 2H2* C 1 2H2' C 1 6.958 -23.285 1.587
13 1H5* C 2 1H5' C 2 7.605 -24.063 -1.169
14 2H5* C 2 2H5' C 2 8.676 -22.757 -1.717
15 H4* C 2 H4' C 2 6.381 -22.415 -2.373
16 H3* C 2 H3' C 2 7.691 -20.424 -0.563
17 H1* C 2 H1' C 2 4.114 -21.250 -1.446
18 1H4 C 2 1H4 C 2 0.549 -21.516 3.858
19 2H4 C 2 2H4 C 2 1.924 -21.300 4.933
20 H5 C 2 H5 C 2 4.406 -21.222 3.885
21 H6 C 2 H6 C 2 5.489 -21.151 2.099
22 1H2* C 2 1H2' C 2 5.965 -19.858 0.523
23 2H2* C 2 2H2' C 2 5.279 -19.276 -0.992
24 1H5* A 3 1H5' A 3 3.312 -20.560 -4.360
25 2H5* A 3 2H5' A 3 3.893 -19.177 -5.304
26 H4* A 3 H4' A 3 1.652 -18.934 -4.730
27 H3* A 3 H3' A 3 3.622 -16.984 -3.768
28 H1* A 3 H1' A 3 0.066 -17.835 -2.577
29 H8 A 3 H8 A 3 2.931 -17.826 0.023
30 1H6 A 3 1H6 A 3 -1.366 -19.074 4.293
31 2H6 A 3 2H6 A 3 0.295 -18.600 4.003
32 H2 A 3 H2 A 3 -3.379 -18.973 0.279
33 1H2* A 3 1H2' A 3 2.566 -16.531 -1.773
34 2H2* A 3 2H2' A 3 1.083 -16.061 -2.600
35 1H5* T 4 1H5' T 4 -0.681 -16.483 -4.848
36 2H5* T 4 2H5' T 4 -1.145 -15.015 -5.731
37 H4* T 4 H4' T 4 -2.919 -15.784 -4.164
38 H3* T 4 H3' T 4 -1.688 -13.112 -3.820
39 1H2* T 4 1H2' T 4 -1.922 -13.184 -1.669
40 2H2* T 4 2H2' T 4 -3.722 -13.325 -1.793
41 H1* T 4 H1' T 4 -3.763 -15.566 -1.655
42 H3 T 4 H3 T 4 -2.680 -16.133 2.749
43 1H5M T 4 H51 T 4 1.795 -14.845 1.930
44 2H5M T 4 H52 T 4 1.875 -15.330 0.226
45 3H5M T 4 H53 T 4 1.475 -13.660 0.632
46 H6 T 4 H6 T 4 -0.394 -14.621 -1.144
47 1H5* C 5 1H5' C 5 -7.219 -14.448 -2.150
48 2H5* C 5 2H5' C 5 -7.634 -12.950 -3.008
49 H4* C 5 H4' C 5 -8.127 -12.707 -0.579
50 H3* C 5 H3' C 5 -5.870 -10.984 -1.535
51 H1* C 5 H1' C 5 -7.078 -12.377 1.851
52 1H4 C 5 1H4 C 5 -1.449 -13.157 4.637
53 2H4 C 5 2H4 C 5 -0.516 -12.714 3.208
54 H5 C 5 H5 C 5 -1.711 -11.970 1.117
55 H6 C 5 H6 C 5 -4.020 -11.750 0.124
56 1H2* C 5 1H2' C 5 -5.547 -10.365 0.511
57 2H2* C 5 2H2' C 5 -7.250 -10.461 1.023
58 1H5* +G 6 1H5' G 6 -9.682 -10.970 -0.169
59 2H5* +G 6 2H5' G 6 -11.305 -10.298 -0.331
60 H4* +G 6 H4' G 6 -10.748 -10.667 1.960
61 H3* +G 6 H3' G 6 -11.391 -8.004 0.877
62 H1* +G 6 H1' G 6 -9.476 -8.895 4.116
63 H8 +G 6 H8 G 6 -7.648 -7.186 1.265
64 H1 +G 6 H1 G 6 -4.940 -6.561 7.024
65 1H2 +G 6 1H2 G 6 -6.397 -7.364 8.538
66 1H2* +G 6 1H2' G 6 -9.823 -6.890 2.070
67 2H2* +G 6 2H2' G 6 -10.705 -7.336 3.585
68 1H5* C 7 1H5' C 7 -12.578 -8.827 5.127
69 2H5* C 7 2H5' C 7 -14.123 -8.083 5.595
70 H4* C 7 H4' C 7 -12.380 -7.604 7.262
71 H3* C 7 H3' C 7 -13.885 -5.551 5.833
72 H1* C 7 H1' C 7 -10.433 -5.713 7.698
73 1H4 C 7 1H4 C 7 -5.434 -3.165 4.872
74 2H4 C 7 2H4 C 7 -6.168 -3.226 3.266
75 H5 C 7 H5 C 7 -8.475 -4.187 2.958
76 H6 C 7 H6 C 7 -10.349 -5.152 4.169
77 1H2* C 7 1H2' C 7 -11.792 -4.307 5.448
78 2H2* C 7 2H2' C 7 -11.829 -4.017 7.211
79 1H5* T 8 1H5' T 8 -11.978 -5.628 10.074
80 2H5* T 8 2H5' T 8 -13.197 -4.949 11.180
81 H4* T 8 H4' T 8 -10.904 -4.562 12.124
82 H3* T 8 H3' T 8 -12.744 -2.547 11.726
83 1H2* T 8 1H2' T 8 -11.305 -1.543 10.227
84 2H2* T 8 2H2' T 8 -10.409 -0.923 11.656
85 H1* T 8 H1' T 8 -8.965 -2.538 11.821
86 H3 T 8 H3 T 8 -6.264 -0.641 8.499
87 1H5M T 8 H51 T 8 -11.104 -1.013 6.538
88 2H5M T 8 H52 T 8 -9.753 -1.058 5.379
89 3H5M T 8 H53 T 8 -10.464 -2.579 6.011
90 H6 T 8 H6 T 8 -10.656 -2.450 8.755
91 1H5* A 9 1H5' A 9 -10.217 0.499 13.209
92 2H5* A 9 2H5' A 9 -8.984 -0.787 13.393
93 H4* A 9 H4' A 9 -8.127 0.730 15.412
94 H3* A 9 H3' A 9 -10.604 1.779 15.250
95 H1* A 9 H1' A 9 -7.698 3.318 13.383
96 H8 A 9 H8 A 9 -10.221 1.610 10.892
97 1H6 A 9 1H6 A 9 -6.048 2.242 6.383
98 2H6 A 9 2H6 A 9 -7.654 1.708 6.803
99 H2 A 9 H2 A 9 -4.119 3.454 10.285
100 1H2* A 9 1H2' A 9 -10.431 2.317 12.883
101 2H2* A 9 2H2' A 9 -9.847 3.792 13.546
102 1H5* C 10 1H5' C 10 -7.071 4.143 16.613
103 2H5* C 10 2H5' C 10 -6.810 5.719 17.374
104 H4* C 10 H4' C 10 -6.058 5.792 15.058
105 H3* C 10 H3' C 10 -8.369 7.444 15.783
106 H1* C 10 H1' C 10 -6.364 6.147 12.720
107 1H4 C 10 1H4 C 10 -9.129 4.468 7.527
108 2H4 C 10 2H4 C 10 -10.739 4.356 8.225
109 H5 C 10 H5 C 10 -11.086 4.898 10.763
110 H6 C 10 H6 C 10 -9.816 5.765 12.723
111 1H2* C 10 1H2' C 10 -9.003 7.195 13.514
112 2H2* C 10 2H2' C 10 -7.459 8.024 12.999
113 1H5* C 11 1H5' C 11 -3.119 7.869 12.186
114 2H5* C 11 2H5' C 11 -3.083 9.111 13.441
115 H4* C 11 H4' C 11 -3.777 10.301 11.483
116 H3* C 11 H3' C 11 -6.100 9.726 13.169
117 H1* C 11 H1' C 11 -5.599 10.328 9.347
118 1H4 C 11 1H4 C 11 -10.641 7.376 7.244
119 2H4 C 11 2H4 C 11 -11.481 7.427 8.793
120 H5 C 11 H5 C 11 -10.450 8.492 10.732
121 H6 C 11 H6 C 11 -8.305 9.552 11.573
122 H3T C 11 H3T C 11 -4.615 10.837 14.228
123 1H2* C 11 1H2' C 11 -7.177 11.254 11.496
124 2H2* C 11 2H2' C 11 -5.509 11.791 11.083
125 1H5* G 12 1H5' G 12 -8.759 9.884 -3.476
126 2H5* G 12 2H5' G 12 -7.571 8.828 -4.270
127 H4* G 12 H4' G 12 -6.667 9.870 -2.205
128 H3* G 12 H3' G 12 -6.548 7.072 -2.746
129 H1* G 12 H1' G 12 -6.746 8.880 0.506
130 H8 G 12 H8 G 12 -10.287 7.260 0.146
131 H1 G 12 H1 G 12 -8.147 8.355 6.080
132 1H2 G 12 1H2 G 12 -6.049 9.326 5.880
133 2H2 G 12 2H2 G 12 -5.274 9.359 4.286
134 H5T G 12 H5T G 12 -9.645 8.009 -2.516
135 1H2* G 12 1H2' G 12 -8.056 6.620 -0.967
136 2H2* G 12 2H2' G 12 -6.504 6.566 -0.055
137 1H5* G 13 1H5' G 13 -3.965 11.111 1.390
138 2H5* G 13 2H5' G 13 -2.632 10.593 0.355
139 H4* G 13 H4' G 13 -2.173 10.145 2.899
140 H3* G 13 H3' G 13 -1.636 8.234 0.917
141 H1* G 13 H1' G 13 -2.558 7.901 4.387
142 H8 G 13 H8 G 13 -5.293 6.453 2.120
143 H1 G 13 H1 G 13 -6.394 5.385 8.319
144 1H2 G 13 1H2 G 13 -4.750 6.453 9.517
145 2H2 G 13 2H2 G 13 -3.449 7.318 8.707
146 1H2* G 13 1H2' G 13 -3.159 6.689 1.867
147 2H2* G 13 2H2' G 13 -1.924 6.596 3.115
148 1H5* T 14 1H5' T 14 0.814 9.058 5.260
149 2H5* T 14 2H5' T 14 2.529 8.681 5.454
150 H4* T 14 H4' T 14 1.462 7.239 7.002
151 H3* T 14 H3' T 14 2.575 5.917 4.777
152 1H2* T 14 1H2' T 14 0.981 4.434 4.791
153 2H2* T 14 2H2' T 14 1.517 3.948 6.479
154 H1* T 14 H1' T 14 0.031 5.137 7.514
155 H3 T 14 H3 T 14 -4.020 3.232 7.315
156 1H5M T 14 H51 T 14 -3.873 3.080 2.609
157 2H5M T 14 H52 T 14 -2.978 4.592 2.372
158 3H5M T 14 H53 T 14 -2.081 3.081 2.408
159 H6 T 14 H6 T 14 -0.893 4.708 4.004
160 1H5* A 15 1H5' A 15 2.221 5.094 9.386
161 2H5* A 15 2H5' A 15 3.623 4.319 10.156
162 H4* A 15 H4' A 15 1.467 3.396 11.123
163 H3* A 15 H3' A 15 3.460 1.723 9.892
164 H1* A 15 H1' A 15 -0.191 1.338 10.512
165 H8 A 15 H8 A 15 0.627 1.252 6.796
166 1H6 A 15 1H6 A 15 -5.371 -0.444 6.114
167 2H6 A 15 2H6 A 15 -3.870 -0.174 5.248
168 H2 A 15 H2 A 15 -4.441 0.312 10.466
169 1H2* A 15 1H2' A 15 1.866 0.557 8.631
170 2H2* A 15 2H2' A 15 1.134 -0.043 10.102
171 1H5* G 16 1H5' G 16 0.078 0.202 13.545
172 2H5* G 16 2H5' G 16 1.169 -0.916 14.387
173 H4* G 16 H4' G 16 -0.989 -1.971 14.262
174 H3* G 16 H3' G 16 1.345 -3.097 13.417
175 H1* G 16 H1' G 16 -1.908 -3.745 12.149
176 H8 G 16 H8 G 16 -0.137 -2.078 9.187
177 H1 G 16 H1 G 16 -6.113 -3.915 7.769
178 1H2 G 16 1H2 G 16 -7.134 -4.597 9.618
