NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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13370 |
1ull   |
cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H4* G 1 H4* G 1 7.198 -10.806 4.968
2 H3* G 1 H3* G 1 7.029 -7.832 5.871
3 1H2* G 1 1H2* G 1 9.115 -7.341 5.001
4 2HO* G 1 2HO* G 1 9.492 -9.585 6.005
5 H1* G 1 H1* G 1 9.147 -9.225 2.817
6 H8 G 1 H8 G 1 6.312 -6.797 3.516
7 H1 G 1 H1 G 1 10.235 -4.715 -1.167
8 1H2 G 1 1H2 G 1 11.901 -6.141 -1.402
9 2H2 G 1 2H2 G 1 12.065 -7.573 -0.380
10 1H5* G 2 1H5* G 2 10.515 -8.616 7.963
11 2H5* G 2 2H5* G 2 10.597 -8.840 9.742
12 H4* G 2 H4* G 2 11.234 -6.595 10.107
13 H3* G 2 H3* G 2 9.630 -5.958 7.635
14 1H2* G 2 1H2* G 2 10.866 -4.191 6.987
15 2HO* G 2 2HO* G 2 10.998 -2.872 8.824
16 H1* G 2 H1* G 2 13.228 -4.972 7.796
17 H8 G 2 H8 G 2 11.289 -7.703 5.885
18 H1 G 2 H1 G 2 14.201 -3.401 2.166
19 1H2 G 2 1H2 G 2 15.087 -1.903 3.242
20 2H2 G 2 2H2 G 2 14.930 -1.716 4.998
21 1H5* C 3 1H5* C 3 9.407 -2.664 10.785
22 2H5* C 3 2H5* C 3 7.894 -1.775 11.148
23 H4* C 3 H4* C 3 9.534 -0.124 10.415
24 H3* C 3 H3* C 3 7.593 -0.851 8.173
25 1H2* C 3 1H2* C 3 8.369 0.731 6.819
26 2HO* C 3 2HO* C 3 8.721 2.626 7.710
27 H1* C 3 H1* C 3 11.004 0.383 7.387
28 1H4 C 3 1H4 C 3 9.303 -2.396 1.889
29 2H4 C 3 2H4 C 3 8.697 -3.893 2.530
30 H5 C 3 H5 C 3 8.784 -4.142 5.179
31 H6 C 3 H6 C 3 9.360 -2.919 7.239
32 1H5* U 4 1H5* U 4 7.400 3.498 9.203
33 2H5* U 4 2H5* U 4 5.726 4.159 9.229
34 H4* U 4 H4* U 4 7.144 5.623 7.847
35 H3* U 4 H3* U 4 5.337 3.761 6.154
36 1H2* U 4 1H2* U 4 6.051 5.077 4.196
37 2HO* U 4 2HO* U 4 6.006 7.013 5.248
38 H1* U 4 H1* U 4 8.484 5.109 4.789
39 H3 U 4 H3 U 4 7.938 2.187 1.333
40 H5 U 4 H5 U 4 6.976 -0.119 4.762
41 H6 U 4 H6 U 4 7.192 1.936 6.043
42 1H5* G 5 1H5* G 5 5.494 8.874 4.975
43 2H5* G 5 2H5* G 5 3.860 9.295 4.666
44 H4* G 5 H4* G 5 5.635 9.241 2.605
45 H3* G 5 H3* G 5 2.837 9.267 2.863
46 1H2* G 5 1H2* G 5 2.853 6.903 2.930
47 2HO* G 5 2HO* G 5 1.772 6.434 0.909
48 H1* G 5 H1* G 5 4.278 6.922 0.353
49 H8 G 5 H8 G 5 4.204 5.238 3.639
50 H1 G 5 H1 G 5 4.668 1.060 -1.354
51 1H2 G 5 1H2 G 5 4.739 2.079 -3.145
52 2H2 G 5 2H2 G 5 4.829 3.828 -3.288
53 1H5* G 6 1H5* G 6 5.418 12.070 -2.096
54 2H5* G 6 2H5* G 6 3.764 12.735 -1.889
55 H4* G 6 H4* G 6 4.446 11.193 -4.015
56 H3* G 6 H3* G 6 1.923 10.637 -2.347
57 1H2* G 6 1H2* G 6 1.214 9.374 -4.117
58 2HO* G 6 2HO* G 6 1.806 10.621 -5.794
59 H1* G 6 H1* G 6 3.803 8.277 -4.538
60 H8 G 6 H8 G 6 2.652 8.062 -0.868
61 H1 G 6 H1 G 6 1.692 2.751 -4.313
62 1H2 G 6 1H2 G 6 2.882 4.736 -6.969
63 2H2 G 6 2H2 G 6 2.379 3.144 -6.511
64 1H5* A 7 1H5* A 7 -1.350 11.762 -7.046
65 2H5* A 7 2H5* A 7 -1.560 10.684 -5.641
66 H4* A 7 H4* A 7 0.322 10.057 -8.028
67 H3* A 7 H3* A 7 -2.462 9.112 -7.146
68 1H2* A 7 1H2* A 7 -2.192 7.122 -8.016
69 2HO* A 7 2HO* A 7 -1.161 8.063 -10.159
70 H1* A 7 H1* A 7 0.745 7.195 -7.735
71 H8 A 7 H8 A 7 -0.380 7.290 -4.327
72 1H6 A 7 1H6 A 7 -1.644 1.444 -3.978
73 2H6 A 7 2H6 A 7 -1.590 3.014 -3.183
74 H2 A 7 H2 A 7 -1.268 2.262 -8.338
75 1H5* C 8 1H5* C 8 -5.502 8.695 -9.563
76 2H5* C 8 2H5* C 8 -4.029 8.356 -8.666
77 H4* C 8 H4* C 8 -4.075 6.680 -11.161
78 H3* C 8 H3* C 8 -6.334 6.619 -9.086
79 1H2* C 8 1H2* C 8 -6.509 4.248 -9.304
80 2HO* C 8 2HO* C 8 -6.589 3.612 -11.155
81 H1* C 8 H1* C 8 -4.013 3.823 -9.594
82 1H4 C 8 1H4 C 8 -4.956 2.014 -3.572
83 2H4 C 8 2H4 C 8 -4.852 3.649 -2.926
84 H5 C 8 H5 C 8 -4.580 5.547 -4.416
85 H6 C 8 H6 C 8 -4.434 6.291 -6.784
86 1H5* U 9 1H5* U 9 -7.556 4.201 -12.852
87 2H5* U 9 2H5* U 9 -9.140 4.438 -13.614
88 H4* U 9 H4* U 9 -9.633 2.575 -12.278
89 H3* U 9 H3* U 9 -10.330 4.921 -10.460
90 1H2* U 9 1H2* U 9 -10.974 3.405 -8.986
91 2HO* U 9 2HO* U 9 -12.301 2.191 -10.402
92 H1* U 9 H1* U 9 -9.283 1.284 -9.617
93 H3 U 9 H3 U 9 -8.748 1.850 -5.068
94 H5 U 9 H5 U 9 -7.853 5.638 -6.822
95 H6 U 9 H6 U 9 -8.294 4.710 -8.886
96 1H5* C 10 1H5* C 10 -15.564 3.501 -9.652
97 2H5* C 10 2H5* C 10 -14.162 4.325 -8.912
98 H4* C 10 H4* C 10 -14.531 1.243 -8.975
99 H3* C 10 H3* C 10 -15.022 3.376 -6.798
100 1H2* C 10 1H2* C 10 -14.344 1.671 -5.126
101 2HO* C 10 2HO* C 10 -15.525 0.205 -6.762
102 H1* C 10 H1* C 10 -12.303 0.740 -6.534
103 1H4 C 10 1H4 C 10 -10.363 5.027 -2.238
104 2H4 C 10 2H4 C 10 -9.943 6.323 -3.373
105 H5 C 10 H5 C 10 -10.714 5.835 -5.856
106 H6 C 10 H6 C 10 -11.783 4.075 -7.342
107 1H5* G 11 1H5* G 11 -17.852 -0.422 -5.435
108 2H5* G 11 2H5* G 11 -19.583 -0.168 -5.051
109 H4* G 11 H4* G 11 -18.210 -0.120 -3.017
110 H3* G 11 H3* G 11 -19.030 2.712 -3.568
111 1H2* G 11 1H2* G 11 -18.162 3.080 -1.311
112 2HO* G 11 2HO* G 11 -19.030 0.641 -0.768
113 H1* G 11 H1* G 11 -16.116 1.227 -1.728
114 H8 G 11 H8 G 11 -15.384 3.231 -4.712
