Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1442 | 1al5 RC | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* C 1 1H5' C 1 13.198 -10.651 6.418
2 2H5* C 1 2H5' C 1 11.611 -10.749 7.206
3 H4* C 1 H4' C 1 13.360 -9.848 8.733
4 H3* C 1 H3' C 1 11.225 -7.842 7.897
5 1H2* C 1 H2' C 1 12.193 -6.432 9.605
6 2HO* C 1 2HO C 1 12.487 -8.209 11.117
7 H1* C 1 H1' C 1 14.818 -7.149 8.928
8 1H4 C 1 1H4 C 1 12.648 -2.181 4.996
9 2H4 C 1 2H4 C 1 13.588 -1.429 6.264
10 H5 C 1 H5 C 1 12.155 -4.605 4.955
11 H6 C 1 H6 C 1 12.500 -6.687 6.103
12 H5T C 1 H5' C 1 12.510 -8.727 5.430
13 1H5* G 2 1H5' G 2 10.996 -7.866 12.370
14 2H5* G 2 2H5' G 2 9.288 -7.595 12.751
15 H4* G 2 H4' G 2 10.831 -5.894 13.730
16 H3* G 2 H3' G 2 8.843 -4.877 11.660
17 1H2* G 2 H2' G 2 9.535 -2.673 12.383
18 2HO* G 2 2HO G 2 10.872 -4.031 14.498
19 H1* G 2 H1' G 2 12.228 -3.383 12.506
20 H8 G 2 H8 G 2 10.545 -4.739 9.336
21 H1 G 2 H1 G 2 12.027 1.502 9.060
22 1H2 G 2 1H2 G 2 12.237 1.257 12.549
23 2H2 G 2 2H2 G 2 12.251 2.312 11.153
24 1H5* C 3 1H5' C 3 8.267 -2.433 15.263
25 2H5* C 3 2H5' C 3 6.546 -2.039 15.401
26 H4* C 3 H4' C 3 8.017 -0.026 15.302
27 H3* C 3 H3' C 3 6.134 -0.399 12.935
28 1H2* C 3 H2' C 3 6.777 1.902 12.394
29 2HO* C 3 2HO C 3 6.812 2.576 14.643
30 H1* C 3 H1' C 3 9.468 1.387 12.924
31 1H4 C 3 1H4 C 3 8.048 -0.801 6.777
32 2H4 C 3 2H4 C 3 8.656 0.831 6.597
33 H5 C 3 H5 C 3 7.605 -1.819 8.992
34 H6 C 3 H6 C 3 7.749 -1.472 11.358
35 1H5* A 4 1H5' A 4 5.131 3.622 14.565
36 2H5* A 4 2H5' A 4 3.383 3.816 14.351
37 H4* A 4 H4' A 4 4.733 5.596 13.224
38 H3* A 4 H3' A 4 3.144 3.756 11.387
39 1H2* A 4 H2' A 4 3.693 5.392 9.679
40 2HO* A 4 2HO A 4 4.691 7.323 10.203
41 H1* A 4 H1' A 4 6.333 5.608 10.531
42 H8 A 4 H8 A 4 5.252 1.943 10.564
43 1H6 A 4 1H6 A 4 6.384 1.986 4.472
44 2H6 A 4 2H6 A 4 6.060 0.983 5.874
45 H2 A 4 H2 A 4 6.333 6.224 5.899
46 1H5* A 5 1H5' A 5 2.005 7.976 10.662
47 2H5* A 5 2H5' A 5 0.318 8.060 10.132
48 H4* A 5 H4' A 5 1.995 9.079 8.538
49 H3* A 5 H3' A 5 0.349 6.730 7.523
50 1H2* A 5 H2' A 5 1.253 7.355 5.348
51 2HO* A 5 2HO A 5 2.490 9.207 5.104
52 H1* A 5 H1' A 5 3.821 7.647 6.332
53 H8 A 5 H8 A 5 2.219 4.604 7.985
54 1H6 A 5 1H6 A 5 3.578 1.546 2.778
55 2H6 A 5 2H6 A 5 3.055 1.403 4.445
56 H2 A 5 H2 A 5 4.106 5.914 1.984
57 1H5* A 6 1H5' A 6 -0.083 10.220 4.864
58 2H5* A 6 2H5' A 6 -1.681 10.242 4.108
59 H4* A 6 H4' A 6 0.308 10.229 2.521
60 H3* A 6 H3' A 6 -1.720 7.971 2.332
61 1H2* A 6 H2' A 6 -0.547 7.425 0.250
62 2HO* A 6 2HO A 6 -0.174 9.732 -0.249
63 H1* A 6 H1' A 6 1.938 7.673 1.415
64 H8 A 6 H8 A 6 -0.212 6.004 4.048
65 1H6 A 6 1H6 A 6 0.968 0.731 1.021
66 2H6 A 6 2H6 A 6 0.358 1.438 2.506
67 H2 A 6 H2 A 6 1.941 4.134 -1.707
68 1H5* U 7 1H5' U 7 -1.415 9.796 -1.721
69 2H5* U 7 2H5' U 7 -3.015 9.722 -2.471
70 H4* U 7 H4' U 7 -1.159 8.526 -3.732
71 H3* U 7 H3' U 7 -3.550 6.909 -2.777
72 1H2* U 7 H2' U 7 -2.642 5.148 -4.180
73 2HO* U 7 2HO U 7 -0.851 5.546 -5.502
74 H1* U 7 H1' U 7 -0.030 5.608 -3.314
75 H3 U 7 H3 U 7 -1.386 1.495 -1.822
76 H5 U 7 H5 U 7 -2.906 4.237 0.989
77 H6 U 7 H6 U 7 -2.320 6.016 -0.503
78 1H5* U 8 1H5' U 8 -3.080 6.301 -7.078
79 2H5* U 8 2H5' U 8 -4.669 6.187 -7.850
80 H4* U 8 H4' U 8 -3.197 4.178 -8.235
81 H3* U 8 H3' U 8 -5.779 3.753 -6.684
82 1H2* U 8 H2' U 8 -5.314 1.402 -6.937
83 2HO* U 8 2HO U 8 -3.675 0.674 -8.278
84 H1* U 8 H1' U 8 -2.577 1.726 -6.433
85 H3 U 8 H3 U 8 -4.184 -0.815 -3.018
86 H5 U 8 H5 U 8 -5.176 3.141 -1.981
87 H6 U 8 H6 U 8 -4.611 3.816 -4.215
88 1H5* U 9 1H5' U 9 -5.671 1.042 -10.228
89 2H5* U 9 2H5' U 9 -7.328 0.772 -10.793
90 H4* U 9 H4' U 9 -6.118 -1.341 -10.180
91 H3* U 9 H3' U 9 -8.539 -0.613 -8.484
92 1H2* U 9 H2' U 9 -8.300 -2.850 -7.575
93 2HO* U 9 2HO U 9 -6.834 -4.302 -8.464
94 H1* U 9 H1' U 9 -5.518 -2.639 -7.412
95 H3 U 9 H3 U 9 -6.912 -2.817 -3.074
96 H5 U 9 H5 U 9 -7.889 1.083 -4.309
97 H6 U 9 H6 U 9 -7.362 0.452 -6.560
98 1H5* G 10 1H5' G 10 -9.252 -4.653 -9.937
99 2H5* G 10 2H5' G 10 -10.983 -4.829 -10.274
100 H4* G 10 H4' G 10 -10.154 -6.489 -8.614
101 H3* G 10 H3' G 10 -12.109 -4.414 -7.537
102 1H2* G 10 H2' G 10 -12.177 -5.826 -5.570
103 2HO* G 10 2HO G 10 -11.206 -7.847 -5.562
104 H1* G 10 H1' G 10 -9.431 -6.273 -5.597
105 H8 G 10 H8 G 10 -10.246 -2.578 -6.244
106 H1 G 10 H1 G 10 -10.462 -4.313 -0.066
107 1H2 G 10 1H2 G 10 -10.733 -7.564 -1.346
108 2H2 G 10 2H2 G 10 -10.808 -6.539 0.071
109 1H5* C 11 1H5' C 11 -13.707 -8.452 -6.685
110 2H5* C 11 2H5' C 11 -15.474 -8.397 -6.785
111 H4* C 11 H4' C 11 -14.631 -9.201 -4.567
112 H3* C 11 H3' C 11 -16.135 -6.553 -4.569
113 1H2* C 11 H2' C 11 -16.126 -6.799 -2.150
114 2HO* C 11 2HO C 11 -15.362 -8.701 -1.203
115 H1* C 11 H1' C 11 -13.464 -7.678 -2.124
116 1H4 C 11 1H4 C 11 -13.401 -1.017 -2.355
117 2H4 C 11 2H4 C 11 -13.236 -1.452 -0.669
118 H5 C 11 H5 C 11 -13.867 -2.678 -4.125
119 H6 C 11 H6 C 11 -14.170 -5.010 -4.576
120 1H5* G 12 1H5' G 12 -18.185 -9.028 -1.652
121 2H5* G 12 2H5' G 12 -19.928 -8.753 -1.830
122 H4* G 12 H4' G 12 -19.152 -8.267 0.470
123 H3* G 12 H3' G 12 -20.081 -5.833 -1.131
124 1H2* G 12 H2' G 12 -19.933 -4.636 0.932
125 2HO* G 12 2HO G 12 -20.908 -6.555 2.025
126 H1* G 12 H1' G 12 -17.597 -5.999 1.778
127 H8 G 12 H8 G 12 -17.358 -4.782 -1.854
128 H1 G 12 H1 G 12 -16.215 -0.214 2.510
129 1H2 G 12 1H2 G 12 -17.580 -2.506 4.781
130 2H2 G 12 2H2 G 12 -16.937 -0.897 4.534
131 H3T G 12 3HO' G 12 -21.970 -6.265 0.160
132 1H5* C 1 1H5' C 1 -15.178 6.609 8.343
133 2H5* C 1 2H5' C 1 -13.980 5.769 9.350
134 H4* C 1 H4' C 1 -16.030 4.399 8.997
135 H3* C 1 H3' C 1 -13.517 3.340 7.636
136 1H2* C 1 H2' C 1 -14.830 1.357 7.221
137 2HO* C 1 2HO C 1 -15.824 1.374 9.343
138 H1* C 1 H1' C 1 -17.144 2.834 6.611
139 1H4 C 1 1H4 C 1 -13.250 2.216 1.195
140 2H4 C 1 2H4 C 1 -14.486 0.984 1.067
141 H5 C 1 H5 C 1 -13.031 3.684 3.185
142 H6 C 1 H6 C 1 -13.964 4.202 5.339
143 H5T C 1 H5' C 1 -13.051 6.745 7.507
144 1H5* G 2 1H5' G 2 -14.801 -0.075 10.243
145 2H5* G 2 2H5' G 2 -13.289 -0.839 10.762
146 H4* G 2 H4' G 2 -14.813 -2.382 9.517
147 H3* G 2 H3' G 2 -12.166 -1.740 8.151
148 1H2* G 2 H2' G 2 -12.770 -3.555 6.663
149 2HO* G 2 2HO G 2 -14.513 -4.882 7.092
150 H1* G 2 H1' G 2 -15.436 -2.743 6.516
151 H8 G 2 H8 G 2 -13.005 0.212 6.206
152 H1 G 2 H1 G 2 -13.653 -3.271 0.848
153 1H2 G 2 1H2 G 2 -15.023 -5.680 2.986
154 2H2 G 2 2H2 G 2 -14.470 -5.305 1.369
155 1H5* C 3 1H5' C 3 -12.548 -6.135 8.576
156 2H5* C 3 2H5' C 3 -10.935 -6.832 8.787
157 H4* C 3 H4' C 3 -12.211 -7.759 6.834
158 H3* C 3 H3' C 3 -9.642 -6.254 6.197
159 1H2* C 3 H2' C 3 -9.934 -7.230 3.963
160 2HO* C 3 2HO C 3 -10.732 -9.272 4.800
161 H1* C 3 H1' C 3 -12.651 -6.626 3.939
162 1H4 C 3 1H4 C 3 -9.367 -1.057 2.321
163 2H4 C 3 2H4 C 3 -9.748 -1.869 0.816
164 H5 C 3 H5 C 3 -9.769 -2.107 4.533
165 H6 C 3 H6 C 3 -10.677 -4.027 5.639
166 1H5* A 4 1H5' A 4 -9.112 -10.349 4.462
167 2H5* A 4 2H5' A 4 -7.395 -10.745 4.647
168 H4* A 4 H4' A 4 -8.204 -10.833 2.282
169 H3* A 4 H3' A 4 -6.112 -8.712 2.914
170 1H2* A 4 H2' A 4 -5.969 -8.489 0.487
171 2HO* A 4 2HO A 4 -6.206 -10.798 0.108
172 H1* A 4 H1' A 4 -8.721 -8.532 0.176
173 H8 A 4 H8 A 4 -7.800 -6.451 3.255
174 1H6 A 4 1H6 A 4 -7.022 -1.765 -0.713
175 2H6 A 4 2H6 A 4 -7.193 -2.221 0.972
176 H2 A 4 H2 A 4 -7.181 -5.561 -3.078
177 1H5* A 5 1H5' A 5 -4.398 -11.362 -0.335
178 2H5* A 5 2H5' A 5 -2.637 -11.309 -0.159
179 H4* A 5 H4' A 5 -3.545 -10.490 -2.386
180 H3* A 5 H3' A 5 -1.944 -8.539 -0.689
181 1H2* A 5 H2' A 5 -1.985 -7.142 -2.681
182 2HO* A 5 2HO A 5 -2.833 -7.908 -4.609
183 H1* A 5 H1' A 5 -4.678 -7.571 -3.119
184 H8 A 5 H8 A 5 -3.977 -7.189 0.635
185 1H6 A 5 1H6 A 5 -3.994 -1.084 -0.414
186 2H6 A 5 2H6 A 5 -3.987 -2.340 0.812
187 H2 A 5 H2 A 5 -3.898 -3.163 -4.369
188 1H5* A 6 1H5' A 6 -0.201 -8.919 -4.746
189 2H5* A 6 2H5' A 6 1.543 -8.619 -4.711
190 H4* A 6 H4' A 6 0.182 -7.115 -6.234
191 H3* A 6 H3' A 6 1.824 -5.839 -4.023
192 1H2* A 6 H2' A 6 1.281 -3.728 -5.101
193 2HO* A 6 2HO A 6 0.102 -5.314 -7.154
194 H1* A 6 H1' A 6 -1.382 -4.367 -5.399
195 H8 A 6 H8 A 6 -0.237 -5.682 -2.001
196 1H6 A 6 1H6 A 6 -1.134 0.094 0.034
197 2H6 A 6 2H6 A 6 -0.848 -1.574 0.493
198 H2 A 6 H2 A 6 -1.069 0.200 -4.440
199 1H5* U 7 1H5' U 7 2.815 -3.800 -7.714
200 2H5* U 7 2H5' U 7 4.542 -3.432 -7.758
201 H4* U 7 H4' U 7 3.040 -1.419 -7.971
202 H3* U 7 H3' U 7 4.932 -1.578 -5.598
203 1H2* U 7 H2' U 7 4.310 0.695 -5.134
204 2HO* U 7 2HO U 7 3.116 0.655 -7.719
205 H1* U 7 H1' U 7 1.609 0.293 -5.787
206 H3 U 7 H3 U 7 1.881 1.443 -1.347
207 H5 U 7 H5 U 7 2.845 -2.653 -1.472
208 H6 U 7 H6 U 7 2.931 -2.515 -3.862
209 1H5* U 8 1H5' U 8 8.202 2.326 -6.040
210 2H5* U 8 2H5' U 8 7.400 1.450 -4.717
211 H4* U 8 H4' U 8 6.345 3.987 -6.052
212 H3* U 8 H3' U 8 7.751 3.421 -3.422
213 1H2* U 8 H2' U 8 6.518 5.310 -2.508
214 2HO* U 8 2HO U 8 6.600 6.514 -4.539
215 H1* U 8 H1' U 8 4.120 4.398 -3.485
216 H3 U 8 H3 U 8 4.409 3.427 1.025
217 H5 U 8 H5 U 8 5.521 -0.053 -1.061
218 H6 U 8 H6 U 8 5.666 1.237 -3.062
219 1H5* U 9 1H5' U 9 7.960 7.667 -3.610
220 2H5* U 9 2H5' U 9 9.611 8.174 -3.205
221 H4* U 9 H4' U 9 7.935 9.174 -1.681
222 H3* U 9 H3' U 9 9.778 7.110 -0.403
223 1H2* U 9 H2' U 9 8.864 7.937 1.691
224 2HO* U 9 2HO U 9 7.436 9.681 1.701
225 H1* U 9 H1' U 9 6.265 7.883 0.726
226 H3 U 9 H3 U 9 6.793 4.557 3.854
227 H5 U 9 H5 U 9 8.090 2.883 0.219
228 H6 U 9 H6 U 9 8.014 5.064 -0.760
229 1H5* G 10 1H5' G 10 10.117 10.755 1.896
230 2H5* G 10 2H5' G 10 11.789 10.974 2.442
231 H4* G 10 H4' G 10 10.126 10.939 4.307
232 H3* G 10 H3' G 10 12.125 8.641 4.251
233 1H2* G 10 H2' G 10 11.279 8.181 6.503
234 2HO* G 10 2HO G 10 11.061 10.500 6.994
235 H1* G 10 H1' G 10 8.645 8.498 5.717
236 H8 G 10 H8 G 10 10.430 6.639 2.910
237 H1 G 10 H1 G 10 9.052 2.971 7.995
238 1H2 G 10 1H2 G 10 8.833 6.026 9.702
239 2H2 G 10 2H2 G 10 8.834 4.281 9.825
240 1H5* C 11 1H5' C 11 12.555 10.496 8.255
241 2H5* C 11 2H5' C 11 14.277 10.443 8.665
242 H4* C 11 H4' C 11 12.821 9.273 10.331
243 H3* C 11 H3' C 11 14.777 7.533 8.773
244 1H2* C 11 H2' C 11 14.196 5.819 10.401
245 2HO* C 11 2HO C 11 12.868 6.322 12.157
246 H1* C 11 H1' C 11 11.474 6.441 10.261
247 1H4 C 11 1H4 C 11 12.958 2.486 5.104
248 2H4 C 11 2H4 C 11 12.464 1.430 6.409
249 H5 C 11 H5 C 11 13.275 4.923 5.414
250 H6 C 11 H6 C 11 13.106 6.724 6.982
251 1H5* G 12 1H5' G 12 15.576 6.843 13.022
252 2H5* G 12 2H5' G 12 17.332 6.726 13.243
253 H4* G 12 H4' G 12 16.150 4.720 14.094
254 H3* G 12 H3' G 12 17.930 4.258 11.653
255 1H2* G 12 H2' G 12 17.559 1.922 12.043
256 2HO* G 12 2HO G 12 17.767 2.362 14.409
257 H1* G 12 H1' G 12 14.844 2.266 12.714
258 H8 G 12 H8 G 12 15.859 4.305 9.617
259 H1 G 12 H1 G 12 14.608 -1.877 8.402
260 1H2 G 12 1H2 G 12 14.771 -2.251 11.880
261 2H2 G 12 2H2 G 12 14.591 -3.044 10.330
262 H3T G 12 3HO' G 12 19.316 3.509 13.365
Start of MODEL 2
1 1H5* C 1 1H5' C 1 15.143 -9.817 7.418
2 2H5* C 1 2H5' C 1 13.469 -10.164 7.893
3 H4* C 1 H4' C 1 14.727 -9.000 9.700
4 H3* C 1 H3' C 1 12.522 -7.350 8.402
5 1H2* C 1 H2' C 1 12.908 -5.796 10.192
6 2HO* C 1 2HO C 1 14.197 -6.316 11.948
7 H1* C 1 H1' C 1 15.696 -6.093 10.068
8 1H4 C 1 1H4 C 1 13.472 -1.565 5.657
9 2H4 C 1 2H4 C 1 13.977 -0.670 7.072
10 H5 C 1 H5 C 1 13.454 -4.040 5.584
11 H6 C 1 H6 C 1 13.947 -6.036 6.833
12 H5T C 1 H5' C 1 13.647 -9.293 5.781
13 1H5* G 2 1H5' G 2 11.728 -7.500 12.770
14 2H5* G 2 2H5' G 2 9.973 -7.459 13.013
15 H4* G 2 H4' G 2 11.193 -5.613 14.183
16 H3* G 2 H3' G 2 9.288 -4.763 11.963
17 1H2* G 2 H2' G 2 9.648 -2.523 12.843
18 2HO* G 2 2HO G 2 9.651 -3.260 15.088
19 H1* G 2 H1' G 2 12.381 -2.899 13.121
20 H8 G 2 H8 G 2 11.025 -4.396 9.844
21 H1 G 2 H1 G 2 12.115 1.930 9.646
22 1H2 G 2 1H2 G 2 12.089 1.708 13.137
23 2H2 G 2 2H2 G 2 12.131 2.759 11.737
24 1H5* C 3 1H5' C 3 7.898 -2.510 15.569
25 2H5* C 3 2H5' C 3 6.147 -2.319 15.383
26 H4* C 3 H4' C 3 7.433 -0.153 15.500
27 H3* C 3 H3' C 3 5.915 -0.721 12.926
28 1H2* C 3 H2' C 3 6.419 1.605 12.398
29 2HO* C 3 2HO C 3 7.375 2.946 13.916
30 H1* C 3 H1' C 3 9.056 1.371 13.260
31 1H4 C 3 1H4 C 3 8.364 -1.033 7.049
32 2H4 C 3 2H4 C 3 8.853 0.639 6.880
33 H5 C 3 H5 C 3 7.848 -2.053 9.240
34 H6 C 3 H6 C 3 7.795 -1.674 11.600
35 1H5* A 4 1H5' A 4 4.576 3.170 14.415
36 2H5* A 4 2H5' A 4 2.866 3.394 14.006
37 H4* A 4 H4' A 4 4.376 5.182 13.123
38 H3* A 4 H3' A 4 2.954 3.486 11.029
39 1H2* A 4 H2' A 4 3.744 5.228 9.485
40 2HO* A 4 2HO A 4 3.441 6.942 11.118
41 H1* A 4 H1' A 4 6.281 5.184 10.540
42 H8 A 4 H8 A 4 5.010 1.584 10.490
43 1H6 A 4 1H6 A 4 6.591 1.523 4.509
44 2H6 A 4 2H6 A 4 6.157 0.548 5.900
45 H2 A 4 H2 A 4 6.554 5.781 5.880
46 1H5* A 5 1H5' A 5 1.903 7.780 10.296
47 2H5* A 5 2H5' A 5 0.294 7.834 9.565
48 H4* A 5 H4' A 5 2.179 8.882 8.233
49 H3* A 5 H3' A 5 0.566 6.642 6.970
50 1H2* A 5 H2' A 5 1.718 7.275 4.908
51 2HO* A 5 2HO A 5 2.864 9.400 6.409
52 H1* A 5 H1' A 5 4.177 7.341 6.122
53 H8 A 5 H8 A 5 2.338 4.443 7.734
54 1H6 A 5 1H6 A 5 3.745 1.182 2.674
55 2H6 A 5 2H6 A 5 3.166 1.109 4.328
56 H2 A 5 H2 A 5 4.482 5.490 1.765
57 1H5* A 6 1H5' A 6 0.551 10.161 4.377
58 2H5* A 6 2H5' A 6 -0.997 10.328 3.536
59 H4* A 6 H4' A 6 1.051 10.199 2.045
60 H3* A 6 H3' A 6 -1.095 8.066 1.729
61 1H2* A 6 H2' A 6 0.137 7.480 -0.310
62 2HO* A 6 2HO A 6 0.668 9.770 -0.743
63 H1* A 6 H1' A 6 2.571 7.550 0.981
64 H8 A 6 H8 A 6 0.256 6.008 3.532
65 1H6 A 6 1H6 A 6 1.230 0.682 0.533
66 2H6 A 6 2H6 A 6 0.667 1.422 2.019
67 H2 A 6 H2 A 6 2.391 4.035 -2.192
68 1H5* U 7 1H5' U 7 -0.526 9.771 -2.277
69 2H5* U 7 2H5' U 7 -2.118 9.890 -3.043
70 H4* U 7 H4' U 7 -0.477 8.502 -4.338
71 H3* U 7 H3' U 7 -2.925 7.068 -3.228
72 1H2* U 7 H2' U 7 -2.221 5.241 -4.666
73 2HO* U 7 2HO U 7 -0.484 5.508 -6.087
74 H1* U 7 H1' U 7 0.459 5.527 -3.937
75 H3 U 7 H3 U 7 -1.127 1.529 -2.338
76 H5 U 7 H5 U 7 -2.338 4.397 0.497
77 H6 U 7 H6 U 7 -1.682 6.117 -1.035
78 1H5* U 8 1H5' U 8 -2.836 6.294 -7.475
79 2H5* U 8 2H5' U 8 -4.484 6.328 -8.122
80 H4* U 8 H4' U 8 -3.301 4.174 -8.563
81 H3* U 8 H3' U 8 -5.708 4.027 -6.701
82 1H2* U 8 H2' U 8 -5.494 1.625 -6.997
83 2HO* U 8 2HO U 8 -4.971 1.722 -9.248
84 H1* U 8 H1' U 8 -2.707 1.717 -6.763
85 H3 U 8 H3 U 8 -4.356 -0.622 -3.201
86 H5 U 8 H5 U 8 -4.753 3.425 -2.119
87 H6 U 8 H6 U 8 -4.249 4.028 -4.387
88 1H5* U 9 1H5' U 9 -6.472 1.398 -10.402
89 2H5* U 9 2H5' U 9 -8.229 1.296 -10.589
90 H4* U 9 H4' U 9 -7.019 -0.920 -10.312
91 H3* U 9 H3' U 9 -9.125 -0.173 -8.245
92 1H2* U 9 H2' U 9 -8.897 -2.526 -7.561
93 2HO* U 9 2HO U 9 -8.609 -3.283 -9.772
94 H1* U 9 H1' U 9 -6.128 -2.390 -7.655
95 H3 U 9 H3 U 9 -7.278 -2.718 -3.239
96 H5 U 9 H5 U 9 -7.835 1.343 -4.187
97 H6 U 9 H6 U 9 -7.568 0.790 -6.502
98 1H5* G 10 1H5' G 10 -10.373 -4.064 -10.019
99 2H5* G 10 2H5' G 10 -12.142 -4.098 -10.053
100 H4* G 10 H4' G 10 -11.054 -5.979 -8.758
101 H3* G 10 H3' G 10 -12.909 -4.088 -7.258
102 1H2* G 10 H2' G 10 -12.746 -5.739 -5.459
103 2HO* G 10 2HO G 10 -12.762 -7.555 -6.975
104 H1* G 10 H1' G 10 -10.007 -6.013 -5.755
105 H8 G 10 H8 G 10 -10.763 -2.304 -6.116
106 H1 G 10 H1 G 10 -10.866 -4.394 -0.048
107 1H2 G 10 1H2 G 10 -11.307 -7.552 -1.505
108 2H2 G 10 2H2 G 10 -11.283 -6.615 -0.026
109 1H5* C 11 1H5' C 11 -14.572 -8.180 -6.592
110 2H5* C 11 2H5' C 11 -16.334 -8.013 -6.586
111 H4* C 11 H4' C 11 -15.409 -8.970 -4.461
112 H3* C 11 H3' C 11 -16.773 -6.255 -4.265
113 1H2* C 11 H2' C 11 -16.653 -6.617 -1.859
114 2HO* C 11 2HO C 11 -15.900 -8.592 -1.049
115 H1* C 11 H1' C 11 -14.029 -7.564 -2.010
116 1H4 C 11 1H4 C 11 -13.733 -0.910 -2.118
117 2H4 C 11 2H4 C 11 -13.581 -1.388 -0.439
118 H5 C 11 H5 C 11 -14.272 -2.528 -3.915
119 H6 C 11 H6 C 11 -14.676 -4.835 -4.396
120 1H5* G 12 1H5' G 12 -18.772 -8.828 -1.370
121 2H5* G 12 2H5' G 12 -20.514 -8.506 -1.456
122 H4* G 12 H4' G 12 -19.640 -8.191 0.837
123 H3* G 12 H3' G 12 -20.566 -5.636 -0.563
124 1H2* G 12 H2' G 12 -20.299 -4.576 1.567
125 2HO* G 12 2HO G 12 -21.253 -6.546 2.585
126 H1* G 12 H1' G 12 -17.944 -5.995 2.199
127 H8 G 12 H8 G 12 -17.938 -4.661 -1.406
128 H1 G 12 H1 G 12 -16.194 -0.342 3.016
129 1H2 G 12 1H2 G 12 -17.524 -2.642 5.300
130 2H2 G 12 2H2 G 12 -16.797 -1.067 5.066