179 2H2 G 16 2H2 G 16 -6.260 -4.765 11.142
180 1H2* G 16 1H2' G 16 0.669 -2.780 11.060
181 2H2* G 16 2H2' G 16 0.119 -4.468 11.317
182 1H5* C 17 1H5' C 17 -2.355 -5.827 14.893
183 2H5* C 17 2H5' C 17 -1.760 -7.355 15.593
184 H4* C 17 H4' C 17 -4.013 -7.610 14.604
185 H3* C 17 H3' C 17 -2.119 -9.425 14.395
186 H1* C 17 H1' C 17 -4.185 -8.382 11.536
187 1H4 C 17 1H4 C 17 -2.783 -5.343 6.179
188 2H4 C 17 2H4 C 17 -1.108 -5.094 6.633
189 H5 C 17 H5 C 17 -0.184 -6.019 8.711
190 H6 C 17 H6 C 17 -0.801 -7.132 10.875
191 1H2* C 17 1H2' C 17 -1.324 -8.265 12.541
192 2H2* C 17 2H2' C 17 -2.088 -9.767 11.727
193 1H5* G 18 1H5' G 18 -4.032 -13.915 15.396
194 2H5* G 18 2H5' G 18 -3.149 -14.248 13.900
195 H4* G 18 H4' G 18 -6.091 -13.523 14.125
196 H3* G 18 H3' G 18 -5.215 -16.041 14.472
197 H1* G 18 H1' G 18 -6.205 -14.924 10.913
198 H8 G 18 H8 G 18 -2.338 -14.146 11.426
199 H1 G 18 H1 G 18 -4.368 -13.821 5.395
200 1H2 G 18 1H2 G 18 -6.566 -14.093 5.328
201 2H2 G 18 2H2 G 18 -7.448 -14.773 6.714
202 1H2* G 18 1H2' G 18 -3.827 -15.939 12.499
203 2H2* G 18 2H2' G 18 -5.211 -16.870 11.865
204 1H5* A 19 1H5' A 19 -8.862 -15.747 10.912
205 2H5* A 19 2H5' A 19 -9.835 -17.161 11.371
206 H4* A 19 H4' A 19 -9.734 -17.124 8.969
207 H3* A 19 H3' A 19 -8.529 -19.309 10.410
208 H1* A 19 H1' A 19 -7.789 -17.793 6.845
209 H8 A 19 H8 A 19 -4.942 -18.142 9.460
210 1H6 A 19 1H6 A 19 -1.222 -16.505 4.744
211 2H6 A 19 2H6 A 19 -1.290 -17.002 6.425
212 H2 A 19 H2 A 19 -5.486 -16.509 3.303
213 1H2* A 19 1H2' A 19 -6.802 -19.459 9.169
214 2H2* A 19 2H2' A 19 -7.823 -19.924 7.799
215 1H5* T 20 1H5' T 20 -10.186 -18.857 6.331
216 2H5* T 20 2H5' T 20 -11.465 -20.076 6.057
217 H4* T 20 H4' T 20 -10.392 -19.531 3.849
218 H3* T 20 H3' T 20 -10.644 -22.066 4.946
219 1H2* T 20 1H2' T 20 -8.300 -22.471 4.969
220 2H2* T 20 2H2' T 20 -8.697 -22.742 3.263
221 H1* T 20 H1' T 20 -8.017 -20.605 2.571
222 H3 T 20 H3 T 20 -3.562 -19.528 3.065
223 1H5M T 20 H51 T 20 -5.322 -20.551 7.905
224 2H5M T 20 H52 T 20 -4.914 -22.178 7.348
225 3H5M T 20 H53 T 20 -3.614 -20.962 7.531
226 H6 T 20 H6 T 20 -6.926 -21.205 6.015
227 1H5* G 21 1H5' G 21 -9.676 -21.125 0.083
228 2H5* G 21 2H5' G 21 -10.318 -22.536 -0.775
229 H4* G 21 H4' G 21 -8.245 -21.975 -1.828
230 H3* G 21 H3' G 21 -8.665 -24.493 -0.785
231 H1* G 21 H1' G 21 -5.476 -22.864 -1.247
232 H8 G 21 H8 G 21 -6.131 -22.941 2.348
233 H1 G 21 H1 G 21 -0.065 -21.545 0.983
234 1H2 G 21 1H2 G 21 0.095 -21.290 -1.264
235 2H2 G 21 2H2 G 21 -1.296 -21.562 -2.313
236 1H2* G 21 1H2' G 21 -6.972 -24.066 0.877
237 2H2* G 21 2H2' G 21 -5.921 -24.733 -0.412
238 1H5* G 22 1H5' G 22 -6.205 -23.261 -4.717
239 2H5* G 22 2H5' G 22 -6.622 -24.546 -5.869
240 H4* G 22 H4' G 22 -4.582 -23.301 -6.562
241 H3* G 22 H3' G 22 -4.629 -25.980 -6.879
242 H1* G 22 H1' G 22 -1.633 -24.467 -5.012
243 H8 G 22 H8 G 22 -4.547 -25.146 -2.589
244 H1 G 22 H1 G 22 1.126 -24.448 0.262
245 1H2 G 22 1H2 G 22 2.705 -24.093 -1.333
246 2H2 G 22 2H2 G 22 2.257 -23.922 -3.024
247 H3T G 22 H3T G 22 -2.601 -24.034 -6.970
248 1H2* G 22 1H2' G 22 -3.968 -26.244 -4.445
249 2H2* G 22 2H2' G 22 -2.496 -26.591 -5.439
250 1H1 BPI 25 H1 BPH 1 -7.691 -9.811 7.622
251 H2 BPI 25 H2 BPH 1 -8.426 -7.717 9.915
252 2HO BPI 25 HO2 BPH 1 -9.425 -8.070 7.291
253 H3 BPI 25 H3 BPH 1 -9.948 -9.401 10.750
254 3HO BPI 25 HO3 BPH 1 -9.415 -11.542 9.369
255 H4 BPI 25 H4 BPH 1 -8.322 -10.417 11.812
256 4HO BPI 25 HO4 BPH 1 -6.732 -8.488 11.983
257 H5 BPI 25 H5 BPH 1 -6.171 -11.418 12.086
258 H6 BPI 25 H6 BPH 1 -3.978 -11.984 11.214
259 H7 BPI 25 H7 BPH 1 -2.150 -11.541 9.619
260 H8 BPI 25 H8 BPH 1 -1.317 -10.242 7.736
261 H9 BPI 25 H9 BPH 1 -1.781 -9.594 5.321
262 H10 BPI 25 H10 BPH 1 -3.459 -9.318 3.467
263 H11 BPI 25 H11 BPH 1 -5.946 -9.800 4.030
264 H12 BPI 25 H12 BPH 1 -6.610 -10.407 6.083
Start of MODEL 4
1 1H5* C 1 1H5' C 1 8.462 -28.527 1.934
2 2H5* C 1 2H5' C 1 7.066 -28.573 3.014
3 H4* C 1 H4' C 1 7.228 -27.355 0.222
4 H3* C 1 H3' C 1 7.278 -26.085 2.913
5 H1* C 1 H1' C 1 5.008 -25.925 -0.399
6 1H4 C 1 1H4 C 1 -0.797 -24.684 1.759
7 2H4 C 1 2H4 C 1 -0.339 -24.933 3.439
8 H5 C 1 H5 C 1 1.977 -25.814 4.042
9 H6 C 1 H6 C 1 4.137 -26.263 3.137
10 H5T C 1 H5T C 1 5.992 -29.689 1.216
11 1H2* C 1 1H2' C 1 5.584 -24.632 2.205
12 2H2* C 1 2H2' C 1 6.380 -24.425 0.601
13 1H5* C 2 1H5' C 2 7.907 -24.453 -1.191
14 2H5* C 2 2H5' C 2 8.970 -23.053 -1.478
15 H4* C 2 H4' C 2 6.802 -22.868 -2.681
16 H3* C 2 H3' C 2 7.804 -20.832 -0.815
17 H1* C 2 H1' C 2 4.300 -21.680 -1.864
18 1H4 C 2 1H4 C 2 0.519 -22.220 3.272
19 2H4 C 2 2H4 C 2 1.842 -22.294 4.420
20 H5 C 2 H5 C 2 4.414 -22.360 3.422
21 H6 C 2 H6 C 2 5.534 -22.192 1.687
22 1H2* C 2 1H2' C 2 6.071 -20.662 0.396
23 2H2* C 2 2H2' C 2 5.375 -19.810 -1.003
24 1H5* A 3 1H5' A 3 3.149 -20.757 -4.331
25 2H5* A 3 2H5' A 3 3.712 -19.334 -5.222
26 H4* A 3 H4' A 3 1.512 -19.103 -4.522
27 H3* A 3 H3' A 3 3.477 -17.150 -3.752
28 H1* A 3 H1' A 3 0.147 -18.031 -2.210
29 H8 A 3 H8 A 3 3.087 -18.463 0.277
30 1H6 A 3 1H6 A 3 -1.300 -19.210 4.607
31 2H6 A 3 2H6 A 3 0.421 -19.024 4.323
32 H2 A 3 H2 A 3 -3.304 -18.717 0.656
33 1H2* A 3 1H2' A 3 2.835 -17.034 -1.460
34 2H2* A 3 2H2' A 3 1.327 -16.356 -2.023
35 1H5* T 4 1H5' T 4 -0.913 -16.585 -5.227
36 2H5* T 4 2H5' T 4 -1.716 -15.272 -6.098
37 H4* T 4 H4' T 4 -3.011 -15.827 -4.205
38 H3* T 4 H3' T 4 -1.708 -13.176 -4.015
39 1H2* T 4 1H2' T 4 -1.805 -13.254 -1.852
40 2H2* T 4 2H2' T 4 -3.612 -13.402 -1.859
41 H1* T 4 H1' T 4 -3.592 -15.637 -1.703
42 H3 T 4 H3 T 4 -2.525 -16.144 2.607
43 1H5M T 4 H51 T 4 1.896 -14.701 1.841
44 2H5M T 4 H52 T 4 2.041 -15.254 0.154
45 3H5M T 4 H53 T 4 1.553 -13.583 0.494
46 H6 T 4 H6 T 4 -0.232 -14.605 -1.278
47 1H5* C 5 1H5' C 5 -7.311 -14.496 -2.166
48 2H5* C 5 2H5' C 5 -7.650 -13.002 -3.068
49 H4* C 5 H4' C 5 -8.174 -12.683 -0.633
50 H3* C 5 H3' C 5 -5.810 -11.153 -1.638
51 H1* C 5 H1' C 5 -7.039 -12.303 1.798
52 1H4 C 5 1H4 C 5 -1.388 -13.144 4.489
53 2H4 C 5 2H4 C 5 -0.473 -12.783 3.021
54 H5 C 5 H5 C 5 -1.690 -12.036 0.961
55 H6 C 5 H6 C 5 -3.984 -11.795 -0.001
56 1H2* C 5 1H2' C 5 -5.491 -10.383 0.391
57 2H2* C 5 2H2' C 5 -7.198 -10.435 0.893
58 1H5* +G 6 1H5' G 6 -9.608 -11.628 0.792
59 2H5* +G 6 2H5' G 6 -11.230 -11.008 0.426
60 H4* +G 6 H4' G 6 -10.709 -10.782 2.718
61 H3* +G 6 H3' G 6 -11.131 -8.366 0.992
62 H1* +G 6 H1' G 6 -9.371 -8.738 4.386
63 H8 +G 6 H8 G 6 -7.543 -7.253 1.354
64 H1 +G 6 H1 G 6 -4.720 -6.588 7.069
65 1H2 +G 6 1H2 G 6 -6.146 -7.350 8.598
66 1H2* +G 6 1H2' G 6 -9.737 -7.003 2.111
67 2H2* +G 6 2H2' G 6 -10.627 -7.282 3.640
68 1H5* C 7 1H5' C 7 -12.587 -8.670 5.198
69 2H5* C 7 2H5' C 7 -14.112 -7.843 5.596
70 H4* C 7 H4' C 7 -12.383 -7.452 7.320
71 H3* C 7 H3' C 7 -13.889 -5.397 6.009
72 H1* C 7 H1' C 7 -10.395 -5.522 7.682
73 1H4 C 7 1H4 C 7 -5.259 -3.222 4.877
74 2H4 C 7 2H4 C 7 -5.988 -3.278 3.271
75 H5 C 7 H5 C 7 -8.305 -4.231 2.939
76 H6 C 7 H6 C 7 -10.199 -5.092 4.108
77 1H2* C 7 1H2' C 7 -11.767 -4.340 5.249