115 H1 G 11 H1 G 11 -13.235 6.108 0.634
116 1H2 G 11 1H2 G 11 -14.106 5.360 2.322
117 2H2 G 11 2H2 G 11 -15.256 4.058 2.413
118 1H5* U 12 1H5* U 12 -22.484 3.699 -0.293
119 2H5* U 12 2H5* U 12 -21.114 3.793 -1.442
120 H4* U 12 H4* U 12 -20.715 3.870 1.682
121 H3* U 12 H3* U 12 -21.134 5.993 -0.434
122 1H2* U 12 1H2* U 12 -19.660 7.290 0.299
123 2HO* U 12 2HO* U 12 -20.308 7.674 2.412
124 H1* U 12 H1* U 12 -17.968 5.400 1.652
125 H3 U 12 H3 U 12 -15.459 8.432 -0.718
126 H5 U 12 H5 U 12 -17.166 6.027 -3.772
127 H6 U 12 H6 U 12 -18.419 4.880 -1.992
128 1H5* A 13 1H5* A 13 -21.951 8.285 3.822
129 2H5* A 13 2H5* A 13 -23.168 9.506 3.363
130 H4* A 13 H4* A 13 -21.114 10.449 4.451
131 H3* A 13 H3* A 13 -21.473 11.306 1.556
132 1H2* A 13 1H2* A 13 -19.650 12.845 1.855
133 2HO* A 13 2HO* A 13 -19.501 13.887 3.438
134 H1* A 13 H1* A 13 -18.103 11.241 3.122
135 H8 A 13 H8 A 13 -19.706 9.192 0.482
136 1H6 A 13 1H6 A 13 -15.615 11.520 -3.466
137 2H6 A 13 2H6 A 13 -16.836 10.288 -3.141
138 H2 A 13 H2 A 13 -15.223 13.846 0.443
139 1H5* C 14 1H5* C 14 -21.541 15.041 3.851
140 2H5* C 14 2H5* C 14 -22.442 16.427 3.140
141 H4* C 14 H4* C 14 -19.962 16.895 3.076
142 H3* C 14 H3* C 14 -21.067 16.318 0.465
143 1H2* C 14 1H2* C 14 -18.791 17.449 -0.269
144 2HO* C 14 2HO* C 14 -18.763 18.615 1.944
145 H1* C 14 H1* C 14 -17.604 15.657 1.041
146 1H4 C 14 1H4 C 14 -18.325 13.295 -4.640
147 2H4 C 14 2H4 C 14 -19.702 12.354 -4.650
148 H5 C 14 H5 C 14 -20.726 12.262 -1.720
149 H6 C 14 H6 C 14 -20.456 13.582 0.335
150 1H5* U 15 1H5* U 15 -18.605 21.005 0.247
151 2H5* U 15 2H5* U 15 -19.811 22.067 -0.542
152 H4* U 15 H4* U 15 -17.951 21.355 -2.037
153 H3* U 15 H3* U 15 -20.654 20.077 -2.748
154 1H2* U 15 1H2* U 15 -19.788 19.540 -4.764
155 2HO* U 15 2HO* U 15 -17.499 20.020 -5.178
156 H1* U 15 H1* U 15 -17.715 18.433 -3.811
157 H3 U 15 H3 U 15 -20.583 15.099 -5.101
158 H5 U 15 H5 U 15 -21.909 16.277 -1.244
159 H6 U 15 H6 U 15 -20.223 18.107 -1.405
160 1H5* U 16 1H5* U 16 -22.035 23.051 -7.167
161 2H5* U 16 2H5* U 16 -21.571 21.427 -7.761
162 H4* U 16 H4* U 16 -20.736 23.290 -9.126
163 H3* U 16 H3* U 16 -18.976 21.178 -8.710
164 1H2* U 16 1H2* U 16 -18.308 22.023 -6.553
165 2HO* U 16 2HO* U 16 -16.485 21.360 -7.693
166 H1* U 16 H1* U 16 -17.719 24.478 -8.174
167 H3 U 16 H3 U 16 -16.414 27.418 -4.865
168 H5 U 16 H5 U 16 -17.936 24.020 -2.773
169 H6 U 16 H6 U 16 -18.588 23.141 -4.973
170 1H5* C 17 1H5* C 17 -17.192 20.567 -10.839
171 2H5* C 17 2H5* C 17 -17.424 20.345 -12.600
172 H4* C 17 H4* C 17 -17.797 18.261 -11.621
173 H3* C 17 H3* C 17 -20.142 19.616 -12.742
174 1H2* C 17 1H2* C 17 -21.368 19.437 -10.647
175 2HO* C 17 2HO* C 17 -21.434 17.244 -12.394
176 H1* C 17 H1* C 17 -19.862 16.931 -10.346
177 1H4 C 17 1H4 C 17 -22.602 19.063 -4.648
178 2H4 C 17 2H4 C 17 -23.337 17.457 -4.670
179 H5 C 17 H5 C 17 -20.985 19.903 -6.241
180 H6 C 17 H6 C 17 -20.139 19.733 -8.348
181 1H5* G 18 1H5* G 18 -15.321 15.240 -13.125
182 2H5* G 18 2H5* G 18 -15.982 15.777 -11.559
183 H4* G 18 H4* G 18 -14.582 17.414 -13.725
184 H3* G 18 H3* G 18 -13.089 16.835 -11.295
185 1H2* G 18 1H2* G 18 -12.407 18.850 -10.889
186 2HO* G 18 2HO* G 18 -11.574 19.347 -12.878
187 H1* G 18 H1* G 18 -14.669 20.317 -11.808
188 H8 G 18 H8 G 18 -13.775 20.815 -9.371
189 H1 G 18 H1 G 18 -18.152 16.771 -6.915
190 1H2 G 18 1H2 G 18 -18.331 15.418 -10.078
191 2H2 G 18 2H2 G 18 -18.823 15.348 -8.396
192 1H5* G 19 1H5* G 19 -10.116 14.614 -10.527
193 2H5* G 19 2H5* G 19 -11.800 15.019 -10.963
194 H4* G 19 H4* G 19 -10.100 17.163 -9.544
195 H3* G 19 H3* G 19 -11.300 14.676 -8.197
196 1H2* G 19 1H2* G 19 -11.839 16.156 -6.278
197 2HO* G 19 2HO* G 19 -10.137 17.287 -5.883
198 H1* G 19 H1* G 19 -12.705 18.129 -7.585
199 H8 G 19 H8 G 19 -14.219 15.311 -9.663
200 H1 G 19 H1 G 19 -17.044 15.403 -3.877
201 1H2 G 19 1H2 G 19 -16.060 16.816 -2.475
202 2H2 G 19 2H2 G 19 -14.689 17.843 -2.997
203 1H5* U 20 1H5* U 20 -7.719 16.482 -6.031
204 2H5* U 20 2H5* U 20 -6.740 15.488 -4.922
205 H4* U 20 H4* U 20 -7.996 17.324 -3.769
206 H3* U 20 H3* U 20 -8.755 14.453 -2.984
207 1H2* U 20 1H2* U 20 -10.141 15.405 -1.200
208 2HO* U 20 2HO* U 20 -8.368 17.175 -1.297
209 H1* U 20 H1* U 20 -11.330 17.213 -2.825
210 H3 U 20 H3 U 20 -14.413 13.619 -2.407
211 H5 U 20 H5 U 20 -12.469 13.134 -6.097
212 H6 U 20 H6 U 20 -10.858 14.841 -5.374
213 1H5* A 21 1H5* A 21 -8.468 16.345 1.134
214 2H5* A 21 2H5* A 21 -7.366 15.366 2.143
215 H4* A 21 H4* A 21 -9.660 15.433 3.099
216 H3* A 21 H3* A 21 -8.922 12.687 1.981
217 1H2* A 21 1H2* A 21 -10.851 11.840 2.800
218 2HO* A 21 2HO* A 21 -10.494 12.761 4.839
219 H1* A 21 H1* A 21 -12.486 14.004 2.385
220 H8 A 21 H8 A 21 -10.587 13.528 -0.750