131 H3T G 12 3HO' G 12 -22.133 -7.323 -0.206
132 1H5* C 1 1H5' C 1 -14.101 6.200 8.938
133 2H5* C 1 2H5' C 1 -12.830 5.275 9.763
134 H4* C 1 H4' C 1 -14.974 4.007 9.637
135 H3* C 1 H3' C 1 -12.711 2.886 7.934
136 1H2* C 1 H2' C 1 -14.155 0.985 7.635
137 2HO* C 1 2HO C 1 -16.035 0.741 8.839
138 H1* C 1 H1' C 1 -16.451 2.579 7.352
139 1H4 C 1 1H4 C 1 -13.208 1.908 1.527
140 2H4 C 1 2H4 C 1 -14.490 0.717 1.519
141 H5 C 1 H5 C 1 -12.720 3.331 3.494
142 H6 C 1 H6 C 1 -13.393 3.854 5.743
143 H5T C 1 H5' C 1 -12.101 6.271 7.835
144 1H5* G 2 1H5' G 2 -14.022 -0.405 10.546
145 2H5* G 2 2H5' G 2 -12.589 -1.358 10.969
146 H4* G 2 H4' G 2 -14.365 -2.716 9.889
147 H3* G 2 H3' G 2 -11.818 -2.396 8.243
148 1H2* G 2 H2' G 2 -12.796 -4.162 6.869
149 2HO* G 2 2HO G 2 -13.666 -5.320 8.734
150 H1* G 2 H1' G 2 -15.312 -2.991 6.915
151 H8 G 2 H8 G 2 -12.566 -0.339 6.477
152 H1 G 2 H1 G 2 -14.037 -3.540 1.113
153 1H2 G 2 1H2 G 2 -15.381 -5.917 3.306
154 2H2 G 2 2H2 G 2 -14.959 -5.523 1.652
155 1H5* C 3 1H5' C 3 -12.387 -6.799 8.579
156 2H5* C 3 2H5' C 3 -10.763 -7.502 8.635
157 H4* C 3 H4' C 3 -12.162 -8.316 6.725
158 H3* C 3 H3' C 3 -9.669 -6.732 5.984
159 1H2* C 3 H2' C 3 -10.129 -7.578 3.724
160 2HO* C 3 2HO C 3 -10.847 -9.675 4.507
161 H1* C 3 H1' C 3 -12.841 -6.993 3.948
162 1H4 C 3 1H4 C 3 -9.453 -1.422 2.462
163 2H4 C 3 2H4 C 3 -9.953 -2.124 0.936
164 H5 C 3 H5 C 3 -9.809 -2.568 4.631
165 H6 C 3 H6 C 3 -10.753 -4.502 5.676
166 1H5* A 4 1H5' A 4 -9.249 -10.690 3.937
167 2H5* A 4 2H5' A 4 -7.521 -11.076 3.968
168 H4* A 4 H4' A 4 -8.506 -11.047 1.680
169 H3* A 4 H3' A 4 -6.386 -8.941 2.266
170 1H2* A 4 H2' A 4 -6.417 -8.557 -0.132
171 2HO* A 4 2HO A 4 -8.122 -10.830 -0.281
172 H1* A 4 H1' A 4 -9.180 -8.598 -0.260
173 H8 A 4 H8 A 4 -8.065 -6.734 2.888
174 1H6 A 4 1H6 A 4 -7.252 -1.827 -0.796
175 2H6 A 4 2H6 A 4 -7.366 -2.389 0.861
176 H2 A 4 H2 A 4 -7.731 -5.438 -3.396
177 1H5* A 5 1H5' A 5 -5.124 -11.266 -1.245
178 2H5* A 5 2H5' A 5 -3.358 -11.380 -1.284
179 H4* A 5 H4' A 5 -4.392 -10.359 -3.338
180 H3* A 5 H3' A 5 -2.529 -8.580 -1.715
181 1H2* A 5 H2' A 5 -2.661 -7.105 -3.672
182 2HO* A 5 2HO A 5 -2.726 -8.917 -5.196
183 H1* A 5 H1' A 5 -5.401 -7.333 -3.818
184 H8 A 5 H8 A 5 -4.449 -7.222 -0.121
185 1H6 A 5 1H6 A 5 -4.184 -1.070 -0.817
186 2H6 A 5 2H6 A 5 -4.227 -2.393 0.334
187 H2 A 5 H2 A 5 -4.265 -2.917 -4.883
188 1H5* A 6 1H5' A 6 -0.944 -8.777 -5.915
189 2H5* A 6 2H5' A 6 0.814 -8.607 -5.836
190 H4* A 6 H4' A 6 -0.416 -6.864 -7.228
191 H3* A 6 H3' A 6 1.268 -5.932 -4.875
192 1H2* A 6 H2' A 6 0.932 -3.704 -5.821
193 2HO* A 6 2HO A 6 -0.168 -3.463 -7.783
194 H1* A 6 H1' A 6 -1.775 -4.129 -6.210
195 H8 A 6 H8 A 6 -0.886 -5.730 -2.880
196 1H6 A 6 1H6 A 6 -1.216 -0.016 -0.514
197 2H6 A 6 2H6 A 6 -1.138 -1.728 -0.150
198 H2 A 6 H2 A 6 -1.012 0.341 -4.970
199 1H5* U 7 1H5' U 7 2.537 -3.698 -8.344
200 2H5* U 7 2H5' U 7 4.299 -3.538 -8.345
201 H4* U 7 H4' U 7 3.101 -1.340 -8.436
202 H3* U 7 H3' U 7 4.787 -1.904 -5.964
203 1H2* U 7 H2' U 7 4.437 0.422 -5.427
204 2HO* U 7 2HO U 7 4.704 1.236 -7.561
205 H1* U 7 H1' U 7 1.745 0.371 -6.218
206 H3 U 7 H3 U 7 2.038 1.230 -1.702
207 H5 U 7 H5 U 7 2.421 -2.951 -2.053
208 H6 U 7 H6 U 7 2.591 -2.690 -4.427
209 1H5* U 8 1H5' U 8 8.555 1.633 -6.045
210 2H5* U 8 2H5' U 8 7.602 0.831 -4.778
211 H4* U 8 H4' U 8 6.883 3.480 -6.115
212 H3* U 8 H3' U 8 8.104 2.758 -3.431
213 1H2* U 8 H2' U 8 7.003 4.747 -2.557
214 2HO* U 8 2HO U 8 7.274 5.933 -4.595
215 H1* U 8 H1' U 8 4.577 4.054 -3.630
216 H3 U 8 H3 U 8 4.720 2.999 0.891
217 H5 U 8 H5 U 8 5.362 -0.555 -1.269
218 H6 U 8 H6 U 8 5.694 0.747 -3.241
219 1H5* U 9 1H5' U 9 8.612 7.006 -3.600
220 2H5* U 9 2H5' U 9 10.246 7.424 -3.054
221 H4* U 9 H4' U 9 8.426 8.494 -1.701
222 H3* U 9 H3' U 9 10.223 6.499 -0.269
223 1H2* U 9 H2' U 9 9.167 7.347 1.756
224 2HO* U 9 2HO U 9 7.712 9.056 1.655
225 H1* U 9 H1' U 9 6.629 7.205 0.655
226 H3 U 9 H3 U 9 7.119 3.959 3.875
227 H5 U 9 H5 U 9 8.360 2.200 0.258
228 H6 U 9 H6 U 9 8.363 4.369 -0.743
229 1H5* G 10 1H5' G 10 10.228 10.328 1.860
230 2H5* G 10 2H5' G 10 11.829 10.664 2.538
231 H4* G 10 H4' G 10 9.944 10.669 4.220
232 H3* G 10 H3' G 10 12.169 8.628 4.570
233 1H2* G 10 H2' G 10 11.147 8.212 6.755
234 2HO* G 10 2HO G 10 10.638 10.496 7.085
235 H1* G 10 H1' G 10 8.587 8.173 5.718
236 H8 G 10 H8 G 10 10.767 6.353 3.191
237 H1 G 10 H1 G 10 9.056 2.819 8.267
238 1H2 G 10 1H2 G 10 8.683 5.917 9.866
239 2H2 G 10 2H2 G 10 8.707 4.175 10.042
240 1H5* C 11 1H5' C 11 11.992 10.853 8.455
241 2H5* C 11 2H5' C 11 13.672 11.028 8.990
242 H4* C 11 H4' C 11 12.240 9.812 10.641
243 H3* C 11 H3' C 11 14.488 8.222 9.340
244 1H2* C 11 H2' C 11 13.986 6.537 11.016
245 2HO* C 11 2HO C 11 12.530 6.966 12.672
246 H1* C 11 H1' C 11 11.229 6.832 10.687
247 1H4 C 11 1H4 C 11 13.281 2.890 5.736
248 2H4 C 11 2H4 C 11 12.756 1.830 7.027
249 H5 C 11 H5 C 11 13.496 5.336 6.030
250 H6 C 11 H6 C 11 13.129 7.149 7.540
251 1H5* G 12 1H5' G 12 15.078 7.900 13.676
252 2H5* G 12 2H5' G 12 16.822 7.980 13.990
253 H4* G 12 H4' G 12 15.826 5.910 14.905
254 H3* G 12 H3' G 12 17.732 5.504 12.551
255 1H2* G 12 H2' G 12 17.581 3.166 13.056
256 2HO* G 12 2HO G 12 17.658 3.755 15.401
257 H1* G 12 H1' G 12 14.823 3.266 13.626
258 H8 G 12 H8 G 12 15.893 5.223 10.470
259 H1 G 12 H1 G 12 14.878 -1.040 9.487
260 1H2 G 12 1H2 G 12 14.920 -1.258 12.983
261 2H2 G 12 2H2 G 12 14.822 -2.120 11.462
262 H3T G 12 3HO' G 12 19.131 5.013 14.333
Start of MODEL 3
1 1H5* C 1 1H5' C 1 13.917 -10.292 6.131
2 2H5* C 1 2H5' C 1 12.312 -10.541 6.845
3 H4* C 1 H4' C 1 13.930 -9.596 8.477
4 H3* C 1 H3' C 1 11.673 -7.726 7.654
5 1H2* C 1 H2' C 1 12.448 -6.298 9.431
6 2HO* C 1 2HO C 1 13.998 -8.540 10.237
7 H1* C 1 H1' C 1 15.156 -6.792 8.865
8 1H4 C 1 1H4 C 1 12.833 -1.849 4.991
9 2H4 C 1 2H4 C 1 13.664 -1.086 6.329
10 H5 C 1 H5 C 1 12.494 -4.301 4.855
11 H6 C 1 H6 C 1 12.924 -6.395 5.953
12 H5T C 1 H5' C 1 13.129 -8.376 5.202
13 1H5* G 2 1H5' G 2 11.418 -7.892 12.044
14 2H5* G 2 2H5' G 2 9.696 -7.855 12.465
15 H4* G 2 H4' G 2 10.964 -5.986 13.500
16 H3* G 2 H3' G 2 8.967 -5.143 11.357
17 1H2* G 2 H2' G 2 9.397 -2.905 12.162
18 2HO* G 2 2HO G 2 10.571 -2.542 14.030
19 H1* G 2 H1' G 2 12.143 -3.355 12.414
20 H8 G 2 H8 G 2 10.697 -4.720 9.123
21 H1 G 2 H1 G 2 11.833 1.598 9.118
22 1H2 G 2 1H2 G 2 11.875 1.256 12.602
23 2H2 G 2 2H2 G 2 11.897 2.353 11.238
24 1H5* C 3 1H5' C 3 7.990 -2.854 15.007
25 2H5* C 3 2H5' C 3 6.238 -2.597 15.045
26 H4* C 3 H4' C 3 7.566 -0.474 15.074
27 H3* C 3 H3' C 3 5.823 -0.932 12.620
28 1H2* C 3 H2' C 3 6.328 1.398 12.123
29 2HO* C 3 2HO C 3 7.425 2.678 13.600
30 H1* C 3 H1' C 3 9.021 1.093 12.806
31 1H4 C 3 1H4 C 3 8.047 -1.011 6.539
32 2H4 C 3 2H4 C 3 8.560 0.661 6.430
33 H5 C 3 H5 C 3 7.562 -2.116 8.703
34 H6 C 3 H6 C 3 7.570 -1.829 11.079
35 1H5* A 4 1H5' A 4 4.671 2.963 14.324
36 2H5* A 4 2H5' A 4 2.930 3.184 14.080
37 H4* A 4 H4' A 4 4.311 5.014 13.089
38 H3* A 4 H3' A 4 2.780 3.293 11.096
39 1H2* A 4 H2' A 4 3.405 5.016 9.500
40 2HO* A 4 2HO A 4 4.381 6.908 10.161
41 H1* A 4 H1' A 4 6.011 5.151 10.443
42 H8 A 4 H8 A 4 4.851 1.505 10.265
43 1H6 A 4 1H6 A 4 6.384 1.778 4.273
44 2H6 A 4 2H6 A 4 5.977 0.726 5.615
45 H2 A 4 H2 A 4 6.234 5.963 5.853
46 1H5* A 5 1H5' A 5 1.715 7.589 10.592
47 2H5* A 5 2H5' A 5 0.063 7.729 9.974
48 H4* A 5 H4' A 5 1.850 8.828 8.562
49 H3* A 5 H3' A 5 0.210 6.611 7.278
50 1H2* A 5 H2' A 5 1.259 7.396 5.199
51 2HO* A 5 2HO A 5 1.213 9.669 5.917
52 H1* A 5 H1' A 5 3.764 7.462 6.330
53 H8 A 5 H8 A 5 1.913 4.431 7.745
54 1H6 A 5 1H6 A 5 3.635 1.497 2.582
55 2H6 A 5 2H6 A 5 2.982 1.323 4.199
56 H2 A 5 H2 A 5 4.292 5.881 1.957
57 1H5* A 6 1H5' A 6 -0.162 10.286 4.720
58 2H5* A 6 2H5' A 6 -1.758 10.254 3.959
59 H4* A 6 H4' A 6 0.239 10.313 2.374
60 H3* A 6 H3' A 6 -1.723 8.000 2.191
61 1H2* A 6 H2' A 6 -0.543 7.457 0.132
62 2HO* A 6 2HO A 6 1.031 8.835 -0.687
63 H1* A 6 H1' A 6 1.951 7.842 1.265
64 H8 A 6 H8 A 6 -0.178 6.053 3.851
65 1H6 A 6 1H6 A 6 1.141 0.861 0.746
66 2H6 A 6 2H6 A 6 0.482 1.536 2.224
67 H2 A 6 H2 A 6 2.203 4.340 -1.863
68 1H5* U 7 1H5' U 7 -1.341 9.850 -1.759
69 2H5* U 7 2H5' U 7 -2.897 9.813 -2.601
70 H4* U 7 H4' U 7 -1.024 8.669 -3.832
71 H3* U 7 H3' U 7 -3.381 6.945 -2.974
72 1H2* U 7 H2' U 7 -2.375 5.266 -4.443
73 2HO* U 7 2HO U 7 -1.685 6.918 -6.014
74 H1* U 7 H1' U 7 0.170 5.739 -3.445
75 H3 U 7 H3 U 7 -1.132 1.604 -1.982
76 H5 U 7 H5 U 7 -2.865 4.311 0.735
77 H6 U 7 H6 U 7 -2.281 6.095 -0.746
78 1H5* U 8 1H5' U 8 -3.038 6.270 -7.273
79 2H5* U 8 2H5' U 8 -4.674 6.171 -7.941
80 H4* U 8 H4' U 8 -3.276 4.119 -8.337
81 H3* U 8 H3' U 8 -5.770 3.802 -6.623
82 1H2* U 8 H2' U 8 -5.365 1.420 -6.865
83 2HO* U 8 2HO U 8 -4.712 1.531 -9.081
84 H1* U 8 H1' U 8 -2.614 1.703 -6.458
85 H3 U 8 H3 U 8 -4.332 -0.660 -2.941
86 H5 U 8 H5 U 8 -4.957 3.384 -1.962
87 H6 U 8 H6 U 8 -4.367 3.972 -4.210
88 1H5* U 9 1H5' U 9 -6.106 1.077 -10.323
89 2H5* U 9 2H5' U 9 -7.835 0.843 -10.612
90 H4* U 9 H4' U 9 -6.494 -1.269 -10.200
91 H3* U 9 H3' U 9 -8.785 -0.610 -8.313
92 1H2* U 9 H2' U 9 -8.455 -2.866 -7.459
93 2HO* U 9 2HO U 9 -6.637 -3.205 -9.616
94 H1* U 9 H1' U 9 -5.687 -2.609 -7.434
95 H3 U 9 H3 U 9 -6.984 -2.792 -3.052
96 H5 U 9 H5 U 9 -7.892 1.138 -4.250
97 H6 U 9 H6 U 9 -7.438 0.501 -6.514
98 1H5* G 10 1H5' G 10 -9.528 -4.633 -9.796
99 2H5* G 10 2H5' G 10 -11.270 -4.846 -10.043
100 H4* G 10 H4' G 10 -10.284 -6.512 -8.458
101 H3* G 10 H3' G 10 -12.292 -4.552 -7.277
102 1H2* G 10 H2' G 10 -12.209 -5.984 -5.320
103 2HO* G 10 2HO G 10 -11.119 -7.949 -5.379
104 H1* G 10 H1' G 10 -9.454 -6.283 -5.446
105 H8 G 10 H8 G 10 -10.369 -2.623 -6.078
106 H1 G 10 H1 G 10 -10.461 -4.334 0.107
107 1H2 G 10 1H2 G 10 -10.709 -7.597 -1.154
108 2H2 G 10 2H2 G 10 -10.763 -6.567 0.261
109 1H5* C 11 1H5' C 11 -13.712 -8.614 -6.339
110 2H5* C 11 2H5' C 11 -15.483 -8.624 -6.416
111 H4* C 11 H4' C 11 -14.601 -9.327 -4.185
112 H3* C 11 H3' C 11 -16.161 -6.714 -4.250
113 1H2* C 11 H2' C 11 -16.103 -6.863 -1.824
114 2HO* C 11 2HO C 11 -15.264 -8.712 -0.822
115 H1* C 11 H1' C 11 -13.423 -7.659 -1.807
116 1H4 C 11 1H4 C 11 -13.393 -1.035 -2.420
117 2H4 C 11 2H4 C 11 -13.209 -1.386 -0.713
118 H5 C 11 H5 C 11 -13.913 -2.796 -4.087
119 H6 C 11 H6 C 11 -14.222 -5.148 -4.395
120 1H5* G 12 1H5' G 12 -18.108 -9.113 -1.197
121 2H5* G 12 2H5' G 12 -19.860 -8.892 -1.372
122 H4* G 12 H4' G 12 -19.094 -8.283 0.897
123 H3* G 12 H3' G 12 -20.069 -5.940 -0.809
124 1H2* G 12 H2' G 12 -19.936 -4.645 1.197
125 2HO* G 12 2HO G 12 -20.862 -6.534 2.384
126 H1* G 12 H1' G 12 -17.564 -5.900 2.084
127 H8 G 12 H8 G 12 -17.452 -4.910 -1.632
128 H1 G 12 H1 G 12 -16.067 -0.120 2.416
129 1H2 G 12 1H2 G 12 -17.390 -2.244 4.864
130 2H2 G 12 2H2 G 12 -16.729 -0.665 4.498
131 H3T G 12 3HO' G 12 -21.947 -6.347 0.503
132 1H5* C 1 1H5' C 1 -14.318 6.919 7.861
133 2H5* C 1 2H5' C 1 -13.127 6.060 8.856
134 H4* C 1 H4' C 1 -15.284 4.823 8.704
135 H3* C 1 H3' C 1 -12.932 3.497 7.293
136 1H2* C 1 H2' C 1 -14.406 1.599 7.074
137 2HO* C 1 2HO C 1 -15.282 1.821 9.235
138 H1* C 1 H1' C 1 -16.632 3.190 6.464
139 1H4 C 1 1H4 C 1 -13.036 2.005 0.942
140 2H4 C 1 2H4 C 1 -14.340 0.839 0.944
141 H5 C 1 H5 C 1 -12.635 3.563 2.828
142 H6 C 1 H6 C 1 -13.437 4.267 4.982
143 H5T C 1 H5' C 1 -12.247 6.852 6.899
144 1H5* G 2 1H5' G 2 -14.306 0.374 10.200
145 2H5* G 2 2H5' G 2 -12.831 -0.473 10.696
146 H4* G 2 H4' G 2 -14.558 -1.953 9.645
147 H3* G 2 H3' G 2 -11.925 -1.681 8.135
148 1H2* G 2 H2' G 2 -12.778 -3.559 6.826
149 2HO* G 2 2HO G 2 -13.735 -4.602 8.726
150 H1* G 2 H1' G 2 -15.328 -2.458 6.659
151 H8 G 2 H8 G 2 -12.676 0.260 6.147
152 H1 G 2 H1 G 2 -13.704 -3.423 0.992
153 1H2 G 2 1H2 G 2 -15.069 -5.679 3.299
154 2H2 G 2 2H2 G 2 -14.565 -5.401 1.645
155 1H5* C 3 1H5' C 3 -12.443 -6.069 8.754
156 2H5* C 3 2H5' C 3 -10.817 -6.730 8.974
157 H4* C 3 H4' C 3 -12.069 -7.712 7.036
158 H3* C 3 H3' C 3 -9.543 -6.146 6.371
159 1H2* C 3 H2' C 3 -9.815 -7.142 4.148
160 2HO* C 3 2HO C 3 -10.545 -9.203 4.996
161 H1* C 3 H1' C 3 -12.553 -6.621 4.130
162 1H4 C 3 1H4 C 3 -9.330 -1.019 2.456
163 2H4 C 3 2H4 C 3 -9.707 -1.850 0.959
164 H5 C 3 H5 C 3 -9.747 -2.040 4.680
165 H6 C 3 H6 C 3 -10.655 -3.951 5.804
166 1H5* A 4 1H5' A 4 -8.901 -10.250 4.661
167 2H5* A 4 2H5' A 4 -7.171 -10.583 4.841
168 H4* A 4 H4' A 4 -7.980 -10.716 2.476
169 H3* A 4 H3' A 4 -5.972 -8.511 3.093
170 1H2* A 4 H2' A 4 -5.845 -8.280 0.680
171 2HO* A 4 2HO A 4 -6.835 -9.747 -0.679
172 H1* A 4 H1' A 4 -8.596 -8.464 0.361
173 H8 A 4 H8 A 4 -7.714 -6.303 3.400
174 1H6 A 4 1H6 A 4 -7.015 -1.669 -0.644
175 2H6 A 4 2H6 A 4 -7.160 -2.103 1.049
176 H2 A 4 H2 A 4 -7.202 -5.497 -2.955
177 1H5* A 5 1H5' A 5 -4.414 -11.130 -0.157
178 2H5* A 5 2H5' A 5 -2.643 -11.131 -0.128
179 H4* A 5 H4' A 5 -3.686 -10.369 -2.299
180 H3* A 5 H3' A 5 -1.942 -8.364 -0.819
181 1H2* A 5 H2' A 5 -2.122 -7.068 -2.895
182 2HO* A 5 2HO A 5 -2.072 -8.997 -4.265
183 H1* A 5 H1' A 5 -4.837 -7.427 -3.049
184 H8 A 5 H8 A 5 -3.845 -6.998 0.634
185 1H6 A 5 1H6 A 5 -3.981 -0.914 -0.503
186 2H6 A 5 2H6 A 5 -3.914 -2.151 0.736
187 H2 A 5 H2 A 5 -4.017 -3.055 -4.430
188 1H5* A 6 1H5' A 6 -0.282 -8.845 -4.994
189 2H5* A 6 2H5' A 6 1.451 -8.500 -4.928
190 H4* A 6 H4' A 6 0.030 -7.021 -6.455
191 H3* A 6 H3' A 6 1.697 -5.720 -4.273
192 1H2* A 6 H2' A 6 1.121 -3.626 -5.428
193 2HO* A 6 2HO A 6 1.164 -4.762 -7.571
194 H1* A 6 H1' A 6 -1.542 -4.286 -5.573
195 H8 A 6 H8 A 6 -0.353 -5.627 -2.218
196 1H6 A 6 1H6 A 6 -1.032 0.154 -0.127
197 2H6 A 6 2H6 A 6 -0.785 -1.525 0.313
198 H2 A 6 H2 A 6 -1.059 0.295 -4.601
199 1H5* U 7 1H5' U 7 2.675 -3.600 -7.934
200 2H5* U 7 2H5' U 7 4.418 -3.304 -7.971
201 H4* U 7 H4' U 7 3.002 -1.228 -8.126
202 H3* U 7 H3' U 7 4.885 -1.538 -5.761
203 1H2* U 7 H2' U 7 4.368 0.743 -5.229
204 2HO* U 7 2HO U 7 3.152 0.837 -7.803
205 H1* U 7 H1' U 7 1.648 0.483 -5.873
206 H3 U 7 H3 U 7 2.074 1.481 -1.407
207 H5 U 7 H5 U 7 2.689 -2.678 -1.675
208 H6 U 7 H6 U 7 2.743 -2.471 -4.061
209 1H5* U 8 1H5' U 8 8.360 2.221 -6.155
210 2H5* U 8 2H5' U 8 7.559 1.342 -4.835
211 H4* U 8 H4' U 8 6.591 3.971 -6.053
212 H3* U 8 H3' U 8 8.003 3.223 -3.474
213 1H2* U 8 H2' U 8 6.866 5.083 -2.437
214 2HO* U 8 2HO U 8 5.540 6.442 -3.681
215 H1* U 8 H1' U 8 4.414 4.386 -3.485
216 H3 U 8 H3 U 8 4.627 3.281 1.002
217 H5 U 8 H5 U 8 5.593 -0.195 -1.166
218 H6 U 8 H6 U 8 5.787 1.135 -3.140
219 1H5* U 9 1H5' U 9 8.266 7.465 -3.588
220 2H5* U 9 2H5' U 9 9.898 7.989 -3.132
221 H4* U 9 H4' U 9 8.145 8.946 -1.648
222 H3* U 9 H3' U 9 10.032 6.945 -0.341
223 1H2* U 9 H2' U 9 9.037 7.696 1.741
224 2HO* U 9 2HO U 9 7.572 9.400 1.763
225 H1* U 9 H1' U 9 6.462 7.586 0.715
226 H3 U 9 H3 U 9 6.906 4.226 3.790
227 H5 U 9 H5 U 9 8.447 2.645 0.208
228 H6 U 9 H6 U 9 8.384 4.843 -0.733
229 1H5* G 10 1H5' G 10 10.144 10.650 1.985
230 2H5* G 10 2H5' G 10 11.785 10.917 2.600
231 H4* G 10 H4' G 10 10.031 10.813 4.397
232 H3* G 10 H3' G 10 12.156 8.636 4.413
233 1H2* G 10 H2' G 10 11.239 8.051 6.583
234 2HO* G 10 2HO G 10 9.688 9.351 7.561
235 H1* G 10 H1' G 10 8.618 8.312 5.737
236 H8 G 10 H8 G 10 10.658 6.534 3.028
237 H1 G 10 H1 G 10 8.799 2.762 7.877
238 1H2 G 10 1H2 G 10 8.471 5.775 9.638
239 2H2 G 10 2H2 G 10 8.458 4.026 9.718
240 1H5* C 11 1H5' C 11 12.121 10.553 8.396
241 2H5* C 11 2H5' C 11 13.781 10.615 9.012
242 H4* C 11 H4' C 11 12.214 9.384 10.527
243 H3* C 11 H3' C 11 14.436 7.745 9.249
244 1H2* C 11 H2' C 11 13.753 5.997 10.797
245 2HO* C 11 2HO C 11 12.195 6.432 12.380
246 H1* C 11 H1' C 11 11.038 6.470 10.348
247 1H4 C 11 1H4 C 11 13.044 2.682 5.272
248 2H4 C 11 2H4 C 11 12.369 1.600 6.471
249 H5 C 11 H5 C 11 13.437 5.086 5.725
250 H6 C 11 H6 C 11 13.132 6.834 7.325
251 1H5* G 12 1H5' G 12 14.796 6.986 13.507
252 2H5* G 12 2H5' G 12 16.523 6.987 13.912
253 H4* G 12 H4' G 12 15.449 4.860 14.555
254 H3* G 12 H3' G 12 17.439 4.647 12.242
255 1H2* G 12 H2' G 12 17.207 2.280 12.481
256 2HO* G 12 2HO G 12 17.272 2.514 14.849
257 H1* G 12 H1' G 12 14.434 2.404 13.012
258 H8 G 12 H8 G 12 15.525 4.596 10.042
259 H1 G 12 H1 G 12 14.607 -1.586 8.564
260 1H2 G 12 1H2 G 12 14.633 -2.078 12.032