78 2H2* C 7 2H2' C 7 -11.699 -3.824 6.972
79 1H5* T 8 1H5' T 8 -12.489 -5.656 10.581
80 2H5* T 8 2H5' T 8 -13.391 -4.998 11.955
81 H4* T 8 H4' T 8 -11.237 -4.059 12.219
82 H3* T 8 H3' T 8 -13.188 -2.209 11.473
83 1H2* T 8 1H2' T 8 -11.629 -1.315 10.033
84 2H2* T 8 2H2' T 8 -10.728 -0.719 11.467
85 H1* T 8 H1' T 8 -9.363 -2.393 11.623
86 H3 T 8 H3 T 8 -6.465 -0.701 8.473
87 1H5M T 8 H51 T 8 -10.707 -2.253 5.802
88 2H5M T 8 H52 T 8 -11.273 -0.671 6.351
89 3H5M T 8 H53 T 8 -9.881 -0.760 5.242
90 H6 T 8 H6 T 8 -11.007 -2.132 8.545
91 1H5* A 9 1H5' A 9 -10.595 0.906 12.970
92 2H5* A 9 2H5' A 9 -9.567 -0.560 13.237
93 H4* A 9 H4' A 9 -8.554 0.919 15.222
94 H3* A 9 H3' A 9 -10.909 2.230 14.937
95 H1* A 9 H1' A 9 -7.721 3.419 13.200
96 H8 A 9 H8 A 9 -10.375 1.804 10.746
97 1H6 A 9 1H6 A 9 -6.213 2.299 6.216
98 2H6 A 9 2H6 A 9 -7.814 1.760 6.651
99 H2 A 9 H2 A 9 -4.225 3.490 10.070
100 1H2* A 9 1H2' A 9 -10.518 2.822 12.634
101 2H2* A 9 2H2' A 9 -9.693 4.210 13.369
102 1H5* C 10 1H5' C 10 -7.563 4.734 15.990
103 2H5* C 10 2H5' C 10 -7.678 6.380 16.651
104 H4* C 10 H4' C 10 -6.447 6.250 14.462
105 H3* C 10 H3' C 10 -8.873 7.883 14.820
106 H1* C 10 H1' C 10 -6.555 6.451 12.070
107 1H4 C 10 1H4 C 10 -9.001 4.421 6.800
108 2H4 C 10 2H4 C 10 -10.642 4.277 7.417
109 H5 C 10 H5 C 10 -11.125 4.877 9.986
110 H6 C 10 H6 C 10 -9.993 5.798 11.909
111 1H2* C 10 1H2' C 10 -9.310 7.391 12.548
112 2H2* C 10 2H2' C 10 -7.778 8.274 12.087
113 1H5* C 11 1H5' C 11 -3.425 8.338 11.522
114 2H5* C 11 2H5' C 11 -3.523 9.644 12.712
115 H4* C 11 H4' C 11 -4.140 10.712 10.657
116 H3* C 11 H3' C 11 -6.526 10.085 12.228
117 H1* C 11 H1' C 11 -5.810 10.534 8.406
118 1H4 C 11 1H4 C 11 -10.525 7.146 6.166
119 2H4 C 11 2H4 C 11 -11.447 7.205 7.668
120 H5 C 11 H5 C 11 -10.593 8.411 9.624
121 H6 C 11 H6 C 11 -8.582 9.654 10.515
122 H3T C 11 H3T C 11 -5.190 11.337 13.305
123 1H2* C 11 1H2' C 11 -7.585 11.447 10.404
124 2H2* C 11 2H2' C 11 -5.927 12.078 10.080
125 1H5* G 12 1H5' G 12 -8.282 8.578 -4.651
126 2H5* G 12 2H5' G 12 -6.936 7.589 -5.251
127 H4* G 12 H4' G 12 -6.273 8.978 -3.295
128 H3* G 12 H3' G 12 -5.861 6.146 -3.459
129 H1* G 12 H1' G 12 -6.343 8.396 -0.466
130 H8 G 12 H8 G 12 -9.663 6.351 -0.821
131 H1 G 12 H1 G 12 -8.075 8.214 5.093
132 1H2 G 12 1H2 G 12 -6.066 9.369 4.931
133 2H2 G 12 2H2 G 12 -5.166 9.295 3.406
134 H5T G 12 H5T G 12 -9.011 6.736 -3.514
135 1H2* G 12 1H2' G 12 -7.259 5.784 -1.578
136 2H2* G 12 2H2' G 12 -5.712 6.101 -0.711
137 1H5* G 13 1H5' G 13 -3.779 10.573 0.268
138 2H5* G 13 2H5' G 13 -2.196 10.232 -0.457
139 H4* G 13 H4' G 13 -1.997 10.074 2.100
140 H3* G 13 H3' G 13 -1.213 7.958 0.389
141 H1* G 13 H1' G 13 -2.314 7.987 3.834
142 H8 G 13 H8 G 13 -4.837 6.256 1.522
143 H1 G 13 H1 G 13 -6.342 5.556 7.691
144 1H2 G 13 1H2 G 13 -4.819 6.738 8.921
145 2H2 G 13 2H2 G 13 -3.484 7.597 8.162
146 1H2* G 13 1H2' G 13 -2.685 6.524 1.461
147 2H2* G 13 2H2' G 13 -1.464 6.596 2.783
148 1H5* T 14 1H5' T 14 0.964 8.521 4.892
149 2H5* T 14 2H5' T 14 2.634 7.970 4.625
150 H4* T 14 H4' T 14 1.720 6.844 6.719
151 H3* T 14 H3' T 14 2.525 5.389 4.379
152 1H2* T 14 1H2' T 14 0.923 3.922 4.575
153 2H2* T 14 2H2' T 14 1.569 3.498 6.227
154 H1* T 14 H1' T 14 0.211 4.777 7.352
155 H3 T 14 H3 T 14 -4.035 3.088 7.197
156 1H5M T 14 H51 T 14 -4.079 3.214 2.495
157 2H5M T 14 H52 T 14 -2.994 4.592 2.273
158 3H5M T 14 H53 T 14 -2.321 2.965 2.233
159 H6 T 14 H6 T 14 -0.917 4.536 3.874
160 1H5* A 15 1H5' A 15 1.631 5.080 9.935
161 2H5* A 15 2H5' A 15 3.141 4.378 10.552
162 H4* A 15 H4' A 15 1.139 3.116 11.333
163 H3* A 15 H3' A 15 3.243 1.795 9.780
164 H1* A 15 H1' A 15 -0.373 1.040 10.538
165 H8 A 15 H8 A 15 0.519 0.926 6.825
166 1H6 A 15 1H6 A 15 -5.526 -0.458 6.046
167 2H6 A 15 2H6 A 15 -3.980 -0.338 5.224
168 H2 A 15 H2 A 15 -4.670 0.366 10.409
169 1H2* A 15 1H2' A 15 1.750 0.418 8.679
170 2H2* A 15 2H2' A 15 1.092 -0.201 10.165
171 1H5* G 16 1H5' G 16 0.343 0.009 13.477
172 2H5* G 16 2H5' G 16 1.436 -1.112 14.315
173 H4* G 16 H4' G 16 -0.767 -2.125 14.236
174 H3* G 16 H3' G 16 1.539 -3.315 13.425
175 H1* G 16 H1' G 16 -1.744 -3.903 12.157
176 H8 G 16 H8 G 16 0.108 -2.379 9.167
177 H1 G 16 H1 G 16 -5.952 -3.904 7.734
178 1H2 G 16 1H2 G 16 -7.015 -4.523 9.570
179 2H2 G 16 2H2 G 16 -6.190 -4.654 11.129
180 1H2* G 16 1H2' G 16 0.881 -3.048 11.063
181 2H2* G 16 2H2' G 16 0.269 -4.709 11.360
182 1H5* C 17 1H5' C 17 -2.138 -5.944 15.020
183 2H5* C 17 2H5' C 17 -1.592 -7.486 15.730
184 H4* C 17 H4' C 17 -3.870 -7.652 14.761
185 H3* C 17 H3' C 17 -2.064 -9.558 14.556
186 H1* C 17 H1' C 17 -4.123 -8.429 11.720
187 1H4 C 17 1H4 C 17 -2.604 -5.502 6.303
188 2H4 C 17 2H4 C 17 -0.916 -5.387 6.745
189 H5 C 17 H5 C 17 -0.035 -6.311 8.813
190 H6 C 17 H6 C 17 -0.681 -7.369 10.997
191 1H2* C 17 1H2' C 17 -1.246 -8.475 12.670
192 2H2* C 17 2H2' C 17 -2.101 -9.930 11.880
193 1H5* G 18 1H5' G 18 -3.613 -14.076 15.195
194 2H5* G 18 2H5' G 18 -2.841 -14.271 13.620
195 H4* G 18 H4' G 18 -5.824 -13.990 14.149
196 H3* G 18 H3' G 18 -4.437 -16.325 14.260
197 H1* G 18 H1' G 18 -5.977 -15.172 10.801
198 H8 G 18 H8 G 18 -2.079 -14.264 11.188
199 H1 G 18 H1 G 18 -4.411 -13.695 5.302
200 1H2 G 18 1H2 G 18 -6.616 -14.005 5.314
201 2H2 G 18 2H2 G 18 -7.443 -14.680 6.739
202 1H2* G 18 1H2' G 18 -3.440 -16.151 12.144
203 2H2* G 18 2H2' G 18 -4.860 -17.086 11.632
204 1H5* A 19 1H5' A 19 -8.566 -14.952 10.506
205 2H5* A 19 2H5' A 19 -9.716 -16.177 11.070
206 H4* A 19 H4' A 19 -9.556 -16.209 8.691
207 H3* A 19 H3' A 19 -8.772 -18.597 10.186
208 H1* A 19 H1' A 19 -7.840 -17.336 6.564
209 H8 A 19 H8 A 19 -5.084 -18.225 9.164
210 1H6 A 19 1H6 A 19 -1.166 -16.678 4.590
211 2H6 A 19 2H6 A 19 -1.302 -17.306 6.223
212 H2 A 19 H2 A 19 -5.377 -16.076 3.148
213 1H2* A 19 1H2' A 19 -7.174 -19.143 8.907
214 2H2* A 19 2H2' A 19 -8.319 -19.431 7.594
215 1H5* T 20 1H5' T 20 -11.712 -19.629 5.625
216 2H5* T 20 2H5' T 20 -10.149 -20.066 6.355
217 H4* T 20 H4' T 20 -10.439 -18.548 3.717
218 H3* T 20 H3' T 20 -10.809 -21.322 4.233
219 1H2* T 20 1H2' T 20 -8.474 -21.792 4.351
220 2H2* T 20 2H2' T 20 -8.754 -21.690 2.617
221 H1* T 20 H1' T 20 -7.974 -19.469 2.467
222 H3 T 20 H3 T 20 -3.484 -19.393 3.346
223 1H5M T 20 H51 T 20 -5.588 -22.154 7.244
224 2H5M T 20 H52 T 20 -4.121 -21.209 7.617
225 3H5M T 20 H53 T 20 -5.745 -20.536 7.947
226 H6 T 20 H6 T 20 -7.332 -20.705 5.830
227 1H5* G 21 1H5' G 21 -8.686 -18.334 -0.733
228 2H5* G 21 2H5' G 21 -9.815 -19.422 -1.562
229 H4* G 21 H4' G 21 -7.669 -19.595 -2.633
230 H3* G 21 H3' G 21 -9.017 -21.809 -1.744
231 H1* G 21 H1' G 21 -5.439 -21.495 -2.004
232 H8 G 21 H8 G 21 -6.218 -21.701 1.598
233 H1 G 21 H1 G 21 0.047 -21.724 0.402
234 1H2 G 21 1H2 G 21 0.347 -21.201 -1.803
235 2H2 G 21 2H2 G 21 -1.034 -21.016 -2.882
236 1H2* G 21 1H2' G 21 -7.392 -22.124 -0.005
237 2H2* G 21 2H2' G 21 -6.573 -23.069 -1.291
238 1H5* G 22 1H5' G 22 -6.396 -21.180 -5.546
239 2H5* G 22 2H5' G 22 -7.051 -22.224 -6.827
240 H4* G 22 H4' G 22 -4.765 -21.375 -7.352