221 1H6 A 21 1H6 A 21 -14.115 8.859 -2.489
222 2H6 A 21 2H6 A 21 -12.903 10.063 -2.881
223 H2 A 21 H2 A 21 -15.030 9.726 1.989
224 1H5* C 22 1H5* C 22 -10.543 11.692 6.305
225 2H5* C 22 2H5* C 22 -9.242 10.791 7.115
226 H4* C 22 H4* C 22 -11.360 9.619 7.468
227 H3* C 22 H3* C 22 -9.602 8.220 5.438
228 1H2* C 22 1H2* C 22 -11.230 6.521 4.930
229 2HO* C 22 2HO* C 22 -12.587 7.358 7.205
230 H1* C 22 H1* C 22 -13.439 8.199 4.765
231 1H4 C 22 1H4 C 22 -11.384 7.806 -1.073
232 2H4 C 22 2H4 C 22 -10.276 9.172 -0.919
233 H5 C 22 H5 C 22 -10.209 10.391 1.213
234 H6 C 22 H6 C 22 -10.933 10.272 3.675
235 1H5* U 23 1H5* U 23 -6.789 5.766 5.286
236 2H5* U 23 2H5* U 23 -8.539 6.138 5.386
237 H4* U 23 H4* U 23 -8.800 4.257 7.070
238 H3* U 23 H3* U 23 -5.890 4.013 6.795
239 1H2* U 23 1H2* U 23 -5.758 3.166 4.813
240 2HO* U 23 2HO* U 23 -6.406 0.859 6.257
241 H1* U 23 H1* U 23 -8.399 1.593 4.856
242 H3 U 23 H3 U 23 -8.452 1.698 0.161
243 H5 U 23 H5 U 23 -6.195 5.085 1.090
244 H6 U 23 H6 U 23 -6.569 4.576 3.527
245 1H5* G 24 1H5* G 24 -10.663 2.836 7.721
246 2H5* G 24 2H5* G 24 -9.490 3.570 8.836
247 H4* G 24 H4* G 24 -11.182 1.203 9.852
248 H3* G 24 H3* G 24 -12.407 3.847 9.112
249 1H2* G 24 1H2* G 24 -12.004 4.431 11.173
250 2HO* G 24 2HO* G 24 -14.356 2.960 11.195
251 H1* G 24 H1* G 24 -11.852 1.472 12.098
252 H8 G 24 H8 G 24 -10.189 4.604 12.392
253 H1 G 24 H1 G 24 -10.277 1.508 18.007
254 1H2 G 24 1H2 G 24 -11.396 -0.359 17.795
255 2H2 G 24 2H2 G 24 -12.105 -0.825 16.259
256 1H5* G 25 1H5* G 25 -11.638 -0.020 7.653
257 2H5* G 25 2H5* G 25 -10.912 0.984 6.382
258 H4* G 25 H4* G 25 -12.902 -1.336 6.060
259 H3* G 25 H3* G 25 -10.230 -0.498 4.778
260 1H2* G 25 1H2* G 25 -10.737 -1.200 2.691
261 2HO* G 25 2HO* G 25 -11.377 -3.300 3.051
262 H1* G 25 H1* G 25 -13.422 -0.686 2.655
263 H8 G 25 H8 G 25 -11.102 2.080 4.182
264 H1 G 25 H1 G 25 -12.243 2.510 -2.084
265 1H2 G 25 1H2 G 25 -13.481 0.724 -2.755
266 2H2 G 25 2H2 G 25 -14.200 -0.410 -1.599
267 1H5* A 26 1H5* A 26 -8.181 -4.966 2.433
268 2H5* A 26 2H5* A 26 -8.367 -3.249 1.939
269 H4* A 26 H4* A 26 -10.431 -5.543 1.378
270 H3* A 26 H3* A 26 -8.067 -4.390 -0.180
271 1H2* A 26 1H2* A 26 -9.324 -4.350 -2.307
272 2HO* A 26 2HO* A 26 -10.277 -6.373 -1.184
273 H1* A 26 H1* A 26 -11.535 -3.411 -1.430
274 H8 A 26 H8 A 26 -9.470 -1.585 1.041
275 1H6 A 26 1H6 A 26 -7.999 2.587 -3.411
276 2H6 A 26 2H6 A 26 -7.528 2.213 -1.854
277 H2 A 26 H2 A 26 -10.064 -0.933 -5.331
278 1H5* G 27 1H5* G 27 -9.510 -7.468 -2.883
279 2H5* G 27 2H5* G 27 -8.274 -8.725 -3.227
280 H4* G 27 H4* G 27 -8.852 -7.660 -5.328
281 H3* G 27 H3* G 27 -6.208 -6.703 -4.190
282 1H2* G 27 1H2* G 27 -5.646 -5.627 -6.248
283 2HO* G 27 2HO* G 27 -6.983 -7.518 -7.083
284 H1* G 27 H1* G 27 -8.030 -4.500 -6.466
285 H8 G 27 H8 G 27 -7.504 -4.511 -2.760
286 H1 G 27 H1 G 27 -5.359 0.712 -5.880
287 1H2 G 27 1H2 G 27 -5.365 0.358 -8.023
288 2H2 G 27 2H2 G 27 -6.030 -1.085 -8.761
289 1H5* A 28 1H5* A 28 -1.929 -7.785 -5.359
290 2H5* A 28 2H5* A 28 -2.305 -9.314 -4.518
291 H4* A 28 H4* A 28 -1.179 -8.112 -2.852
292 H3* A 28 H3* A 28 -3.833 -8.398 -2.250
293 1H2* A 28 1H2* A 28 -4.655 -6.344 -3.163
294 2HO* A 28 2HO* A 28 -5.169 -6.203 -1.022
295 H1* A 28 H1* A 28 -2.175 -4.909 -1.917
296 H8 A 28 H8 A 28 -3.846 -5.336 -5.385
297 1H6 A 28 1H6 A 28 -2.452 0.723 -6.145
298 2H6 A 28 2H6 A 28 -3.292 -0.586 -6.945
299 H2 A 28 H2 A 28 -1.643 -0.391 -1.929
300 1H5* A 29 1H5* A 29 -0.818 -5.549 -0.074
301 2H5* A 29 2H5* A 29 0.434 -6.061 -1.240
302 H4* A 29 H4* A 29 1.399 -4.512 0.337
303 H3* A 29 H3* A 29 2.414 -7.398 0.495
304 1H2* A 29 1H2* A 29 3.177 -7.377 2.587
305 2HO* A 29 2HO* A 29 4.400 -5.516 1.658
306 H1* A 29 H1* A 29 1.894 -4.985 3.729
307 H8 A 29 H8 A 29 -0.268 -7.618 2.661
308 1H6 A 29 1H6 A 29 -0.373 -10.223 6.695
309 2H6 A 29 2H6 A 29 0.433 -10.054 8.267
310 H2 A 29 H2 A 29 3.536 -6.759 7.696
311 1H5* A 30 1H5* A 30 1.864 -7.787 -3.293
312 2H5* A 30 2H5* A 30 3.532 -7.547 -3.832
313 H4* A 30 H4* A 30 1.756 -7.101 -5.579
314 H3* A 30 H3* A 30 3.721 -5.023 -4.832
315 1H2* A 30 1H2* A 30 2.805 -3.243 -5.491
316 2HO* A 30 2HO* A 30 3.016 -3.872 -7.657
317 H1* A 30 H1* A 30 -0.026 -4.223 -6.058
318 H8 A 30 H8 A 30 0.922 -4.517 -2.584
319 1H6 A 30 1H6 A 30 1.308 1.445 -1.742
320 2H6 A 30 2H6 A 30 1.295 -0.052 -0.775
321 H2 A 30 H2 A 30 0.712 0.981 -5.919
322 1H5* C 31 1H5* C 31 6.761 -3.630 -8.981
323 2H5* C 31 2H5* C 31 6.567 -3.380 -7.234
324 H4* C 31 H4* C 31 4.783 -2.193 -9.490
325 H3* C 31 H3* C 31 6.980 -1.227 -7.588
326 1H2* C 31 1H2* C 31 5.989 0.807 -7.074
327 2HO* C 31 2HO* C 31 5.376 0.716 -9.409
328 H1* C 31 H1* C 31 3.389 -0.095 -6.931
329 1H4 C 31 1H4 C 31 4.696 -0.847 -0.657