261 2H2 G 12 2H2 G 12 14.556 -2.820 10.448
262 H3T G 12 3HO' G 12 17.594 4.169 15.056
Start of MODEL 4
1 1H5* C 1 1H5' C 1 12.885 -10.525 4.973
2 2H5* C 1 2H5' C 1 11.283 -10.675 5.720
3 H4* C 1 H4' C 1 13.012 -9.948 7.348
4 H3* C 1 H3' C 1 10.901 -7.859 6.676
5 1H2* C 1 H2' C 1 11.839 -6.591 8.495
6 2HO* C 1 2HO C 1 13.219 -8.988 9.147
7 H1* C 1 H1' C 1 14.479 -7.266 7.826
8 1H4 C 1 1H4 C 1 12.375 -1.979 4.287
9 2H4 C 1 2H4 C 1 13.287 -1.341 5.636
10 H5 C 1 H5 C 1 11.888 -4.394 4.028
11 H6 C 1 H6 C 1 12.216 -6.566 4.999
12 H5T C 1 H5' C 1 12.238 -8.509 4.155
13 1H5* G 2 1H5' G 2 10.768 -8.260 11.050
14 2H5* G 2 2H5' G 2 9.073 -8.098 11.546
15 H4* G 2 H4' G 2 10.560 -6.440 12.644
16 H3* G 2 H3' G 2 8.547 -5.252 10.686
17 1H2* G 2 H2' G 2 9.224 -3.129 11.674
18 2HO* G 2 2HO G 2 9.358 -4.035 13.851
19 H1* G 2 H1' G 2 11.920 -3.822 11.661
20 H8 G 2 H8 G 2 10.196 -4.877 8.396
21 H1 G 2 H1 G 2 11.826 1.327 8.664
22 1H2 G 2 1H2 G 2 11.957 0.793 12.125
23 2H2 G 2 2H2 G 2 12.016 1.960 10.820
24 1H5* C 3 1H5' C 3 7.760 -3.158 14.581
25 2H5* C 3 2H5' C 3 6.027 -2.802 14.594
26 H4* C 3 H4' C 3 7.506 -0.785 14.767
27 H3* C 3 H3' C 3 5.713 -0.973 12.318
28 1H2* C 3 H2' C 3 6.367 1.337 11.919
29 2HO* C 3 2HO C 3 7.564 1.213 14.492
30 H1* C 3 H1' C 3 9.041 0.830 12.529
31 1H4 C 3 1H4 C 3 7.794 -0.981 6.215
32 2H4 C 3 2H4 C 3 8.405 0.660 6.155
33 H5 C 3 H5 C 3 7.288 -2.131 8.353
34 H6 C 3 H6 C 3 7.383 -1.937 10.735
35 1H5* A 4 1H5' A 4 4.796 2.878 14.224
36 2H5* A 4 2H5' A 4 3.059 3.184 14.049
37 H4* A 4 H4' A 4 4.482 4.999 13.104
38 H3* A 4 H3' A 4 2.827 3.443 11.072
39 1H2* A 4 H2' A 4 3.482 5.236 9.547
40 2HO* A 4 2HO A 4 3.307 6.908 11.191
41 H1* A 4 H1' A 4 6.113 5.193 10.404
42 H8 A 4 H8 A 4 4.805 1.605 10.148
43 1H6 A 4 1H6 A 4 6.307 1.983 4.153
44 2H6 A 4 2H6 A 4 5.873 0.910 5.469
45 H2 A 4 H2 A 4 6.276 6.130 5.834
46 1H5* A 5 1H5' A 5 1.670 7.827 10.705
47 2H5* A 5 2H5' A 5 0.002 7.858 10.116
48 H4* A 5 H4' A 5 1.724 9.016 8.645
49 H3* A 5 H3' A 5 0.125 6.718 7.461
50 1H2* A 5 H2' A 5 1.087 7.453 5.345
51 2HO* A 5 2HO A 5 2.311 9.325 5.227
52 H1* A 5 H1' A 5 3.624 7.696 6.403
53 H8 A 5 H8 A 5 1.911 4.601 7.871
54 1H6 A 5 1H6 A 5 3.544 1.713 2.652
55 2H6 A 5 2H6 A 5 2.903 1.523 4.272
56 H2 A 5 H2 A 5 4.188 6.101 2.053
57 1H5* A 6 1H5' A 6 -0.287 10.396 4.999
58 2H5* A 6 2H5' A 6 -1.859 10.426 4.185
59 H4* A 6 H4' A 6 0.175 10.553 2.670
60 H3* A 6 H3' A 6 -1.755 8.235 2.290
61 1H2* A 6 H2' A 6 -0.476 7.826 0.242
62 2HO* A 6 2HO A 6 -0.162 10.167 -0.136
63 H1* A 6 H1' A 6 1.941 8.070 1.521
64 H8 A 6 H8 A 6 -0.435 6.302 3.930
65 1H6 A 6 1H6 A 6 1.078 1.122 0.918
66 2H6 A 6 2H6 A 6 0.320 1.799 2.346
67 H2 A 6 H2 A 6 2.321 4.600 -1.614
68 1H5* U 7 1H5' U 7 -1.351 10.120 -1.677
69 2H5* U 7 2H5' U 7 -2.914 10.010 -2.500
70 H4* U 7 H4' U 7 -0.993 8.879 -3.688
71 H3* U 7 H3' U 7 -3.338 7.145 -2.823
72 1H2* U 7 H2' U 7 -2.282 5.445 -4.235
73 2HO* U 7 2HO U 7 -1.582 7.075 -5.829
74 H1* U 7 H1' U 7 0.236 5.965 -3.200
75 H3 U 7 H3 U 7 -1.161 1.854 -1.709
76 H5 U 7 H5 U 7 -2.884 4.626 0.950
77 H6 U 7 H6 U 7 -2.216 6.383 -0.526
78 1H5* U 8 1H5' U 8 -2.887 6.354 -7.095
79 2H5* U 8 2H5' U 8 -4.504 6.206 -7.801
80 H4* U 8 H4' U 8 -3.050 4.164 -8.086
81 H3* U 8 H3' U 8 -5.604 3.868 -6.459
82 1H2* U 8 H2' U 8 -5.162 1.497 -6.580
83 2HO* U 8 2HO U 8 -3.534 0.680 -7.883
84 H1* U 8 H1' U 8 -2.423 1.824 -6.099
85 H3 U 8 H3 U 8 -4.297 -0.453 -2.593
86 H5 U 8 H5 U 8 -4.976 3.617 -1.759
87 H6 U 8 H6 U 8 -4.267 4.143 -3.987
88 1H5* U 9 1H5' U 9 -5.503 0.977 -9.880
89 2H5* U 9 2H5' U 9 -7.155 0.635 -10.420
90 H4* U 9 H4' U 9 -5.845 -1.406 -9.728
91 H3* U 9 H3' U 9 -8.325 -0.732 -8.096
92 1H2* U 9 H2' U 9 -7.995 -2.940 -7.119
93 2HO* U 9 2HO U 9 -6.415 -4.321 -7.923
94 H1* U 9 H1' U 9 -5.255 -2.564 -6.850
95 H3 U 9 H3 U 9 -6.904 -2.609 -2.598
96 H5 U 9 H5 U 9 -7.844 1.230 -4.043
97 H6 U 9 H6 U 9 -7.200 0.509 -6.235
98 1H5* G 10 1H5' G 10 -8.727 -4.867 -9.496
99 2H5* G 10 2H5' G 10 -10.433 -5.201 -9.839
100 H4* G 10 H4' G 10 -9.426 -6.747 -8.140
101 H3* G 10 H3' G 10 -11.663 -4.922 -7.175
102 1H2* G 10 H2' G 10 -11.606 -6.275 -5.160
103 2HO* G 10 2HO G 10 -10.352 -8.139 -5.062
104 H1* G 10 H1' G 10 -8.843 -6.328 -5.061
105 H8 G 10 H8 G 10 -10.063 -2.807 -5.973
106 H1 G 10 H1 G 10 -10.325 -4.179 0.291
107 1H2 G 10 1H2 G 10 -10.286 -7.514 -0.789
108 2H2 G 10 2H2 G 10 -10.499 -6.414 0.557
109 1H5* C 11 1H5' C 11 -12.776 -9.073 -6.185
110 2H5* C 11 2H5' C 11 -14.530 -9.252 -6.354
111 H4* C 11 H4' C 11 -13.693 -9.800 -4.060
112 H3* C 11 H3' C 11 -15.531 -7.383 -4.291
113 1H2* C 11 H2' C 11 -15.587 -7.474 -1.849
114 2HO* C 11 2HO C 11 -15.622 -9.832 -1.822
115 H1* C 11 H1' C 11 -12.843 -7.917 -1.673
116 1H4 C 11 1H4 C 11 -13.392 -1.372 -2.635
117 2H4 C 11 2H4 C 11 -13.272 -1.620 -0.906
118 H5 C 11 H5 C 11 -13.680 -3.250 -4.228
119 H6 C 11 H6 C 11 -13.764 -5.629 -4.426
120 1H5* G 12 1H5' G 12 -17.544 -9.888 -1.276
121 2H5* G 12 2H5' G 12 -19.277 -9.778 -1.636
122 H4* G 12 H4' G 12 -18.749 -9.025 0.664
123 H3* G 12 H3' G 12 -19.752 -6.865 -1.249
124 1H2* G 12 H2' G 12 -19.864 -5.427 0.649
125 2HO* G 12 2HO G 12 -19.681 -7.839 2.134
126 H1* G 12 H1' G 12 -17.517 -6.471 1.842
127 H8 G 12 H8 G 12 -17.129 -5.655 -1.897
128 H1 G 12 H1 G 12 -16.508 -0.577 1.985
129 1H2 G 12 1H2 G 12 -17.848 -2.699 4.428
130 2H2 G 12 2H2 G 12 -17.294 -1.086 4.036
131 H3T G 12 3HO' G 12 -21.012 -8.395 0.803
132 1H5* C 1 1H5' C 1 -16.164 6.931 7.041
133 2H5* C 1 2H5' C 1 -14.944 6.308 8.171
134 H4* C 1 H4' C 1 -16.896 4.785 7.972
135 H3* C 1 H3' C 1 -14.292 3.712 6.814
136 1H2* C 1 H2' C 1 -15.452 1.617 6.601
137 2HO* C 1 2HO C 1 -17.439 2.816 8.242
138 H1* C 1 H1' C 1 -17.842 2.829 5.763
139 1H4 C 1 1H4 C 1 -13.695 1.876 0.586
140 2H4 C 1 2H4 C 1 -14.823 0.539 0.572
141 H5 C 1 H5 C 1 -13.671 3.582 2.384
142 H6 C 1 H6 C 1 -14.728 4.283 4.424
143 H5T C 1 H5' C 1 -14.035 7.092 6.226
144 1H5* G 2 1H5' G 2 -15.565 0.637 9.676
145 2H5* G 2 2H5' G 2 -14.100 0.002 10.447
146 H4* G 2 H4' G 2 -15.424 -1.768 9.311
147 H3* G 2 H3' G 2 -12.723 -1.174 8.031
148 1H2* G 2 H2' G 2 -13.146 -3.188 6.757
149 2HO* G 2 2HO G 2 -14.861 -4.538 7.252
150 H1* G 2 H1' G 2 -15.831 -2.546 6.346
151 H8 G 2 H8 G 2 -13.514 0.475 5.831
152 H1 G 2 H1 G 2 -13.705 -3.603 0.877
153 1H2 G 2 1H2 G 2 -15.031 -5.851 3.211
154 2H2 G 2 2H2 G 2 -14.421 -5.618 1.586
155 1H5* C 3 1H5' C 3 -12.829 -5.497 8.890
156 2H5* C 3 2H5' C 3 -11.188 -6.026 9.294
157 H4* C 3 H4' C 3 -12.190 -7.240 7.351
158 H3* C 3 H3' C 3 -9.744 -5.532 6.737
159 1H2* C 3 H2' C 3 -9.781 -6.714 4.588
160 2HO* C 3 2HO C 3 -10.422 -8.753 5.546
161 H1* C 3 H1' C 3 -12.531 -6.402 4.334
162 1H4 C 3 1H4 C 3 -9.622 -0.687 2.484
163 2H4 C 3 2H4 C 3 -9.827 -1.639 1.027
164 H5 C 3 H5 C 3 -10.107 -1.593 4.739
165 H6 C 3 H6 C 3 -10.935 -3.491 5.936
166 1H5* A 4 1H5' A 4 -8.693 -9.712 5.450
167 2H5* A 4 2H5' A 4 -6.949 -9.886 5.702
168 H4* A 4 H4' A 4 -7.720 -10.285 3.349
169 H3* A 4 H3' A 4 -5.799 -7.972 3.803
170 1H2* A 4 H2' A 4 -5.636 -7.906 1.383
171 2HO* A 4 2HO A 4 -7.146 -10.320 1.424
172 H1* A 4 H1' A 4 -8.362 -8.181 1.020
173 H8 A 4 H8 A 4 -7.665 -5.830 3.962
174 1H6 A 4 1H6 A 4 -6.982 -1.401 -0.302
175 2H6 A 4 2H6 A 4 -7.192 -1.747 1.403
176 H2 A 4 H2 A 4 -6.883 -5.355 -2.396
177 1H5* A 5 1H5' A 5 -4.100 -10.745 0.769
178 2H5* A 5 2H5' A 5 -2.332 -10.695 0.831
179 H4* A 5 H4' A 5 -3.369 -10.098 -1.401
180 H3* A 5 H3' A 5 -1.666 -7.981 -0.036
181 1H2* A 5 H2' A 5 -1.850 -6.812 -2.183
182 2HO* A 5 2HO A 5 -1.760 -8.833 -3.427
183 H1* A 5 H1' A 5 -4.557 -7.226 -2.347
184 H8 A 5 H8 A 5 -3.675 -6.562 1.317
185 1H6 A 5 1H6 A 5 -3.942 -0.560 -0.171
186 2H6 A 5 2H6 A 5 -3.877 -1.725 1.136
187 H2 A 5 H2 A 5 -3.780 -2.922 -3.971
188 1H5* A 6 1H5' A 6 0.020 -8.708 -4.171
189 2H5* A 6 2H5' A 6 1.748 -8.331 -4.126
190 H4* A 6 H4' A 6 0.295 -6.976 -5.736
191 H3* A 6 H3' A 6 1.983 -5.546 -3.664
192 1H2* A 6 H2' A 6 1.370 -3.506 -4.842
193 2HO* A 6 2HO A 6 0.136 -5.220 -6.754
194 H1* A 6 H1' A 6 -1.290 -4.194 -5.007
195 H8 A 6 H8 A 6 -0.081 -5.342 -1.583
196 1H6 A 6 1H6 A 6 -1.015 0.500 0.212
197 2H6 A 6 2H6 A 6 -0.712 -1.145 0.735
198 H2 A 6 H2 A 6 -0.942 0.430 -4.264
199 1H5* U 7 1H5' U 7 2.824 -3.636 -7.441
200 2H5* U 7 2H5' U 7 4.559 -3.311 -7.572
201 H4* U 7 H4' U 7 3.120 -1.249 -7.767
202 H3* U 7 H3' U 7 5.061 -1.443 -5.437
203 1H2* U 7 H2' U 7 4.520 0.843 -4.978
204 2HO* U 7 2HO U 7 3.358 2.092 -6.448
205 H1* U 7 H1' U 7 1.794 0.523 -5.589
206 H3 U 7 H3 U 7 2.110 1.730 -1.179
207 H5 U 7 H5 U 7 2.948 -2.398 -1.244
208 H6 U 7 H6 U 7 3.044 -2.294 -3.635
209 1H5* U 8 1H5' U 8 8.452 2.362 -6.036
210 2H5* U 8 2H5' U 8 7.688 1.513 -4.674
211 H4* U 8 H4' U 8 6.655 4.084 -5.962
212 H3* U 8 H3' U 8 8.123 3.436 -3.387
213 1H2* U 8 H2' U 8 6.960 5.278 -2.366
214 2HO* U 8 2HO U 8 5.616 6.616 -3.600
215 H1* U 8 H1' U 8 4.505 4.545 -3.390
216 H3 U 8 H3 U 8 4.651 3.554 1.109
217 H5 U 8 H5 U 8 5.748 0.045 -0.941
218 H6 U 8 H6 U 8 5.961 1.328 -2.945
219 1H5* U 9 1H5' U 9 8.348 7.704 -3.606
220 2H5* U 9 2H5' U 9 9.977 8.236 -3.145
221 H4* U 9 H4' U 9 8.227 9.194 -1.666
222 H3* U 9 H3' U 9 10.072 7.168 -0.337
223 1H2* U 9 H2' U 9 9.048 7.926 1.734
224 2HO* U 9 2HO U 9 7.595 9.643 1.725
225 H1* U 9 H1' U 9 6.495 7.842 0.658
226 H3 U 9 H3 U 9 6.785 4.443 3.698
227 H5 U 9 H5 U 9 8.621 2.925 0.230
228 H6 U 9 H6 U 9 8.545 5.123 -0.711
229 1H5* G 10 1H5' G 10 10.212 10.765 2.087
230 2H5* G 10 2H5' G 10 11.860 10.998 2.695
231 H4* G 10 H4' G 10 10.143 10.856 4.506
232 H3* G 10 H3' G 10 12.198 8.610 4.422
233 1H2* G 10 H2' G 10 11.289 8.010 6.606
234 2HO* G 10 2HO G 10 11.036 10.270 7.254
235 H1* G 10 H1' G 10 8.666 8.359 5.778
236 H8 G 10 H8 G 10 10.591 6.618 2.974
237 H1 G 10 H1 G 10 8.778 2.730 7.748
238 1H2 G 10 1H2 G 10 8.592 5.685 9.623
239 2H2 G 10 2H2 G 10 8.532 3.935 9.642
240 1H5* C 11 1H5' C 11 12.507 10.308 8.548
241 2H5* C 11 2H5' C 11 14.221 10.213 8.989
242 H4* C 11 H4' C 11 12.713 8.943 10.542
243 H3* C 11 H3' C 11 14.706 7.308 8.922
244 1H2* C 11 H2' C 11 14.066 5.475 10.389
245 2HO* C 11 2HO C 11 12.687 5.856 12.142
246 H1* C 11 H1' C 11 11.352 6.137 10.238
247 1H4 C 11 1H4 C 11 12.893 2.578 4.813
248 2H4 C 11 2H4 C 11 12.274 1.449 6.001
249 H5 C 11 H5 C 11 13.340 4.958 5.357
250 H6 C 11 H6 C 11 13.175 6.626 7.068
251 1H5* G 12 1H5' G 12 15.381 6.265 13.109
252 2H5* G 12 2H5' G 12 17.130 6.128 13.366
253 H4* G 12 H4' G 12 15.936 4.058 14.006
254 H3* G 12 H3' G 12 17.773 3.827 11.576
255 1H2* G 12 H2' G 12 17.385 1.477 11.673
256 2HO* G 12 2HO G 12 16.436 2.033 14.288
257 H1* G 12 H1' G 12 14.669 1.741 12.415
258 H8 G 12 H8 G 12 15.723 4.013 9.493
259 H1 G 12 H1 G 12 14.303 -2.011 7.776
260 1H2 G 12 1H2 G 12 14.452 -2.672 11.211
261 2H2 G 12 2H2 G 12 14.246 -3.331 9.603
262 H3T G 12 3HO' G 12 18.068 3.107 14.321
Start of MODEL 5
1 1H5* C 1 1H5' C 1 12.166 -10.535 4.822
2 2H5* C 1 2H5' C 1 10.564 -10.622 5.579
3 H4* C 1 H4' C 1 12.338 -10.032 7.213
4 H3* C 1 H3' C 1 10.342 -7.814 6.608
5 1H2* C 1 H2' C 1 11.362 -6.638 8.441
6 2HO* C 1 2HO C 1 12.623 -9.118 9.031
7 H1* C 1 H1' C 1 13.956 -7.432 7.736
8 1H4 C 1 1H4 C 1 12.095 -1.995 4.293
9 2H4 C 1 2H4 C 1 13.041 -1.421 5.648
10 H5 C 1 H5 C 1 11.490 -4.378 4.001
11 H6 C 1 H6 C 1 11.717 -6.579 4.937
12 H5T C 1 H5' C 1 10.552 -9.478 3.599
13 1H5* G 2 1H5' G 2 10.203 -8.266 10.961
14 2H5* G 2 2H5' G 2 8.517 -8.047 11.467
15 H4* G 2 H4' G 2 10.068 -6.457 12.578
16 H3* G 2 H3' G 2 8.091 -5.177 10.642
17 1H2* G 2 H2' G 2 8.848 -3.088 11.639
18 2HO* G 2 2HO G 2 8.958 -4.014 13.810
19 H1* G 2 H1' G 2 11.517 -3.877 11.611
20 H8 G 2 H8 G 2 9.792 -4.861 8.335
21 H1 G 2 H1 G 2 11.566 1.300 8.659
22 1H2 G 2 1H2 G 2 11.637 0.747 12.118
23 2H2 G 2 2H2 G 2 11.745 1.917 10.820
24 1H5* C 3 1H5' C 3 7.405 -3.049 14.523
25 2H5* C 3 2H5' C 3 5.679 -2.656 14.555
26 H4* C 3 H4' C 3 7.189 -0.653 14.691
27 H3* C 3 H3' C 3 5.402 -0.850 12.236
28 1H2* C 3 H2' C 3 6.092 1.457 11.847
29 2HO* C 3 2HO C 3 7.313 2.559 13.370
30 H1* C 3 H1' C 3 8.756 0.894 12.467
31 1H4 C 3 1H4 C 3 7.529 -0.870 6.142
32 2H4 C 3 2H4 C 3 8.170 0.760 6.093
33 H5 C 3 H5 C 3 6.983 -2.018 8.269
34 H6 C 3 H6 C 3 7.067 -1.836 10.656
35 1H5* A 4 1H5' A 4 4.574 3.022 14.169
36 2H5* A 4 2H5' A 4 2.850 3.386 13.979
37 H4* A 4 H4' A 4 4.337 5.167 13.073
38 H3* A 4 H3' A 4 2.658 3.686 11.007
39 1H2* A 4 H2' A 4 3.385 5.471 9.508
40 2HO* A 4 2HO A 4 3.247 7.131 11.171
41 H1* A 4 H1' A 4 6.003 5.333 10.378
42 H8 A 4 H8 A 4 4.537 1.801 10.086
43 1H6 A 4 1H6 A 4 6.166 2.139 4.125
44 2H6 A 4 2H6 A 4 5.668 1.078 5.430
45 H2 A 4 H2 A 4 6.273 6.277 5.821
46 1H5* A 5 1H5' A 5 1.643 8.091 10.647
47 2H5* A 5 2H5' A 5 -0.018 8.179 10.040
48 H4* A 5 H4' A 5 1.758 9.278 8.587
49 H3* A 5 H3' A 5 0.101 7.031 7.384
50 1H2* A 5 H2' A 5 1.114 7.728 5.281
51 2HO* A 5 2HO A 5 2.412 9.557 5.182
52 H1* A 5 H1' A 5 3.644 7.896 6.373
53 H8 A 5 H8 A 5 1.819 4.854 7.817
54 1H6 A 5 1H6 A 5 3.445 1.926 2.614
55 2H6 A 5 2H6 A 5 2.775 1.749 4.225
56 H2 A 5 H2 A 5 4.210 6.295 2.031
57 1H5* A 6 1H5' A 6 -0.153 10.688 4.887
58 2H5* A 6 2H5' A 6 -1.717 10.767 4.060
59 H4* A 6 H4' A 6 0.335 10.788 2.555
60 H3* A 6 H3' A 6 -1.696 8.556 2.207
61 1H2* A 6 H2' A 6 -0.441 8.023 0.189
62 2HO* A 6 2HO A 6 1.258 9.359 -0.479
63 H1* A 6 H1' A 6 2.004 8.259 1.455
64 H8 A 6 H8 A 6 -0.380 6.528 3.874
65 1H6 A 6 1H6 A 6 1.028 1.339 0.807
66 2H6 A 6 2H6 A 6 0.287 2.012 2.246
67 H2 A 6 H2 A 6 2.311 4.818 -1.699
68 1H5* U 7 1H5' U 7 -1.023 10.257 -1.713
69 2H5* U 7 2H5' U 7 -2.558 10.351 -2.588
70 H4* U 7 H4' U 7 -0.805 8.997 -3.775
71 H3* U 7 H3' U 7 -3.326 7.560 -2.862
72 1H2* U 7 H2' U 7 -2.532 5.697 -4.168
73 2HO* U 7 2HO U 7 -1.811 6.929 -5.972
74 H1* U 7 H1' U 7 0.135 6.050 -3.376
75 H3 U 7 H3 U 7 -1.289 1.995 -1.768
76 H5 U 7 H5 U 7 -2.848 4.834 0.924
77 H6 U 7 H6 U 7 -2.173 6.566 -0.585
78 1H5* U 8 1H5' U 8 -5.697 5.979 -7.142
79 2H5* U 8 2H5' U 8 -5.510 5.367 -5.484
80 H4* U 8 H4' U 8 -3.705 4.666 -7.846
81 H3* U 8 H3' U 8 -5.925 3.208 -6.377
82 1H2* U 8 H2' U 8 -4.749 1.150 -6.886
83 2HO* U 8 2HO U 8 -4.031 1.906 -8.994
84 H1* U 8 H1' U 8 -2.324 2.127 -6.041
85 H3 U 8 H3 U 8 -4.009 -0.702 -2.806
86 H5 U 8 H5 U 8 -5.003 3.221 -1.654
87 H6 U 8 H6 U 8 -4.392 3.977 -3.834
88 1H5* U 9 1H5' U 9 -5.446 0.717 -9.813
89 2H5* U 9 2H5' U 9 -7.050 0.273 -10.424
90 H4* U 9 H4' U 9 -5.707 -1.704 -9.751
91 H3* U 9 H3' U 9 -8.152 -1.141 -8.021
92 1H2* U 9 H2' U 9 -7.706 -3.362 -7.095
93 2HO* U 9 2HO U 9 -7.010 -4.238 -9.168
94 H1* U 9 H1' U 9 -5.010 -2.832 -6.808
95 H3 U 9 H3 U 9 -6.873 -2.853 -2.626
96 H5 U 9 H5 U 9 -7.492 1.046 -4.077
97 H6 U 9 H6 U 9 -6.786 0.303 -6.235
98 1H5* G 10 1H5' G 10 -8.660 -5.285 -9.428
99 2H5* G 10 2H5' G 10 -10.388 -5.544 -9.719
100 H4* G 10 H4' G 10 -9.376 -7.116 -8.040
101 H3* G 10 H3' G 10 -11.554 -5.236 -7.047
102 1H2* G 10 H2' G 10 -11.506 -6.618 -5.032
103 2HO* G 10 2HO G 10 -11.182 -8.611 -6.261
104 H1* G 10 H1' G 10 -8.739 -6.665 -4.950
105 H8 G 10 H8 G 10 -9.773 -3.135 -5.941
106 H1 G 10 H1 G 10 -10.310 -4.379 0.334
107 1H2 G 10 1H2 G 10 -10.385 -7.730 -0.689
108 2H2 G 10 2H2 G 10 -10.572 -6.602 0.637
109 1H5* C 11 1H5' C 11 -12.984 -9.341 -6.005
110 2H5* C 11 2H5' C 11 -14.740 -9.322 -6.226
111 H4* C 11 H4' C 11 -14.036 -9.906 -3.894
112 H3* C 11 H3' C 11 -15.581 -7.307 -4.245
113 1H2* C 11 H2' C 11 -15.734 -7.325 -1.816
114 2HO* C 11 2HO C 11 -14.980 -9.104 -0.645
115 H1* C 11 H1' C 11 -13.061 -8.082 -1.526
116 1H4 C 11 1H4 C 11 -13.174 -1.499 -2.555
117 2H4 C 11 2H4 C 11 -13.163 -1.734 -0.819
118 H5 C 11 H5 C 11 -13.429 -3.379 -4.146
119 H6 C 11 H6 C 11 -13.617 -5.757 -4.332
120 1H5* G 12 1H5' G 12 -17.768 -9.635 -1.266
121 2H5* G 12 2H5' G 12 -19.503 -9.430 -1.571
122 H4* G 12 H4' G 12 -18.882 -8.768 0.738
123 H3* G 12 H3' G 12 -19.793 -6.489 -1.080
124 1H2* G 12 H2' G 12 -19.803 -5.138 0.899
125 2HO* G 12 2HO G 12 -19.518 -6.117 2.951
126 H1* G 12 H1' G 12 -17.447 -6.300 1.927
127 H8 G 12 H8 G 12 -17.183 -5.434 -1.811
128 H1 G 12 H1 G 12 -16.163 -0.474 2.138
129 1H2 G 12 1H2 G 12 -17.531 -2.571 4.587
130 2H2 G 12 2H2 G 12 -16.902 -0.983 4.205
131 H3T G 12 3HO' G 12 -21.113 -8.020 0.932