241 H3* G 22 H3' G 22 -5.396 -23.927 -7.984
242 H1* G 22 H1' G 22 -2.190 -23.297 -5.960
243 H8 G 22 H8 G 22 -5.225 -23.739 -3.623
244 H1 G 22 H1 G 22 0.454 -24.521 -0.790
245 1H2 G 22 1H2 G 22 2.074 -24.218 -2.342
246 2H2 G 22 2H2 G 22 1.688 -23.741 -3.991
247 H3T G 22 H3T G 22 -3.007 -22.459 -7.882
248 1H2* G 22 1H2' G 22 -4.846 -24.646 -5.621
249 2H2* G 22 2H2' G 22 -3.448 -25.132 -6.656
250 1H1 BPI 25 H1 BPH 1 -7.648 -9.707 7.749
251 H2 BPI 25 H2 BPH 1 -8.288 -7.505 9.974
252 2HO BPI 25 HO2 BPH 1 -9.810 -8.269 7.688
253 H3 BPI 25 H3 BPH 1 -9.925 -9.083 10.794
254 3HO BPI 25 HO3 BPH 1 -9.515 -11.236 9.398
255 H4 BPI 25 H4 BPH 1 -8.388 -10.223 11.894
256 4HO BPI 25 HO4 BPH 1 -6.704 -7.995 11.415
257 H5 BPI 25 H5 BPH 1 -6.305 -11.382 12.229
258 H6 BPI 25 H6 BPH 1 -4.121 -12.060 11.404
259 H7 BPI 25 H7 BPH 1 -2.241 -11.715 9.813
260 H8 BPI 25 H8 BPH 1 -1.330 -10.431 7.937
261 H9 BPI 25 H9 BPH 1 -1.750 -9.822 5.483
262 H10 BPI 25 H10 BPH 1 -3.397 -9.584 3.606
263 H11 BPI 25 H11 BPH 1 -5.919 -9.945 4.170
264 H12 BPI 25 H12 BPH 1 -6.604 -10.454 6.238
Start of MODEL 5
1 1H5* C 1 1H5' C 1 6.783 -28.946 3.128
2 2H5* C 1 2H5' C 1 8.073 -27.833 3.594
3 H4* C 1 H4' C 1 6.932 -27.160 1.478
4 H3* C 1 H3' C 1 6.880 -25.369 3.876
5 H1* C 1 H1' C 1 4.678 -25.888 0.560
6 1H4 C 1 1H4 C 1 -1.241 -24.662 2.625
7 2H4 C 1 2H4 C 1 -0.731 -24.624 4.305
8 H5 C 1 H5 C 1 1.593 -25.301 4.966
9 H6 C 1 H6 C 1 3.784 -25.747 4.102
10 H5T C 1 H5T C 1 5.428 -27.862 4.645
11 1H2* C 1 1H2' C 1 5.116 -24.142 2.935
12 2H2* C 1 2H2' C 1 5.941 -24.151 1.332
13 1H5* C 2 1H5' C 2 6.450 -24.994 -1.391
14 2H5* C 2 2H5' C 2 7.633 -23.808 -1.981
15 H4* C 2 H4' C 2 5.365 -23.230 -2.585
16 H3* C 2 H3' C 2 6.921 -21.383 -0.820
17 H1* C 2 H1' C 2 3.257 -21.833 -1.597
18 1H4 C 2 1H4 C 2 -0.139 -21.809 3.823
19 2H4 C 2 2H4 C 2 1.282 -21.725 4.860
20 H5 C 2 H5 C 2 3.723 -21.851 3.733
21 H6 C 2 H6 C 2 4.755 -21.866 1.903
22 1H2* C 2 1H2' C 2 5.297 -20.629 0.303
23 2H2* C 2 2H2' C 2 4.627 -19.994 -1.195
24 1H5* A 3 1H5' A 3 2.419 -21.103 -4.449
25 2H5* A 3 2H5' A 3 3.124 -19.803 -5.428
26 H4* A 3 H4' A 3 0.963 -19.280 -4.786
27 H3* A 3 H3' A 3 3.193 -17.604 -3.834
28 H1* A 3 H1' A 3 -0.436 -18.023 -2.594
29 H8 A 3 H8 A 3 2.487 -18.298 -0.085
30 1H6 A 3 1H6 A 3 -1.753 -19.118 4.338
31 2H6 A 3 2H6 A 3 -0.070 -18.796 3.978
32 H2 A 3 H2 A 3 -3.893 -18.814 0.386
33 1H2* A 3 1H2' A 3 2.193 -16.955 -1.869
34 2H2* A 3 2H2' A 3 0.759 -16.377 -2.702
35 1H5* T 4 1H5' T 4 -0.921 -16.643 -4.892
36 2H5* T 4 2H5' T 4 -1.298 -15.157 -5.782
37 H4* T 4 H4' T 4 -3.076 -15.773 -4.164
38 H3* T 4 H3' T 4 -1.644 -13.192 -3.882
39 1H2* T 4 1H2' T 4 -1.855 -13.217 -1.730
40 2H2* T 4 2H2' T 4 -3.665 -13.228 -1.835
41 H1* T 4 H1' T 4 -3.862 -15.451 -1.653
42 H3 T 4 H3 T 4 -2.756 -16.069 2.741
43 1H5M T 4 H51 T 4 1.786 -15.641 0.144
44 2H5M T 4 H52 T 4 1.535 -13.934 0.526
45 3H5M T 4 H53 T 4 1.778 -15.123 1.841
46 H6 T 4 H6 T 4 -0.430 -14.740 -1.191
47 1H5* C 5 1H5' C 5 -7.322 -13.991 -2.333
48 2H5* C 5 2H5' C 5 -7.586 -12.433 -3.146
49 H4* C 5 H4' C 5 -8.035 -12.226 -0.691
50 H3* C 5 H3' C 5 -5.614 -10.725 -1.613
51 H1* C 5 H1' C 5 -6.907 -12.158 1.716
52 1H4 C 5 1H4 C 5 -1.325 -13.134 4.510
53 2H4 C 5 2H4 C 5 -0.365 -12.747 3.081
54 H5 C 5 H5 C 5 -1.533 -11.888 1.002
55 H6 C 5 H6 C 5 -3.817 -11.577 0.011
56 1H2* C 5 1H2' C 5 -5.275 -10.154 0.491
57 2H2* C 5 2H2' C 5 -6.983 -10.225 0.999
58 1H5* +G 6 1H5' G 6 -9.907 -11.995 1.390
59 2H5* +G 6 2H5' G 6 -11.218 -11.172 0.544
60 H4* +G 6 H4' G 6 -10.818 -10.666 2.882
61 H3* +G 6 H3' G 6 -10.896 -8.445 0.805
62 H1* +G 6 H1' G 6 -9.415 -8.584 4.381
63 H8 +G 6 H8 G 6 -7.527 -7.134 1.351
64 H1 +G 6 H1 G 6 -4.744 -6.574 7.087
65 1H2 +G 6 1H2 G 6 -6.222 -7.339 8.623
66 1H2* +G 6 1H2' G 6 -9.731 -6.953 2.026
67 2H2* +G 6 2H2' G 6 -10.679 -7.216 3.496
68 1H5* C 7 1H5' C 7 -12.729 -8.625 4.711
69 2H5* C 7 2H5' C 7 -14.253 -7.791 5.086
70 H4* C 7 H4' C 7 -12.564 -7.543 6.920
71 H3* C 7 H3' C 7 -13.948 -5.343 5.614
72 H1* C 7 H1' C 7 -10.535 -5.743 7.529
73 1H4 C 7 1H4 C 7 -5.445 -3.236 4.682
74 2H4 C 7 2H4 C 7 -6.219 -3.246 3.096
75 H5 C 7 H5 C 7 -8.569 -4.115 2.816
76 H6 C 7 H6 C 7 -10.438 -5.031 4.026
77 1H2* C 7 1H2' C 7 -11.809 -4.147 5.356
78 2H2* C 7 2H2' C 7 -11.872 -3.996 7.133
79 1H5* T 8 1H5' T 8 -11.898 -5.988 9.735
80 2H5* T 8 2H5' T 8 -13.117 -5.472 10.925
81 H4* T 8 H4' T 8 -10.839 -5.197 11.924
82 H3* T 8 H3' T 8 -12.709 -3.150 11.678
83 1H2* T 8 1H2' T 8 -11.231 -1.946 10.402
84 2H2* T 8 2H2' T 8 -10.359 -1.537 11.938
85 H1* T 8 H1' T 8 -8.877 -3.138 11.866
86 H3 T 8 H3 T 8 -6.206 -0.792 8.795
87 1H5M T 8 H51 T 8 -10.342 -2.526 6.095
88 2H5M T 8 H52 T 8 -11.026 -1.036 6.780
89 3H5M T 8 H53 T 8 -9.657 -0.929 5.644
90 H6 T 8 H6 T 8 -10.573 -2.704 8.829
91 1H5* A 9 1H5' A 9 -10.666 -0.828 15.212
92 2H5* A 9 2H5' A 9 -10.381 -0.155 13.622
93 H4* A 9 H4' A 9 -8.097 -0.225 15.615
94 H3* A 9 H3' A 9 -10.406 1.210 15.663
95 H1* A 9 H1' A 9 -7.442 2.351 13.795
96 H8 A 9 H8 A 9 -10.178 1.031 11.312
97 1H6 A 9 1H6 A 9 -6.452 2.540 6.630
98 2H6 A 9 2H6 A 9 -7.973 1.842 7.112
99 H2 A 9 H2 A 9 -4.248 3.294 10.530
100 1H2* A 9 1H2' A 9 -10.291 1.762 13.323
101 2H2* A 9 2H2' A 9 -9.414 3.146 14.013
102 1H5* C 10 1H5' C 10 -6.305 3.544 16.770
103 2H5* C 10 2H5' C 10 -6.349 5.071 17.659
104 H4* C 10 H4' C 10 -6.151 5.740 15.400
105 H3* C 10 H3' C 10 -8.851 6.121 16.390
106 H1* C 10 H1' C 10 -6.659 5.948 13.099
107 1H4 C 10 1H4 C 10 -9.263 4.289 7.839
108 2H4 C 10 2H4 C 10 -10.817 3.888 8.549
109 H5 C 10 H5 C 10 -11.188 4.214 11.168
110 H6 C 10 H6 C 10 -10.053 4.975 13.120
111 1H2* C 10 1H2' C 10 -9.392 6.342 14.093
112 2H2* C 10 2H2' C 10 -7.989 7.477 13.829
113 1H5* C 11 1H5' C 11 -3.677 8.548 14.163
114 2H5* C 11 2H5' C 11 -4.155 9.660 15.447
115 H4* C 11 H4' C 11 -4.973 10.574 13.458
116 H3* C 11 H3' C 11 -7.321 9.354 14.774
117 H1* C 11 H1' C 11 -6.453 10.226 11.111
118 1H4 C 11 1H4 C 11 -10.810 6.731 8.349
119 2H4 C 11 2H4 C 11 -11.859 6.761 9.759
120 H5 C 11 H5 C 11 -11.204 7.864 11.796
121 H6 C 11 H6 C 11 -9.329 9.097 12.939
122 H3T C 11 H3T C 11 -6.319 10.702 16.129
123 1H2* C 11 1H2' C 11 -8.402 10.887 13.046
124 2H2* C 11 2H2' C 11 -6.787 11.629 12.898
125 1H5* G 12 1H5' G 12 -10.214 10.388 -1.588
126 2H5* G 12 2H5' G 12 -10.469 12.024 -0.950
127 H4* G 12 H4' G 12 -8.202 11.976 0.063
128 H3* G 12 H3' G 12 -7.760 9.659 -1.597
129 H1* G 12 H1' G 12 -7.576 10.238 2.142
130 H8 G 12 H8 G 12 -10.633 7.877 1.472
131 H1 G 12 H1 G 12 -8.487 8.056 7.490
132 1H2 G 12 1H2 G 12 -6.720 9.447 7.595
133 2H2 G 12 2H2 G 12 -6.074 10.203 6.131
134 H5T G 12 H5T G 12 -8.122 11.720 -2.289
135 1H2* G 12 1H2' G 12 -8.504 8.253 0.095
136 2H2* G 12 2H2' G 12 -6.833 8.493 0.712
137 1H5* G 13 1H5' G 13 -4.663 11.646 1.706
138 2H5* G 13 2H5' G 13 -3.059 11.459 0.968
139 H4* G 13 H4' G 13 -2.812 10.994 3.471
140 H3* G 13 H3' G 13 -2.073 9.129 1.489
141 H1* G 13 H1' G 13 -3.067 8.679 4.890
142 H8 G 13 H8 G 13 -5.789 7.399 2.534