330 2H4 C 31 2H4 C 31 5.161 -2.521 -1.100
331 H5 C 31 H5 C 31 5.560 -3.312 -3.238
332 H6 C 31 H6 C 31 5.289 -2.892 -5.576
333 1H5* A 32 1H5* A 32 10.232 0.465 -7.794
334 2H5* A 32 2H5* A 32 8.580 0.165 -7.265
335 H4* A 32 H4* A 32 9.157 2.943 -8.529
336 H3* A 32 H3* A 32 10.296 1.898 -5.896
337 1H2* A 32 1H2* A 32 10.090 3.949 -4.778
338 2HO* A 32 2HO* A 32 10.009 4.929 -7.283
339 H1* A 32 H1* A 32 7.531 4.340 -5.492
340 H8 A 32 H8 A 32 7.389 0.738 -5.607
341 1H6 A 32 1H6 A 32 7.228 0.028 0.364
342 2H6 A 32 2H6 A 32 7.123 -0.589 -1.262
343 H2 A 32 H2 A 32 8.301 4.519 -0.398
344 1H5* G 33 1H5* G 33 12.414 5.036 -5.851
345 2H5* G 33 2H5* G 33 14.193 4.847 -5.797
346 H4* G 33 H4* G 33 13.275 6.015 -3.793
347 H3* G 33 H3* G 33 14.557 3.239 -3.425
348 1H2* G 33 1H2* G 33 14.247 3.397 -1.062
349 2HO* G 33 2HO* G 33 14.958 5.690 -1.144
350 H1* G 33 H1* G 33 11.854 4.715 -1.093
351 H8 G 33 H8 G 33 10.884 2.379 -3.499
352 H1 G 33 H1 G 33 10.724 0.087 2.553
353 1H2 G 33 1H2 G 33 11.760 1.498 3.856
354 2H2 G 33 2H2 G 33 12.856 2.748 3.278
355 1H5* C 34 1H5* C 34 18.499 2.520 -3.570
356 2H5* C 34 2H5* C 34 16.716 2.518 -3.549
357 H4* C 34 H4* C 34 18.599 1.779 -1.173
358 H3* C 34 H3* C 34 16.651 0.119 -2.973
359 1H2* C 34 1H2* C 34 16.842 -1.542 -1.348
360 2HO* C 34 2HO* C 34 19.130 -0.801 -1.245
361 H1* C 34 H1* C 34 16.916 0.523 0.790
362 1H4 C 34 1H4 C 34 11.999 -3.644 0.660
363 2H4 C 34 2H4 C 34 10.982 -2.375 -0.059
364 H5 C 34 H5 C 34 11.987 -0.667 -1.363
365 H6 C 34 H6 C 34 13.976 0.878 -1.512
366 1H5* C 35 1H5* C 35 18.374 -3.476 -5.173
367 2H5* C 35 2H5* C 35 17.809 -3.043 -3.536
368 H4* C 35 H4* C 35 16.488 -4.711 -4.832
369 H3* C 35 H3* C 35 15.590 -2.331 -6.531
370 1H2* C 35 1H2* C 35 13.448 -3.064 -6.560
371 2HO* C 35 2HO* C 35 14.569 -5.286 -7.016
372 H1* C 35 H1* C 35 13.856 -4.848 -4.223
373 1H4 C 35 1H4 C 35 8.756 -2.286 -1.839
374 2H4 C 35 2H4 C 35 8.695 -0.884 -2.878
375 H5 C 35 H5 C 35 10.697 -0.388 -4.330
376 H6 C 35 H6 C 35 12.846 -1.354 -5.167
377 1H THR 1 1H THR 1 -0.172 12.161 2.315
378 2H THR 1 2H THR 1 0.598 11.856 0.875
379 HA THR 1 HA THR 1 -2.333 12.312 0.892
380 HB THR 1 HB THR 1 -1.147 11.799 -1.135
381 HG1 THR 1 1HG THR 1 -3.000 11.241 -1.831
382 1HG2 THR 1 1HG2 THR 1 -0.845 8.903 -0.282
383 2HG2 THR 1 3HG2 THR 1 -0.765 9.514 -1.974
384 3HG2 THR 1 2HG2 THR 1 0.390 10.145 -0.790
385 H ARG 2 H ARG 2 -3.746 10.129 0.683
386 HA ARG 2 HA ARG 2 -4.076 9.163 3.341
387 1HB ARG 2 2HB ARG 2 -5.958 9.906 1.827
388 2HB ARG 2 1HB ARG 2 -5.614 8.579 0.707
389 1HG ARG 2 2HG ARG 2 -6.369 6.900 2.301
390 2HG ARG 2 1HG ARG 2 -6.394 8.113 3.646
391 1HD ARG 2 2HD ARG 2 -8.276 9.222 2.930
392 2HD ARG 2 1HD ARG 2 -8.458 8.510 1.330
393 HE ARG 2 HE ARG 2 -9.486 7.356 3.735
394 1HH1 ARG 2 2HH2 ARG 2 -8.977 6.415 0.318
395 2HH1 ARG 2 1HH2 ARG 2 -9.900 4.984 0.669
396 1HH2 ARG 2 1HH1 ARG 2 -9.448 5.008 3.902
397 2HH2 ARG 2 2HH1 ARG 2 -10.460 4.488 2.750
398 H GLN 3 H GLN 3 -2.544 8.013 0.259
399 HA GLN 3 HA GLN 3 -2.680 5.321 0.822
400 1HB GLN 3 2HB GLN 3 -0.908 6.795 -1.191
401 2HB GLN 3 1HB GLN 3 -1.097 5.025 -1.052
402 1HG GLN 3 2HG GLN 3 -2.672 5.584 -2.802
403 2HG GLN 3 1HG GLN 3 -3.637 5.301 -1.335
404 1HE2 GLN 3 1HE2 GLN 3 -3.564 9.193 -2.751
405 2HE2 GLN 3 2HE2 GLN 3 -2.311 8.172 -3.424
406 H ALA 4 H ALA 4 -1.060 7.566 2.587
407 HA ALA 4 HA ALA 4 1.205 5.978 3.326
408 1HB ALA 4 2HB ALA 4 1.108 8.618 3.480
409 2HB ALA 4 1HB ALA 4 0.417 8.353 5.155
410 3HB ALA 4 3HB ALA 4 1.973 7.666 4.672
411 H ARG 5 H ARG 5 -1.820 6.990 5.002
412 HA ARG 5 HA ARG 5 -1.741 5.074 7.092
413 1HB ARG 5 2HB ARG 5 -4.136 6.481 5.901
414 2HB ARG 5 1HB ARG 5 -4.319 5.224 7.157
415 1HG ARG 5 2HG ARG 5 -3.241 6.300 8.866
416 2HG ARG 5 1HG ARG 5 -2.335 7.437 7.835
417 1HD ARG 5 2HD ARG 5 -5.382 7.541 8.343
418 2HD ARG 5 1HD ARG 5 -4.099 8.573 9.157
419 HE ARG 5 HE ARG 5 -3.894 8.535 6.223
420 1HH1 ARG 5 1HH2 ARG 5 -6.671 9.798 7.904
421 2HH1 ARG 5 2HH2 ARG 5 -6.583 11.122 6.948
422 1HH2 ARG 5 1HH1 ARG 5 -3.882 10.706 5.372
423 2HH2 ARG 5 2HH1 ARG 5 -5.457 11.435 5.678
424 H ARG 6 H ARG 6 -3.060 4.788 3.659
425 HA ARG 6 HA ARG 6 -3.658 2.032 4.017
426 1HB ARG 6 2HB ARG 6 -4.469 3.773 2.074
427 2HB ARG 6 1HB ARG 6 -3.089 3.060 1.244
428 1HG ARG 6 2HG ARG 6 -4.024 0.727 1.928
429 2HG ARG 6 1HG ARG 6 -5.592 1.544 2.263
430 1HD ARG 6 2HD ARG 6 -5.722 1.948 -0.324
431 2HD ARG 6 1HD ARG 6 -4.036 1.638 -0.402
432 HE ARG 6 HE ARG 6 -5.265 -0.320 -1.173
433 1HH1 ARG 6 2HH1 ARG 6 -5.756 -0.359 2.524
434 2HH1 ARG 6 1HH1 ARG 6 -5.954 -1.999 2.453
435 1HH2 ARG 6 2HH2 ARG 6 -6.398 -2.320 -0.914
436 2HH2 ARG 6 1HH2 ARG 6 -6.245 -3.077 0.625
437 H ASN 7 H ASN 7 -0.774 2.868 4.562
438 HA ASN 7 HA ASN 7 0.491 0.476 3.638