132 1H5* C 1 1H5' C 1 -15.308 6.960 7.273
133 2H5* C 1 2H5' C 1 -14.053 6.293 8.334
134 H4* C 1 H4' C 1 -16.047 4.804 8.196
135 H3* C 1 H3' C 1 -13.525 3.706 6.891
136 1H2* C 1 H2' C 1 -14.754 1.642 6.734
137 2HO* C 1 2HO C 1 -16.718 1.365 7.781
138 H1* C 1 H1' C 1 -17.142 2.936 6.015
139 1H4 C 1 1H4 C 1 -13.250 1.825 0.675
140 2H4 C 1 2H4 C 1 -14.411 0.518 0.719
141 H5 C 1 H5 C 1 -13.105 3.546 2.451
142 H6 C 1 H6 C 1 -14.058 4.294 4.527
143 H5T C 1 H5' C 1 -13.218 7.093 6.360
144 1H5* G 2 1H5' G 2 -14.826 0.691 9.835
145 2H5* G 2 2H5' G 2 -13.372 -0.054 10.525
146 H4* G 2 H4' G 2 -14.922 -1.704 9.486
147 H3* G 2 H3' G 2 -12.228 -1.393 8.095
148 1H2* G 2 H2' G 2 -12.901 -3.402 6.890
149 2HO* G 2 2HO G 2 -13.885 -4.381 8.799
150 H1* G 2 H1' G 2 -15.499 -2.482 6.519
151 H8 G 2 H8 G 2 -12.945 0.325 5.941
152 H1 G 2 H1 G 2 -13.657 -3.688 0.980
153 1H2 G 2 1H2 G 2 -15.000 -5.866 3.373
154 2H2 G 2 2H2 G 2 -14.456 -5.662 1.721
155 1H5* C 3 1H5' C 3 -12.518 -5.761 9.061
156 2H5* C 3 2H5' C 3 -10.858 -6.292 9.382
157 H4* C 3 H4' C 3 -11.974 -7.495 7.478
158 H3* C 3 H3' C 3 -9.530 -5.817 6.790
159 1H2* C 3 H2' C 3 -9.658 -6.953 4.636
160 2HO* C 3 2HO C 3 -11.117 -8.624 4.307
161 H1* C 3 H1' C 3 -12.429 -6.642 4.498
162 1H4 C 3 1H4 C 3 -9.402 -1.024 2.504
163 2H4 C 3 2H4 C 3 -9.705 -1.966 1.059
164 H5 C 3 H5 C 3 -9.837 -1.902 4.779
165 H6 C 3 H6 C 3 -10.707 -3.756 6.016
166 1H5* A 4 1H5' A 4 -8.759 -9.904 5.374
167 2H5* A 4 2H5' A 4 -7.032 -10.260 5.564
168 H4* A 4 H4' A 4 -7.873 -10.526 3.222
169 H3* A 4 H3' A 4 -5.804 -8.333 3.655
170 1H2* A 4 H2' A 4 -5.719 -8.281 1.210
171 2HO* A 4 2HO A 4 -5.989 -10.645 1.058
172 H1* A 4 H1' A 4 -8.470 -8.354 0.976
173 H8 A 4 H8 A 4 -7.575 -6.075 3.911
174 1H6 A 4 1H6 A 4 -6.870 -1.650 -0.361
175 2H6 A 4 2H6 A 4 -7.058 -1.991 1.348
176 H2 A 4 H2 A 4 -6.886 -5.603 -2.457
177 1H5* A 5 1H5' A 5 -4.220 -11.110 0.460
178 2H5* A 5 2H5' A 5 -2.456 -11.089 0.590
179 H4* A 5 H4' A 5 -3.402 -10.368 -1.656
180 H3* A 5 H3' A 5 -1.676 -8.410 -0.099
181 1H2* A 5 H2' A 5 -1.711 -7.080 -2.133
182 2HO* A 5 2HO A 5 -1.538 -8.839 -3.616
183 H1* A 5 H1' A 5 -4.428 -7.452 -2.534
184 H8 A 5 H8 A 5 -3.743 -6.936 1.193
185 1H6 A 5 1H6 A 5 -3.840 -0.878 -0.049
186 2H6 A 5 2H6 A 5 -3.817 -2.097 1.210
187 H2 A 5 H2 A 5 -3.663 -3.071 -3.942
188 1H5* A 6 1H5' A 6 2.401 -7.729 -3.432
189 2H5* A 6 2H5' A 6 1.554 -6.671 -2.282
190 H4* A 6 H4' A 6 0.812 -7.044 -5.219
191 H3* A 6 H3' A 6 2.258 -4.884 -3.669
192 1H2* A 6 H2' A 6 1.206 -3.216 -5.069
193 2HO* A 6 2HO A 6 0.233 -5.434 -6.565
194 H1* A 6 H1' A 6 -1.296 -4.264 -4.838
195 H8 A 6 H8 A 6 -0.236 -5.217 -1.461
196 1H6 A 6 1H6 A 6 -1.129 0.668 0.200
197 2H6 A 6 2H6 A 6 -0.876 -0.975 0.758
198 H2 A 6 H2 A 6 -0.798 0.540 -4.263
199 1H5* U 7 1H5' U 7 2.628 -3.273 -7.428
200 2H5* U 7 2H5' U 7 4.327 -2.904 -7.778
201 H4* U 7 H4' U 7 2.890 -0.879 -7.889
202 H3* U 7 H3' U 7 4.954 -0.995 -5.658
203 1H2* U 7 H2' U 7 4.380 1.257 -5.138
204 2HO* U 7 2HO U 7 3.008 1.247 -7.634
205 H1* U 7 H1' U 7 1.637 0.902 -5.593
206 H3 U 7 H3 U 7 2.129 1.943 -1.177
207 H5 U 7 H5 U 7 2.845 -2.199 -1.423
208 H6 U 7 H6 U 7 2.916 -1.995 -3.807
209 1H5* U 8 1H5' U 8 8.346 2.605 -6.159
210 2H5* U 8 2H5' U 8 7.523 1.704 -4.865
211 H4* U 8 H4' U 8 6.640 4.420 -5.952
212 H3* U 8 H3' U 8 8.098 3.521 -3.446
213 1H2* U 8 H2' U 8 7.084 5.392 -2.320
214 2HO* U 8 2HO U 8 5.831 6.885 -3.476
215 H1* U 8 H1' U 8 4.575 4.891 -3.378
216 H3 U 8 H3 U 8 4.639 3.777 1.096
217 H5 U 8 H5 U 8 5.618 0.271 -1.016
218 H6 U 8 H6 U 8 5.866 1.581 -3.001
219 1H5* U 9 1H5' U 9 8.611 7.807 -3.605
220 2H5* U 9 2H5' U 9 10.256 8.235 -3.097
221 H4* U 9 H4' U 9 8.511 9.303 -1.693
222 H3* U 9 H3' U 9 10.232 7.220 -0.289
223 1H2* U 9 H2' U 9 9.196 8.030 1.754
224 2HO* U 9 2HO U 9 8.043 10.056 0.131
225 H1* U 9 H1' U 9 6.665 8.069 0.627
226 H3 U 9 H3 U 9 6.686 4.659 3.672
227 H5 U 9 H5 U 9 8.621 3.065 0.294
228 H6 U 9 H6 U 9 8.662 5.259 -0.657
229 1H5* G 10 1H5' G 10 10.518 10.805 2.128
230 2H5* G 10 2H5' G 10 12.172 10.955 2.748
231 H4* G 10 H4' G 10 10.446 10.891 4.549
232 H3* G 10 H3' G 10 12.369 8.530 4.467
233 1H2* G 10 H2' G 10 11.406 7.979 6.644
234 2HO* G 10 2HO G 10 11.284 10.246 7.297
235 H1* G 10 H1' G 10 8.820 8.479 5.795
236 H8 G 10 H8 G 10 10.669 6.645 3.000
237 H1 G 10 H1 G 10 8.589 2.841 7.735
238 1H2 G 10 1H2 G 10 8.516 5.799 9.614
239 2H2 G 10 2H2 G 10 8.370 4.054 9.628
240 1H5* C 11 1H5' C 11 12.755 10.226 8.597
241 2H5* C 11 2H5' C 11 14.447 10.001 9.070
242 H4* C 11 H4' C 11 12.801 8.864 10.588
243 H3* C 11 H3' C 11 14.726 7.068 9.058
244 1H2* C 11 H2' C 11 13.899 5.312 10.555
245 2HO* C 11 2HO C 11 13.779 6.771 12.401
246 H1* C 11 H1' C 11 11.255 6.128 10.241
247 1H4 C 11 1H4 C 11 12.766 2.525 4.845
248 2H4 C 11 2H4 C 11 12.044 1.423 6.001
249 H5 C 11 H5 C 11 13.335 4.866 5.425
250 H6 C 11 H6 C 11 13.222 6.523 7.143
251 1H5* G 12 1H5' G 12 15.360 5.971 13.307
252 2H5* G 12 2H5' G 12 17.105 5.717 13.490
253 H4* G 12 H4' G 12 15.779 3.711 14.132
254 H3* G 12 H3' G 12 17.543 3.406 11.659
255 1H2* G 12 H2' G 12 17.021 1.071 11.785
256 2HO* G 12 2HO G 12 15.881 0.251 13.599
257 H1* G 12 H1' G 12 14.325 1.527 12.465
258 H8 G 12 H8 G 12 15.511 3.821 9.625
259 H1 G 12 H1 G 12 13.972 -2.123 7.738
260 1H2 G 12 1H2 G 12 14.028 -2.869 11.157
261 2H2 G 12 2H2 G 12 13.842 -3.481 9.529
262 H3T G 12 3HO' G 12 18.885 2.416 13.271
Start of MODEL 6
1 1H5* C 1 1H5' C 1 11.740 -10.649 5.680
2 2H5* C 1 2H5' C 1 10.132 -10.678 6.429
3 H4* C 1 H4' C 1 11.895 -10.012 8.052
4 H3* C 1 H3' C 1 9.956 -7.790 7.287
5 1H2* C 1 H2' C 1 10.986 -6.558 9.088
6 2HO* C 1 2HO C 1 11.085 -8.422 10.510
7 H1* C 1 H1' C 1 13.564 -7.453 8.441
8 1H4 C 1 1H4 C 1 11.948 -2.137 4.702
9 2H4 C 1 2H4 C 1 12.900 -1.533 6.040
10 H5 C 1 H5 C 1 11.244 -4.508 4.530
11 H6 C 1 H6 C 1 11.378 -6.664 5.585
12 H5T C 1 H5' C 1 10.146 -9.642 4.390
13 1H5* G 2 1H5' G 2 9.565 -8.068 11.762
14 2H5* G 2 2H5' G 2 7.869 -7.677 12.092
15 H4* G 2 H4' G 2 9.494 -6.168 13.235
16 H3* G 2 H3' G 2 7.694 -4.874 11.148
17 1H2* G 2 H2' G 2 8.536 -2.781 12.013
18 2HO* G 2 2HO G 2 9.641 -4.353 14.113
19 H1* G 2 H1' G 2 11.154 -3.717 12.209
20 H8 G 2 H8 G 2 9.437 -4.763 8.929
21 H1 G 2 H1 G 2 11.615 1.275 8.967
22 1H2 G 2 1H2 G 2 11.669 0.878 12.447
23 2H2 G 2 2H2 G 2 11.843 1.979 11.096
24 1H5* C 3 1H5' C 3 7.145 -2.539 14.830
25 2H5* C 3 2H5' C 3 5.461 -1.995 14.893
26 H4* C 3 H4' C 3 7.117 -0.119 14.927
27 H3* C 3 H3' C 3 5.318 -0.260 12.475
28 1H2* C 3 H2' C 3 6.199 1.960 11.998
29 2HO* C 3 2HO C 3 7.512 3.016 13.481
30 H1* C 3 H1' C 3 8.807 1.200 12.655
31 1H4 C 3 1H4 C 3 7.410 -0.654 6.385
32 2H4 C 3 2H4 C 3 8.192 0.911 6.283
33 H5 C 3 H5 C 3 6.796 -1.693 8.550
34 H6 C 3 H6 C 3 6.891 -1.437 10.930
35 1H5* A 4 1H5' A 4 4.853 3.728 14.258
36 2H5* A 4 2H5' A 4 3.178 4.264 14.043
37 H4* A 4 H4' A 4 4.881 5.834 13.090
38 H3* A 4 H3' A 4 2.984 4.530 11.096
39 1H2* A 4 H2' A 4 3.898 6.168 9.529
40 2HO* A 4 2HO A 4 4.023 7.839 11.246
41 H1* A 4 H1' A 4 6.500 5.733 10.373
42 H8 A 4 H8 A 4 4.714 2.363 10.189
43 1H6 A 4 1H6 A 4 6.301 2.407 4.206
44 2H6 A 4 2H6 A 4 5.744 1.424 5.547
45 H2 A 4 H2 A 4 6.722 6.576 5.777
46 1H5* A 5 1H5' A 5 2.646 8.981 10.552
47 2H5* A 5 2H5' A 5 0.972 9.313 10.086
48 H4* A 5 H4' A 5 2.718 10.085 8.421
49 H3* A 5 H3' A 5 0.666 8.028 7.527
50 1H2* A 5 H2' A 5 1.520 8.399 5.307
51 2HO* A 5 2HO A 5 2.905 10.090 4.851
52 H1* A 5 H1' A 5 4.191 8.480 6.145
53 H8 A 5 H8 A 5 2.283 5.633 7.846
54 1H6 A 5 1H6 A 5 3.534 2.326 2.761
55 2H6 A 5 2H6 A 5 2.911 2.277 4.400
56 H2 A 5 H2 A 5 4.539 6.590 1.902
57 1H5* A 6 1H5' A 6 -1.854 10.542 3.653
58 2H5* A 6 2H5' A 6 -1.323 8.870 3.950
59 H4* A 6 H4' A 6 0.307 11.006 2.497
60 H3* A 6 H3' A 6 -1.322 8.616 1.585
61 1H2* A 6 H2' A 6 0.277 8.314 -0.214
62 2HO* A 6 2HO A 6 1.997 9.797 -0.443
63 H1* A 6 H1' A 6 2.446 8.474 1.440
64 H8 A 6 H8 A 6 0.206 6.880 3.885
65 1H6 A 6 1H6 A 6 1.089 1.565 0.835
66 2H6 A 6 2H6 A 6 0.490 2.305 2.306
67 H2 A 6 H2 A 6 2.351 4.918 -1.844
68 1H5* U 7 1H5' U 7 -0.331 10.125 -2.080
69 2H5* U 7 2H5' U 7 -1.791 10.397 -3.051
70 H4* U 7 H4' U 7 -0.209 8.852 -4.181
71 H3* U 7 H3' U 7 -2.849 7.660 -3.244
72 1H2* U 7 H2' U 7 -2.234 5.692 -4.457
73 2HO* U 7 2HO U 7 -1.419 6.775 -6.313
74 H1* U 7 H1' U 7 0.458 5.822 -3.692
75 H3 U 7 H3 U 7 -1.371 2.004 -1.931
76 H5 U 7 H5 U 7 -2.327 5.064 0.800
77 H6 U 7 H6 U 7 -1.566 6.670 -0.803
78 1H5* U 8 1H5' U 8 -5.481 6.162 -7.275
79 2H5* U 8 2H5' U 8 -5.247 5.628 -5.594
80 H4* U 8 H4' U 8 -3.674 4.593 -8.002
81 H3* U 8 H3' U 8 -5.974 3.493 -6.355
82 1H2* U 8 H2' U 8 -5.109 1.296 -6.831
83 2HO* U 8 2HO U 8 -3.340 1.033 -8.219
84 H1* U 8 H1' U 8 -2.499 2.012 -6.243
85 H3 U 8 H3 U 8 -4.235 -0.673 -2.902
86 H5 U 8 H5 U 8 -4.780 3.318 -1.678
87 H6 U 8 H6 U 8 -4.214 4.034 -3.886
88 1H5* U 9 1H5' U 9 -5.760 1.001 -9.852
89 2H5* U 9 2H5' U 9 -7.392 0.629 -10.439
90 H4* U 9 H4' U 9 -6.079 -1.412 -9.891
91 H3* U 9 H3' U 9 -8.478 -0.874 -8.089
92 1H2* U 9 H2' U 9 -8.072 -3.148 -7.282
93 2HO* U 9 2HO U 9 -7.450 -3.930 -9.422
94 H1* U 9 H1' U 9 -5.350 -2.711 -7.054
95 H3 U 9 H3 U 9 -6.979 -2.926 -2.794
96 H5 U 9 H5 U 9 -7.708 1.029 -4.024
97 H6 U 9 H6 U 9 -7.137 0.389 -6.256
98 1H5* G 10 1H5' G 10 -9.134 -4.935 -9.660
99 2H5* G 10 2H5' G 10 -10.876 -5.131 -9.916
100 H4* G 10 H4' G 10 -9.874 -6.794 -8.311
101 H3* G 10 H3' G 10 -11.963 -4.875 -7.212
102 1H2* G 10 H2' G 10 -11.909 -6.289 -5.235
103 2HO* G 10 2HO G 10 -10.747 -8.213 -5.235
104 H1* G 10 H1' G 10 -9.148 -6.481 -5.242
105 H8 G 10 H8 G 10 -10.073 -2.866 -6.026
106 H1 G 10 H1 G 10 -10.500 -4.427 0.191
107 1H2 G 10 1H2 G 10 -10.620 -7.719 -1.001
108 2H2 G 10 2H2 G 10 -10.762 -6.660 0.385
109 1H5* C 11 1H5' C 11 -13.237 -9.022 -6.324
110 2H5* C 11 2H5' C 11 -15.000 -9.119 -6.465
111 H4* C 11 H4' C 11 -14.153 -9.832 -4.226
112 H3* C 11 H3' C 11 -15.871 -7.318 -4.279
113 1H2* C 11 H2' C 11 -15.903 -7.566 -1.848
114 2HO* C 11 2HO C 11 -16.043 -9.920 -1.977
115 H1* C 11 H1' C 11 -13.179 -8.143 -1.748
116 1H4 C 11 1H4 C 11 -13.518 -1.529 -2.285
117 2H4 C 11 2H4 C 11 -13.413 -1.889 -0.574
118 H5 C 11 H5 C 11 -13.842 -3.293 -3.992
119 H6 C 11 H6 C 11 -14.008 -5.653 -4.339
120 1H5* G 12 1H5' G 12 -17.952 -9.983 -1.402
121 2H5* G 12 2H5' G 12 -19.684 -9.760 -1.708
122 H4* G 12 H4' G 12 -19.065 -9.241 0.636
123 H3* G 12 H3' G 12 -20.029 -6.887 -1.052
124 1H2* G 12 H2' G 12 -20.036 -5.616 0.966
125 2HO* G 12 2HO G 12 -19.908 -8.157 2.226
126 H1* G 12 H1' G 12 -17.695 -6.831 1.987
127 H8 G 12 H8 G 12 -17.423 -5.734 -1.693
128 H1 G 12 H1 G 12 -16.405 -1.022 2.555
129 1H2 G 12 1H2 G 12 -17.720 -3.292 4.878
130 2H2 G 12 2H2 G 12 -17.101 -1.679 4.598
131 H3T G 12 3HO' G 12 -21.296 -8.538 0.898
132 1H5* C 1 1H5' C 1 -15.660 6.109 8.142
133 2H5* C 1 2H5' C 1 -14.339 5.428 9.112
134 H4* C 1 H4' C 1 -16.270 3.860 8.924
135 H3* C 1 H3' C 1 -13.738 2.978 7.479
136 1H2* C 1 H2' C 1 -14.871 0.868 7.223
137 2HO* C 1 2HO C 1 -16.776 0.420 8.309
138 H1* C 1 H1' C 1 -17.342 2.093 6.667
139 1H4 C 1 1H4 C 1 -13.634 1.511 1.120
140 2H4 C 1 2H4 C 1 -14.737 0.153 1.121
141 H5 C 1 H5 C 1 -13.481 3.109 3.005
142 H6 C 1 H6 C 1 -14.371 3.673 5.165
143 H5T C 1 H5' C 1 -14.496 5.513 6.279
144 1H5* G 2 1H5' G 2 -14.821 -0.283 10.273
145 2H5* G 2 2H5' G 2 -13.315 -1.009 10.859
146 H4* G 2 H4' G 2 -14.823 -2.658 9.752
147 H3* G 2 H3' G 2 -12.205 -2.101 8.299
148 1H2* G 2 H2' G 2 -12.811 -4.012 6.945
149 2HO* G 2 2HO G 2 -14.540 -5.323 7.491
150 H1* G 2 H1' G 2 -15.486 -3.237 6.770
151 H8 G 2 H8 G 2 -13.027 -0.309 6.298
152 H1 G 2 H1 G 2 -13.830 -3.976 1.091
153 1H2 G 2 1H2 G 2 -15.091 -6.329 3.358
154 2H2 G 2 2H2 G 2 -14.586 -6.006 1.713
155 1H5* C 3 1H5' C 3 -12.439 -6.462 8.921
156 2H5* C 3 2H5' C 3 -10.797 -7.078 9.165
157 H4* C 3 H4' C 3 -11.989 -8.129 7.228
158 H3* C 3 H3' C 3 -9.532 -6.468 6.545
159 1H2* C 3 H2' C 3 -9.767 -7.473 4.336
160 2HO* C 3 2HO C 3 -11.292 -9.082 3.970
161 H1* C 3 H1' C 3 -12.532 -7.096 4.326
162 1H4 C 3 1H4 C 3 -9.556 -1.401 2.526
163 2H4 C 3 2H4 C 3 -9.924 -2.253 1.042
164 H5 C 3 H5 C 3 -9.875 -2.411 4.761
165 H6 C 3 H6 C 3 -10.683 -4.337 5.928
166 1H5* A 4 1H5' A 4 -8.897 -10.437 4.809
167 2H5* A 4 2H5' A 4 -7.174 -10.838 4.928
168 H4* A 4 H4' A 4 -8.061 -10.916 2.603
169 H3* A 4 H3' A 4 -5.956 -8.789 3.161
170 1H2* A 4 H2' A 4 -5.906 -8.495 0.755
171 2HO* A 4 2HO A 4 -7.558 -10.815 0.657
172 H1* A 4 H1' A 4 -8.671 -8.595 0.520
173 H8 A 4 H8 A 4 -7.732 -6.508 3.581
174 1H6 A 4 1H6 A 4 -7.048 -1.822 -0.403
175 2H6 A 4 2H6 A 4 -7.220 -2.272 1.284
176 H2 A 4 H2 A 4 -7.136 -5.627 -2.753
177 1H5* A 5 1H5' A 5 -4.620 -11.218 -0.260
178 2H5* A 5 2H5' A 5 -2.858 -11.364 -0.224
179 H4* A 5 H4' A 5 -3.780 -10.363 -2.347
180 H3* A 5 H3' A 5 -1.937 -8.630 -0.656
181 1H2* A 5 H2' A 5 -1.943 -7.126 -2.554
182 2HO* A 5 2HO A 5 -1.833 -8.738 -4.199
183 H1* A 5 H1' A 5 -4.682 -7.407 -2.992
184 H8 A 5 H8 A 5 -3.973 -7.087 0.749
185 1H6 A 5 1H6 A 5 -4.020 -0.970 -0.207
186 2H6 A 5 2H6 A 5 -4.013 -2.244 0.997
187 H2 A 5 H2 A 5 -3.851 -2.978 -4.192
188 1H5* A 6 1H5' A 6 2.127 -7.767 -3.881
189 2H5* A 6 2H5' A 6 1.252 -6.811 -2.662
190 H4* A 6 H4' A 6 0.559 -6.921 -5.634
191 H3* A 6 H3' A 6 1.994 -4.896 -3.892
192 1H2* A 6 H2' A 6 1.037 -3.152 -5.284
193 2HO* A 6 2HO A 6 -0.251 -3.732 -7.077
194 H1* A 6 H1' A 6 -1.495 -4.173 -5.141
195 H8 A 6 H8 A 6 -0.479 -5.204 -1.764
196 1H6 A 6 1H6 A 6 -1.241 0.690 -0.026
197 2H6 A 6 2H6 A 6 -1.039 -0.964 0.518
198 H2 A 6 H2 A 6 -0.940 0.596 -4.490
199 1H5* U 7 1H5' U 7 2.476 -3.110 -7.556
200 2H5* U 7 2H5' U 7 4.191 -2.771 -7.856
201 H4* U 7 H4' U 7 2.809 -0.707 -7.956
202 H3* U 7 H3' U 7 4.800 -0.929 -5.664
203 1H2* U 7 H2' U 7 4.292 1.354 -5.172
204 2HO* U 7 2HO U 7 4.281 2.097 -7.343
205 H1* U 7 H1' U 7 1.549 1.064 -5.674
206 H3 U 7 H3 U 7 2.099 2.083 -1.239
207 H5 U 7 H5 U 7 2.562 -2.093 -1.501
208 H6 U 7 H6 U 7 2.646 -1.889 -3.885
209 1H5* U 8 1H5' U 8 8.316 2.601 -6.132
210 2H5* U 8 2H5' U 8 7.447 1.778 -4.818
211 H4* U 8 H4' U 8 6.648 4.457 -6.050
212 H3* U 8 H3' U 8 8.061 3.658 -3.483
213 1H2* U 8 H2' U 8 7.082 5.635 -2.480
214 2HO* U 8 2HO U 8 7.282 6.915 -4.445
215 H1* U 8 H1' U 8 4.569 5.083 -3.473
216 H3 U 8 H3 U 8 4.675 4.090 1.029
217 H5 U 8 H5 U 8 5.415 0.496 -1.029
218 H6 U 8 H6 U 8 5.742 1.754 -3.033
219 1H5* U 9 1H5' U 9 8.848 7.888 -3.658
220 2H5* U 9 2H5' U 9 10.543 8.153 -3.206
221 H4* U 9 H4' U 9 8.962 9.326 -1.685
222 H3* U 9 H3' U 9 10.515 7.020 -0.435
223 1H2* U 9 H2' U 9 9.653 7.887 1.670
224 2HO* U 9 2HO U 9 8.470 9.801 1.714
225 H1* U 9 H1' U 9 7.095 8.204 0.638
226 H3 U 9 H3 U 9 7.011 4.767 3.670
227 H5 U 9 H5 U 9 8.450 3.031 0.118
228 H6 U 9 H6 U 9 8.642 5.223 -0.819
229 1H5* G 10 1H5' G 10 11.249 10.602 1.939
230 2H5* G 10 2H5' G 10 12.920 10.597 2.532
231 H4* G 10 H4' G 10 11.202 10.764 4.342
232 H3* G 10 H3' G 10 12.941 8.268 4.321
233 1H2* G 10 H2' G 10 11.969 7.800 6.493
234 2HO* G 10 2HO G 10 10.861 10.415 6.323
235 H1* G 10 H1' G 10 9.414 8.497 5.698
236 H8 G 10 H8 G 10 11.081 6.464 2.917
237 H1 G 10 H1 G 10 8.804 2.947 7.780
238 1H2 G 10 1H2 G 10 8.964 5.959 9.570
239 2H2 G 10 2H2 G 10 8.690 4.231 9.638
240 1H5* C 11 1H5' C 11 13.292 10.082 8.327
241 2H5* C 11 2H5' C 11 14.955 9.867 8.898
242 H4* C 11 H4' C 11 13.249 8.878 10.434
243 H3* C 11 H3' C 11 15.143 6.915 9.080
244 1H2* C 11 H2' C 11 14.221 5.291 10.657
245 2HO* C 11 2HO C 11 14.130 6.886 12.403
246 H1* C 11 H1' C 11 11.614 6.194 10.256
247 1H4 C 11 1H4 C 11 12.883 2.208 5.092
248 2H4 C 11 2H4 C 11 12.085 1.227 6.304
249 H5 C 11 H5 C 11 13.642 4.523 5.553
250 H6 C 11 H6 C 11 13.652 6.276 7.181
251 1H5* G 12 1H5' G 12 15.641 6.053 13.391
252 2H5* G 12 2H5' G 12 17.372 5.750 13.622
253 H4* G 12 H4' G 12 15.984 3.824 14.335
254 H3* G 12 H3' G 12 17.755 3.340 11.893
255 1H2* G 12 H2' G 12 17.150 1.034 12.128
256 2HO* G 12 2HO G 12 17.396 1.207 14.487
257 H1* G 12 H1' G 12 14.473 1.605 12.817
258 H8 G 12 H8 G 12 15.761 3.668 9.834
259 H1 G 12 H1 G 12 13.817 -2.257 8.295
260 1H2 G 12 1H2 G 12 13.868 -2.814 11.751
261 2H2 G 12 2H2 G 12 13.625 -3.504 10.162