143 H1 G 13 H1 G 13 -6.627 5.341 8.533
144 1H2 G 13 1H2 G 13 -5.045 6.295 9.823
145 2H2 G 13 2H2 G 13 -3.759 7.286 9.132
146 1H2* G 13 1H2' G 13 -3.634 7.622 2.360
147 2H2* G 13 2H2' G 13 -2.348 7.407 3.615
148 1H5* T 14 1H5' T 14 0.116 8.904 5.942
149 2H5* T 14 2H5' T 14 1.782 8.397 5.593
150 H4* T 14 H4' T 14 0.908 6.990 7.518
151 H3* T 14 H3' T 14 1.931 5.899 5.171
152 1H2* T 14 1H2' T 14 0.093 4.721 4.757
153 2H2* T 14 2H2' T 14 0.638 3.725 6.160
154 H1* T 14 H1' T 14 -0.524 4.742 7.714
155 H3 T 14 H3 T 14 -4.604 2.878 7.293
156 1H5M T 14 H51 T 14 -3.873 5.526 2.822
157 2H5M T 14 H52 T 14 -3.014 4.052 2.400
158 3H5M T 14 H53 T 14 -4.796 4.010 2.667
159 H6 T 14 H6 T 14 -1.765 5.229 4.285
160 1H5* A 15 1H5' A 15 2.284 4.862 10.008
161 2H5* A 15 2H5' A 15 3.622 4.022 10.805
162 H4* A 15 H4' A 15 1.584 2.871 11.400
163 H3* A 15 H3' A 15 3.549 1.506 9.695
164 H1* A 15 H1' A 15 -0.034 0.905 10.547
165 H8 A 15 H8 A 15 0.657 1.052 6.787
166 1H6 A 15 1H6 A 15 -5.418 -0.327 6.263
167 2H6 A 15 2H6 A 15 -3.936 -0.113 5.345
168 H2 A 15 H2 A 15 -4.349 0.153 10.585
169 1H2* A 15 1H2' A 15 1.944 0.365 8.540
170 2H2* A 15 2H2' A 15 1.323 -0.385 9.996
171 1H5* G 16 1H5' G 16 -0.668 0.008 13.712
172 2H5* G 16 2H5' G 16 0.587 -0.957 14.517
173 H4* G 16 H4' G 16 -1.307 -2.359 14.019
174 H3* G 16 H3' G 16 1.298 -2.940 13.273
175 H1* G 16 H1' G 16 -1.829 -3.983 11.862
176 H8 G 16 H8 G 16 -0.028 -2.319 8.930
177 H1 G 16 H1 G 16 -6.065 -3.919 7.517
178 1H2 G 16 1H2 G 16 -7.086 -4.654 9.361
179 2H2 G 16 2H2 G 16 -6.235 -4.765 10.903
180 1H2* G 16 1H2' G 16 0.708 -2.761 10.905
181 2H2* G 16 2H2' G 16 0.314 -4.497 11.148
182 1H5* C 17 1H5' C 17 -1.839 -5.778 14.902
183 2H5* C 17 2H5' C 17 -1.403 -7.342 15.638
184 H4* C 17 H4' C 17 -3.684 -7.347 14.653
185 H3* C 17 H3' C 17 -1.985 -9.370 14.488
186 H1* C 17 H1' C 17 -4.051 -8.192 11.669
187 1H4 C 17 1H4 C 17 -2.467 -5.553 6.141
188 2H4 C 17 2H4 C 17 -0.779 -5.381 6.586
189 H5 C 17 H5 C 17 0.096 -6.230 8.716
190 H6 C 17 H6 C 17 -0.586 -7.207 10.937
191 1H2* C 17 1H2' C 17 -1.147 -8.411 12.533
192 2H2* C 17 2H2' C 17 -2.118 -9.815 11.819
193 1H5* G 18 1H5' G 18 -3.658 -13.745 15.093
194 2H5* G 18 2H5' G 18 -2.932 -13.989 13.502
195 H4* G 18 H4' G 18 -5.899 -13.698 14.116
196 H3* G 18 H3' G 18 -4.543 -16.024 14.349
197 H1* G 18 H1' G 18 -6.066 -15.092 10.768
198 H8 G 18 H8 G 18 -2.160 -14.212 11.205
199 H1 G 18 H1 G 18 -4.349 -13.620 5.275
200 1H2 G 18 1H2 G 18 -6.540 -13.868 5.214
201 2H2 G 18 2H2 G 18 -7.446 -14.503 6.607
202 1H2* G 18 1H2' G 18 -3.572 -16.038 12.199
203 2H2* G 18 2H2' G 18 -5.027 -16.952 11.772
204 1H5* A 19 1H5' A 19 -9.038 -15.103 10.588
205 2H5* A 19 2H5' A 19 -9.890 -16.484 11.310
206 H4* A 19 H4' A 19 -9.784 -16.802 8.936
207 H3* A 19 H3' A 19 -8.284 -18.677 10.632
208 H1* A 19 H1' A 19 -7.831 -17.487 6.836
209 H8 A 19 H8 A 19 -5.040 -18.249 9.397
210 1H6 A 19 1H6 A 19 -1.249 -16.600 4.742
211 2H6 A 19 2H6 A 19 -1.327 -17.216 6.383
212 H2 A 19 H2 A 19 -5.495 -16.080 3.400
213 1H2* A 19 1H2' A 19 -7.009 -19.381 9.005
214 2H2* A 19 2H2' A 19 -8.332 -19.474 7.823
215 1H5* T 20 1H5' T 20 -10.391 -18.460 7.118
216 2H5* T 20 2H5' T 20 -11.792 -19.533 6.820
217 H4* T 20 H4' T 20 -10.769 -18.878 4.628
218 H3* T 20 H3' T 20 -11.177 -21.493 5.487
219 1H2* T 20 1H2' T 20 -8.872 -22.066 5.318
220 2H2* T 20 2H2' T 20 -9.407 -22.147 3.627
221 H1* T 20 H1' T 20 -8.615 -20.007 3.083
222 H3 T 20 H3 T 20 -4.042 -19.342 3.246
223 1H5M T 20 H51 T 20 -3.882 -21.200 7.580
224 2H5M T 20 H52 T 20 -5.511 -20.673 8.117
225 3H5M T 20 H53 T 20 -5.306 -22.268 7.394
226 H6 T 20 H6 T 20 -7.291 -21.040 6.322
227 1H5* G 21 1H5' G 21 -10.354 -20.178 0.560
228 2H5* G 21 2H5' G 21 -11.208 -21.473 -0.295
229 H4* G 21 H4' G 21 -9.170 -21.089 -1.494
230 H3* G 21 H3' G 21 -9.794 -23.581 -0.547
231 H1* G 21 H1' G 21 -6.460 -22.299 -1.121
232 H8 G 21 H8 G 21 -6.963 -22.434 2.475
233 H1 G 21 H1 G 21 -0.829 -21.724 0.927
234 1H2 G 21 1H2 G 21 -0.718 -21.420 -1.317
235 2H2 G 21 2H2 G 21 -2.168 -21.474 -2.318
236 1H2* G 21 1H2' G 21 -7.993 -23.425 1.036
237 2H2* G 21 2H2' G 21 -7.088 -24.149 -0.331
238 1H5* G 22 1H5' G 22 -7.392 -22.417 -4.516
239 2H5* G 22 2H5' G 22 -7.980 -23.574 -5.724
240 H4* G 22 H4' G 22 -5.850 -22.505 -6.424
241 H3* G 22 H3' G 22 -6.179 -25.145 -6.905
242 H1* G 22 H1' G 22 -2.971 -24.062 -5.085
243 H8 G 22 H8 G 22 -5.868 -24.566 -2.613
244 H1 G 22 H1 G 22 -0.082 -24.751 0.093
245 1H2 G 22 1H2 G 22 1.488 -24.477 -1.515
246 2H2 G 22 2H2 G 22 1.028 -24.157 -3.181
247 H3T G 22 H3T G 22 -3.979 -23.392 -6.952
248 1H2* G 22 1H2' G 22 -5.447 -25.640 -4.529
249 2H2* G 22 2H2' G 22 -4.061 -26.048 -5.618
250 1H1 BPI 25 H1 BPH 1 -7.698 -9.712 7.739
251 H2 BPI 25 H2 BPH 1 -8.410 -7.479 9.893
252 2HO BPI 25 HO2 BPH 1 -9.907 -8.412 7.631
253 H3 BPI 25 H3 BPH 1 -10.051 -9.043 10.757
254 3HO BPI 25 HO3 BPH 1 -10.460 -10.922 9.572
255 H4 BPI 25 H4 BPH 1 -8.485 -10.182 11.884
256 4HO BPI 25 HO4 BPH 1 -8.133 -8.028 12.336
257 H5 BPI 25 H5 BPH 1 -6.344 -11.197 12.284
258 H6 BPI 25 H6 BPH 1 -4.180 -11.910 11.467
259 H7 BPI 25 H7 BPH 1 -2.330 -11.677 9.859
260 H8 BPI 25 H8 BPH 1 -1.389 -10.435 7.951
261 H9 BPI 25 H9 BPH 1 -1.785 -9.840 5.521
262 H10 BPI 25 H10 BPH 1 -3.399 -9.527 3.635
263 H11 BPI 25 H11 BPH 1 -5.952 -9.835 4.179
264 H12 BPI 25 H12 BPH 1 -6.651 -10.380 6.216
Start of MODEL 6
1 1H5* C 1 1H5' C 1 5.619 -29.440 4.026
2 2H5* C 1 2H5' C 1 5.527 -30.465 2.580
3 H4* C 1 H4' C 1 5.505 -28.473 1.145
4 H3* C 1 H3' C 1 5.818 -27.006 3.722
5 H1* C 1 H1' C 1 3.298 -27.027 0.605
6 1H4 C 1 1H4 C 1 -2.204 -25.224 3.073
7 2H4 C 1 2H4 C 1 -1.631 -25.352 4.729
8 H5 C 1 H5 C 1 0.672 -26.307 5.238
9 H6 C 1 H6 C 1 2.744 -26.974 4.203
10 H5T C 1 H5T C 1 7.364 -28.450 2.540
11 1H2* C 1 1H2' C 1 4.184 -25.511 2.983
12 2H2* C 1 2H2' C 1 4.850 -25.538 1.298
13 1H5* C 2 1H5' C 2 6.255 -25.838 -0.516
14 2H5* C 2 2H5' C 2 7.378 -24.557 -1.028
15 H4* C 2 H4' C 2 5.140 -24.372 -2.103
16 H3* C 2 H3' C 2 6.379 -22.181 -0.585
17 H1* C 2 H1' C 2 2.769 -22.921 -1.269
18 1H4 C 2 1H4 C 2 -0.589 -22.689 4.180
19 2H4 C 2 2H4 C 2 0.821 -22.745 5.225
20 H5 C 2 H5 C 2 3.282 -23.075 4.041
21 H6 C 2 H6 C 2 4.263 -23.144 2.193
22 1H2* C 2 1H2' C 2 4.760 -21.760 0.722
23 2H2* C 2 2H2' C 2 4.026 -21.040 -0.722
24 1H5* A 3 1H5' A 3 1.374 -22.463 -3.592
25 2H5* A 3 2H5' A 3 1.960 -21.307 -4.798
26 H4* A 3 H4' A 3 -0.155 -20.670 -4.032
27 H3* A 3 H3' A 3 2.106 -18.903 -3.685
28 H1* A 3 H1' A 3 -1.258 -19.016 -1.915
29 H8 A 3 H8 A 3 1.825 -19.441 0.364
30 1H6 A 3 1H6 A 3 -2.148 -19.419 5.146
31 2H6 A 3 2H6 A 3 -0.459 -19.411 4.682
32 H2 A 3 H2 A 3 -4.493 -19.116 1.359
33 1H2* A 3 1H2' A 3 1.544 -18.237 -1.538
34 2H2* A 3 2H2' A 3 0.072 -17.475 -2.155
35 1H5* T 4 1H5' T 4 -2.384 -17.683 -4.320
36 2H5* T 4 2H5' T 4 -2.562 -16.194 -5.276
37 H4* T 4 H4' T 4 -4.236 -16.263 -3.413
38 H3* T 4 H3' T 4 -2.162 -14.161 -3.480
39 1H2* T 4 1H2' T 4 -2.247 -13.933 -1.321