439 1HB ASN 7 2HB ASN 7 1.659 3.174 2.814
440 2HB ASN 7 1HB ASN 7 2.655 1.699 3.102
441 1HD2 ASN 7 1HD2 ASN 7 0.421 1.952 -0.258
442 2HD2 ASN 7 2HD2 ASN 7 0.451 3.198 0.932
443 H ARG 8 H ARG 8 0.569 3.249 5.902
444 HA ARG 8 HA ARG 8 2.362 2.047 7.821
445 1HB ARG 8 2HB ARG 8 2.242 4.427 7.331
446 2HB ARG 8 1HB ARG 8 0.559 4.465 7.879
447 1HG ARG 8 2HG ARG 8 1.989 3.355 10.111
448 2HG ARG 8 1HG ARG 8 3.175 4.436 9.350
449 1HD ARG 8 2HD ARG 8 0.389 5.131 10.410
450 2HD ARG 8 1HD ARG 8 2.037 5.624 11.097
451 HE ARG 8 HE ARG 8 1.909 6.503 8.383
452 1HH1 ARG 8 2HH2 ARG 8 1.027 7.754 11.422
453 2HH1 ARG 8 1HH2 ARG 8 0.559 9.320 10.791
454 1HH2 ARG 8 1HH1 ARG 8 1.312 7.940 7.562
455 2HH2 ARG 8 2HH1 ARG 8 1.210 9.491 8.241
456 H ARG 9 H ARG 9 -1.157 3.069 8.092
457 HA ARG 9 HA ARG 9 -1.716 1.294 10.228
458 1HB ARG 9 2HB ARG 9 -3.673 2.635 8.280
459 2HB ARG 9 1HB ARG 9 -4.248 1.428 9.436
460 1HG ARG 9 2HG ARG 9 -2.682 3.529 10.832
461 2HG ARG 9 1HG ARG 9 -3.977 4.228 9.818
462 1HD ARG 9 2HD ARG 9 -4.531 2.006 11.917
463 2HD ARG 9 1HD ARG 9 -4.573 3.728 12.369
464 HE ARG 9 HE ARG 9 -6.539 2.316 10.642
465 1HH1 ARG 9 2HH2 ARG 9 -5.459 5.682 10.994
466 2HH1 ARG 9 1HH2 ARG 9 -6.889 6.109 10.024
467 1HH2 ARG 9 2HH1 ARG 9 -8.718 3.779 10.671
468 2HH2 ARG 9 1HH1 ARG 9 -8.336 5.382 10.203
469 H ARG 10 H ARG 10 -2.062 0.841 6.705
470 HA ARG 10 HA ARG 10 -3.248 -1.657 6.741
471 1HB ARG 10 2HB ARG 10 -2.826 -0.169 4.705
472 2HB ARG 10 1HB ARG 10 -1.195 -0.887 4.578
473 1HG ARG 10 2HG ARG 10 -3.465 -2.885 4.813
474 2HG ARG 10 1HG ARG 10 -3.749 -1.684 3.537
475 1HD ARG 10 2HD ARG 10 -1.886 -2.478 2.136
476 2HD ARG 10 1HD ARG 10 -1.180 -3.374 3.525
477 HE ARG 10 HE ARG 10 -3.287 -4.777 3.602
478 1HH1 ARG 10 2HH2 ARG 10 -2.628 -3.599 0.332
479 2HH1 ARG 10 1HH2 ARG 10 -3.592 -4.916 -0.292
480 1HH2 ARG 10 2HH1 ARG 10 -4.485 -6.227 2.707
481 2HH2 ARG 10 1HH1 ARG 10 -4.670 -6.242 0.992
482 H ARG 11 H ARG 11 0.388 -0.989 7.025
483 HA ARG 11 HA ARG 11 1.089 -3.690 6.966
484 1HB ARG 11 2HB ARG 11 2.465 -1.845 6.167
485 2HB ARG 11 1HB ARG 11 2.840 -1.359 7.844
486 1HG ARG 11 2HG ARG 11 4.187 -3.371 8.104
487 2HG ARG 11 1HG ARG 11 3.435 -4.221 6.707
488 1HD ARG 11 2HD ARG 11 5.153 -1.688 6.310
489 2HD ARG 11 1HD ARG 11 5.828 -3.360 6.529
490 HE ARG 11 HE ARG 11 4.396 -4.042 4.556
491 1HH1 ARG 11 1HH1 ARG 11 4.398 -0.600 4.503
492 2HH1 ARG 11 2HH1 ARG 11 5.112 -0.464 2.887
493 1HH2 ARG 11 2HH2 ARG 11 5.226 -3.915 2.549
494 2HH2 ARG 11 1HH2 ARG 11 4.971 -2.395 1.704
495 H TRP 12 H TRP 12 0.425 -1.438 9.760
496 HA TRP 12 HA TRP 12 1.154 -3.441 11.696
497 1HB TRP 12 2HB TRP 12 -0.267 -0.729 12.255
498 2HB TRP 12 1HB TRP 12 0.232 -1.921 13.497
499 HD1 TRP 12 HD1 TRP 12 1.765 0.859 11.383
500 HE1 TRP 12 HE1 TRP 12 4.206 0.480 11.194
501 HE3 TRP 12 HE3 TRP 12 2.178 -3.373 14.239
502 HZ2 TRP 12 HZ2 TRP 12 6.287 -0.913 12.735
503 HZ3 TRP 12 HZ3 TRP 12 4.445 -4.241 14.723
504 HH2 TRP 12 HH2 TRP 12 6.451 -3.018 14.037
505 H ARG 13 H ARG 13 -2.004 -2.567 10.042
506 HA ARG 13 HA ARG 13 -3.520 -4.051 11.854
507 1HB ARG 13 2HB ARG 13 -4.055 -1.843 10.615
508 2HB ARG 13 1HB ARG 13 -4.470 -2.907 9.234
509 1HG ARG 13 2HG ARG 13 -5.979 -4.036 11.263
510 2HG ARG 13 1HG ARG 13 -5.594 -2.465 12.041
511 1HD ARG 13 2HD ARG 13 -7.686 -2.047 11.026
512 2HD ARG 13 1HD ARG 13 -6.573 -1.361 9.774
513 HE ARG 13 HE ARG 13 -7.622 -4.212 9.756
514 1HH1 ARG 13 2HH2 ARG 13 -6.916 -1.437 7.374
515 2HH1 ARG 13 1HH2 ARG 13 -7.237 -2.519 6.268
516 1HH2 ARG 13 1HH1 ARG 13 -8.038 -4.676 6.970
517 2HH2 ARG 13 2HH1 ARG 13 -6.505 -4.891 6.943
518 H GLU 14 H GLU 14 -2.635 -4.676 8.228
519 HA GLU 14 HA GLU 14 -4.032 -6.898 7.725
520 1HB GLU 14 2HB GLU 14 -1.269 -6.467 6.737
521 2HB GLU 14 1HB GLU 14 -2.323 -7.839 6.313
522 1HG GLU 14 2HG GLU 14 -2.760 -4.947 5.607
523 2HG GLU 14 1HG GLU 14 -2.425 -6.336 4.542
524 H ARG 15 H ARG 15 -1.052 -6.767 9.707
525 HA ARG 15 HA ARG 15 -0.215 -9.284 10.327
526 1HB ARG 15 2HB ARG 15 0.309 -6.777 11.155
527 2HB ARG 15 1HB ARG 15 -0.617 -7.256 12.575
528 1HG ARG 15 2HG ARG 15 1.034 -9.013 13.086
529 2HG ARG 15 1HG ARG 15 1.750 -8.933 11.450
530 1HD ARG 15 2HD ARG 15 1.930 -6.700 13.538
531 2HD ARG 15 1HD ARG 15 3.237 -7.931 13.143
532 HE ARG 15 HE ARG 15 2.210 -5.924 11.073
533 1HH1 ARG 15 1HH2 ARG 15 5.225 -7.341 12.414
534 2HH1 ARG 15 2HH2 ARG 15 5.991 -6.594 11.009
535 1HH2 ARG 15 1HH1 ARG 15 3.338 -5.439 9.505
536 2HH2 ARG 15 2HH1 ARG 15 5.096 -5.699 9.575
537 H GLN 16 H GLN 16 -3.268 -7.842 11.435
538 HA GLN 16 HA GLN 16 -3.963 -9.818 13.404
539 1HB GLN 16 2HB GLN 16 -4.469 -7.572 14.009
540 2HB GLN 16 1HB GLN 16 -4.977 -7.138 12.363
541 1HG GLN 16 2HG GLN 16 -6.870 -6.861 13.592
542 2HG GLN 16 1HG GLN 16 -7.163 -8.291 12.566