262 H3T G 12 3HO' G 12 18.011 2.781 14.683
Start of MODEL 7
1 1H5* C 1 1H5' C 1 12.579 -10.425 6.446
2 2H5* C 1 2H5' C 1 11.000 -10.482 7.253
3 H4* C 1 H4' C 1 12.789 -9.644 8.766
4 H3* C 1 H3' C 1 10.709 -7.568 7.962
5 1H2* C 1 H2' C 1 11.736 -6.197 9.669
6 2HO* C 1 2HO C 1 11.969 -7.948 11.186
7 H1* C 1 H1' C 1 14.333 -7.015 8.974
8 1H4 C 1 1H4 C 1 12.446 -1.926 5.060
9 2H4 C 1 2H4 C 1 13.422 -1.240 6.340
10 H5 C 1 H5 C 1 11.783 -4.317 5.027
11 H6 C 1 H6 C 1 12.009 -6.420 6.170
12 H5T C 1 H5' C 1 11.935 -8.465 5.489
13 1H5* G 2 1H5' G 2 10.484 -7.675 12.494
14 2H5* G 2 2H5' G 2 8.780 -7.339 12.853
15 H4* G 2 H4' G 2 10.358 -5.696 13.885
16 H3* G 2 H3' G 2 8.485 -4.587 11.754
17 1H2* G 2 H2' G 2 9.260 -2.431 12.526
18 2HO* G 2 2HO G 2 10.512 -2.235 14.372
19 H1* G 2 H1' G 2 11.906 -3.267 12.727
20 H8 G 2 H8 G 2 10.121 -4.457 9.523
21 H1 G 2 H1 G 2 12.261 1.589 9.289
22 1H2 G 2 1H2 G 2 12.445 1.307 12.776
23 2H2 G 2 2H2 G 2 12.561 2.363 11.384
24 1H5* C 3 1H5' C 3 7.929 -2.172 15.428
25 2H5* C 3 2H5' C 3 6.249 -1.614 15.488
26 H4* C 3 H4' C 3 7.955 0.234 15.485
27 H3* C 3 H3' C 3 6.051 0.121 13.114
28 1H2* C 3 H2' C 3 6.964 2.327 12.583
29 2HO* C 3 2HO C 3 7.070 2.981 14.836
30 H1* C 3 H1' C 3 9.577 1.521 13.104
31 1H4 C 3 1H4 C 3 7.991 -0.566 6.970
32 2H4 C 3 2H4 C 3 8.787 0.981 6.776
33 H5 C 3 H5 C 3 7.384 -1.484 9.184
34 H6 C 3 H6 C 3 7.534 -1.129 11.543
35 1H5* A 4 1H5' A 4 5.538 4.234 14.689
36 2H5* A 4 2H5' A 4 3.827 4.633 14.463
37 H4* A 4 H4' A 4 5.403 6.191 13.283
38 H3* A 4 H3' A 4 3.560 4.537 11.511
39 1H2* A 4 H2' A 4 4.314 6.018 9.745
40 2HO* A 4 2HO A 4 5.597 7.803 10.200
41 H1* A 4 H1' A 4 6.970 5.909 10.590
42 H8 A 4 H8 A 4 5.463 2.410 10.731
43 1H6 A 4 1H6 A 4 6.546 2.150 4.641
44 2H6 A 4 2H6 A 4 6.130 1.232 6.076
45 H2 A 4 H2 A 4 6.946 6.414 5.933
46 1H5* A 5 1H5' A 5 3.081 8.821 10.609
47 2H5* A 5 2H5' A 5 1.412 9.154 10.134
48 H4* A 5 H4' A 5 3.171 9.825 8.443
49 H3* A 5 H3' A 5 1.058 7.793 7.636
50 1H2* A 5 H2' A 5 1.894 8.056 5.393
51 2HO* A 5 2HO A 5 3.327 10.286 6.441
52 H1* A 5 H1' A 5 4.576 8.129 6.197
53 H8 A 5 H8 A 5 2.792 5.321 8.039
54 1H6 A 5 1H6 A 5 3.777 1.906 2.965
55 2H6 A 5 2H6 A 5 3.285 1.884 4.648
56 H2 A 5 H2 A 5 4.639 6.161 1.938
57 1H5* A 6 1H5' A 6 -1.487 10.310 3.759
58 2H5* A 6 2H5' A 6 -1.005 8.623 4.059
59 H4* A 6 H4' A 6 0.662 10.691 2.554
60 H3* A 6 H3' A 6 -1.047 8.340 1.684
61 1H2* A 6 H2' A 6 0.513 8.016 -0.152
62 2HO* A 6 2HO A 6 2.265 9.469 -0.389
63 H1* A 6 H1' A 6 2.711 8.133 1.468
64 H8 A 6 H8 A 6 0.527 6.560 3.959
65 1H6 A 6 1H6 A 6 1.238 1.240 0.875
66 2H6 A 6 2H6 A 6 0.713 1.986 2.371
67 H2 A 6 H2 A 6 2.448 4.581 -1.844
68 1H5* U 7 1H5' U 7 -0.049 9.944 -1.974
69 2H5* U 7 2H5' U 7 -1.506 10.253 -2.936
70 H4* U 7 H4' U 7 0.086 8.748 -4.116
71 H3* U 7 H3' U 7 -2.573 7.548 -3.251
72 1H2* U 7 H2' U 7 -1.969 5.625 -4.538
73 2HO* U 7 2HO U 7 -1.127 6.765 -6.342
74 H1* U 7 H1' U 7 0.717 5.687 -3.741
75 H3 U 7 H3 U 7 -1.247 1.831 -2.176
76 H5 U 7 H5 U 7 -2.033 4.779 0.728
77 H6 U 7 H6 U 7 -1.260 6.439 -0.811
78 1H5* U 8 1H5' U 8 -5.222 6.244 -7.301
79 2H5* U 8 2H5' U 8 -4.967 5.643 -5.646
80 H4* U 8 H4' U 8 -3.441 4.693 -8.114
81 H3* U 8 H3' U 8 -5.739 3.550 -6.493
82 1H2* U 8 H2' U 8 -4.899 1.354 -7.105
83 2HO* U 8 2HO U 8 -4.200 2.038 -9.244
84 H1* U 8 H1' U 8 -2.321 1.988 -6.383
85 H3 U 8 H3 U 8 -4.286 -0.620 -3.108
86 H5 U 8 H5 U 8 -4.615 3.384 -1.862
87 H6 U 8 H6 U 8 -3.983 4.080 -4.055
88 1H5* U 9 1H5' U 9 -5.796 1.108 -10.009
89 2H5* U 9 2H5' U 9 -7.475 0.896 -10.537
90 H4* U 9 H4' U 9 -6.337 -1.259 -10.034
91 H3* U 9 H3' U 9 -8.623 -0.504 -8.168
92 1H2* U 9 H2' U 9 -8.415 -2.810 -7.381
93 2HO* U 9 2HO U 9 -7.906 -3.634 -9.537
94 H1* U 9 H1' U 9 -5.662 -2.629 -7.203
95 H3 U 9 H3 U 9 -7.431 -2.730 -2.965
96 H5 U 9 H5 U 9 -7.487 1.320 -4.101
97 H6 U 9 H6 U 9 -6.959 0.653 -6.335
98 1H5* G 10 1H5' G 10 -9.618 -4.473 -9.898
99 2H5* G 10 2H5' G 10 -11.376 -4.571 -10.078
100 H4* G 10 H4' G 10 -10.334 -6.355 -8.606
101 H3* G 10 H3' G 10 -12.383 -4.477 -7.371
102 1H2* G 10 H2' G 10 -12.311 -6.001 -5.473
103 2HO* G 10 2HO G 10 -11.143 -7.920 -5.594
104 H1* G 10 H1' G 10 -9.554 -6.187 -5.519
105 H8 G 10 H8 G 10 -10.421 -2.534 -6.137
106 H1 G 10 H1 G 10 -11.002 -4.374 -0.011
107 1H2 G 10 1H2 G 10 -11.096 -7.609 -1.355
108 2H2 G 10 2H2 G 10 -11.248 -6.617 0.079
109 1H5* C 11 1H5' C 11 -13.645 -8.653 -6.701
110 2H5* C 11 2H5' C 11 -15.409 -8.762 -6.824
111 H4* C 11 H4' C 11 -14.513 -9.594 -4.638
112 H3* C 11 H3' C 11 -16.281 -7.119 -4.538
113 1H2* C 11 H2' C 11 -16.277 -7.478 -2.127
114 2HO* C 11 2HO C 11 -15.283 -9.324 -1.265
115 H1* C 11 H1' C 11 -13.543 -8.008 -2.082
116 1H4 C 11 1H4 C 11 -14.052 -1.390 -2.240
117 2H4 C 11 2H4 C 11 -13.962 -1.845 -0.552
118 H5 C 11 H5 C 11 -14.304 -3.062 -4.052
119 H6 C 11 H6 C 11 -14.404 -5.402 -4.537
120 1H5* G 12 1H5' G 12 -18.070 -9.974 -1.774
121 2H5* G 12 2H5' G 12 -19.832 -9.903 -1.973
122 H4* G 12 H4' G 12 -19.141 -9.463 0.363
123 H3* G 12 H3' G 12 -20.393 -7.114 -1.130
124 1H2* G 12 H2' G 12 -20.405 -5.956 0.955
125 2HO* G 12 2HO G 12 -19.917 -8.521 2.081
126 H1* G 12 H1' G 12 -17.910 -6.981 1.782
127 H8 G 12 H8 G 12 -17.885 -5.747 -1.858
128 H1 G 12 H1 G 12 -17.074 -1.110 2.509
129 1H2 G 12 1H2 G 12 -18.233 -3.502 4.786
130 2H2 G 12 2H2 G 12 -17.741 -1.841 4.532
131 H3T G 12 3HO' G 12 -21.407 -8.970 0.783
132 1H5* C 1 1H5' C 1 -16.142 5.757 8.353
133 2H5* C 1 2H5' C 1 -14.919 4.962 9.363
134 H4* C 1 H4' C 1 -16.943 3.547 9.083
135 H3* C 1 H3' C 1 -14.446 2.499 7.688
136 1H2* C 1 H2' C 1 -15.737 0.493 7.334
137 2HO* C 1 2HO C 1 -16.689 0.526 9.472
138 H1* C 1 H1' C 1 -18.078 1.907 6.724
139 1H4 C 1 1H4 C 1 -14.261 1.378 1.254
140 2H4 C 1 2H4 C 1 -15.452 0.101 1.151
141 H5 C 1 H5 C 1 -14.043 2.842 3.238
142 H6 C 1 H6 C 1 -14.952 3.341 5.405
143 H5T C 1 H5' C 1 -14.033 5.905 7.479
144 1H5* G 2 1H5' G 2 -15.596 -0.892 10.373
145 2H5* G 2 2H5' G 2 -14.054 -1.617 10.867
146 H4* G 2 H4' G 2 -15.579 -3.202 9.680
147 H3* G 2 H3' G 2 -12.970 -2.547 8.248
148 1H2* G 2 H2' G 2 -13.585 -4.428 6.818
149 2HO* G 2 2HO G 2 -14.470 -5.672 8.640
150 H1* G 2 H1' G 2 -16.228 -3.593 6.639
151 H8 G 2 H8 G 2 -13.851 -0.593 6.391
152 H1 G 2 H1 G 2 -14.320 -4.032 0.992
153 1H2 G 2 1H2 G 2 -15.557 -6.542 3.100
154 2H2 G 2 2H2 G 2 -15.020 -6.116 1.490
155 1H5* C 3 1H5' C 3 -13.036 -6.988 8.608
156 2H5* C 3 2H5' C 3 -11.354 -7.500 8.798
157 H4* C 3 H4' C 3 -12.522 -8.480 6.795
158 H3* C 3 H3' C 3 -10.129 -6.679 6.256
159 1H2* C 3 H2' C 3 -10.293 -7.559 3.989
160 2HO* C 3 2HO C 3 -11.737 -9.203 3.497
161 H1* C 3 H1' C 3 -13.075 -7.293 3.963
162 1H4 C 3 1H4 C 3 -10.158 -1.466 2.476
163 2H4 C 3 2H4 C 3 -10.406 -2.287 0.952
164 H5 C 3 H5 C 3 -10.630 -2.531 4.660
165 H6 C 3 H6 C 3 -11.459 -4.511 5.725
166 1H5* A 4 1H5' A 4 -9.412 -10.565 4.331
167 2H5* A 4 2H5' A 4 -7.684 -10.944 4.406
168 H4* A 4 H4' A 4 -8.639 -10.920 2.077
169 H3* A 4 H3' A 4 -6.493 -8.858 2.712
170 1H2* A 4 H2' A 4 -6.466 -8.483 0.309
171 2HO* A 4 2HO A 4 -7.644 -9.792 -1.074
172 H1* A 4 H1' A 4 -9.237 -8.504 0.133
173 H8 A 4 H8 A 4 -8.283 -6.531 3.245
174 1H6 A 4 1H6 A 4 -7.406 -1.753 -0.594
175 2H6 A 4 2H6 A 4 -7.610 -2.247 1.077
176 H2 A 4 H2 A 4 -7.572 -5.490 -3.052
177 1H5* A 5 1H5' A 5 -5.303 -11.216 -0.806
178 2H5* A 5 2H5' A 5 -3.549 -11.437 -0.815
179 H4* A 5 H4' A 5 -4.467 -10.359 -2.899
180 H3* A 5 H3' A 5 -2.524 -8.746 -1.200
181 1H2* A 5 H2' A 5 -2.484 -7.201 -3.065
182 2HO* A 5 2HO A 5 -2.472 -8.807 -4.729
183 H1* A 5 H1' A 5 -5.234 -7.333 -3.463
184 H8 A 5 H8 A 5 -4.477 -7.166 0.276
185 1H6 A 5 1H6 A 5 -4.265 -1.025 -0.478
186 2H6 A 5 2H6 A 5 -4.336 -2.337 0.684
187 H2 A 5 H2 A 5 -4.141 -2.898 -4.521
188 1H5* A 6 1H5' A 6 1.568 -8.014 -4.368
189 2H5* A 6 2H5' A 6 0.726 -7.043 -3.138
190 H4* A 6 H4' A 6 0.090 -7.050 -6.123
191 H3* A 6 H3' A 6 1.583 -5.147 -4.298
192 1H2* A 6 H2' A 6 0.727 -3.302 -5.617
193 2HO* A 6 2HO A 6 -0.357 -5.323 -7.307
194 H1* A 6 H1' A 6 -1.849 -4.189 -5.535
195 H8 A 6 H8 A 6 -0.958 -5.492 -2.224
196 1H6 A 6 1H6 A 6 -1.287 0.318 -0.117
197 2H6 A 6 2H6 A 6 -1.233 -1.378 0.326
198 H2 A 6 H2 A 6 -0.935 0.489 -4.568
199 1H5* U 7 1H5' U 7 2.208 -3.195 -7.815
200 2H5* U 7 2H5' U 7 3.945 -2.968 -8.092
201 H4* U 7 H4' U 7 2.731 -0.805 -8.093
202 H3* U 7 H3' U 7 4.643 -1.280 -5.769
203 1H2* U 7 H2' U 7 4.292 1.022 -5.206
204 2HO* U 7 2HO U 7 4.378 1.830 -7.359
205 H1* U 7 H1' U 7 1.548 0.935 -5.771
206 H3 U 7 H3 U 7 2.127 1.760 -1.290
207 H5 U 7 H5 U 7 2.311 -2.428 -1.696
208 H6 U 7 H6 U 7 2.408 -2.148 -4.074
209 1H5* U 8 1H5' U 8 8.386 2.092 -6.035
210 2H5* U 8 2H5' U 8 7.448 1.286 -4.757
211 H4* U 8 H4' U 8 6.800 4.023 -5.949
212 H3* U 8 H3' U 8 8.116 3.117 -3.368
213 1H2* U 8 H2' U 8 7.209 5.122 -2.360
214 2HO* U 8 2HO U 8 6.048 6.604 -3.620
215 H1* U 8 H1' U 8 4.692 4.685 -3.398
216 H3 U 8 H3 U 8 4.798 3.652 1.115
217 H5 U 8 H5 U 8 5.321 0.048 -0.994
218 H6 U 8 H6 U 8 5.686 1.308 -2.987
219 1H5* U 9 1H5' U 9 8.835 7.323 -3.642
220 2H5* U 9 2H5' U 9 10.498 7.708 -3.166
221 H4* U 9 H4' U 9 8.793 8.915 -1.807
222 H3* U 9 H3' U 9 10.477 6.865 -0.311
223 1H2* U 9 H2' U 9 9.510 7.897 1.689
224 2HO* U 9 2HO U 9 9.538 10.057 0.762
225 H1* U 9 H1' U 9 6.962 7.850 0.619
226 H3 U 9 H3 U 9 7.138 4.685 3.924
227 H5 U 9 H5 U 9 8.527 2.751 0.458
228 H6 U 9 H6 U 9 8.674 4.881 -0.615
229 1H5* G 10 1H5' G 10 11.071 10.641 1.869
230 2H5* G 10 2H5' G 10 12.754 10.686 2.420
231 H4* G 10 H4' G 10 11.044 10.852 4.261
232 H3* G 10 H3' G 10 12.901 8.439 4.290
233 1H2* G 10 H2' G 10 11.992 8.065 6.533
234 2HO* G 10 2HO G 10 11.927 10.371 7.025
235 H1* G 10 H1' G 10 9.395 8.543 5.718
236 H8 G 10 H8 G 10 10.997 6.523 2.933
237 H1 G 10 H1 G 10 9.342 3.042 8.068
238 1H2 G 10 1H2 G 10 9.429 6.117 9.748
239 2H2 G 10 2H2 G 10 9.271 4.380 9.889
240 1H5* C 11 1H5' C 11 13.422 10.470 8.277
241 2H5* C 11 2H5' C 11 15.134 10.295 8.693
242 H4* C 11 H4' C 11 13.575 9.321 10.393
243 H3* C 11 H3' C 11 15.453 7.408 8.955
244 1H2* C 11 H2' C 11 14.746 5.767 10.593
245 2HO* C 11 2HO C 11 13.466 7.944 11.902
246 H1* C 11 H1' C 11 12.066 6.538 10.426
247 1H4 C 11 1H4 C 11 13.228 2.453 5.299
248 2H4 C 11 2H4 C 11 12.624 1.459 6.609
249 H5 C 11 H5 C 11 13.799 4.846 5.613
250 H6 C 11 H6 C 11 13.796 6.654 7.177
251 1H5* G 12 1H5' G 12 16.200 6.727 13.182
252 2H5* G 12 2H5' G 12 17.952 6.548 13.401
253 H4* G 12 H4' G 12 16.736 4.564 14.223
254 H3* G 12 H3' G 12 18.417 4.083 11.713
255 1H2* G 12 H2' G 12 17.957 1.761 12.057
256 2HO* G 12 2HO G 12 18.286 2.123 14.423
257 H1* G 12 H1' G 12 15.290 2.209 12.876
258 H8 G 12 H8 G 12 16.331 4.197 9.741
259 H1 G 12 H1 G 12 14.486 -1.843 8.565
260 1H2 G 12 1H2 G 12 14.712 -2.232 12.039
261 2H2 G 12 2H2 G 12 14.406 -3.003 10.498
262 H3T G 12 3HO' G 12 19.522 4.775 13.635
Start of MODEL 8
1 1H5* C 1 1H5' C 1 12.579 -10.425 6.446
2 2H5* C 1 2H5' C 1 11.000 -10.482 7.253
3 H4* C 1 H4' C 1 12.789 -9.644 8.766
4 H3* C 1 H3' C 1 10.709 -7.568 7.962
5 1H2* C 1 H2' C 1 11.736 -6.197 9.669
6 2HO* C 1 2HO C 1 11.969 -7.948 11.186
7 H1* C 1 H1' C 1 14.333 -7.015 8.974
8 1H4 C 1 1H4 C 1 12.446 -1.926 5.060
9 2H4 C 1 2H4 C 1 13.422 -1.240 6.340
10 H5 C 1 H5 C 1 11.783 -4.317 5.027
11 H6 C 1 H6 C 1 12.009 -6.420 6.170
12 H5T C 1 H5' C 1 11.935 -8.465 5.489
13 1H5* G 2 1H5' G 2 10.484 -7.675 12.494
14 2H5* G 2 2H5' G 2 8.780 -7.339 12.853
15 H4* G 2 H4' G 2 10.358 -5.696 13.885
16 H3* G 2 H3' G 2 8.485 -4.587 11.754
17 1H2* G 2 H2' G 2 9.260 -2.431 12.526
18 2HO* G 2 2HO G 2 10.512 -2.235 14.372
19 H1* G 2 H1' G 2 11.906 -3.267 12.727
20 H8 G 2 H8 G 2 10.121 -4.457 9.523
21 H1 G 2 H1 G 2 12.261 1.589 9.289
22 1H2 G 2 1H2 G 2 12.445 1.307 12.776
23 2H2 G 2 2H2 G 2 12.561 2.363 11.384
24 1H5* C 3 1H5' C 3 7.929 -2.172 15.428
25 2H5* C 3 2H5' C 3 6.249 -1.614 15.488
26 H4* C 3 H4' C 3 7.955 0.234 15.485
27 H3* C 3 H3' C 3 6.051 0.121 13.114
28 1H2* C 3 H2' C 3 6.964 2.327 12.583
29 2HO* C 3 2HO C 3 7.070 2.981 14.836
30 H1* C 3 H1' C 3 9.577 1.521 13.104
31 1H4 C 3 1H4 C 3 7.991 -0.566 6.970
32 2H4 C 3 2H4 C 3 8.787 0.981 6.776
33 H5 C 3 H5 C 3 7.384 -1.484 9.184
34 H6 C 3 H6 C 3 7.534 -1.129 11.543
35 1H5* A 4 1H5' A 4 5.538 4.234 14.689
36 2H5* A 4 2H5' A 4 3.827 4.633 14.463
37 H4* A 4 H4' A 4 5.403 6.191 13.283
38 H3* A 4 H3' A 4 3.560 4.537 11.511
39 1H2* A 4 H2' A 4 4.314 6.018 9.745
40 2HO* A 4 2HO A 4 5.597 7.803 10.200
41 H1* A 4 H1' A 4 6.970 5.909 10.590
42 H8 A 4 H8 A 4 5.463 2.410 10.731
43 1H6 A 4 1H6 A 4 6.546 2.150 4.641
44 2H6 A 4 2H6 A 4 6.130 1.232 6.076
45 H2 A 4 H2 A 4 6.946 6.414 5.933
46 1H5* A 5 1H5' A 5 3.081 8.821 10.609
47 2H5* A 5 2H5' A 5 1.412 9.154 10.134
48 H4* A 5 H4' A 5 3.171 9.825 8.443
49 H3* A 5 H3' A 5 1.058 7.793 7.636
50 1H2* A 5 H2' A 5 1.894 8.056 5.393
51 2HO* A 5 2HO A 5 3.327 10.286 6.441
52 H1* A 5 H1' A 5 4.576 8.129 6.197
53 H8 A 5 H8 A 5 2.792 5.321 8.039
54 1H6 A 5 1H6 A 5 3.777 1.906 2.965
55 2H6 A 5 2H6 A 5 3.285 1.884 4.648
56 H2 A 5 H2 A 5 4.639 6.161 1.938
57 1H5* A 6 1H5' A 6 -1.487 10.310 3.759
58 2H5* A 6 2H5' A 6 -1.005 8.623 4.059
59 H4* A 6 H4' A 6 0.662 10.691 2.554
60 H3* A 6 H3' A 6 -1.047 8.340 1.684
61 1H2* A 6 H2' A 6 0.513 8.016 -0.152
62 2HO* A 6 2HO A 6 2.265 9.469 -0.389
63 H1* A 6 H1' A 6 2.711 8.133 1.468
64 H8 A 6 H8 A 6 0.527 6.560 3.959
65 1H6 A 6 1H6 A 6 1.238 1.240 0.875
66 2H6 A 6 2H6 A 6 0.713 1.986 2.371
67 H2 A 6 H2 A 6 2.448 4.581 -1.844
68 1H5* U 7 1H5' U 7 -0.049 9.944 -1.974
69 2H5* U 7 2H5' U 7 -1.506 10.253 -2.936
70 H4* U 7 H4' U 7 0.086 8.748 -4.116
71 H3* U 7 H3' U 7 -2.573 7.548 -3.251
72 1H2* U 7 H2' U 7 -1.969 5.625 -4.538
73 2HO* U 7 2HO U 7 -1.127 6.765 -6.342
74 H1* U 7 H1' U 7 0.717 5.687 -3.741
75 H3 U 7 H3 U 7 -1.247 1.831 -2.176
76 H5 U 7 H5 U 7 -2.033 4.779 0.728
77 H6 U 7 H6 U 7 -1.260 6.439 -0.811
78 1H5* U 8 1H5' U 8 -5.222 6.244 -7.301
79 2H5* U 8 2H5' U 8 -4.967 5.643 -5.646
80 H4* U 8 H4' U 8 -3.441 4.693 -8.114
81 H3* U 8 H3' U 8 -5.739 3.550 -6.493
82 1H2* U 8 H2' U 8 -4.899 1.354 -7.105
83 2HO* U 8 2HO U 8 -4.200 2.038 -9.244
84 H1* U 8 H1' U 8 -2.321 1.988 -6.383
85 H3 U 8 H3 U 8 -4.286 -0.620 -3.108
86 H5 U 8 H5 U 8 -4.615 3.384 -1.862
87 H6 U 8 H6 U 8 -3.983 4.080 -4.055
88 1H5* U 9 1H5' U 9 -5.796 1.108 -10.009
89 2H5* U 9 2H5' U 9 -7.475 0.896 -10.537
90 H4* U 9 H4' U 9 -6.337 -1.259 -10.034
91 H3* U 9 H3' U 9 -8.623 -0.504 -8.168
92 1H2* U 9 H2' U 9 -8.415 -2.810 -7.381
93 2HO* U 9 2HO U 9 -7.906 -3.634 -9.537
94 H1* U 9 H1' U 9 -5.662 -2.629 -7.203
95 H3 U 9 H3 U 9 -7.431 -2.730 -2.965
96 H5 U 9 H5 U 9 -7.487 1.320 -4.101
97 H6 U 9 H6 U 9 -6.959 0.653 -6.335
98 1H5* G 10 1H5' G 10 -9.618 -4.473 -9.898
99 2H5* G 10 2H5' G 10 -11.376 -4.571 -10.078
100 H4* G 10 H4' G 10 -10.334 -6.355 -8.606
101 H3* G 10 H3' G 10 -12.383 -4.477 -7.371
102 1H2* G 10 H2' G 10 -12.311 -6.001 -5.473
103 2HO* G 10 2HO G 10 -11.143 -7.920 -5.594
104 H1* G 10 H1' G 10 -9.554 -6.187 -5.519
105 H8 G 10 H8 G 10 -10.421 -2.534 -6.137
106 H1 G 10 H1 G 10 -11.002 -4.374 -0.011
107 1H2 G 10 1H2 G 10 -11.096 -7.609 -1.355
108 2H2 G 10 2H2 G 10 -11.248 -6.617 0.079
109 1H5* C 11 1H5' C 11 -13.645 -8.653 -6.701
110 2H5* C 11 2H5' C 11 -15.409 -8.762 -6.824
111 H4* C 11 H4' C 11 -14.513 -9.594 -4.638
112 H3* C 11 H3' C 11 -16.281 -7.119 -4.538
113 1H2* C 11 H2' C 11 -16.277 -7.478 -2.127
114 2HO* C 11 2HO C 11 -15.283 -9.324 -1.265
115 H1* C 11 H1' C 11 -13.543 -8.008 -2.082
116 1H4 C 11 1H4 C 11 -14.052 -1.390 -2.240
117 2H4 C 11 2H4 C 11 -13.962 -1.845 -0.552
118 H5 C 11 H5 C 11 -14.304 -3.062 -4.052
119 H6 C 11 H6 C 11 -14.404 -5.402 -4.537
120 1H5* G 12 1H5' G 12 -18.070 -9.974 -1.774
121 2H5* G 12 2H5' G 12 -19.832 -9.903 -1.973
122 H4* G 12 H4' G 12 -19.141 -9.463 0.363
123 H3* G 12 H3' G 12 -20.393 -7.114 -1.130
124 1H2* G 12 H2' G 12 -20.405 -5.956 0.955
125 2HO* G 12 2HO G 12 -19.917 -8.521 2.081
126 H1* G 12 H1' G 12 -17.910 -6.981 1.782
127 H8 G 12 H8 G 12 -17.885 -5.747 -1.858
128 H1 G 12 H1 G 12 -17.074 -1.110 2.509
129 1H2 G 12 1H2 G 12 -18.233 -3.502 4.786
130 2H2 G 12 2H2 G 12 -17.741 -1.841 4.532
131 H3T G 12 3HO' G 12 -21.407 -8.970 0.783