40 2H2* T 4 2H2' T 4 -4.058 -13.709 -1.316
41 H1* T 4 H1' T 4 -4.522 -15.818 -0.829
42 H3 T 4 H3 T 4 -2.923 -16.476 3.369
43 1H5M T 4 H51 T 4 1.301 -16.665 0.284
44 2H5M T 4 H52 T 4 1.277 -14.923 0.582
45 3H5M T 4 H53 T 4 1.534 -16.060 1.936
46 H6 T 4 H6 T 4 -0.962 -15.575 -0.868
47 1H5* C 5 1H5' C 5 -7.044 -13.546 -3.094
48 2H5* C 5 2H5' C 5 -7.849 -12.017 -3.440
49 H4* C 5 H4' C 5 -7.814 -12.071 -1.141
50 H3* C 5 H3' C 5 -5.466 -10.410 -1.865
51 H1* C 5 H1' C 5 -6.787 -12.113 1.251
52 1H4 C 5 1H4 C 5 -1.250 -13.158 4.179
53 2H4 C 5 2H4 C 5 -0.297 -12.770 2.748
54 H5 C 5 H5 C 5 -1.411 -11.854 0.718
55 H6 C 5 H6 C 5 -3.698 -11.502 -0.318
56 1H2* C 5 1H2' C 5 -5.128 -10.052 0.207
57 2H2* C 5 2H2' C 5 -6.834 -10.089 0.734
58 1H5* +G 6 1H5' G 6 -9.380 -11.097 0.189
59 2H5* +G 6 2H5' G 6 -11.011 -10.455 -0.076
60 H4* +G 6 H4' G 6 -10.473 -10.478 2.246
61 H3* +G 6 H3' G 6 -11.043 -7.955 0.776
62 H1* +G 6 H1' G 6 -9.140 -8.509 4.043
63 H8 +G 6 H8 G 6 -7.230 -6.875 1.158
64 H1 +G 6 H1 G 6 -4.580 -6.516 6.989
65 1H2 +G 6 1H2 G 6 -6.053 -7.426 8.457
66 1H2* +G 6 1H2' G 6 -9.413 -6.698 1.768
67 2H2* +G 6 2H2' G 6 -10.272 -6.973 3.307
68 1H5* C 7 1H5' C 7 -12.787 -8.985 5.055
69 2H5* C 7 2H5' C 7 -14.238 -8.345 5.837
70 H4* C 7 H4' C 7 -12.432 -7.554 7.032
71 H3* C 7 H3' C 7 -13.990 -5.568 5.553
72 H1* C 7 H1' C 7 -10.514 -5.806 7.413
73 1H4 C 7 1H4 C 7 -5.449 -3.108 4.847
74 2H4 C 7 2H4 C 7 -6.198 -3.017 3.257
75 H5 C 7 H5 C 7 -8.519 -3.857 2.867
76 H6 C 7 H6 C 7 -10.436 -4.871 3.963
77 1H2* C 7 1H2' C 7 -11.915 -4.257 5.304
78 2H2* C 7 2H2' C 7 -11.951 -4.116 7.088
79 1H5* T 8 1H5' T 8 -12.263 -5.792 9.889
80 2H5* T 8 2H5' T 8 -13.520 -5.138 10.970
81 H4* T 8 H4' T 8 -11.261 -4.797 12.010
82 H3* T 8 H3' T 8 -13.062 -2.740 11.600
83 1H2* T 8 1H2' T 8 -11.547 -1.712 10.194
84 2H2* T 8 2H2' T 8 -10.696 -1.166 11.675
85 H1* T 8 H1' T 8 -9.279 -2.811 11.824
86 H3 T 8 H3 T 8 -6.465 -0.770 8.663
87 1H5M T 8 H51 T 8 -11.234 -1.057 6.536
88 2H5M T 8 H52 T 8 -9.842 -1.084 5.420
89 3H5M T 8 H53 T 8 -10.588 -2.613 5.987
90 H6 T 8 H6 T 8 -10.864 -2.588 8.723
91 1H5* A 9 1H5' A 9 -10.537 0.302 13.266
92 2H5* A 9 2H5' A 9 -9.389 -1.091 13.410
93 H4* A 9 H4' A 9 -8.480 0.315 15.494
94 H3* A 9 H3' A 9 -10.937 1.455 15.298
95 H1* A 9 H1' A 9 -7.849 2.991 13.630
96 H8 A 9 H8 A 9 -10.430 1.396 11.102
97 1H6 A 9 1H6 A 9 -6.333 2.297 6.578
98 2H6 A 9 2H6 A 9 -7.924 1.708 6.991
99 H2 A 9 H2 A 9 -4.384 3.410 10.478
100 1H2* A 9 1H2' A 9 -10.614 2.250 13.054
101 2H2* A 9 2H2' A 9 -9.854 3.619 13.898
102 1H5* C 10 1H5' C 10 -7.784 4.043 16.608
103 2H5* C 10 2H5' C 10 -7.934 5.629 17.385
104 H4* C 10 H4' C 10 -6.726 5.671 15.148
105 H3* C 10 H3' C 10 -9.171 7.239 15.656
106 H1* C 10 H1' C 10 -6.902 6.001 12.776
107 1H4 C 10 1H4 C 10 -9.465 4.250 7.464
108 2H4 C 10 2H4 C 10 -11.080 4.017 8.121
109 H5 C 10 H5 C 10 -11.506 4.479 10.709
110 H6 C 10 H6 C 10 -10.345 5.335 12.662
111 1H2* C 10 1H2' C 10 -9.649 6.899 13.368
112 2H2* C 10 2H2' C 10 -8.131 7.814 12.930
113 1H5* C 11 1H5' C 11 -3.758 7.985 12.323
114 2H5* C 11 2H5' C 11 -3.875 9.219 13.581
115 H4* C 11 H4' C 11 -4.530 10.392 11.589
116 H3* C 11 H3' C 11 -6.883 9.635 13.145
117 H1* C 11 H1' C 11 -6.239 10.328 9.359
118 1H4 C 11 1H4 C 11 -10.948 7.016 6.995
119 2H4 C 11 2H4 C 11 -11.826 6.932 8.521
120 H5 C 11 H5 C 11 -10.969 8.055 10.521
121 H6 C 11 H6 C 11 -8.959 9.281 11.453
122 H3T C 11 H3T C 11 -5.550 10.834 14.286
123 1H2* C 11 1H2' C 11 -7.990 11.095 11.432
124 2H2* C 11 2H2' C 11 -6.346 11.765 11.112
125 1H5* G 12 1H5' G 12 -8.527 7.899 -3.607
126 2H5* G 12 2H5' G 12 -8.466 9.668 -3.703
127 H4* G 12 H4' G 12 -6.576 9.692 -2.126
128 H3* G 12 H3' G 12 -6.431 6.848 -2.699
129 H1* G 12 H1' G 12 -6.874 8.739 0.469
130 H8 G 12 H8 G 12 -10.294 6.943 -0.071
131 H1 G 12 H1 G 12 -8.506 8.178 5.954
132 1H2 G 12 1H2 G 12 -6.454 9.261 5.839
133 2H2 G 12 2H2 G 12 -5.597 9.292 4.288
134 H5T G 12 H5T G 12 -6.062 8.427 -4.083
135 1H2* G 12 1H2' G 12 -7.966 6.399 -1.034
136 2H2* G 12 2H2' G 12 -6.478 6.420 -0.020
137 1H5* G 13 1H5' G 13 -4.149 11.020 1.461
138 2H5* G 13 2H5' G 13 -2.733 10.536 0.522
139 H4* G 13 H4' G 13 -2.424 10.124 3.094
140 H3* G 13 H3' G 13 -1.736 8.192 1.165
141 H1* G 13 H1' G 13 -2.833 7.887 4.583
142 H8 G 13 H8 G 13 -5.420 6.363 2.202
143 H1 G 13 H1 G 13 -6.813 5.339 8.351
144 1H2 G 13 1H2 G 13 -5.237 6.457 9.614
145 2H2 G 13 2H2 G 13 -3.915 7.335 8.855
146 1H2* G 13 1H2' G 13 -3.286 6.647 2.056
147 2H2* G 13 2H2' G 13 -2.108 6.580 3.366
148 1H5* T 14 1H5' T 14 0.724 9.060 5.635
149 2H5* T 14 2H5' T 14 2.444 8.657 5.732
150 H4* T 14 H4' T 14 1.396 7.201 7.275
151 H3* T 14 H3' T 14 2.319 5.931 4.870
152 1H2* T 14 1H2' T 14 0.821 4.365 5.011
153 2H2* T 14 2H2' T 14 1.418 3.939 6.688
154 H1* T 14 H1' T 14 -0.064 5.111 7.742
155 H3 T 14 H3 T 14 -4.198 3.309 7.590
156 1H5M T 14 H51 T 14 -2.356 3.040 2.655
157 2H5M T 14 H52 T 14 -4.133 3.112 2.908
158 3H5M T 14 H53 T 14 -3.201 4.584 2.609
159 H6 T 14 H6 T 14 -1.057 4.698 4.244
160 1H5* A 15 1H5' A 15 1.371 5.284 10.365
161 2H5* A 15 2H5' A 15 2.877 4.587 10.993
162 H4* A 15 H4' A 15 0.892 3.242 11.642
163 H3* A 15 H3' A 15 3.071 2.041 10.100
164 H1* A 15 H1' A 15 -0.523 1.160 10.716
165 H8 A 15 H8 A 15 0.405 1.281 7.018
166 1H6 A 15 1H6 A 15 -5.573 -0.412 6.180
167 2H6 A 15 2H6 A 15 -4.057 -0.142 5.338
168 H2 A 15 H2 A 15 -4.752 0.248 10.548
169 1H2* A 15 1H2' A 15 1.646 0.717 8.866
170 2H2* A 15 2H2' A 15 0.967 -0.026 10.286
171 1H5* G 16 1H5' G 16 -0.059 0.022 13.616
172 2H5* G 16 2H5' G 16 1.078 -1.057 14.436
173 H4* G 16 H4' G 16 -1.051 -2.224 14.252
174 H3* G 16 H3' G 16 1.387 -3.244 13.239
175 H1* G 16 H1' G 16 -1.917 -3.951 12.068
176 H8 G 16 H8 G 16 -0.139 -2.108 9.174
177 H1 G 16 H1 G 16 -6.062 -3.953 7.593
178 1H2 G 16 1H2 G 16 -7.094 -4.806 9.348
179 2H2 G 16 2H2 G 16 -6.314 -4.933 10.924
180 1H2* G 16 1H2' G 16 0.690 -2.913 11.085
181 2H2* G 16 2H2' G 16 0.177 -4.620 11.349
182 1H5* C 17 1H5' C 17 -1.808 -6.104 15.087
183 2H5* C 17 2H5' C 17 -1.271 -7.678 15.726
184 H4* C 17 H4' C 17 -3.486 -7.852 14.599
185 H3* C 17 H3' C 17 -1.446 -9.571 14.314
186 H1* C 17 H1' C 17 -3.800 -8.402 11.669
187 1H4 C 17 1H4 C 17 -2.477 -5.366 6.204
188 2H4 C 17 2H4 C 17 -0.808 -5.131 6.667
189 H5 C 17 H5 C 17 0.116 -5.980 8.703
190 H6 C 17 H6 C 17 -0.430 -7.089 10.892
191 1H2* C 17 1H2' C 17 -0.845 -8.465 12.395
192 2H2* C 17 2H2' C 17 -1.702 -9.919 11.654
193 1H5* G 18 1H5' G 18 -5.879 -12.026 13.751
194 2H5* G 18 2H5' G 18 -5.786 -13.232 15.046
195 H4* G 18 H4' G 18 -6.685 -14.118 12.953
196 H3* G 18 H3' G 18 -4.358 -15.315 14.226
197 H1* G 18 H1' G 18 -5.708 -15.112 10.505
198 H8 G 18 H8 G 18 -1.883 -14.114 10.954
199 H1 G 18 H1 G 18 -4.119 -13.530 5.021
200 1H2 G 18 1H2 G 18 -6.302 -13.830 4.968
201 2H2 G 18 2H2 G 18 -7.203 -14.435 6.368
202 1H2* G 18 1H2' G 18 -3.217 -15.615 12.257
203 2H2* G 18 2H2' G 18 -4.408 -16.797 11.748
204 1H5* A 19 1H5' A 19 -9.264 -14.944 10.866
205 2H5* A 19 2H5' A 19 -9.885 -16.235 11.905