543 1HE2 GLN 16 1HE2 GLN 16 -7.319 -10.506 15.446
544 2HE2 GLN 16 2HE2 GLN 16 -6.748 -10.518 13.795
545 H ARG 17 H ARG 17 -4.906 -9.090 10.120
546 HA ARG 17 HA ARG 17 -7.329 -10.488 9.732
547 1HB ARG 17 2HB ARG 17 -6.607 -8.682 8.248
548 2HB ARG 17 1HB ARG 17 -5.213 -9.667 7.721
549 1HG ARG 17 2HG ARG 17 -6.811 -11.292 6.579
550 2HG ARG 17 1HG ARG 17 -8.212 -10.301 7.114
551 1HD ARG 17 2HD ARG 17 -7.273 -8.341 5.765
552 2HD ARG 17 1HD ARG 17 -5.887 -9.391 5.317
553 HE ARG 17 HE ARG 17 -8.506 -10.582 4.521
554 1HH1 ARG 17 2HH1 ARG 17 -5.952 -8.348 3.258
555 2HH1 ARG 17 1HH1 ARG 17 -6.319 -8.803 1.634
556 1HH2 ARG 17 2HH2 ARG 17 -8.907 -10.834 2.113
557 2HH2 ARG 17 1HH2 ARG 17 -7.884 -9.906 1.112
No H/Q in entry = 557
Start of MODEL 2
1 H4* G 1 H4* G 1 9.824 -9.988 2.114
2 H3* G 1 H3* G 1 6.750 -9.650 1.897
3 1H2* G 1 1H2* G 1 6.639 -7.887 1.332
4 2HO* G 1 2HO* G 1 8.339 -6.349 2.821
5 H1* G 1 H1* G 1 9.618 -7.387 1.412
6 H8 G 1 H8 G 1 7.007 -5.878 -0.283
7 H1 G 1 H1 G 1 12.884 -4.214 -2.189
8 1H2 G 1 1H2 G 1 14.310 -5.542 -1.315
9 2H2 G 1 2H2 G 1 13.862 -7.029 -0.466
10 1H5* G 2 1H5* G 2 8.404 -9.763 7.534
11 2H5* G 2 2H5* G 2 7.045 -8.737 8.018
12 H4* G 2 H4* G 2 9.221 -7.927 8.813
13 H3* G 2 H3* G 2 7.969 -5.990 6.770
14 1H2* G 2 1H2* G 2 9.993 -4.461 7.394
15 2HO* G 2 2HO* G 2 9.458 -5.582 9.508
16 H1* G 2 H1* G 2 11.696 -6.257 7.144
17 H8 G 2 H8 G 2 9.080 -7.322 4.617
18 H1 G 2 H1 G 2 12.954 -2.583 2.580
19 1H2 G 2 1H2 G 2 14.236 -1.945 4.226
20 2H2 G 2 2H2 G 2 13.849 -2.399 5.879
21 1H5* C 3 1H5* C 3 8.549 -3.358 10.207
22 2H5* C 3 2H5* C 3 7.036 -2.482 10.599
23 H4* C 3 H4* C 3 8.760 -0.841 10.334
24 H3* C 3 H3* C 3 7.073 -1.058 7.801
25 1H2* C 3 1H2* C 3 8.283 0.752 6.853
26 2HO* C 3 2HO* C 3 8.434 2.007 8.468
27 H1* C 3 H1* C 3 10.672 -0.199 7.420
28 1H4 C 3 1H4 C 3 8.684 -2.406 1.760
29 2H4 C 3 2H4 C 3 8.114 -3.896 2.488
30 H5 C 3 H5 C 3 8.039 -4.191 4.846
31 H6 C 3 H6 C 3 8.588 -3.210 7.017
32 1H5* U 4 1H5* U 4 7.888 4.279 8.794
33 2H5* U 4 2H5* U 4 6.158 4.565 8.494
34 H4* U 4 H4* U 4 7.829 5.634 6.834
35 H3* U 4 H3* U 4 5.914 3.561 5.647
36 1H2* U 4 1H2* U 4 6.443 4.536 3.540
37 2HO* U 4 2HO* U 4 6.640 6.765 4.120
38 H1* U 4 H1* U 4 8.973 4.584 4.002
39 H3 U 4 H3 U 4 7.875 1.718 0.684
40 H5 U 4 H5 U 4 6.498 -0.352 4.168
41 H6 U 4 H6 U 4 7.258 1.599 5.458
42 1H5* G 5 1H5* G 5 6.062 9.096 4.727
43 2H5* G 5 2H5* G 5 4.409 9.421 4.432
44 H4* G 5 H4* G 5 6.287 9.738 2.477
45 H3* G 5 H3* G 5 3.499 9.814 2.624
46 1H2* G 5 1H2* G 5 3.192 7.470 2.328
47 2HO* G 5 2HO* G 5 2.979 9.246 0.264
48 H1* G 5 H1* G 5 4.753 7.594 -0.072
49 H8 G 5 H8 G 5 4.753 5.677 3.073
50 H1 G 5 H1 G 5 5.021 1.903 -2.146
51 1H2 G 5 1H2 G 5 5.233 2.946 -3.891
52 2H2 G 5 2H2 G 5 5.082 4.678 -4.052
53 1H5* G 6 1H5* G 6 6.167 10.893 -1.667
54 2H5* G 6 2H5* G 6 5.565 12.400 -2.428
55 H4* G 6 H4* G 6 5.598 10.888 -4.224
56 H3* G 6 H3* G 6 2.755 10.695 -3.063
57 1H2* G 6 1H2* G 6 2.154 9.428 -4.836
58 2HO* G 6 2HO* G 6 2.952 10.435 -6.460
59 H1* G 6 H1* G 6 4.496 8.018 -5.081
60 H8 G 6 H8 G 6 3.097 8.015 -1.672
61 H1 G 6 H1 G 6 1.938 2.695 -4.994
62 1H2 G 6 1H2 G 6 2.838 2.866 -7.144
63 2H2 G 6 2H2 G 6 3.503 4.373 -7.707
64 1H5* A 7 1H5* A 7 -0.481 11.583 -7.245
65 2H5* A 7 2H5* A 7 -0.402 10.676 -5.710
66 H4* A 7 H4* A 7 1.067 9.826 -8.299
67 H3* A 7 H3* A 7 -1.574 8.796 -7.081
68 1H2* A 7 1H2* A 7 -1.168 6.777 -8.399
69 2HO* A 7 2HO* A 7 -0.059 8.152 -10.179
70 H1* A 7 H1* A 7 1.451 6.692 -7.510
71 H8 A 7 H8 A 7 0.123 7.778 -4.460
72 1H6 A 7 1H6 A 7 -1.743 1.949 -3.254
73 2H6 A 7 2H6 A 7 -1.867 3.523 -2.578
74 H2 A 7 H2 A 7 -0.873 2.260 -7.620
75 1H5* C 8 1H5* C 8 -5.139 8.475 -9.913
76 2H5* C 8 2H5* C 8 -3.888 8.449 -8.638
77 H4* C 8 H4* C 8 -3.433 6.293 -10.724
78 H3* C 8 H3* C 8 -5.936 6.485 -8.978
79 1H2* C 8 1H2* C 8 -5.824 4.490 -8.417
80 2HO* C 8 2HO* C 8 -5.764 3.592 -10.614
81 H1* C 8 H1* C 8 -3.121 3.911 -8.851
82 1H4 C 8 1H4 C 8 -4.808 2.584 -2.741
83 2H4 C 8 2H4 C 8 -4.741 4.283 -2.344
84 H5 C 8 H5 C 8 -4.069 5.984 -3.953
85 H6 C 8 H6 C 8 -3.712 6.448 -6.306
86 1H5* U 9 1H5* U 9 -6.465 2.403 -12.820
87 2H5* U 9 2H5* U 9 -8.003 3.205 -13.272
88 H4* U 9 H4* U 9 -8.296 0.833 -12.120
89 H3* U 9 H3* U 9 -9.539 3.372 -11.080
90 1H2* U 9 1H2* U 9 -9.988 2.522 -9.215
91 2HO* U 9 2HO* U 9 -11.450 0.887 -9.366
92 H1* U 9 H1* U 9 -8.446 0.156 -9.109
93 H3 U 9 H3 U 9 -8.132 1.500 -4.746
94 H5 U 9 H5 U 9 -7.172 4.992 -6.967
95 H6 U 9 H6 U 9 -7.514 3.690 -8.950
96 1H5* C 10 1H5* C 10 -14.255 3.630 -10.670
97 2H5* C 10 2H5* C 10 -12.612 3.534 -9.986
98 H4* C 10 H4* C 10 -14.656 1.183 -9.758
99 H3* C 10 H3* C 10 -14.146 3.548 -7.841
100 1H2* C 10 1H2* C 10 -14.558 2.089 -5.957