132 1H5* C 1 1H5' C 1 -16.142 5.757 8.353
133 2H5* C 1 2H5' C 1 -14.919 4.962 9.363
134 H4* C 1 H4' C 1 -16.943 3.547 9.083
135 H3* C 1 H3' C 1 -14.446 2.499 7.688
136 1H2* C 1 H2' C 1 -15.737 0.493 7.334
137 2HO* C 1 2HO C 1 -16.689 0.526 9.472
138 H1* C 1 H1' C 1 -18.078 1.907 6.724
139 1H4 C 1 1H4 C 1 -14.261 1.378 1.254
140 2H4 C 1 2H4 C 1 -15.452 0.101 1.151
141 H5 C 1 H5 C 1 -14.043 2.842 3.238
142 H6 C 1 H6 C 1 -14.952 3.341 5.405
143 H5T C 1 H5' C 1 -14.033 5.905 7.479
144 1H5* G 2 1H5' G 2 -15.596 -0.892 10.373
145 2H5* G 2 2H5' G 2 -14.054 -1.617 10.867
146 H4* G 2 H4' G 2 -15.579 -3.202 9.680
147 H3* G 2 H3' G 2 -12.970 -2.547 8.248
148 1H2* G 2 H2' G 2 -13.585 -4.428 6.818
149 2HO* G 2 2HO G 2 -14.470 -5.672 8.640
150 H1* G 2 H1' G 2 -16.228 -3.593 6.639
151 H8 G 2 H8 G 2 -13.851 -0.593 6.391
152 H1 G 2 H1 G 2 -14.320 -4.032 0.992
153 1H2 G 2 1H2 G 2 -15.557 -6.542 3.100
154 2H2 G 2 2H2 G 2 -15.020 -6.116 1.490
155 1H5* C 3 1H5' C 3 -13.036 -6.988 8.608
156 2H5* C 3 2H5' C 3 -11.354 -7.500 8.798
157 H4* C 3 H4' C 3 -12.522 -8.480 6.795
158 H3* C 3 H3' C 3 -10.129 -6.679 6.256
159 1H2* C 3 H2' C 3 -10.293 -7.559 3.989
160 2HO* C 3 2HO C 3 -11.737 -9.203 3.497
161 H1* C 3 H1' C 3 -13.075 -7.293 3.963
162 1H4 C 3 1H4 C 3 -10.158 -1.466 2.476
163 2H4 C 3 2H4 C 3 -10.406 -2.287 0.952
164 H5 C 3 H5 C 3 -10.630 -2.531 4.660
165 H6 C 3 H6 C 3 -11.459 -4.511 5.725
166 1H5* A 4 1H5' A 4 -9.412 -10.565 4.331
167 2H5* A 4 2H5' A 4 -7.684 -10.944 4.406
168 H4* A 4 H4' A 4 -8.639 -10.920 2.077
169 H3* A 4 H3' A 4 -6.493 -8.858 2.712
170 1H2* A 4 H2' A 4 -6.466 -8.483 0.309
171 2HO* A 4 2HO A 4 -7.644 -9.792 -1.074
172 H1* A 4 H1' A 4 -9.237 -8.504 0.133
173 H8 A 4 H8 A 4 -8.283 -6.531 3.245
174 1H6 A 4 1H6 A 4 -7.406 -1.753 -0.594
175 2H6 A 4 2H6 A 4 -7.610 -2.247 1.077
176 H2 A 4 H2 A 4 -7.572 -5.490 -3.052
177 1H5* A 5 1H5' A 5 -5.303 -11.216 -0.806
178 2H5* A 5 2H5' A 5 -3.549 -11.437 -0.815
179 H4* A 5 H4' A 5 -4.467 -10.359 -2.899
180 H3* A 5 H3' A 5 -2.524 -8.746 -1.200
181 1H2* A 5 H2' A 5 -2.484 -7.201 -3.065
182 2HO* A 5 2HO A 5 -2.472 -8.807 -4.729
183 H1* A 5 H1' A 5 -5.234 -7.333 -3.463
184 H8 A 5 H8 A 5 -4.477 -7.166 0.276
185 1H6 A 5 1H6 A 5 -4.265 -1.025 -0.478
186 2H6 A 5 2H6 A 5 -4.336 -2.337 0.684
187 H2 A 5 H2 A 5 -4.141 -2.898 -4.521
188 1H5* A 6 1H5' A 6 1.568 -8.014 -4.368
189 2H5* A 6 2H5' A 6 0.726 -7.043 -3.138
190 H4* A 6 H4' A 6 0.090 -7.050 -6.123
191 H3* A 6 H3' A 6 1.583 -5.147 -4.298
192 1H2* A 6 H2' A 6 0.727 -3.302 -5.617
193 2HO* A 6 2HO A 6 -0.357 -5.323 -7.307
194 H1* A 6 H1' A 6 -1.849 -4.189 -5.535
195 H8 A 6 H8 A 6 -0.958 -5.492 -2.224
196 1H6 A 6 1H6 A 6 -1.287 0.318 -0.117
197 2H6 A 6 2H6 A 6 -1.233 -1.378 0.326
198 H2 A 6 H2 A 6 -0.935 0.489 -4.568
199 1H5* U 7 1H5' U 7 2.208 -3.195 -7.815
200 2H5* U 7 2H5' U 7 3.945 -2.968 -8.092
201 H4* U 7 H4' U 7 2.731 -0.805 -8.093
202 H3* U 7 H3' U 7 4.643 -1.280 -5.769
203 1H2* U 7 H2' U 7 4.292 1.022 -5.206
204 2HO* U 7 2HO U 7 4.378 1.830 -7.359
205 H1* U 7 H1' U 7 1.548 0.935 -5.771
206 H3 U 7 H3 U 7 2.127 1.760 -1.290
207 H5 U 7 H5 U 7 2.311 -2.428 -1.696
208 H6 U 7 H6 U 7 2.408 -2.148 -4.074
209 1H5* U 8 1H5' U 8 8.386 2.092 -6.035
210 2H5* U 8 2H5' U 8 7.448 1.286 -4.757
211 H4* U 8 H4' U 8 6.800 4.023 -5.949
212 H3* U 8 H3' U 8 8.116 3.117 -3.368
213 1H2* U 8 H2' U 8 7.209 5.122 -2.360
214 2HO* U 8 2HO U 8 6.048 6.604 -3.620
215 H1* U 8 H1' U 8 4.692 4.685 -3.398
216 H3 U 8 H3 U 8 4.798 3.652 1.115
217 H5 U 8 H5 U 8 5.321 0.048 -0.994
218 H6 U 8 H6 U 8 5.686 1.308 -2.987
219 1H5* U 9 1H5' U 9 8.835 7.323 -3.642
220 2H5* U 9 2H5' U 9 10.498 7.708 -3.166
221 H4* U 9 H4' U 9 8.793 8.915 -1.807
222 H3* U 9 H3' U 9 10.477 6.865 -0.311
223 1H2* U 9 H2' U 9 9.510 7.897 1.689
224 2HO* U 9 2HO U 9 9.538 10.057 0.762
225 H1* U 9 H1' U 9 6.962 7.850 0.619
226 H3 U 9 H3 U 9 7.138 4.685 3.924
227 H5 U 9 H5 U 9 8.527 2.751 0.458
228 H6 U 9 H6 U 9 8.674 4.881 -0.615
229 1H5* G 10 1H5' G 10 11.071 10.641 1.869
230 2H5* G 10 2H5' G 10 12.754 10.686 2.420
231 H4* G 10 H4' G 10 11.044 10.852 4.261
232 H3* G 10 H3' G 10 12.901 8.439 4.290
233 1H2* G 10 H2' G 10 11.992 8.065 6.533
234 2HO* G 10 2HO G 10 11.927 10.371 7.025
235 H1* G 10 H1' G 10 9.395 8.543 5.718
236 H8 G 10 H8 G 10 10.997 6.523 2.933
237 H1 G 10 H1 G 10 9.342 3.042 8.068
238 1H2 G 10 1H2 G 10 9.429 6.117 9.748
239 2H2 G 10 2H2 G 10 9.271 4.380 9.889
240 1H5* C 11 1H5' C 11 13.422 10.470 8.277
241 2H5* C 11 2H5' C 11 15.134 10.295 8.693
242 H4* C 11 H4' C 11 13.575 9.321 10.393
243 H3* C 11 H3' C 11 15.453 7.408 8.955
244 1H2* C 11 H2' C 11 14.746 5.767 10.593
245 2HO* C 11 2HO C 11 13.466 7.944 11.902
246 H1* C 11 H1' C 11 12.066 6.538 10.426
247 1H4 C 11 1H4 C 11 13.228 2.453 5.299
248 2H4 C 11 2H4 C 11 12.624 1.459 6.609
249 H5 C 11 H5 C 11 13.799 4.846 5.613
250 H6 C 11 H6 C 11 13.796 6.654 7.177
251 1H5* G 12 1H5' G 12 16.200 6.727 13.182
252 2H5* G 12 2H5' G 12 17.952 6.548 13.401
253 H4* G 12 H4' G 12 16.736 4.564 14.223
254 H3* G 12 H3' G 12 18.417 4.083 11.713
255 1H2* G 12 H2' G 12 17.957 1.761 12.057
256 2HO* G 12 2HO G 12 18.286 2.123 14.423
257 H1* G 12 H1' G 12 15.290 2.209 12.876
258 H8 G 12 H8 G 12 16.331 4.197 9.741
259 H1 G 12 H1 G 12 14.486 -1.843 8.565
260 1H2 G 12 1H2 G 12 14.712 -2.232 12.039
261 2H2 G 12 2H2 G 12 14.406 -3.003 10.498
262 H3T G 12 3HO' G 12 19.522 4.775 13.635
Start of MODEL 9
1 1H5* C 1 1H5' C 1 13.049 -10.171 5.678
2 2H5* C 1 2H5' C 1 11.549 -10.244 6.621
3 H4* C 1 H4' C 1 13.498 -9.497 7.987
4 H3* C 1 H3' C 1 11.365 -7.371 7.519
5 1H2* C 1 H2' C 1 12.584 -6.091 9.157
6 2HO* C 1 2HO C 1 12.975 -7.945 10.543
7 H1* C 1 H1' C 1 15.082 -6.854 8.142
8 1H4 C 1 1H4 C 1 12.654 -1.645 4.704
9 2H4 C 1 2H4 C 1 13.753 -0.982 5.891
10 H5 C 1 H5 C 1 12.070 -4.049 4.620
11 H6 C 1 H6 C 1 12.472 -6.193 5.631
12 H5T C 1 H5' C 1 10.964 -8.249 5.709
13 1H5* G 2 1H5' G 2 11.617 -7.601 11.969
14 2H5* G 2 2H5' G 2 9.958 -7.342 12.536
15 H4* G 2 H4' G 2 11.583 -5.681 13.437
16 H3* G 2 H3' G 2 9.451 -4.554 11.572
17 1H2* G 2 H2' G 2 10.246 -2.395 12.386
18 2HO* G 2 2HO G 2 10.546 -3.190 14.591
19 H1* G 2 H1' G 2 12.913 -3.145 12.175
20 H8 G 2 H8 G 2 10.929 -4.389 9.141
21 H1 G 2 H1 G 2 12.443 1.843 8.912
22 1H2 G 2 1H2 G 2 12.920 1.507 12.368
23 2H2 G 2 2H2 G 2 12.831 2.599 11.002
24 1H5* C 3 1H5' C 3 9.019 -2.193 15.323
25 2H5* C 3 2H5' C 3 7.295 -1.826 15.481
26 H4* C 3 H4' C 3 8.767 0.201 15.360
27 H3* C 3 H3' C 3 6.780 -0.172 13.084
28 1H2* C 3 H2' C 3 7.389 2.131 12.514
29 2HO* C 3 2HO C 3 7.528 2.820 14.745
30 H1* C 3 H1' C 3 10.102 1.630 12.895
31 1H4 C 3 1H4 C 3 8.295 -0.583 6.854
32 2H4 C 3 2H4 C 3 8.848 1.067 6.638
33 H5 C 3 H5 C 3 8.049 -1.616 9.096
34 H6 C 3 H6 C 3 8.360 -1.268 11.445
35 1H5* A 4 1H5' A 4 5.846 3.847 14.833
36 2H5* A 4 2H5' A 4 4.097 4.069 14.664
37 H4* A 4 H4' A 4 5.489 5.833 13.526
38 H3* A 4 H3' A 4 3.719 4.107 11.752
39 1H2* A 4 H2' A 4 4.269 5.721 10.023
40 2HO* A 4 2HO A 4 5.396 7.591 10.503
41 H1* A 4 H1' A 4 6.955 5.785 10.725
42 H8 A 4 H8 A 4 5.684 2.181 10.849
43 1H6 A 4 1H6 A 4 6.511 2.136 4.711
44 2H6 A 4 2H6 A 4 6.219 1.155 6.135
45 H2 A 4 H2 A 4 6.717 6.381 6.100
46 1H5* A 5 1H5' A 5 2.845 8.403 11.119
47 2H5* A 5 2H5' A 5 1.138 8.617 10.703
48 H4* A 5 H4' A 5 2.781 9.530 9.006
49 H3* A 5 H3' A 5 0.852 7.354 8.118
50 1H2* A 5 H2' A 5 1.631 7.866 5.875
51 2HO* A 5 2HO A 5 1.759 10.153 6.130
52 H1* A 5 H1' A 5 4.294 7.976 6.640
53 H8 A 5 H8 A 5 2.574 5.090 8.460
54 1H6 A 5 1H6 A 5 3.623 1.777 3.338
55 2H6 A 5 2H6 A 5 3.115 1.724 5.017
56 H2 A 5 H2 A 5 4.405 6.060 2.374
57 1H5* A 6 1H5' A 6 -1.915 9.903 4.360
58 2H5* A 6 2H5' A 6 -1.348 8.231 4.565
59 H4* A 6 H4' A 6 0.211 10.471 3.195
60 H3* A 6 H3' A 6 -1.354 8.076 2.190
61 1H2* A 6 H2' A 6 0.270 7.883 0.382
62 2HO* A 6 2HO A 6 0.545 10.254 0.256
63 H1* A 6 H1' A 6 2.411 7.990 2.051
64 H8 A 6 H8 A 6 0.249 6.372 4.524
65 1H6 A 6 1H6 A 6 0.957 1.078 1.411
66 2H6 A 6 2H6 A 6 0.424 1.818 2.909
67 H2 A 6 H2 A 6 2.189 4.429 -1.285
68 1H5* U 7 1H5' U 7 -0.376 9.631 -1.442
69 2H5* U 7 2H5' U 7 -1.843 9.932 -2.390
70 H4* U 7 H4' U 7 -0.262 8.390 -3.551
71 H3* U 7 H3' U 7 -2.937 7.250 -2.662
72 1H2* U 7 H2' U 7 -2.376 5.292 -3.900
73 2HO* U 7 2HO U 7 -0.631 5.257 -5.319
74 H1* U 7 H1' U 7 0.329 5.349 -3.151
75 H3 U 7 H3 U 7 -1.595 1.501 -1.543
76 H5 U 7 H5 U 7 -2.360 4.458 1.358
77 H6 U 7 H6 U 7 -1.595 6.115 -0.192
78 1H5* U 8 1H5' U 8 -5.428 5.913 -6.939
79 2H5* U 8 2H5' U 8 -5.317 5.291 -5.276
80 H4* U 8 H4' U 8 -3.591 4.358 -7.619
81 H3* U 8 H3' U 8 -6.019 3.227 -6.194
82 1H2* U 8 H2' U 8 -5.158 1.033 -6.674
83 2HO* U 8 2HO U 8 -3.322 0.768 -7.960
84 H1* U 8 H1' U 8 -2.576 1.675 -5.901
85 H3 U 8 H3 U 8 -4.485 -1.086 -2.736
86 H5 U 8 H5 U 8 -4.971 2.870 -1.389
87 H6 U 8 H6 U 8 -4.357 3.648 -3.562
88 1H5* U 9 1H5' U 9 -5.613 0.866 -9.781
89 2H5* U 9 2H5' U 9 -7.213 0.578 -10.493
90 H4* U 9 H4' U 9 -6.041 -1.541 -9.932
91 H3* U 9 H3' U 9 -8.502 -0.927 -8.245
92 1H2* U 9 H2' U 9 -8.255 -3.214 -7.450
93 2HO* U 9 2HO U 9 -6.691 -4.564 -8.351
94 H1* U 9 H1' U 9 -5.516 -2.940 -7.112
95 H3 U 9 H3 U 9 -7.254 -3.155 -2.902
96 H5 U 9 H5 U 9 -7.899 0.822 -4.106
97 H6 U 9 H6 U 9 -7.268 0.199 -6.327
98 1H5* G 10 1H5' G 10 -9.144 -4.875 -9.888
99 2H5* G 10 2H5' G 10 -10.853 -5.049 -10.326
100 H4* G 10 H4' G 10 -10.088 -6.777 -8.706
101 H3* G 10 H3' G 10 -12.141 -4.793 -7.639
102 1H2* G 10 H2' G 10 -12.281 -6.324 -5.743
103 2HO* G 10 2HO G 10 -12.099 -8.237 -7.109
104 H1* G 10 H1' G 10 -9.533 -6.634 -5.598
105 H8 G 10 H8 G 10 -10.299 -2.950 -6.279
106 H1 G 10 H1 G 10 -11.045 -4.719 -0.154
107 1H2 G 10 1H2 G 10 -11.317 -7.950 -1.483
108 2H2 G 10 2H2 G 10 -11.465 -6.936 -0.064
109 1H5* C 11 1H5' C 11 -13.967 -8.838 -6.994
110 2H5* C 11 2H5' C 11 -15.712 -8.634 -7.219
111 H4* C 11 H4' C 11 -15.070 -9.489 -4.949
112 H3* C 11 H3' C 11 -16.413 -6.758 -5.054
113 1H2* C 11 H2' C 11 -16.589 -7.015 -2.625
114 2HO* C 11 2HO C 11 -17.037 -9.332 -2.793
115 H1* C 11 H1' C 11 -13.972 -7.945 -2.418
116 1H4 C 11 1H4 C 11 -13.568 -1.317 -2.909
117 2H4 C 11 2H4 C 11 -13.599 -1.698 -1.199
118 H5 C 11 H5 C 11 -13.961 -3.038 -4.655
119 H6 C 11 H6 C 11 -14.340 -5.368 -5.032
120 1H5* G 12 1H5' G 12 -18.946 -9.099 -2.278
121 2H5* G 12 2H5' G 12 -20.619 -8.657 -2.658
122 H4* G 12 H4' G 12 -20.057 -8.221 -0.284
123 H3* G 12 H3' G 12 -20.600 -5.741 -1.985
124 1H2* G 12 H2' G 12 -20.584 -4.536 0.089
125 2HO* G 12 2HO G 12 -21.788 -6.377 1.082
126 H1* G 12 H1' G 12 -18.427 -6.003 1.151
127 H8 G 12 H8 G 12 -17.853 -4.994 -2.512
128 H1 G 12 H1 G 12 -16.594 -0.329 1.720
129 1H2 G 12 1H2 G 12 -18.239 -2.409 4.006
130 2H2 G 12 2H2 G 12 -17.458 -0.867 3.729
131 H3T G 12 3HO' G 12 -22.308 -7.308 -1.746
132 1H5* C 1 1H5' C 1 -14.882 6.493 7.430
133 2H5* C 1 2H5' C 1 -13.841 5.547 8.511
134 H4* C 1 H4' C 1 -16.043 4.448 8.150
135 H3* C 1 H3' C 1 -13.667 3.001 6.906
136 1H2* C 1 H2' C 1 -15.231 1.203 6.521
137 2HO* C 1 2HO C 1 -16.264 1.443 8.610
138 H1* C 1 H1' C 1 -17.298 2.942 5.770
139 1H4 C 1 1H4 C 1 -13.334 1.654 0.529
140 2H4 C 1 2H4 C 1 -14.699 0.570 0.394
141 H5 C 1 H5 C 1 -12.997 3.141 2.482
142 H6 C 1 H6 C 1 -13.932 3.847 4.582
143 H5T C 1 H5' C 1 -12.737 6.305 6.661
144 1H5* G 2 1H5' G 2 -15.462 -0.090 9.609
145 2H5* G 2 2H5' G 2 -14.080 -1.010 10.229
146 H4* G 2 H4' G 2 -15.753 -2.414 9.019
147 H3* G 2 H3' G 2 -13.002 -2.212 7.722
148 1H2* G 2 H2' G 2 -13.806 -4.039 6.320
149 2HO* G 2 2HO G 2 -14.928 -5.096 8.107
150 H1* G 2 H1' G 2 -16.301 -2.860 5.977
151 H8 G 2 H8 G 2 -13.518 -0.235 5.725
152 H1 G 2 H1 G 2 -14.337 -3.741 0.411
153 1H2 G 2 1H2 G 2 -15.975 -5.983 2.550
154 2H2 G 2 2H2 G 2 -15.340 -5.690 0.946
155 1H5* C 3 1H5' C 3 -13.678 -6.602 8.300
156 2H5* C 3 2H5' C 3 -12.082 -7.302 8.616
157 H4* C 3 H4' C 3 -13.240 -8.238 6.601
158 H3* C 3 H3' C 3 -10.632 -6.751 6.119
159 1H2* C 3 H2' C 3 -10.775 -7.646 3.864
160 2HO* C 3 2HO C 3 -12.939 -9.202 4.849
161 H1* C 3 H1' C 3 -13.504 -7.096 3.668
162 1H4 C 3 1H4 C 3 -10.002 -1.557 2.347
163 2H4 C 3 2H4 C 3 -10.328 -2.326 0.807
164 H5 C 3 H5 C 3 -10.560 -2.635 4.511
165 H6 C 3 H6 C 3 -11.610 -4.531 5.524
166 1H5* A 4 1H5' A 4 -10.115 -10.715 4.324
167 2H5* A 4 2H5' A 4 -8.437 -11.228 4.572
168 H4* A 4 H4' A 4 -9.124 -11.180 2.172
169 H3* A 4 H3' A 4 -6.960 -9.186 2.965
170 1H2* A 4 H2' A 4 -6.710 -8.876 0.556
171 2HO* A 4 2HO A 4 -7.092 -11.196 0.131
172 H1* A 4 H1' A 4 -9.450 -8.791 0.141
173 H8 A 4 H8 A 4 -8.609 -6.832 3.315
174 1H6 A 4 1H6 A 4 -7.428 -2.095 -0.493
175 2H6 A 4 2H6 A 4 -7.719 -2.573 1.168
176 H2 A 4 H2 A 4 -7.577 -5.830 -2.945
177 1H5* A 5 1H5' A 5 -5.326 -11.708 -0.415
178 2H5* A 5 2H5' A 5 -3.577 -11.802 -0.182
179 H4* A 5 H4' A 5 -4.343 -10.787 -2.386
180 H3* A 5 H3' A 5 -2.617 -9.124 -0.517
181 1H2* A 5 H2' A 5 -2.449 -7.570 -2.359
182 2HO* A 5 2HO A 5 -3.185 -8.098 -4.403
183 H1* A 5 H1' A 5 -5.152 -7.779 -3.017
184 H8 A 5 H8 A 5 -4.692 -7.606 0.777
185 1H6 A 5 1H6 A 5 -4.392 -1.463 0.046
186 2H6 A 5 2H6 A 5 -4.488 -2.779 1.204
187 H2 A 5 H2 A 5 -4.179 -3.335 -3.999
188 1H5* A 6 1H5' A 6 1.652 -8.287 -3.572
189 2H5* A 6 2H5' A 6 0.757 -7.318 -2.378
190 H4* A 6 H4' A 6 0.193 -7.384 -5.379
191 H3* A 6 H3' A 6 1.570 -5.411 -3.537
192 1H2* A 6 H2' A 6 0.697 -3.620 -4.926
193 2HO* A 6 2HO A 6 -0.528 -4.140 -6.779
194 H1* A 6 H1' A 6 -1.849 -4.588 -4.893
195 H8 A 6 H8 A 6 -0.958 -5.779 -1.527
196 1H6 A 6 1H6 A 6 -1.504 0.061 0.442
197 2H6 A 6 2H6 A 6 -1.371 -1.621 0.918
198 H2 A 6 H2 A 6 -1.192 0.137 -4.022
199 1H5* U 7 1H5' U 7 2.201 -3.563 -7.151
200 2H5* U 7 2H5' U 7 3.928 -3.242 -7.390
201 H4* U 7 H4' U 7 2.558 -1.168 -7.534
202 H3* U 7 H3' U 7 4.494 -1.398 -5.198
203 1H2* U 7 H2' U 7 3.999 0.902 -4.743
204 2HO* U 7 2HO U 7 4.020 1.609 -6.930
205 H1* U 7 H1' U 7 1.263 0.620 -5.269
206 H3 U 7 H3 U 7 1.874 1.644 -0.822
207 H5 U 7 H5 U 7 2.203 -2.547 -1.088
208 H6 U 7 H6 U 7 2.267 -2.348 -3.470
209 1H5* U 8 1H5' U 8 8.027 2.209 -5.750
210 2H5* U 8 2H5' U 8 7.229 1.387 -4.390
211 H4* U 8 H4' U 8 6.313 4.022 -5.639
212 H3* U 8 H3' U 8 7.829 3.285 -3.116
213 1H2* U 8 H2' U 8 6.817 5.205 -2.070
214 2HO* U 8 2HO U 8 5.495 6.599 -3.265
215 H1* U 8 H1' U 8 4.286 4.591 -2.985
216 H3 U 8 H3 U 8 4.644 3.597 1.520
217 H5 U 8 H5 U 8 5.203 0.011 -0.609
218 H6 U 8 H6 U 8 5.449 1.282 -2.615
219 1H5* U 9 1H5' U 9 8.257 7.533 -3.484
220 2H5* U 9 2H5' U 9 9.922 8.021 -3.113
221 H4* U 9 H4' U 9 8.253 9.129 -1.643
222 H3* U 9 H3' U 9 10.104 7.147 -0.252
223 1H2* U 9 H2' U 9 9.186 8.112 1.806
224 2HO* U 9 2HO U 9 9.073 10.282 0.903
225 H1* U 9 H1' U 9 6.596 7.959 0.861
226 H3 U 9 H3 U 9 6.974 4.725 4.061
227 H5 U 9 H5 U 9 8.460 2.955 0.548
228 H6 U 9 H6 U 9 8.466 5.113 -0.478
229 1H5* G 10 1H5' G 10 10.634 10.952 1.913
230 2H5* G 10 2H5' G 10 12.338 11.068 2.387
231 H4* G 10 H4' G 10 10.721 11.157 4.309
232 H3* G 10 H3' G 10 12.656 8.809 4.229
233 1H2* G 10 H2' G 10 11.862 8.384 6.504
234 2HO* G 10 2HO G 10 11.755 10.682 7.027
235 H1* G 10 H1' G 10 9.217 8.796 5.822
236 H8 G 10 H8 G 10 10.813 6.835 2.972
237 H1 G 10 H1 G 10 9.366 3.268 8.107
238 1H2 G 10 1H2 G 10 9.388 6.336 9.810
239 2H2 G 10 2H2 G 10 9.291 4.593 9.940
240 1H5* C 11 1H5' C 11 13.321 10.769 8.195
241 2H5* C 11 2H5' C 11 15.051 10.624 8.545
242 H4* C 11 H4' C 11 13.578 9.547 10.264
243 H3* C 11 H3' C 11 15.416 7.701 8.688
244 1H2* C 11 H2' C 11 14.779 6.029 10.360
245 2HO* C 11 2HO C 11 14.771 7.604 12.112
246 H1* C 11 H1' C 11 12.094 6.749 10.225
247 1H4 C 11 1H4 C 11 13.214 2.868 4.934
248 2H4 C 11 2H4 C 11 12.649 1.818 6.217
249 H5 C 11 H5 C 11 13.754 5.258 5.319
250 H6 C 11 H6 C 11 13.755 7.010 6.944
251 1H5* G 12 1H5' G 12 16.450 6.875 12.907
252 2H5* G 12 2H5' G 12 18.214 6.706 12.952
253 H4* G 12 H4' G 12 17.058 4.687 13.810
254 H3* G 12 H3' G 12 18.603 4.320 11.198
255 1H2* G 12 H2' G 12 18.210 1.973 11.502
256 2HO* G 12 2HO G 12 18.633 2.267 13.856
257 H1* G 12 H1' G 12 15.572 2.336 12.413
258 H8 G 12 H8 G 12 16.358 4.541 9.368
259 H1 G 12 H1 G 12 14.915 -1.542 7.898
260 1H2 G 12 1H2 G 12 15.356 -2.128 11.321
261 2H2 G 12 2H2 G 12 15.028 -2.820 9.747
262 H3T G 12 3HO' G 12 19.788 4.971 13.096