206 H4* A 19 H4' A 19 -10.014 -16.758 9.461
207 H3* A 19 H3' A 19 -8.558 -18.635 11.236
208 H1* A 19 H1' A 19 -8.094 -17.632 7.361
209 H8 A 19 H8 A 19 -5.372 -18.549 9.967
210 1H6 A 19 1H6 A 19 -1.457 -17.062 5.369
211 2H6 A 19 2H6 A 19 -1.562 -17.606 7.034
212 H2 A 19 H2 A 19 -5.630 -16.268 3.997
213 1H2* A 19 1H2' A 19 -7.404 -19.533 9.546
214 2H2* A 19 2H2' A 19 -8.797 -19.485 8.456
215 1H5* T 20 1H5' T 20 -10.814 -18.341 7.877
216 2H5* T 20 2H5' T 20 -12.250 -19.334 7.484
217 H4* T 20 H4' T 20 -11.060 -18.567 5.416
218 H3* T 20 H3' T 20 -11.666 -21.271 6.020
219 1H2* T 20 1H2' T 20 -9.429 -22.045 5.690
220 2H2* T 20 2H2' T 20 -9.956 -21.763 4.023
221 H1* T 20 H1' T 20 -8.925 -19.661 3.854
222 H3 T 20 H3 T 20 -4.375 -19.626 4.222
223 1H5M T 20 H51 T 20 -6.069 -22.740 8.086
224 2H5M T 20 H52 T 20 -4.549 -21.843 8.361
225 3H5M T 20 H53 T 20 -6.109 -21.181 8.919
226 H6 T 20 H6 T 20 -7.920 -21.213 6.990
227 1H5* G 21 1H5' G 21 -9.867 -18.636 0.720
228 2H5* G 21 2H5' G 21 -11.140 -19.688 0.081
229 H4* G 21 H4' G 21 -9.130 -20.077 -1.186
230 H3* G 21 H3' G 21 -10.509 -22.137 -0.036
231 H1* G 21 H1' G 21 -6.964 -22.090 -0.667
232 H8 G 21 H8 G 21 -7.387 -22.025 2.980
233 H1 G 21 H1 G 21 -1.265 -22.389 1.260
234 1H2 G 21 1H2 G 21 -1.134 -22.072 -0.996
235 2H2 G 21 2H2 G 21 -2.592 -21.874 -1.965
236 1H2* G 21 1H2' G 21 -8.751 -22.456 1.550
237 2H2* G 21 2H2' G 21 -8.127 -23.535 0.263
238 1H5* G 22 1H5' G 22 -8.062 -21.940 -4.063
239 2H5* G 22 2H5' G 22 -8.928 -23.004 -5.192
240 H4* G 22 H4' G 22 -6.650 -22.430 -5.988
241 H3* G 22 H3' G 22 -7.535 -24.953 -6.355
242 H1* G 22 H1' G 22 -4.121 -24.494 -4.639
243 H8 G 22 H8 G 22 -6.986 -24.474 -2.054
244 H1 G 22 H1 G 22 -1.159 -25.332 0.434
245 1H2 G 22 1H2 G 22 0.352 -25.299 -1.254
246 2H2 G 22 2H2 G 22 -0.126 -24.923 -2.903
247 H3T G 22 H3T G 22 -5.015 -23.718 -6.507
248 1H2* G 22 1H2' G 22 -6.853 -25.536 -3.991
249 2H2* G 22 2H2' G 22 -5.598 -26.230 -5.090
250 1H1 BPI 25 H1 BPH 1 -7.500 -9.743 7.355
251 H2 BPI 25 H2 BPH 1 -8.531 -7.718 9.552
252 2HO BPI 25 HO2 BPH 1 -10.231 -8.170 7.601
253 H3 BPI 25 H3 BPH 1 -10.003 -9.486 10.212
254 3HO BPI 25 HO3 BPH 1 -9.257 -11.553 8.822
255 H4 BPI 25 H4 BPH 1 -8.378 -10.499 11.408
256 4HO BPI 25 HO4 BPH 1 -7.612 -8.661 12.211
257 H5 BPI 25 H5 BPH 1 -6.120 -11.227 11.919
258 H6 BPI 25 H6 BPH 1 -3.913 -11.809 11.120
259 H7 BPI 25 H7 BPH 1 -2.060 -11.503 9.480
260 H8 BPI 25 H8 BPH 1 -1.189 -10.206 7.616
261 H9 BPI 25 H9 BPH 1 -1.601 -9.619 5.181
262 H10 BPI 25 H10 BPH 1 -3.226 -9.391 3.283
263 H11 BPI 25 H11 BPH 1 -5.745 -9.855 3.808
264 H12 BPI 25 H12 BPH 1 -6.450 -10.370 5.855
Start of MODEL 7
1 1H5* C 1 1H5' C 1 7.729 -29.137 2.502
2 2H5* C 1 2H5' C 1 6.537 -28.991 3.775
3 H4* C 1 H4' C 1 6.201 -28.337 0.808
4 H3* C 1 H3' C 1 6.613 -26.558 3.166
5 H1* C 1 H1' C 1 3.864 -27.032 0.269
6 1H4 C 1 1H4 C 1 -1.500 -25.153 2.953
7 2H4 C 1 2H4 C 1 -0.834 -25.178 4.579
8 H5 C 1 H5 C 1 1.539 -26.100 4.999
9 H6 C 1 H6 C 1 3.526 -26.787 3.876
10 H5T C 1 H5T C 1 5.227 -30.450 2.426
11 1H2* C 1 1H2' C 1 4.790 -25.289 2.476
12 2H2* C 1 2H2' C 1 5.352 -25.362 0.758
13 1H5* C 2 1H5' C 2 6.464 -25.490 -1.244
14 2H5* C 2 2H5' C 2 7.602 -24.219 -1.774
15 H4* C 2 H4' C 2 5.365 -23.930 -2.814
16 H3* C 2 H3' C 2 6.691 -21.871 -1.252
17 H1* C 2 H1' C 2 3.034 -22.462 -1.878
18 1H4 C 2 1H4 C 2 -0.147 -22.459 3.736
19 2H4 C 2 2H4 C 2 1.314 -22.592 4.702
20 H5 C 2 H5 C 2 3.689 -22.958 3.405
21 H6 C 2 H6 C 2 4.596 -22.969 1.515
22 1H2* C 2 1H2' C 2 5.106 -21.519 0.131
23 2H2* C 2 2H2' C 2 4.303 -20.673 -1.227
24 1H5* A 3 1H5' A 3 3.116 -20.899 -4.136
25 2H5* A 3 2H5' A 3 3.509 -19.439 -5.066
26 H4* A 3 H4' A 3 1.205 -19.437 -4.541
27 H3* A 3 H3' A 3 2.963 -17.343 -3.748
28 H1* A 3 H1' A 3 -0.333 -18.380 -2.267
29 H8 A 3 H8 A 3 2.548 -18.843 0.259
30 1H6 A 3 1H6 A 3 -1.752 -19.618 4.609
31 2H6 A 3 2H6 A 3 -0.051 -19.437 4.237
32 H2 A 3 H2 A 3 -3.853 -19.048 0.635
33 1H2* A 3 1H2' A 3 2.331 -17.350 -1.461
34 2H2* A 3 2H2' A 3 0.788 -16.674 -2.000
35 1H5* T 4 1H5' T 4 -1.599 -16.691 -5.287
36 2H5* T 4 2H5' T 4 -2.233 -15.217 -6.075
37 H4* T 4 H4' T 4 -3.532 -15.575 -4.156
38 H3* T 4 H3' T 4 -1.632 -13.353 -3.814
39 1H2* T 4 1H2' T 4 -2.054 -13.312 -1.685
40 2H2* T 4 2H2' T 4 -3.851 -13.390 -1.828
41 H1* T 4 H1' T 4 -3.937 -15.618 -1.612
42 H3 T 4 H3 T 4 -2.789 -16.392 2.647
43 1H5M T 4 H51 T 4 1.625 -15.060 1.887
44 2H5M T 4 H52 T 4 1.755 -15.525 0.164
45 3H5M T 4 H53 T 4 1.320 -13.866 0.603
46 H6 T 4 H6 T 4 -0.509 -14.749 -1.215
47 1H5* C 5 1H5' C 5 -7.247 -14.055 -2.443
48 2H5* C 5 2H5' C 5 -7.602 -12.463 -3.162
49 H4* C 5 H4' C 5 -8.089 -12.395 -0.711
50 H3* C 5 H3' C 5 -5.689 -10.850 -1.589
51 H1* C 5 H1' C 5 -6.946 -12.279 1.730
52 1H4 C 5 1H4 C 5 -1.308 -13.317 4.401
53 2H4 C 5 2H4 C 5 -0.385 -12.893 2.955
54 H5 C 5 H5 C 5 -1.578 -11.958 0.981
55 H6 C 5 H6 C 5 -3.890 -11.628 0.016
56 1H2* C 5 1H2' C 5 -5.382 -10.233 0.533
57 2H2* C 5 2H2' C 5 -7.107 -10.345 0.980
58 1H5* +G 6 1H5' G 6 -9.638 -11.340 0.485
59 2H5* +G 6 2H5' G 6 -11.246 -10.640 0.262
60 H4* +G 6 H4' G 6 -10.596 -10.549 2.506
61 H3* +G 6 H3' G 6 -11.089 -8.064 0.938
62 H1* +G 6 H1' G 6 -9.148 -8.585 4.195
63 H8 +G 6 H8 G 6 -7.192 -7.078 1.282
64 H1 +G 6 H1 G 6 -4.629 -6.659 7.141
65 1H2 +G 6 1H2 G 6 -6.137 -7.466 8.587
66 1H2* +G 6 1H2' G 6 -9.379 -6.838 1.870
67 2H2* +G 6 2H2' G 6 -10.252 -7.042 3.431
68 1H5* C 7 1H5' C 7 -12.730 -8.884 5.277
69 2H5* C 7 2H5' C 7 -14.147 -8.163 6.089
70 H4* C 7 H4' C 7 -12.279 -7.441 7.208
71 H3* C 7 H3' C 7 -13.939 -5.466 5.881
72 H1* C 7 H1' C 7 -10.382 -5.604 7.400
73 1H4 C 7 1H4 C 7 -5.259 -3.179 4.765
74 2H4 C 7 2H4 C 7 -5.973 -3.109 3.154
75 H5 C 7 H5 C 7 -8.327 -3.935 2.766
76 H6 C 7 H6 C 7 -10.254 -4.869 3.872
77 1H2* C 7 1H2' C 7 -11.837 -4.357 5.092
78 2H2* C 7 2H2' C 7 -11.735 -3.893 6.824
79 1H5* T 8 1H5' T 8 -12.530 -5.866 10.445
80 2H5* T 8 2H5' T 8 -13.409 -5.277 11.836
81 H4* T 8 H4' T 8 -11.259 -4.291 12.087
82 H3* T 8 H3' T 8 -13.266 -2.439 11.399
83 1H2* T 8 1H2' T 8 -11.778 -1.474 9.990
84 2H2* T 8 2H2' T 8 -10.834 -0.913 11.403
85 H1* T 8 H1' T 8 -9.444 -2.551 11.501
86 H3 T 8 H3 T 8 -6.571 -0.796 8.390
87 1H5M T 8 H51 T 8 -11.397 -0.638 6.309
88 2H5M T 8 H52 T 8 -10.087 -0.721 5.157
89 3H5M T 8 H53 T 8 -10.852 -2.223 5.643
90 H6 T 8 H6 T 8 -11.120 -2.228 8.461
91 1H5* A 9 1H5' A 9 -10.749 0.605 12.864
92 2H5* A 9 2H5' A 9 -9.596 -0.706 13.220
93 H4* A 9 H4' A 9 -8.791 0.894 15.176
94 H3* A 9 H3' A 9 -11.217 2.046 14.807
95 H1* A 9 H1' A 9 -8.160 3.344 13.064
96 H8 A 9 H8 A 9 -10.595 1.591 10.494
97 1H6 A 9 1H6 A 9 -6.163 2.140 6.212
98 2H6 A 9 2H6 A 9 -7.776 1.575 6.538
99 H2 A 9 H2 A 9 -4.455 3.387 10.174
100 1H2* A 9 1H2' A 9 -10.869 2.391 12.428
101 2H2* A 9 2H2' A 9 -10.313 3.903 13.023
102 1H5* C 10 1H5' C 10 -7.484 4.340 16.056
103 2H5* C 10 2H5' C 10 -7.203 5.939 16.769
104 H4* C 10 H4' C 10 -6.429 6.020 14.476
105 H3* C 10 H3' C 10 -8.806 7.586 15.144