101 2HO* C 10 2HO* C 10 -16.085 0.912 -6.156
102 H1* C 10 H1* C 10 -12.953 0.282 -6.739
103 1H4 C 10 1H4 C 10 -10.301 4.785 -3.291
104 2H4 C 10 2H4 C 10 -9.456 5.728 -4.489
105 H5 C 10 H5 C 10 -10.131 5.036 -6.891
106 H6 C 10 H6 C 10 -11.499 3.200 -8.220
107 1H5* G 11 1H5* G 11 -17.911 1.825 -7.147
108 2H5* G 11 2H5* G 11 -19.451 2.642 -6.740
109 H4* G 11 H4* G 11 -18.762 1.127 -4.909
110 H3* G 11 H3* G 11 -18.632 4.140 -4.350
111 1H2* G 11 1H2* G 11 -17.910 3.630 -2.036
112 2HO* G 11 2HO* G 11 -19.588 2.098 -1.904
113 H1* G 11 H1* G 11 -16.409 1.675 -2.494
114 H8 G 11 H8 G 11 -15.155 3.785 -5.429
115 H1 G 11 H1 G 11 -13.037 6.293 -0.021
116 1H2 G 11 1H2 G 11 -13.953 5.564 1.809
117 2H2 G 11 2H2 G 11 -15.045 4.200 1.785
118 1H5* U 12 1H5* U 12 -21.146 1.954 -0.945
119 2H5* U 12 2H5* U 12 -22.533 2.885 -0.328
120 H4* U 12 H4* U 12 -20.586 2.931 1.275
121 H3* U 12 H3* U 12 -21.524 5.525 -0.044
122 1H2* U 12 1H2* U 12 -19.979 6.762 0.832
123 2HO* U 12 2HO* U 12 -20.344 6.175 2.975
124 H1* U 12 H1* U 12 -17.904 4.887 1.192
125 H3 U 12 H3 U 12 -16.360 8.597 -1.051
126 H5 U 12 H5 U 12 -18.698 6.532 -3.977
127 H6 U 12 H6 U 12 -19.323 4.973 -2.123
128 1H5* A 13 1H5* A 13 -21.432 6.142 5.167
129 2H5* A 13 2H5* A 13 -22.792 7.287 5.258
130 H4* A 13 H4* A 13 -20.566 8.071 6.271
131 H3* A 13 H3* A 13 -21.692 9.680 4.004
132 1H2* A 13 1H2* A 13 -19.958 11.309 4.209
133 2HO* A 13 2HO* A 13 -19.257 11.902 5.885
134 H1* A 13 H1* A 13 -18.012 9.608 4.451
135 H8 A 13 H8 A 13 -20.495 8.259 1.952
136 1H6 A 13 1H6 A 13 -17.591 11.921 -2.248
137 2H6 A 13 2H6 A 13 -18.725 10.632 -2.160
138 H2 A 13 H2 A 13 -16.018 12.854 1.810
139 1H5* C 14 1H5* C 14 -21.148 12.737 7.014
140 2H5* C 14 2H5* C 14 -22.312 14.103 7.010
141 H4* C 14 H4* C 14 -20.086 14.998 6.246
142 H3* C 14 H3* C 14 -21.945 14.727 4.093
143 1H2* C 14 1H2* C 14 -20.205 16.291 2.912
144 2HO* C 14 2HO* C 14 -19.429 16.948 5.278
145 H1* C 14 H1* C 14 -18.469 14.524 3.316
146 1H4 C 14 1H4 C 14 -20.979 12.590 -2.179
147 2H4 C 14 2H4 C 14 -22.086 11.418 -1.524
148 H5 C 14 H5 C 14 -22.107 11.251 1.120
149 H6 C 14 H6 C 14 -21.235 12.241 3.177
150 1H5* U 15 1H5* U 15 -19.650 19.113 3.927
151 2H5* U 15 2H5* U 15 -20.843 20.432 3.789
152 H4* U 15 H4* U 15 -19.679 20.027 1.685
153 H3* U 15 H3* U 15 -22.595 19.096 1.607
154 1H2* U 15 1H2* U 15 -22.538 18.888 -0.603
155 2HO* U 15 2HO* U 15 -20.740 19.447 -1.893
156 H1* U 15 H1* U 15 -20.367 17.553 -0.654
157 H3 U 15 H3 U 15 -23.312 14.174 -1.318
158 H5 U 15 H5 U 15 -23.357 14.970 2.880
159 H6 U 15 H6 U 15 -21.975 16.873 2.394
160 1H5* U 16 1H5* U 16 -25.177 22.501 -1.495
161 2H5* U 16 2H5* U 16 -24.835 20.989 -2.382
162 H4* U 16 H4* U 16 -24.587 23.055 -3.768
163 H3* U 16 H3* U 16 -22.889 21.086 -4.321
164 1H2* U 16 1H2* U 16 -21.548 21.535 -2.364
165 2HO* U 16 2HO* U 16 -20.372 21.175 -4.353
166 H1* U 16 H1* U 16 -21.321 24.225 -3.641
167 H3 U 16 H3 U 16 -19.676 26.809 0.062
168 H5 U 16 H5 U 16 -19.592 22.735 1.266
169 H6 U 16 H6 U 16 -20.804 22.225 -0.774
170 1H5* C 17 1H5* C 17 -22.055 21.206 -7.094
171 2H5* C 17 2H5* C 17 -22.888 21.420 -8.644
172 H4* C 17 H4* C 17 -22.844 19.181 -8.209
173 H3* C 17 H3* C 17 -25.589 20.293 -7.958
174 1H2* C 17 1H2* C 17 -25.921 19.263 -5.822
175 2HO* C 17 2HO* C 17 -26.181 17.586 -7.954
176 H1* C 17 H1* C 17 -23.803 17.198 -6.652
177 1H4 C 17 1H4 C 17 -25.019 17.206 -0.084
178 2H4 C 17 2H4 C 17 -25.835 15.759 -0.685
179 H5 C 17 H5 C 17 -24.257 19.033 -1.793
180 H6 C 17 H6 C 17 -23.962 19.449 -4.031
181 1H5* G 18 1H5* G 18 -22.792 15.629 -11.028
182 2H5* G 18 2H5* G 18 -23.058 16.323 -9.402
183 H4* G 18 H4* G 18 -20.628 17.063 -11.303
184 H3* G 18 H3* G 18 -20.491 15.965 -8.789
185 1H2* G 18 1H2* G 18 -18.694 17.008 -8.544
186 2HO* G 18 2HO* G 18 -17.766 16.935 -10.607
187 H1* G 18 H1* G 18 -19.624 19.495 -9.471
188 H8 G 18 H8 G 18 -19.419 20.614 -7.387
189 H1 G 18 H1 G 18 -21.863 16.087 -3.565
190 1H2 G 18 1H2 G 18 -22.488 14.218 -6.333
191 2H2 G 18 2H2 G 18 -22.262 14.181 -4.602
192 1H5* G 19 1H5* G 19 -14.996 14.665 -10.029
193 2H5* G 19 2H5* G 19 -16.032 14.127 -8.674
194 H4* G 19 H4* G 19 -14.925 16.952 -9.257
195 H3* G 19 H3* G 19 -14.875 14.956 -6.996
196 1H2* G 19 1H2* G 19 -15.203 16.890 -5.224
197 2HO* G 19 2HO* G 19 -13.821 17.934 -7.054
198 H1* G 19 H1* G 19 -17.189 18.042 -6.529
199 H8 G 19 H8 G 19 -18.322 15.165 -7.772
200 H1 G 19 H1 G 19 -19.228 14.925 -1.438
201 1H2 G 19 1H2 G 19 -17.960 16.408 -0.392
202 2H2 G 19 2H2 G 19 -16.971 17.621 -1.217
203 1H5* U 20 1H5* U 20 -11.266 17.832 -6.099
204 2H5* U 20 2H5* U 20 -9.735 17.018 -5.660
205 H4* U 20 H4* U 20 -10.601 18.327 -3.741
206 H3* U 20 H3* U 20 -10.676 15.314 -3.508
207 1H2* U 20 1H2* U 20 -11.559 15.465 -1.213