Start of MODEL 10
1 1H5* C 1 1H5' C 1 13.349 -10.078 5.799
2 2H5* C 1 2H5' C 1 11.813 -10.225 6.674
3 H4* C 1 H4' C 1 13.654 -9.397 8.132
4 H3* C 1 H3' C 1 11.469 -7.353 7.556
5 1H2* C 1 H2' C 1 12.556 -6.029 9.249
6 2HO* C 1 2HO C 1 12.946 -7.844 10.667
7 H1* C 1 H1' C 1 15.128 -6.700 8.363
8 1H4 C 1 1H4 C 1 12.692 -1.579 4.802
9 2H4 C 1 2H4 C 1 13.700 -0.878 6.047
10 H5 C 1 H5 C 1 12.196 -4.002 4.691
11 H6 C 1 H6 C 1 12.623 -6.131 5.724
12 H5T C 1 H5' C 1 11.175 -8.259 5.737
13 1H5* G 2 1H5' G 2 11.529 -7.647 12.048
14 2H5* G 2 2H5' G 2 9.850 -7.379 12.543
15 H4* G 2 H4' G 2 11.474 -5.732 13.509
16 H3* G 2 H3' G 2 9.371 -4.600 11.617
17 1H2* G 2 H2' G 2 10.144 -2.445 12.451
18 2HO* G 2 2HO G 2 10.405 -3.246 14.660
19 H1* G 2 H1' G 2 12.821 -3.184 12.295
20 H8 G 2 H8 G 2 10.843 -4.384 9.227
21 H1 G 2 H1 G 2 12.472 1.822 9.056
22 1H2 G 2 1H2 G 2 12.940 1.448 12.508
23 2H2 G 2 2H2 G 2 12.872 2.552 11.151
24 1H5* C 3 1H5' C 3 8.862 -2.289 15.403
25 2H5* C 3 2H5' C 3 7.140 -1.893 15.514
26 H4* C 3 H4' C 3 8.669 0.102 15.453
27 H3* C 3 H3' C 3 6.711 -0.188 13.141
28 1H2* C 3 H2' C 3 7.390 2.111 12.619
29 2HO* C 3 2HO C 3 7.527 2.746 14.872
30 H1* C 3 H1' C 3 10.080 1.523 13.007
31 1H4 C 3 1H4 C 3 8.244 -0.608 6.945
32 2H4 C 3 2H4 C 3 8.856 1.019 6.737
33 H5 C 3 H5 C 3 7.939 -1.638 9.180
34 H6 C 3 H6 C 3 8.252 -1.314 11.529
35 1H5* A 4 1H5' A 4 5.859 3.820 14.884
36 2H5* A 4 2H5' A 4 4.116 4.086 14.717
37 H4* A 4 H4' A 4 5.543 5.826 13.605
38 H3* A 4 H3' A 4 3.752 4.164 11.789
39 1H2* A 4 H2' A 4 4.341 5.829 10.099
40 2HO* A 4 2HO A 4 4.338 7.591 11.726
41 H1* A 4 H1' A 4 7.022 5.771 10.785
42 H8 A 4 H8 A 4 5.708 2.196 10.933
43 1H6 A 4 1H6 A 4 6.494 2.104 4.794
44 2H6 A 4 2H6 A 4 6.211 1.135 6.229
45 H2 A 4 H2 A 4 6.709 6.360 6.145
46 1H5* A 5 1H5' A 5 2.772 8.485 11.084
47 2H5* A 5 2H5' A 5 1.051 8.576 10.693
48 H4* A 5 H4' A 5 2.623 9.502 8.927
49 H3* A 5 H3' A 5 0.781 7.201 8.184
50 1H2* A 5 H2' A 5 1.472 7.642 5.907
51 2HO* A 5 2HO A 5 2.674 9.449 5.384
52 H1* A 5 H1' A 5 4.155 7.959 6.604
53 H8 A 5 H8 A 5 2.705 5.018 8.540
54 1H6 A 5 1H6 A 5 3.642 1.673 3.410
55 2H6 A 5 2H6 A 5 3.203 1.621 5.108
56 H2 A 5 H2 A 5 4.248 5.967 2.370
57 1H5* A 6 1H5' A 6 -2.111 9.631 4.358
58 2H5* A 6 2H5' A 6 -1.485 7.977 4.551
59 H4* A 6 H4' A 6 -0.003 10.279 3.198
60 H3* A 6 H3' A 6 -1.511 7.857 2.172
61 1H2* A 6 H2' A 6 0.099 7.734 0.346
62 2HO* A 6 2HO A 6 0.312 10.113 0.253
63 H1* A 6 H1' A 6 2.250 7.877 1.997
64 H8 A 6 H8 A 6 0.183 6.160 4.473
65 1H6 A 6 1H6 A 6 1.048 0.928 1.298
66 2H6 A 6 2H6 A 6 0.522 1.636 2.813
67 H2 A 6 H2 A 6 2.071 4.354 -1.398
68 1H5* U 7 1H5' U 7 -0.611 9.572 -1.451
69 2H5* U 7 2H5' U 7 -2.102 9.837 -2.372
70 H4* U 7 H4' U 7 -0.479 8.418 -3.609
71 H3* U 7 H3' U 7 -3.067 7.095 -2.704
72 1H2* U 7 H2' U 7 -2.416 5.228 -4.060
73 2HO* U 7 2HO U 7 -1.632 6.459 -5.838
74 H1* U 7 H1' U 7 0.272 5.361 -3.286
75 H3 U 7 H3 U 7 -1.558 1.436 -1.733
76 H5 U 7 H5 U 7 -2.374 4.329 1.217
77 H6 U 7 H6 U 7 -1.664 6.027 -0.312
78 1H5* U 8 1H5' U 8 -5.617 5.829 -6.953
79 2H5* U 8 2H5' U 8 -5.423 5.131 -5.330
80 H4* U 8 H4' U 8 -3.719 4.434 -7.766
81 H3* U 8 H3' U 8 -6.064 3.103 -6.384
82 1H2* U 8 H2' U 8 -5.094 0.965 -6.921
83 2HO* U 8 2HO U 8 -3.199 2.455 -8.428
84 H1* U 8 H1' U 8 -2.566 1.663 -6.091
85 H3 U 8 H3 U 8 -4.468 -1.101 -2.928
86 H5 U 8 H5 U 8 -4.953 2.855 -1.588
87 H6 U 8 H6 U 8 -4.356 3.628 -3.765
88 1H5* U 9 1H5' U 9 -5.654 0.777 -9.933
89 2H5* U 9 2H5' U 9 -7.255 0.515 -10.655
90 H4* U 9 H4' U 9 -6.158 -1.626 -10.081
91 H3* U 9 H3' U 9 -8.564 -0.932 -8.343
92 1H2* U 9 H2' U 9 -8.361 -3.214 -7.534
93 2HO* U 9 2HO U 9 -6.858 -4.618 -8.453
94 H1* U 9 H1' U 9 -5.609 -3.014 -7.258
95 H3 U 9 H3 U 9 -7.333 -3.154 -3.030
96 H5 U 9 H5 U 9 -7.811 0.844 -4.239
97 H6 U 9 H6 U 9 -7.209 0.192 -6.460
98 1H5* G 10 1H5' G 10 -9.323 -4.875 -9.941
99 2H5* G 10 2H5' G 10 -11.047 -5.029 -10.324
100 H4* G 10 H4' G 10 -10.241 -6.757 -8.717
101 H3* G 10 H3' G 10 -12.263 -4.758 -7.624
102 1H2* G 10 H2' G 10 -12.375 -6.275 -5.713
103 2HO* G 10 2HO G 10 -12.220 -8.196 -7.078
104 H1* G 10 H1' G 10 -9.626 -6.593 -5.614
105 H8 G 10 H8 G 10 -10.380 -2.915 -6.324
106 H1 G 10 H1 G 10 -10.989 -4.599 -0.160
107 1H2 G 10 1H2 G 10 -11.337 -7.844 -1.438
108 2H2 G 10 2H2 G 10 -11.438 -6.810 -0.030
109 1H5* C 11 1H5' C 11 -14.083 -8.779 -6.909
110 2H5* C 11 2H5' C 11 -15.829 -8.579 -7.130
111 H4* C 11 H4' C 11 -15.194 -9.404 -4.852
112 H3* C 11 H3' C 11 -16.500 -6.656 -4.990
113 1H2* C 11 H2' C 11 -16.671 -6.872 -2.561
114 2HO* C 11 2HO C 11 -17.182 -9.166 -2.673
115 H1* C 11 H1' C 11 -14.075 -7.871 -2.345
116 1H4 C 11 1H4 C 11 -13.542 -1.249 -2.861
117 2H4 C 11 2H4 C 11 -13.557 -1.623 -1.150
118 H5 C 11 H5 C 11 -13.989 -2.965 -4.594
119 H6 C 11 H6 C 11 -14.411 -5.291 -4.961
120 1H5* G 12 1H5' G 12 -19.103 -8.975 -2.212
121 2H5* G 12 2H5' G 12 -20.761 -8.468 -2.587
122 H4* G 12 H4' G 12 -20.164 -8.068 -0.210
123 H3* G 12 H3' G 12 -20.648 -5.566 -1.896
124 1H2* G 12 H2' G 12 -20.579 -4.372 0.184
125 2HO* G 12 2HO G 12 -21.831 -6.179 1.178
126 H1* G 12 H1' G 12 -18.459 -5.915 1.221
127 H8 G 12 H8 G 12 -17.944 -4.857 -2.447
128 H1 G 12 H1 G 12 -16.419 -0.321 1.836
129 1H2 G 12 1H2 G 12 -18.043 -2.409 4.132
130 2H2 G 12 2H2 G 12 -17.236 -0.880 3.862
131 H3T G 12 3HO' G 12 -22.691 -5.768 -0.804
132 1H5* C 1 1H5' C 1 -14.724 6.595 7.437
133 2H5* C 1 2H5' C 1 -13.610 5.694 8.483
134 H4* C 1 H4' C 1 -15.777 4.504 8.182
135 H3* C 1 H3' C 1 -13.374 3.156 6.882
136 1H2* C 1 H2' C 1 -14.872 1.286 6.562
137 2HO* C 1 2HO C 1 -15.858 1.494 8.670
138 H1* C 1 H1' C 1 -17.031 2.939 5.859
139 1H4 C 1 1H4 C 1 -13.203 1.724 0.504
140 2H4 C 1 2H4 C 1 -14.532 0.589 0.433
141 H5 C 1 H5 C 1 -12.850 3.244 2.430
142 H6 C 1 H6 C 1 -13.736 3.946 4.550
143 H5T C 1 H5' C 1 -13.583 5.776 5.648
144 1H5* G 2 1H5' G 2 -14.995 0.055 9.718
145 2H5* G 2 2H5' G 2 -13.574 -0.845 10.274
146 H4* G 2 H4' G 2 -15.302 -2.267 9.152
147 H3* G 2 H3' G 2 -12.601 -2.075 7.754
148 1H2* G 2 H2' G 2 -13.454 -3.921 6.405
149 2HO* G 2 2HO G 2 -14.505 -4.956 8.249
150 H1* G 2 H1' G 2 -15.964 -2.759 6.139
151 H8 G 2 H8 G 2 -13.164 -0.156 5.760
152 H1 G 2 H1 G 2 -14.273 -3.653 0.491
153 1H2 G 2 1H2 G 2 -15.855 -5.866 2.700
154 2H2 G 2 2H2 G 2 -15.281 -5.585 1.070
155 1H5* C 3 1H5' C 3 -13.267 -6.461 8.446
156 2H5* C 3 2H5' C 3 -11.660 -7.167 8.685
157 H4* C 3 H4' C 3 -12.938 -8.113 6.743
158 H3* C 3 H3' C 3 -10.330 -6.678 6.123
159 1H2* C 3 H2' C 3 -10.596 -7.588 3.885
160 2HO* C 3 2HO C 3 -12.735 -9.102 4.986
161 H1* C 3 H1' C 3 -13.322 -6.998 3.810
162 1H4 C 3 1H4 C 3 -9.808 -1.525 2.269
163 2H4 C 3 2H4 C 3 -10.226 -2.294 0.753
164 H5 C 3 H5 C 3 -10.264 -2.580 4.465
165 H6 C 3 H6 C 3 -11.292 -4.449 5.545
166 1H5* A 4 1H5' A 4 -9.962 -10.651 4.336
167 2H5* A 4 2H5' A 4 -8.285 -11.197 4.516
168 H4* A 4 H4' A 4 -9.066 -11.139 2.145
169 H3* A 4 H3' A 4 -6.838 -9.185 2.851
170 1H2* A 4 H2' A 4 -6.676 -8.874 0.438
171 2HO* A 4 2HO A 4 -7.098 -11.183 0.016
172 H1* A 4 H1' A 4 -9.431 -8.754 0.122
173 H8 A 4 H8 A 4 -8.448 -6.789 3.249
174 1H6 A 4 1H6 A 4 -7.376 -2.085 -0.634
175 2H6 A 4 2H6 A 4 -7.606 -2.550 1.041
176 H2 A 4 H2 A 4 -7.636 -5.838 -3.050
177 1H5* A 5 1H5' A 5 -5.362 -11.718 -0.591
178 2H5* A 5 2H5' A 5 -3.609 -11.844 -0.405
179 H4* A 5 H4' A 5 -4.405 -10.797 -2.581
180 H3* A 5 H3' A 5 -2.621 -9.169 -0.735
181 1H2* A 5 H2' A 5 -2.472 -7.605 -2.566
182 2HO* A 5 2HO A 5 -3.243 -8.108 -4.601
183 H1* A 5 H1' A 5 -5.191 -7.790 -3.184
184 H8 A 5 H8 A 5 -4.644 -7.616 0.602
185 1H6 A 5 1H6 A 5 -4.330 -1.475 -0.149
186 2H6 A 5 2H6 A 5 -4.403 -2.786 1.015
187 H2 A 5 H2 A 5 -4.226 -3.355 -4.194
188 1H5* A 6 1H5' A 6 1.603 -8.351 -3.853
189 2H5* A 6 2H5' A 6 0.728 -7.384 -2.642
190 H4* A 6 H4' A 6 0.124 -7.436 -5.634
191 H3* A 6 H3' A 6 1.515 -5.454 -3.807
192 1H2* A 6 H2' A 6 0.619 -3.676 -5.218
193 2HO* A 6 2HO A 6 0.803 -5.007 -7.188
194 H1* A 6 H1' A 6 -1.920 -4.640 -5.109
195 H8 A 6 H8 A 6 -0.957 -5.857 -1.773
196 1H6 A 6 1H6 A 6 -1.422 -0.037 0.265
197 2H6 A 6 2H6 A 6 -1.287 -1.724 0.721
198 H2 A 6 H2 A 6 -1.220 0.085 -4.202
199 1H5* U 7 1H5' U 7 2.161 -3.519 -7.357
200 2H5* U 7 2H5' U 7 3.894 -3.225 -7.575
201 H4* U 7 H4' U 7 2.572 -1.122 -7.646
202 H3* U 7 H3' U 7 4.467 -1.474 -5.290
203 1H2* U 7 H2' U 7 4.008 0.826 -4.778
204 2HO* U 7 2HO U 7 4.068 1.600 -6.940
205 H1* U 7 H1' U 7 1.276 0.602 -5.345
206 H3 U 7 H3 U 7 1.882 1.489 -0.865
207 H5 U 7 H5 U 7 2.205 -2.694 -1.247
208 H6 U 7 H6 U 7 2.244 -2.430 -3.625
209 1H5* U 8 1H5' U 8 8.027 2.150 -5.666
210 2H5* U 8 2H5' U 8 7.180 1.316 -4.343
211 H4* U 8 H4' U 8 6.286 3.945 -5.615
212 H3* U 8 H3' U 8 7.755 3.255 -3.050
213 1H2* U 8 H2' U 8 6.694 5.213 -2.076
214 2HO* U 8 2HO U 8 6.790 6.434 -4.096
215 H1* U 8 H1' U 8 4.198 4.506 -2.987
216 H3 U 8 H3 U 8 4.550 3.529 1.526
217 H5 U 8 H5 U 8 5.182 -0.047 -0.594
218 H6 U 8 H6 U 8 5.413 1.222 -2.600
219 1H5* U 9 1H5' U 9 8.288 7.546 -3.458
220 2H5* U 9 2H5' U 9 9.948 7.966 -3.004
221 H4* U 9 H4' U 9 8.216 9.111 -1.614
222 H3* U 9 H3' U 9 10.014 7.125 -0.162
223 1H2* U 9 H2' U 9 9.043 8.113 1.865
224 2HO* U 9 2HO U 9 8.960 10.275 0.923
225 H1* U 9 H1' U 9 6.480 7.951 0.852
226 H3 U 9 H3 U 9 6.876 4.749 4.107
227 H5 U 9 H5 U 9 8.322 2.942 0.597
228 H6 U 9 H6 U 9 8.315 5.085 -0.454
229 1H5* G 10 1H5' G 10 10.487 10.899 2.006
230 2H5* G 10 2H5' G 10 12.181 11.042 2.504
231 H4* G 10 H4' G 10 10.537 11.104 4.403
232 H3* G 10 H3' G 10 12.518 8.795 4.342
233 1H2* G 10 H2' G 10 11.713 8.345 6.607
234 2HO* G 10 2HO G 10 11.541 10.639 7.135
235 H1* G 10 H1' G 10 9.066 8.688 5.897
236 H8 G 10 H8 G 10 10.653 6.799 3.013
237 H1 G 10 H1 G 10 9.387 3.156 8.145
238 1H2 G 10 1H2 G 10 9.404 6.205 9.879
239 2H2 G 10 2H2 G 10 9.332 4.460 9.993
240 1H5* C 11 1H5' C 11 13.099 10.759 8.315
241 2H5* C 11 2H5' C 11 14.835 10.690 8.659
242 H4* C 11 H4' C 11 13.431 9.558 10.393
243 H3* C 11 H3' C 11 15.316 7.780 8.792
244 1H2* C 11 H2' C 11 14.769 6.086 10.469
245 2HO* C 11 2HO C 11 14.726 7.676 12.220
246 H1* C 11 H1' C 11 12.055 6.707 10.382
247 1H4 C 11 1H4 C 11 13.163 2.878 5.060
248 2H4 C 11 2H4 C 11 12.667 1.809 6.357
249 H5 C 11 H5 C 11 13.654 5.278 5.442
250 H6 C 11 H6 C 11 13.640 7.028 7.072
251 1H5* G 12 1H5' G 12 16.445 7.031 13.000
252 2H5* G 12 2H5' G 12 18.213 6.920 13.023
253 H4* G 12 H4' G 12 17.132 4.873 13.911
254 H3* G 12 H3' G 12 18.657 4.547 11.285
255 1H2* G 12 H2' G 12 18.321 2.199 11.536
256 2HO* G 12 2HO G 12 17.649 2.859 14.214
257 H1* G 12 H1' G 12 15.705 2.472 12.562
258 H8 G 12 H8 G 12 16.391 4.651 9.466
259 H1 G 12 H1 G 12 14.905 -1.454 8.129
260 1H2 G 12 1H2 G 12 15.402 -1.975 11.556
261 2H2 G 12 2H2 G 12 15.041 -2.698 10.003
262 H3T G 12 3HO' G 12 19.829 5.245 13.164
Start of MODEL 11
1 1H5* C 1 1H5' C 1 11.940 -10.708 5.223
2 2H5* C 1 2H5' C 1 10.337 -10.746 5.982
3 H4* C 1 H4' C 1 12.114 -10.033 7.579
4 H3* C 1 H3' C 1 10.119 -7.863 6.815
5 1H2* C 1 H2' C 1 11.128 -6.599 8.601
6 2HO* C 1 2HO C 1 12.564 -7.549 10.038
7 H1* C 1 H1' C 1 13.724 -7.465 7.939
8 1H4 C 1 1H4 C 1 11.961 -2.111 4.320
9 2H4 C 1 2H4 C 1 12.919 -1.512 5.655
10 H5 C 1 H5 C 1 11.309 -4.491 4.105
11 H6 C 1 H6 C 1 11.497 -6.667 5.110
12 H5T C 1 H5' C 1 11.389 -8.685 4.338
13 1H5* G 2 1H5' G 2 10.036 -8.162 11.228
14 2H5* G 2 2H5' G 2 8.369 -7.860 11.752
15 H4* G 2 H4' G 2 10.008 -6.295 12.789
16 H3* G 2 H3' G 2 8.022 -5.023 10.860
17 1H2* G 2 H2' G 2 8.862 -2.929 11.734
18 2HO* G 2 2HO G 2 10.218 -2.872 13.513
19 H1* G 2 H1' G 2 11.509 -3.804 11.734
20 H8 G 2 H8 G 2 9.635 -4.750 8.513
21 H1 G 2 H1 G 2 11.760 1.305 8.686
22 1H2 G 2 1H2 G 2 11.978 0.773 12.141
23 2H2 G 2 2H2 G 2 12.082 1.926 10.829
24 1H5* C 3 1H5' C 3 7.679 -2.852 14.692
25 2H5* C 3 2H5' C 3 5.994 -2.346 14.891
26 H4* C 3 H4' C 3 7.618 -0.451 14.921
27 H3* C 3 H3' C 3 5.641 -0.496 12.608
28 1H2* C 3 H2' C 3 6.448 1.741 12.134
29 2HO* C 3 2HO C 3 7.775 1.554 14.639
30 H1* C 3 H1' C 3 9.114 1.040 12.607
31 1H4 C 3 1H4 C 3 7.522 -0.678 6.356
32 2H4 C 3 2H4 C 3 8.282 0.898 6.267
33 H5 C 3 H5 C 3 6.948 -1.755 8.514
34 H6 C 3 H6 C 3 7.115 -1.555 10.893
35 1H5* A 4 1H5' A 4 5.150 3.445 14.456
36 2H5* A 4 2H5' A 4 3.429 3.864 14.389
37 H4* A 4 H4' A 4 4.883 5.541 13.256
38 H3* A 4 H3' A 4 3.017 3.986 11.419
39 1H2* A 4 H2' A 4 3.666 5.618 9.753
40 2HO* A 4 2HO A 4 4.865 7.425 10.302
41 H1* A 4 H1' A 4 6.351 5.555 10.518
42 H8 A 4 H8 A 4 4.883 2.019 10.362
43 1H6 A 4 1H6 A 4 6.154 2.273 4.305
44 2H6 A 4 2H6 A 4 5.715 1.231 5.646
45 H2 A 4 H2 A 4 6.419 6.424 5.947
46 1H5* A 5 1H5' A 5 2.347 8.358 10.932
47 2H5* A 5 2H5' A 5 0.656 8.648 10.503
48 H4* A 5 H4' A 5 2.342 9.553 8.850
49 H3* A 5 H3' A 5 0.382 7.443 7.870
50 1H2* A 5 H2' A 5 1.216 7.988 5.661
51 2HO* A 5 2HO A 5 1.353 10.269 5.965
52 H1* A 5 H1' A 5 3.871 8.093 6.499
53 H8 A 5 H8 A 5 2.038 5.121 8.080
54 1H6 A 5 1H6 A 5 3.387 2.074 2.864
55 2H6 A 5 2H6 A 5 2.777 1.939 4.503
56 H2 A 5 H2 A 5 4.222 6.414 2.177
57 1H5* A 6 1H5' A 6 -2.306 10.012 4.136
58 2H5* A 6 2H5' A 6 -1.725 8.345 4.347
59 H4* A 6 H4' A 6 -0.178 10.596 2.979
60 H3* A 6 H3' A 6 -1.728 8.194 1.972
61 1H2* A 6 H2' A 6 -0.125 8.018 0.159
62 2HO* A 6 2HO A 6 1.539 9.573 -0.016
63 H1* A 6 H1' A 6 2.044 8.193 1.807
64 H8 A 6 H8 A 6 -0.149 6.426 4.183
65 1H6 A 6 1H6 A 6 0.986 1.261 0.969
66 2H6 A 6 2H6 A 6 0.328 1.928 2.450
67 H2 A 6 H2 A 6 2.147 4.750 -1.580
68 1H5* U 7 1H5' U 7 -0.796 9.976 -1.627
69 2H5* U 7 2H5' U 7 -2.261 10.197 -2.601
70 H4* U 7 H4' U 7 -0.561 8.812 -3.776
71 H3* U 7 H3' U 7 -3.134 7.412 -2.952
72 1H2* U 7 H2' U 7 -2.370 5.549 -4.253
73 2HO* U 7 2HO U 7 -1.567 6.769 -6.025
74 H1* U 7 H1' U 7 0.281 5.787 -3.387
75 H3 U 7 H3 U 7 -1.418 1.822 -1.821
76 H5 U 7 H5 U 7 -2.611 4.733 0.979
77 H6 U 7 H6 U 7 -1.872 6.429 -0.539
78 1H5* U 8 1H5' U 8 -5.493 5.961 -7.252
79 2H5* U 8 2H5' U 8 -5.352 5.334 -5.595
80 H4* U 8 H4' U 8 -3.555 4.563 -7.942
81 H3* U 8 H3' U 8 -5.852 3.201 -6.499
82 1H2* U 8 H2' U 8 -4.770 1.095 -7.004
83 2HO* U 8 2HO U 8 -4.007 1.820 -9.107
84 H1* U 8 H1' U 8 -2.304 1.960 -6.147
85 H3 U 8 H3 U 8 -4.110 -0.819 -2.938
86 H5 U 8 H5 U 8 -4.955 3.133 -1.764
87 H6 U 8 H6 U 8 -4.309 3.879 -3.936
88 1H5* U 9 1H5' U 9 -5.469 0.724 -9.978
89 2H5* U 9 2H5' U 9 -7.094 0.353 -10.585
90 H4* U 9 H4' U 9 -5.829 -1.678 -9.946
91 H3* U 9 H3' U 9 -8.242 -1.042 -8.203
92 1H2* U 9 H2' U 9 -7.893 -3.253 -7.260
93 2HO* U 9 2HO U 9 -5.907 -3.586 -9.265
94 H1* U 9 H1' U 9 -5.162 -2.879 -7.021
95 H3 U 9 H3 U 9 -6.980 -2.870 -2.815
96 H5 U 9 H5 U 9 -7.534 1.049 -4.241
97 H6 U 9 H6 U 9 -6.846 0.307 -6.405
98 1H5* G 10 1H5' G 10 -8.769 -5.118 -9.576
99 2H5* G 10 2H5' G 10 -10.484 -5.411 -9.914
100 H4* G 10 H4' G 10 -9.510 -6.978 -8.233
101 H3* G 10 H3' G 10 -11.695 -5.108 -7.242
102 1H2* G 10 H2' G 10 -11.666 -6.452 -5.223
103 2HO* G 10 2HO G 10 -9.943 -8.201 -6.659
104 H1* G 10 H1' G 10 -8.901 -6.566 -5.128
105 H8 G 10 H8 G 10 -9.946 -3.019 -6.090
106 H1 G 10 H1 G 10 -10.417 -4.320 0.180
107 1H2 G 10 1H2 G 10 -10.485 -7.662 -0.873
108 2H2 G 10 2H2 G 10 -10.670 -6.547 0.463
109 1H5* C 11 1H5' C 11 -12.938 -9.188 -6.185
110 2H5* C 11 2H5' C 11 -14.692 -9.313 -6.400
111 H4* C 11 H4' C 11 -13.959 -9.860 -4.077
112 H3* C 11 H3' C 11 -15.653 -7.349 -4.391
113 1H2* C 11 H2' C 11 -15.791 -7.392 -1.966
114 2HO* C 11 2HO C 11 -14.938 -9.144 -0.811
115 H1* C 11 H1' C 11 -13.081 -8.034 -1.692
116 1H4 C 11 1H4 C 11 -13.380 -1.448 -2.590
117 2H4 C 11 2H4 C 11 -13.339 -1.718 -0.860
118 H5 C 11 H5 C 11 -13.634 -3.303 -4.215
119 H6 C 11 H6 C 11 -13.778 -5.681 -4.446
120 1H5* G 12 1H5' G 12 -17.693 -9.810 -1.416
121 2H5* G 12 2H5' G 12 -19.437 -9.697 -1.720
122 H4* G 12 H4' G 12 -18.859 -9.012 0.585
123 H3* G 12 H3' G 12 -19.888 -6.784 -1.234
124 1H2* G 12 H2' G 12 -19.941 -5.403 0.704
125 2HO* G 12 2HO G 12 -19.785 -7.867 2.099
126 H1* G 12 H1' G 12 -17.588 -6.514 1.822
127 H8 G 12 H8 G 12 -17.305 -5.553 -1.899
128 H1 G 12 H1 G 12 -16.370 -0.679 2.177
129 1H2 G 12 1H2 G 12 -17.710 -2.863 4.569
130 2H2 G 12 2H2 G 12 -17.102 -1.256 4.231
131 H3T G 12 3HO' G 12 -21.115 -8.368 0.795
132 1H5* C 1 1H5' C 1 -15.853 6.712 7.408