106 H1* C 10 H1' C 10 -6.699 6.433 12.134
107 1H4 C 10 1H4 C 10 -8.998 4.335 6.868
108 2H4 C 10 2H4 C 10 -10.659 4.184 7.431
109 H5 C 10 H5 C 10 -11.191 4.775 9.940
110 H6 C 10 H6 C 10 -10.101 5.729 11.937
111 1H2* C 10 1H2' C 10 -9.435 7.089 12.911
112 2H2* C 10 2H2' C 10 -8.044 8.144 12.348
113 1H5* C 11 1H5' C 11 -3.457 8.464 11.793
114 2H5* C 11 2H5' C 11 -3.629 9.664 13.083
115 H4* C 11 H4' C 11 -4.461 10.753 11.147
116 H3* C 11 H3' C 11 -6.773 9.819 12.725
117 H1* C 11 H1' C 11 -6.239 10.526 8.954
118 1H4 C 11 1H4 C 11 -10.747 6.823 6.839
119 2H4 C 11 2H4 C 11 -11.782 7.113 8.231
120 H5 C 11 H5 C 11 -10.977 8.434 10.169
121 H6 C 11 H6 C 11 -9.011 9.686 11.059
122 H3T C 11 H3T C 11 -5.408 11.083 13.889
123 1H2* C 11 1H2' C 11 -7.901 11.380 11.063
124 2H2* C 11 2H2' C 11 -6.229 11.972 10.745
125 1H5* G 12 1H5' G 12 -8.123 8.215 -4.596
126 2H5* G 12 2H5' G 12 -9.080 7.079 -3.642
127 H4* G 12 H4' G 12 -7.389 9.382 -2.537
128 H3* G 12 H3' G 12 -6.474 6.777 -3.181
129 H1* G 12 H1' G 12 -6.934 8.406 0.144
130 H8 G 12 H8 G 12 -9.919 5.901 -0.095
131 H1 G 12 H1 G 12 -8.298 7.837 5.779
132 1H2 G 12 1H2 G 12 -6.526 9.243 5.593
133 2H2 G 12 2H2 G 12 -5.759 9.531 4.026
134 H5T G 12 H5T G 12 -10.138 9.039 -2.807
135 1H2* G 12 1H2' G 12 -7.653 5.880 -1.299
136 2H2* G 12 2H2' G 12 -6.085 6.278 -0.542
137 1H5* G 13 1H5' G 13 -4.026 9.993 -0.214
138 2H5* G 13 2H5' G 13 -2.337 9.790 -0.729
139 H4* G 13 H4' G 13 -2.345 10.125 1.793
140 H3* G 13 H3' G 13 -1.133 7.909 0.567
141 H1* G 13 H1' G 13 -2.554 8.218 3.815
142 H8 G 13 H8 G 13 -4.955 6.247 1.576
143 H1 G 13 H1 G 13 -6.382 5.455 7.752
144 1H2 G 13 1H2 G 13 -4.941 6.703 8.977
145 2H2 G 13 2H2 G 13 -3.652 7.653 8.233
146 1H2* G 13 1H2' G 13 -2.800 6.562 1.585
147 2H2* G 13 2H2' G 13 -1.629 6.717 2.972
148 1H5* T 14 1H5' T 14 0.224 8.835 5.255
149 2H5* T 14 2H5' T 14 1.966 8.488 5.232
150 H4* T 14 H4' T 14 0.970 7.249 7.192
151 H3* T 14 H3' T 14 2.290 5.914 5.114
152 1H2* T 14 1H2' T 14 0.707 4.371 5.004
153 2H2* T 14 2H2' T 14 1.211 3.899 6.706
154 H1* T 14 H1' T 14 -0.348 5.026 7.714
155 H3 T 14 H3 T 14 -4.294 2.865 7.138
156 1H5M T 14 H51 T 14 -3.052 4.585 2.345
157 2H5M T 14 H52 T 14 -2.099 3.120 2.329
158 3H5M T 14 H53 T 14 -3.890 3.018 2.456
159 H6 T 14 H6 T 14 -1.092 4.738 4.136
160 1H5* A 15 1H5' A 15 1.786 5.094 9.715
161 2H5* A 15 2H5' A 15 3.173 4.342 10.520
162 H4* A 15 H4' A 15 1.044 3.316 11.364
163 H3* A 15 H3' A 15 3.118 1.750 10.104
164 H1* A 15 H1' A 15 -0.556 1.247 10.666
165 H8 A 15 H8 A 15 0.397 1.190 6.981
166 1H6 A 15 1H6 A 15 -5.551 -0.526 6.060
167 2H6 A 15 2H6 A 15 -4.002 -0.289 5.269
168 H2 A 15 H2 A 15 -4.814 0.224 10.448
169 1H2* A 15 1H2' A 15 1.561 0.533 8.838
170 2H2* A 15 2H2' A 15 0.838 -0.081 10.314
171 1H5* G 16 1H5' G 16 -0.083 -0.010 13.640
172 2H5* G 16 2H5' G 16 1.022 -1.084 14.520
173 H4* G 16 H4' G 16 -1.120 -2.242 14.275
174 H3* G 16 H3' G 16 1.341 -3.282 13.357
175 H1* G 16 H1' G 16 -1.967 -3.939 12.113
176 H8 G 16 H8 G 16 -0.045 -2.234 9.226
177 H1 G 16 H1 G 16 -5.972 -3.999 7.565
178 1H2 G 16 1H2 G 16 -7.060 -4.733 9.343
179 2H2 G 16 2H2 G 16 -6.284 -4.882 10.924
180 1H2* G 16 1H2' G 16 0.703 -3.019 11.166
181 2H2* G 16 2H2' G 16 0.152 -4.704 11.482
182 1H5* C 17 1H5' C 17 -1.930 -5.940 15.200
183 2H5* C 17 2H5' C 17 -1.531 -7.528 15.894
184 H4* C 17 H4' C 17 -3.757 -7.510 14.805
185 H3* C 17 H3' C 17 -2.025 -9.515 14.619
186 H1* C 17 H1' C 17 -4.104 -8.204 11.839
187 1H4 C 17 1H4 C 17 -2.395 -5.634 6.308
188 2H4 C 17 2H4 C 17 -0.723 -5.474 6.807
189 H5 C 17 H5 C 17 0.079 -6.217 8.949
190 H6 C 17 H6 C 17 -0.643 -7.160 11.194
191 1H2* C 17 1H2' C 17 -1.184 -8.519 12.672
192 2H2* C 17 2H2' C 17 -2.174 -9.899 11.965
193 1H5* G 18 1H5' G 18 -3.367 -13.890 15.177
194 2H5* G 18 2H5' G 18 -2.606 -14.054 13.589
195 H4* G 18 H4' G 18 -5.592 -13.869 14.147
196 H3* G 18 H3' G 18 -4.152 -16.160 14.338
197 H1* G 18 H1' G 18 -5.801 -15.165 10.852
198 H8 G 18 H8 G 18 -1.917 -14.202 11.157
199 H1 G 18 H1 G 18 -4.251 -13.779 5.259
200 1H2 G 18 1H2 G 18 -6.434 -14.115 5.257
201 2H2 G 18 2H2 G 18 -7.283 -14.760 6.679
202 1H2* G 18 1H2' G 18 -3.225 -16.090 12.177
203 2H2* G 18 2H2' G 18 -4.659 -17.045 11.758
204 1H5* A 19 1H5' A 19 -8.734 -15.137 10.692
205 2H5* A 19 2H5' A 19 -9.606 -16.471 11.482
206 H4* A 19 H4' A 19 -9.608 -16.868 9.121
207 H3* A 19 H3' A 19 -8.090 -18.710 10.825
208 H1* A 19 H1' A 19 -7.760 -17.671 6.962
209 H8 A 19 H8 A 19 -4.875 -18.394 9.433
210 1H6 A 19 1H6 A 19 -1.244 -16.915 4.622
211 2H6 A 19 2H6 A 19 -1.290 -17.492 6.278
212 H2 A 19 H2 A 19 -5.527 -16.386 3.391
213 1H2* A 19 1H2' A 19 -6.886 -19.498 9.174
214 2H2* A 19 2H2' A 19 -8.255 -19.613 8.050
215 1H5* T 20 1H5' T 20 -10.322 -18.596 7.406
216 2H5* T 20 2H5' T 20 -11.745 -19.647 7.158
217 H4* T 20 H4' T 20 -10.722 -19.097 4.942
218 H3* T 20 H3' T 20 -11.170 -21.674 5.906
219 1H2* T 20 1H2' T 20 -8.890 -22.341 5.650
220 2H2* T 20 2H2' T 20 -9.460 -22.384 3.970
221 H1* T 20 H1' T 20 -8.586 -20.277 3.421
222 H3 T 20 H3 T 20 -3.989 -19.791 3.558
223 1H5M T 20 H51 T 20 -3.872 -21.613 7.907
224 2H5M T 20 H52 T 20 -5.466 -21.004 8.456
225 3H5M T 20 H53 T 20 -5.337 -22.621 7.762
226 H6 T 20 H6 T 20 -7.295 -21.333 6.659
227 1H5* G 21 1H5' G 21 -10.498 -20.520 0.981
228 2H5* G 21 2H5' G 21 -11.430 -21.792 0.180
229 H4* G 21 H4' G 21 -9.418 -21.529 -1.115
230 H3* G 21 H3' G 21 -10.072 -23.951 -0.011
231 H1* G 21 H1' G 21 -6.725 -22.778 -0.821
232 H8 G 21 H8 G 21 -7.043 -22.782 2.790
233 H1 G 21 H1 G 21 -0.999 -22.215 0.880
234 1H2 G 21 1H2 G 21 -0.988 -21.996 -1.365
235 2H2 G 21 2H2 G 21 -2.496 -22.064 -2.287
236 1H2* G 21 1H2' G 21 -8.184 -23.814 1.451
237 2H2* G 21 2H2' G 21 -7.363 -24.591 0.071
238 1H5* G 22 1H5' G 22 -7.978 -23.159 -4.258
239 2H5* G 22 2H5' G 22 -8.657 -24.392 -5.340
240 H4* G 22 H4' G 22 -6.482 -23.498 -6.205
241 H3* G 22 H3' G 22 -7.003 -26.111 -6.413
242 H1* G 22 H1' G 22 -3.688 -25.026 -4.772
243 H8 G 22 H8 G 22 -6.501 -25.257 -2.145
244 H1 G 22 H1 G 22 -0.587 -25.344 0.259
245 1H2 G 22 1H2 G 22 0.891 -25.262 -1.481
246 2H2 G 22 2H2 G 22 0.326 -25.000 -3.124
247 H3T G 22 H3T G 22 -4.691 -24.542 -6.720
248 1H2* G 22 1H2' G 22 -6.241 -26.424 -4.035
249 2H2* G 22 2H2' G 22 -4.875 -27.014 -5.087
250 1H1 BPI 25 H1 BPH 1 -7.633 -9.772 7.580
251 H2 BPI 25 H2 BPH 1 -8.521 -7.601 9.727
252 2HO BPI 25 HO2 BPH 1 -9.778 -8.364 7.249
253 H3 BPI 25 H3 BPH 1 -10.175 -9.221 10.402
254 3HO BPI 25 HO3 BPH 1 -10.758 -10.398 8.635
255 H4 BPI 25 H4 BPH 1 -8.694 -10.352 11.616
256 4HO BPI 25 HO4 BPH 1 -7.153 -8.442 12.006
257 H5 BPI 25 H5 BPH 1 -6.516 -11.252 12.222
258 H6 BPI 25 H6 BPH 1 -4.282 -11.936 11.514
259 H7 BPI 25 H7 BPH 1 -2.370 -11.740 9.974
260 H8 BPI 25 H8 BPH 1 -1.365 -10.474 8.085
261 H9 BPI 25 H9 BPH 1 -1.657 -9.923 5.640
262 H10 BPI 25 H10 BPH 1 -3.214 -9.617 3.695
263 H11 BPI 25 H11 BPH 1 -5.731 -9.940 4.112
264 H12 BPI 25 H12 BPH 1 -6.541 -10.501 6.152
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