133 2H5* C 1 2H5' C 1 -14.539 6.104 8.431
134 H4* C 1 H4' C 1 -16.453 4.505 8.277
135 H3* C 1 H3' C 1 -13.876 3.563 6.957
136 1H2* C 1 H2' C 1 -14.987 1.441 6.770
137 2HO* C 1 2HO C 1 -16.927 1.037 7.818
138 H1* C 1 H1' C 1 -17.447 2.615 6.077
139 1H4 C 1 1H4 C 1 -13.548 1.795 0.692
140 2H4 C 1 2H4 C 1 -14.642 0.430 0.726
141 H5 C 1 H5 C 1 -13.471 3.488 2.500
142 H6 C 1 H6 C 1 -14.443 4.152 4.598
143 H5T C 1 H5' C 1 -13.433 5.518 6.533
144 1H5* G 2 1H5' G 2 -15.028 0.442 9.864
145 2H5* G 2 2H5' G 2 -13.537 -0.247 10.532
146 H4* G 2 H4' G 2 -15.006 -1.953 9.451
147 H3* G 2 H3' G 2 -12.335 -1.455 8.075
148 1H2* G 2 H2' G 2 -12.884 -3.428 6.791
149 2HO* G 2 2HO G 2 -14.624 -4.725 7.334
150 H1* G 2 H1' G 2 -15.558 -2.685 6.493
151 H8 G 2 H8 G 2 -13.121 0.237 5.923
152 H1 G 2 H1 G 2 -13.763 -3.719 0.907
153 1H2 G 2 1H2 G 2 -15.061 -5.957 3.266
154 2H2 G 2 2H2 G 2 -14.524 -5.715 1.618
155 1H5* C 3 1H5' C 3 -12.584 -5.785 8.904
156 2H5* C 3 2H5' C 3 -10.949 -6.383 9.231
157 H4* C 3 H4' C 3 -12.073 -7.525 7.302
158 H3* C 3 H3' C 3 -9.594 -5.890 6.637
159 1H2* C 3 H2' C 3 -9.747 -6.987 4.467
160 2HO* C 3 2HO C 3 -11.231 -8.626 4.111
161 H1* C 3 H1' C 3 -12.514 -6.631 4.342
162 1H4 C 3 1H4 C 3 -9.485 -1.014 2.372
163 2H4 C 3 2H4 C 3 -9.816 -1.939 0.922
164 H5 C 3 H5 C 3 -9.876 -1.920 4.645
165 H6 C 3 H6 C 3 -10.718 -3.794 5.874
166 1H5* A 4 1H5' A 4 -8.934 -9.970 5.145
167 2H5* A 4 2H5' A 4 -7.218 -10.374 5.321
168 H4* A 4 H4' A 4 -8.074 -10.577 2.977
169 H3* A 4 H3' A 4 -5.941 -8.455 3.449
170 1H2* A 4 H2' A 4 -5.854 -8.355 1.009
171 2HO* A 4 2HO A 4 -6.163 -10.699 0.789
172 H1* A 4 H1' A 4 -8.611 -8.376 0.767
173 H8 A 4 H8 A 4 -7.667 -6.130 3.709
174 1H6 A 4 1H6 A 4 -6.976 -1.684 -0.544
175 2H6 A 4 2H6 A 4 -7.155 -2.035 1.165
176 H2 A 4 H2 A 4 -7.011 -5.627 -2.660
177 1H5* A 5 1H5' A 5 -4.412 -11.256 0.229
178 2H5* A 5 2H5' A 5 -2.649 -11.268 0.363
179 H4* A 5 H4' A 5 -3.577 -10.501 -1.876
180 H3* A 5 H3' A 5 -1.819 -8.596 -0.289
181 1H2* A 5 H2' A 5 -1.829 -7.232 -2.296
182 2HO* A 5 2HO A 5 -1.667 -8.961 -3.812
183 H1* A 5 H1' A 5 -4.550 -7.571 -2.725
184 H8 A 5 H8 A 5 -3.832 -7.083 1.008
185 1H6 A 5 1H6 A 5 -3.926 -1.017 -0.200
186 2H6 A 5 2H6 A 5 -3.899 -2.245 1.052
187 H2 A 5 H2 A 5 -3.792 -3.192 -4.107
188 1H5* A 6 1H5' A 6 2.281 -7.902 -3.565
189 2H5* A 6 2H5' A 6 1.430 -6.874 -2.390
190 H4* A 6 H4' A 6 0.725 -7.139 -5.351
191 H3* A 6 H3' A 6 2.135 -5.032 -3.692
192 1H2* A 6 H2' A 6 1.130 -3.329 -5.088
193 2HO* A 6 2HO A 6 -0.157 -3.951 -6.867
194 H1* A 6 H1' A 6 -1.384 -4.376 -4.918
195 H8 A 6 H8 A 6 -0.344 -5.385 -1.541
196 1H6 A 6 1H6 A 6 -1.175 0.500 0.182
197 2H6 A 6 2H6 A 6 -0.930 -1.147 0.731
198 H2 A 6 H2 A 6 -0.899 0.402 -4.281
199 1H5* U 7 1H5' U 7 2.575 -3.295 -7.385
200 2H5* U 7 2H5' U 7 4.283 -2.927 -7.690
201 H4* U 7 H4' U 7 2.866 -0.887 -7.789
202 H3* U 7 H3' U 7 4.858 -1.065 -5.495
203 1H2* U 7 H2' U 7 4.297 1.206 -5.002
204 2HO* U 7 2HO U 7 4.275 1.950 -7.175
205 H1* U 7 H1' U 7 1.566 0.857 -5.516
206 H3 U 7 H3 U 7 2.024 1.882 -1.078
207 H5 U 7 H5 U 7 2.727 -2.263 -1.336
208 H6 U 7 H6 U 7 2.790 -2.057 -3.719
209 1H5* U 8 1H5' U 8 8.260 2.615 -5.979
210 2H5* U 8 2H5' U 8 7.448 1.742 -4.660
211 H4* U 8 H4' U 8 6.510 4.393 -5.855
212 H3* U 8 H3' U 8 7.966 3.621 -3.306
213 1H2* U 8 H2' U 8 6.896 5.512 -2.259
214 2HO* U 8 2HO U 8 5.608 6.920 -3.481
215 H1* U 8 H1' U 8 4.408 4.898 -3.300
216 H3 U 8 H3 U 8 4.507 3.918 1.210
217 H5 U 8 H5 U 8 5.464 0.361 -0.825
218 H6 U 8 H6 U 8 5.724 1.624 -2.837
219 1H5* U 9 1H5' U 9 8.394 7.871 -3.533
220 2H5* U 9 2H5' U 9 10.045 8.339 -3.081
221 H4* U 9 H4' U 9 8.339 9.394 -1.623
222 H3* U 9 H3' U 9 10.100 7.317 -0.252
223 1H2* U 9 H2' U 9 9.114 8.194 1.809
224 2HO* U 9 2HO U 9 9.082 10.412 1.005
225 H1* U 9 H1' U 9 6.562 8.154 0.744
226 H3 U 9 H3 U 9 6.717 4.777 3.812
227 H5 U 9 H5 U 9 8.436 3.144 0.340
228 H6 U 9 H6 U 9 8.483 5.337 -0.609
229 1H5* G 10 1H5' G 10 10.591 10.944 2.171
230 2H5* G 10 2H5' G 10 12.278 10.997 2.707
231 H4* G 10 H4' G 10 10.620 10.982 4.583
232 H3* G 10 H3' G 10 12.468 8.569 4.381
233 1H2* G 10 H2' G 10 11.601 8.023 6.600
234 2HO* G 10 2HO G 10 11.565 10.297 7.263
235 H1* G 10 H1' G 10 8.988 8.595 5.879
236 H8 G 10 H8 G 10 10.614 6.753 2.963
237 H1 G 10 H1 G 10 8.815 2.942 7.807
238 1H2 G 10 1H2 G 10 8.879 5.894 9.696
239 2H2 G 10 2H2 G 10 8.711 4.152 9.712
240 1H5* C 11 1H5' C 11 13.081 10.217 8.491
241 2H5* C 11 2H5' C 11 14.796 9.988 8.868
242 H4* C 11 H4' C 11 13.252 8.866 10.483
243 H3* C 11 H3' C 11 15.062 7.068 8.825
244 1H2* C 11 H2' C 11 14.343 5.289 10.308
245 2HO* C 11 2HO C 11 13.136 7.349 11.850
246 H1* C 11 H1' C 11 11.680 6.141 10.272
247 1H4 C 11 1H4 C 11 12.759 2.484 4.795
248 2H4 C 11 2H4 C 11 12.113 1.398 6.008
249 H5 C 11 H5 C 11 13.370 4.832 5.312
250 H6 C 11 H6 C 11 13.388 6.504 7.024
251 1H5* G 12 1H5' G 12 15.842 5.995 12.986
252 2H5* G 12 2H5' G 12 17.590 5.747 13.165
253 H4* G 12 H4' G 12 16.308 3.746 13.852
254 H3* G 12 H3' G 12 17.979 3.404 11.314
255 1H2* G 12 H2' G 12 17.454 1.076 11.488
256 2HO* G 12 2HO G 12 17.789 1.261 13.875
257 H1* G 12 H1' G 12 14.799 1.539 12.343
258 H8 G 12 H8 G 12 15.863 3.718 9.353
259 H1 G 12 H1 G 12 13.936 -2.201 7.763
260 1H2 G 12 1H2 G 12 14.180 -2.839 11.199
261 2H2 G 12 2H2 G 12 13.849 -3.492 9.609
262 H3T G 12 3HO' G 12 19.089 3.924 13.296
Start of MODEL 12
1 1H5* C 1 1H5' C 1 11.349 -10.681 5.589
2 2H5* C 1 2H5' C 1 9.791 -10.623 6.437
3 H4* C 1 H4' C 1 11.686 -10.039 7.940
4 H3* C 1 H3' C 1 9.809 -7.731 7.283
5 1H2* C 1 H2' C 1 11.011 -6.542 9.006
6 2HO* C 1 2HO C 1 11.114 -8.387 10.442
7 H1* C 1 H1' C 1 13.497 -7.559 8.203
8 1H4 C 1 1H4 C 1 11.884 -2.186 4.549
9 2H4 C 1 2H4 C 1 12.942 -1.617 5.822
10 H5 C 1 H5 C 1 11.071 -4.521 4.433
11 H6 C 1 H6 C 1 11.173 -6.680 5.487
12 H5T C 1 H5' C 1 9.728 -9.601 4.394
13 1H5* G 2 1H5' G 2 9.700 -7.977 11.773
14 2H5* G 2 2H5' G 2 8.051 -7.505 12.218
15 H4* G 2 H4' G 2 9.834 -6.064 13.230
16 H3* G 2 H3' G 2 7.942 -4.692 11.276
17 1H2* G 2 H2' G 2 8.947 -2.641 12.134
18 2HO* G 2 2HO G 2 9.044 -3.459 14.349
19 H1* G 2 H1' G 2 11.515 -3.703 12.058
20 H8 G 2 H8 G 2 9.537 -4.683 8.917
21 H1 G 2 H1 G 2 11.893 1.286 8.803
22 1H2 G 2 1H2 G 2 12.103 0.906 12.281
23 2H2 G 2 2H2 G 2 12.242 1.994 10.916
24 1H5* C 3 1H5' C 3 7.622 -2.320 15.060
25 2H5* C 3 2H5' C 3 5.950 -1.744 15.135
26 H4* C 3 H4' C 3 7.671 0.091 15.115
27 H3* C 3 H3' C 3 5.762 -0.030 12.748
28 1H2* C 3 H2' C 3 6.664 2.167 12.210
29 2HO* C 3 2HO C 3 8.068 3.206 13.626
30 H1* C 3 H1' C 3 9.285 1.360 12.765
31 1H4 C 3 1H4 C 3 7.618 -0.513 6.572
32 2H4 C 3 2H4 C 3 8.402 1.046 6.424
33 H5 C 3 H5 C 3 7.078 -1.530 8.765
34 H6 C 3 H6 C 3 7.272 -1.260 11.138
35 1H5* A 4 1H5' A 4 5.422 4.003 14.430
36 2H5* A 4 2H5' A 4 3.729 4.519 14.313
37 H4* A 4 H4' A 4 5.318 6.074 13.169
38 H3* A 4 H3' A 4 3.356 4.604 11.363
39 1H2* A 4 H2' A 4 4.120 6.138 9.652
40 2HO* A 4 2HO A 4 5.456 7.865 10.157
41 H1* A 4 H1' A 4 6.792 5.900 10.418
42 H8 A 4 H8 A 4 5.138 2.455 10.406
43 1H6 A 4 1H6 A 4 6.340 2.423 4.329
44 2H6 A 4 2H6 A 4 5.876 1.453 5.713
45 H2 A 4 H2 A 4 6.802 6.618 5.808
46 1H5* A 5 1H5' A 5 2.992 8.957 10.673
47 2H5* A 5 2H5' A 5 1.311 9.345 10.284
48 H4* A 5 H4' A 5 2.976 10.046 8.521
49 H3* A 5 H3' A 5 0.869 7.994 7.747
50 1H2* A 5 H2' A 5 1.634 8.329 5.489
51 2HO* A 5 2HO A 5 3.017 10.000 4.955
52 H1* A 5 H1' A 5 4.336 8.401 6.222
53 H8 A 5 H8 A 5 2.476 5.575 8.012
54 1H6 A 5 1H6 A 5 3.519 2.238 2.900
55 2H6 A 5 2H6 A 5 2.963 2.198 4.563
56 H2 A 5 H2 A 5 4.506 6.494 1.983
57 1H5* A 6 1H5' A 6 -1.738 10.491 3.901
58 2H5* A 6 2H5' A 6 -1.198 8.821 4.189
59 H4* A 6 H4' A 6 0.412 10.957 2.718
60 H3* A 6 H3' A 6 -1.253 8.595 1.796
61 1H2* A 6 H2' A 6 0.325 8.333 -0.044
62 2HO* A 6 2HO A 6 0.662 10.687 -0.224
63 H1* A 6 H1' A 6 2.505 8.411 1.585
64 H8 A 6 H8 A 6 0.263 6.841 4.047
65 1H6 A 6 1H6 A 6 1.030 1.524 0.985
66 2H6 A 6 2H6 A 6 0.450 2.277 2.457
67 H2 A 6 H2 A 6 2.330 4.856 -1.707
68 1H5* U 7 1H5' U 7 -0.360 10.217 -1.894
69 2H5* U 7 2H5' U 7 -1.853 10.459 -2.820
70 H4* U 7 H4' U 7 -0.243 8.960 -3.990
71 H3* U 7 H3' U 7 -2.848 7.706 -3.037
72 1H2* U 7 H2' U 7 -2.201 5.772 -4.300
73 2HO* U 7 2HO U 7 -1.403 6.897 -6.134
74 H1* U 7 H1' U 7 0.483 5.927 -3.516
75 H3 U 7 H3 U 7 -1.366 2.084 -1.808
76 H5 U 7 H5 U 7 -2.337 5.113 0.949
77 H6 U 7 H6 U 7 -1.554 6.736 -0.626
78 1H5* U 8 1H5' U 8 -5.401 6.209 -7.204
79 2H5* U 8 2H5' U 8 -5.216 5.630 -5.533
80 H4* U 8 H4' U 8 -3.539 4.730 -7.923
81 H3* U 8 H3' U 8 -5.809 3.477 -6.341
82 1H2* U 8 H2' U 8 -4.810 1.323 -6.866
83 2HO* U 8 2HO U 8 -4.089 2.037 -9.004
84 H1* U 8 H1' U 8 -2.304 2.134 -6.084
85 H3 U 8 H3 U 8 -4.173 -0.484 -2.772
86 H5 U 8 H5 U 8 -4.829 3.527 -1.685
87 H6 U 8 H6 U 8 -4.181 4.190 -3.884
88 1H5* U 9 1H5' U 9 -5.558 0.904 -9.749
89 2H5* U 9 2H5' U 9 -7.198 0.587 -10.344
90 H4* U 9 H4' U 9 -5.991 -1.496 -9.725
91 H3* U 9 H3' U 9 -8.376 -0.777 -7.971
92 1H2* U 9 H2' U 9 -8.110 -3.027 -7.086
93 2HO* U 9 2HO U 9 -6.604 -4.435 -7.971
94 H1* U 9 H1' U 9 -5.359 -2.748 -6.849
95 H3 U 9 H3 U 9 -7.243 -2.839 -2.661
96 H5 U 9 H5 U 9 -7.438 1.182 -3.888
97 H6 U 9 H6 U 9 -6.817 0.492 -6.092
98 1H5* G 10 1H5' G 10 -8.960 -4.804 -9.574
99 2H5* G 10 2H5' G 10 -10.678 -5.078 -9.914
100 H4* G 10 H4' G 10 -9.665 -6.758 -8.348
101 H3* G 10 H3' G 10 -11.873 -4.989 -7.221
102 1H2* G 10 H2' G 10 -11.820 -6.534 -5.328
103 2HO* G 10 2HO G 10 -11.456 -8.411 -6.728
104 H1* G 10 H1' G 10 -9.054 -6.552 -5.231
105 H8 G 10 H8 G 10 -10.176 -2.969 -5.928
106 H1 G 10 H1 G 10 -10.714 -4.746 0.214
107 1H2 G 10 1H2 G 10 -10.699 -8.003 -1.087
108 2H2 G 10 2H2 G 10 -10.925 -6.994 0.326
109 1H5* C 11 1H5' C 11 -13.237 -9.185 -6.529
110 2H5* C 11 2H5' C 11 -14.994 -9.183 -6.743
111 H4* C 11 H4' C 11 -14.256 -9.953 -4.476
112 H3* C 11 H3' C 11 -15.878 -7.378 -4.586
113 1H2* C 11 H2' C 11 -16.024 -7.645 -2.157
114 2HO* C 11 2HO C 11 -16.235 -9.987 -2.301
115 H1* C 11 H1' C 11 -13.324 -8.301 -1.950
116 1H4 C 11 1H4 C 11 -13.593 -1.667 -2.459
117 2H4 C 11 2H4 C 11 -13.581 -2.039 -0.748
118 H5 C 11 H5 C 11 -13.810 -3.422 -4.196
119 H6 C 11 H6 C 11 -13.951 -5.781 -4.566
120 1H5* G 12 1H5' G 12 -18.167 -9.986 -1.832
121 2H5* G 12 2H5' G 12 -19.878 -9.704 -2.203
122 H4* G 12 H4' G 12 -19.336 -9.226 0.172
123 H3* G 12 H3' G 12 -20.146 -6.811 -1.517
124 1H2* G 12 H2' G 12 -20.228 -5.612 0.558
125 2HO* G 12 2HO G 12 -21.263 -7.475 1.606
126 H1* G 12 H1' G 12 -17.926 -6.863 1.596
127 H8 G 12 H8 G 12 -17.501 -5.773 -2.067
128 H1 G 12 H1 G 12 -16.694 -1.033 2.190
129 1H2 G 12 1H2 G 12 -18.095 -3.291 4.472
130 2H2 G 12 2H2 G 12 -17.487 -1.672 4.201
131 H3T G 12 3HO' G 12 -21.534 -8.528 0.297
132 1H5* C 1 1H5' C 1 -15.972 5.969 7.914
133 2H5* C 1 2H5' C 1 -14.813 5.182 9.002
134 H4* C 1 H4' C 1 -16.827 3.773 8.609
135 H3* C 1 H3' C 1 -14.247 2.696 7.397
136 1H2* C 1 H2' C 1 -15.525 0.681 7.005
137 2HO* C 1 2HO C 1 -16.605 0.758 9.073
138 H1* C 1 H1' C 1 -17.822 2.111 6.240
139 1H4 C 1 1H4 C 1 -13.729 1.357 0.995
140 2H4 C 1 2H4 C 1 -14.941 0.102 0.866
141 H5 C 1 H5 C 1 -13.587 2.879 2.949
142 H6 C 1 H6 C 1 -14.602 3.457 5.050
143 H5T C 1 H5' C 1 -14.678 5.288 6.169
144 1H5* G 2 1H5' G 2 -15.606 -0.629 10.097
145 2H5* G 2 2H5' G 2 -14.108 -1.344 10.717
146 H4* G 2 H4' G 2 -15.549 -2.972 9.483
147 H3* G 2 H3' G 2 -12.859 -2.339 8.199
148 1H2* G 2 H2' G 2 -13.368 -4.222 6.765
149 2HO* G 2 2HO G 2 -15.106 -5.566 7.181
150 H1* G 2 H1' G 2 -16.041 -3.479 6.477
151 H8 G 2 H8 G 2 -13.640 -0.495 6.156
152 H1 G 2 H1 G 2 -14.076 -4.135 0.885
153 1H2 G 2 1H2 G 2 -15.439 -6.522 3.057
154 2H2 G 2 2H2 G 2 -14.853 -6.176 1.444
155 1H5* C 3 1H5' C 3 -13.055 -6.715 8.701
156 2H5* C 3 2H5' C 3 -11.420 -7.313 9.024
157 H4* C 3 H4' C 3 -12.479 -8.328 6.998
158 H3* C 3 H3' C 3 -10.013 -6.613 6.495
159 1H2* C 3 H2' C 3 -10.111 -7.576 4.247
160 2HO* C 3 2HO C 3 -10.760 -9.692 5.021
161 H1* C 3 H1' C 3 -12.870 -7.221 4.087
162 1H4 C 3 1H4 C 3 -9.890 -1.416 2.661
163 2H4 C 3 2H4 C 3 -10.168 -2.229 1.134
164 H5 C 3 H5 C 3 -10.334 -2.508 4.845
165 H6 C 3 H6 C 3 -11.172 -4.487 5.894
166 1H5* A 4 1H5' A 4 -9.024 -10.613 4.741
167 2H5* A 4 2H5' A 4 -7.283 -10.833 4.983
168 H4* A 4 H4' A 4 -8.009 -10.939 2.582
169 H3* A 4 H3' A 4 -6.145 -8.654 3.336
170 1H2* A 4 H2' A 4 -5.947 -8.346 0.934
171 2HO* A 4 2HO A 4 -6.830 -9.817 -0.498
172 H1* A 4 H1' A 4 -8.677 -8.666 0.520
173 H8 A 4 H8 A 4 -8.067 -6.521 3.628
174 1H6 A 4 1H6 A 4 -7.279 -1.798 -0.305
175 2H6 A 4 2H6 A 4 -7.521 -2.260 1.370
176 H2 A 4 H2 A 4 -7.181 -5.596 -2.668
177 1H5* A 5 1H5' A 5 -4.378 -11.037 0.027
178 2H5* A 5 2H5' A 5 -2.613 -10.977 0.128
179 H4* A 5 H4' A 5 -3.592 -10.160 -2.056
180 H3* A 5 H3' A 5 -1.980 -8.174 -0.411
181 1H2* A 5 H2' A 5 -2.094 -6.795 -2.415
182 2HO* A 5 2HO A 5 -2.994 -7.591 -4.310
183 H1* A 5 H1' A 5 -4.792 -7.271 -2.774
184 H8 A 5 H8 A 5 -4.099 -6.848 0.959
185 1H6 A 5 1H6 A 5 -4.176 -0.755 -0.120
186 2H6 A 5 2H6 A 5 -4.196 -2.008 1.107
187 H2 A 5 H2 A 5 -3.946 -2.846 -4.065
188 1H5* A 6 1H5' A 6 -0.349 -8.444 -4.491
189 2H5* A 6 2H5' A 6 1.398 -8.167 -4.484
190 H4* A 6 H4' A 6 0.025 -6.592 -5.942
191 H3* A 6 H3' A 6 1.723 -5.411 -3.714
192 1H2* A 6 H2' A 6 1.217 -3.271 -4.770
193 2HO* A 6 2HO A 6 0.074 -3.206 -6.714
194 H1* A 6 H1' A 6 -1.467 -3.895 -5.079
195 H8 A 6 H8 A 6 -0.543 -5.169 -1.640
196 1H6 A 6 1H6 A 6 -1.241 0.701 0.228
197 2H6 A 6 2H6 A 6 -1.100 -0.970 0.742
198 H2 A 6 H2 A 6 -0.840 0.702 -4.224
199 1H5* U 7 1H5' U 7 2.703 -3.368 -7.436
200 2H5* U 7 2H5' U 7 4.447 -3.088 -7.517
201 H4* U 7 H4' U 7 3.072 -0.991 -7.741
202 H3* U 7 H3' U 7 4.941 -1.240 -5.353
203 1H2* U 7 H2' U 7 4.464 1.086 -4.951
204 2HO* U 7 2HO U 7 4.576 1.755 -7.148
205 H1* U 7 H1' U 7 1.745 0.824 -5.602
206 H3 U 7 H3 U 7 2.018 2.038 -1.186
207 H5 U 7 H5 U 7 2.718 -2.115 -1.227
208 H6 U 7 H6 U 7 2.890 -2.017 -3.614
209 1H5* U 8 1H5' U 8 8.517 2.349 -5.852
210 2H5* U 8 2H5' U 8 7.618 1.604 -4.511
211 H4* U 8 H4' U 8 6.832 4.174 -5.957
212 H3* U 8 H3' U 8 8.174 3.577 -3.305
213 1H2* U 8 H2' U 8 7.098 5.543 -2.408
214 2HO* U 8 2HO U 8 6.232 6.016 -5.075
215 H1* U 8 H1' U 8 4.633 4.903 -3.448
216 H3 U 8 H3 U 8 4.642 4.056 1.087
217 H5 U 8 H5 U 8 5.473 0.412 -0.845
218 H6 U 8 H6 U 8 5.839 1.614 -2.875
219 1H5* U 9 1H5' U 9 8.697 7.757 -3.673
220 2H5* U 9 2H5' U 9 10.365 8.200 -3.260
221 H4* U 9 H4' U 9 8.731 9.338 -1.798
222 H3* U 9 H3' U 9 10.416 7.215 -0.402
223 1H2* U 9 H2' U 9 9.488 8.159 1.648
224 2HO* U 9 2HO U 9 9.546 10.365 0.814
225 H1* U 9 H1' U 9 6.923 8.221 0.603
226 H3 U 9 H3 U 9 6.962 4.890 3.728
227 H5 U 9 H5 U 9 8.502 3.115 0.241
228 H6 U 9 H6 U 9 8.657 5.290 -0.739
229 1H5* G 10 1H5' G 10 11.092 10.852 1.955
230 2H5* G 10 2H5' G 10 12.791 10.844 2.459
231 H4* G 10 H4' G 10 11.170 10.907 4.373
232 H3* G 10 H3' G 10 12.915 8.422 4.138
233 1H2* G 10 H2' G 10 12.074 7.894 6.354
234 2HO* G 10 2HO G 10 10.834 9.381 7.495
235 H1* G 10 H1' G 10 9.474 8.630 5.718
236 H8 G 10 H8 G 10 10.907 6.634 2.801
237 H1 G 10 H1 G 10 9.060 3.046 7.798
238 1H2 G 10 1H2 G 10 9.272 6.053 9.588
239 2H2 G 10 2H2 G 10 9.022 4.323 9.662
240 1H5* C 11 1H5' C 11 13.499 10.111 8.170
241 2H5* C 11 2H5' C 11 15.196 9.892 8.633
242 H4* C 11 H4' C 11 13.605 8.850 10.251
243 H3* C 11 H3' C 11 15.392 6.930 8.702
244 1H2* C 11 H2' C 11 14.589 5.257 10.273
245 2HO* C 11 2HO C 11 13.286 5.874 12.019
246 H1* C 11 H1' C 11 11.958 6.193 10.120
247 1H4 C 11 1H4 C 11 12.932 2.230 4.858
248 2H4 C 11 2H4 C 11 12.232 1.234 6.120
249 H5 C 11 H5 C 11 13.666 4.564 5.269
250 H6 C 11 H6 C 11 13.756 6.314 6.901
251 1H5* G 12 1H5' G 12 16.035 5.994 12.918
252 2H5* G 12 2H5' G 12 17.767 5.688 13.143
253 H4* G 12 H4' G 12 16.402 3.766 13.885
254 H3* G 12 H3' G 12 18.111 3.263 11.401
255 1H2* G 12 H2' G 12 17.503 0.964 11.656
256 2HO* G 12 2HO G 12 17.797 1.230 14.036
257 H1* G 12 H1' G 12 14.848 1.545 12.428
258 H8 G 12 H8 G 12 16.038 3.582 9.387
259 H1 G 12 H1 G 12 13.972 -2.331 7.959
260 1H2 G 12 1H2 G 12 14.151 -2.871 11.414
261 2H2 G 12 2H2 G 12 13.832 -3.563 9.839
262 H3T G 12 3HO' G 12 19.427 2.288 13.054
No H/Q in entry = 262