208 2HO* U 20 2HO* U 20 -10.147 17.542 -1.326
209 H1* U 20 H1* U 20 -13.273 17.453 -1.657
210 H3 U 20 H3 U 20 -15.739 13.423 -1.077
211 H5 U 20 H5 U 20 -15.309 13.982 -5.189
212 H6 U 20 H6 U 20 -13.760 15.831 -4.725
213 1H5* A 21 1H5* A 21 -9.122 16.380 0.353
214 2H5* A 21 2H5* A 21 -7.839 15.286 0.909
215 H4* A 21 H4* A 21 -9.931 15.298 2.373
216 H3* A 21 H3* A 21 -9.153 12.742 0.938
217 1H2* A 21 1H2* A 21 -10.827 11.605 1.631
218 2HO* A 21 2HO* A 21 -11.365 11.519 3.778
219 H1* A 21 H1* A 21 -12.721 13.489 1.856
220 H8 A 21 H8 A 21 -11.229 13.590 -1.519
221 1H6 A 21 1H6 A 21 -15.274 8.947 -2.910
222 2H6 A 21 2H6 A 21 -14.308 10.152 -3.661
223 H2 A 21 H2 A 21 -15.069 9.604 1.625
224 1H5* C 22 1H5* C 22 -9.579 11.874 5.444
225 2H5* C 22 2H5* C 22 -8.337 10.788 6.089
226 H4* C 22 H4* C 22 -10.621 10.079 6.757
227 H3* C 22 H3* C 22 -9.330 8.247 4.791
228 1H2* C 22 1H2* C 22 -10.918 6.704 4.716
229 2HO* C 22 2HO* C 22 -12.830 6.685 6.100
230 H1* C 22 H1* C 22 -13.005 8.655 4.382
231 1H4 C 22 1H4 C 22 -11.143 7.568 -1.673
232 2H4 C 22 2H4 C 22 -10.278 9.091 -1.523
233 H5 C 22 H5 C 22 -10.075 10.160 0.446
234 H6 C 22 H6 C 22 -10.486 10.243 2.826
235 1H5* U 23 1H5* U 23 -10.179 5.468 7.053
236 2H5* U 23 2H5* U 23 -9.529 4.687 8.517
237 H4* U 23 H4* U 23 -10.220 2.985 6.949
238 H3* U 23 H3* U 23 -7.238 3.394 7.542
239 1H2* U 23 1H2* U 23 -6.449 3.118 5.655
240 2HO* U 23 2HO* U 23 -7.448 0.844 6.508
241 H1* U 23 H1* U 23 -9.033 1.676 4.857
242 H3 U 23 H3 U 23 -8.407 2.088 0.314
243 H5 U 23 H5 U 23 -5.923 5.158 1.961
244 H6 U 23 H6 U 23 -6.766 4.479 4.185
245 1H5* G 24 1H5* G 24 -9.842 -0.576 11.359
246 2H5* G 24 2H5* G 24 -10.274 -0.376 9.629
247 H4* G 24 H4* G 24 -12.176 0.300 11.085
248 H3* G 24 H3* G 24 -11.172 2.072 9.089
249 1H2* G 24 1H2* G 24 -10.602 3.514 10.356
250 2HO* G 24 2HO* G 24 -13.034 4.168 9.711
251 H1* G 24 H1* G 24 -12.263 3.201 12.953
252 H8 G 24 H8 G 24 -8.958 1.985 12.474
253 H1 G 24 H1 G 24 -8.283 8.025 14.385
254 1H2 G 24 1H2 G 24 -11.677 8.294 13.910
255 2H2 G 24 2H2 G 24 -10.245 9.089 14.542
256 1H5* G 25 1H5* G 25 -12.191 0.147 7.308
257 2H5* G 25 2H5* G 25 -11.214 1.224 6.278
258 H4* G 25 H4* G 25 -13.901 -0.210 5.590
259 H3* G 25 H3* G 25 -11.101 0.022 4.340
260 1H2* G 25 1H2* G 25 -11.662 -0.662 2.460
261 2HO* G 25 2HO* G 25 -12.852 -2.162 2.013
262 H1* G 25 H1* G 25 -14.312 0.547 2.612
263 H8 G 25 H8 G 25 -11.499 2.771 3.590
264 H1 G 25 H1 G 25 -12.485 2.444 -2.784
265 1H2 G 25 1H2 G 25 -13.835 0.656 -3.243
266 2H2 G 25 2H2 G 25 -14.540 -0.331 -1.940
267 1H5* A 26 1H5* A 26 -11.995 -3.850 3.347
268 2H5* A 26 2H5* A 26 -10.639 -4.989 3.169
269 H4* A 26 H4* A 26 -11.910 -4.760 1.051
270 H3* A 26 H3* A 26 -9.144 -3.444 1.070
271 1H2* A 26 1H2* A 26 -9.280 -2.964 -1.069
272 2HO* A 26 2HO* A 26 -9.846 -5.075 -1.623
273 H1* A 26 H1* A 26 -12.140 -2.751 -1.252
274 H8 A 26 H8 A 26 -10.367 -0.440 1.254
275 1H6 A 26 1H6 A 26 -8.404 2.997 -3.262
276 2H6 A 26 2H6 A 26 -8.597 2.670 -1.541
277 H2 A 26 H2 A 26 -10.546 -0.701 -5.148
278 1H5* G 27 1H5* G 27 -9.755 -6.958 -2.316
279 2H5* G 27 2H5* G 27 -8.283 -7.956 -2.216
280 H4* G 27 H4* G 27 -8.869 -7.282 -4.574
281 H3* G 27 H3* G 27 -6.232 -6.333 -3.441
282 1H2* G 27 1H2* G 27 -5.617 -5.125 -5.473
283 2HO* G 27 2HO* G 27 -6.918 -7.049 -6.401
284 H1* G 27 H1* G 27 -7.990 -4.064 -5.984
285 H8 G 27 H8 G 27 -8.135 -3.950 -2.410
286 H1 G 27 H1 G 27 -5.010 0.968 -5.080
287 1H2 G 27 1H2 G 27 -4.764 0.508 -7.295
288 2H2 G 27 2H2 G 27 -5.091 -1.139 -7.888
289 1H5* A 28 1H5* A 28 -4.218 -6.940 -4.003
290 2H5* A 28 2H5* A 28 -3.019 -8.238 -3.996
291 H4* A 28 H4* A 28 -2.391 -7.942 -1.840
292 H3* A 28 H3* A 28 -4.983 -7.405 -0.946
293 1H2* A 28 1H2* A 28 -5.152 -5.093 -1.746
294 2HO* A 28 2HO* A 28 -5.546 -4.690 0.261
295 H1* A 28 H1* A 28 -2.290 -4.614 -0.824
296 H8 A 28 H8 A 28 -3.983 -4.737 -4.186
297 1H6 A 28 1H6 A 28 -2.054 0.997 -5.280
298 2H6 A 28 2H6 A 28 -2.652 -0.502 -5.916
299 H2 A 28 H2 A 28 -1.342 0.089 -0.794
300 1H5* A 29 1H5* A 29 -1.102 -5.324 0.700
301 2H5* A 29 2H5* A 29 -0.230 -5.864 -0.779
302 H4* A 29 H4* A 29 1.265 -4.641 0.495
303 H3* A 29 H3* A 29 1.808 -7.688 0.518
304 1H2* A 29 1H2* A 29 3.203 -7.671 2.195
305 2HO* A 29 2HO* A 29 4.605 -6.102 0.899
306 H1* A 29 H1* A 29 2.607 -5.277 3.606
307 H8 A 29 H8 A 29 -0.216 -7.366 3.231
308 1H6 A 29 1H6 A 29 -0.211 -9.783 7.306
309 2H6 A 29 2H6 A 29 1.009 -10.323 8.423
310 H2 A 29 H2 A 29 4.753 -7.777 7.154
311 1H5* A 30 1H5* A 30 2.128 -7.898 -2.714
312 2H5* A 30 2H5* A 30 3.389 -8.355 -3.919
313 H4* A 30 H4* A 30 1.459 -7.429 -5.117
314 H3* A 30 H3* A 30 3.936 -5.779 -5.099
315 1H2* A 30 1H2* A 30 2.980 -3.861 -5.204
316 2HO* A 30 2HO* A 30 2.732 -3.605 -7.247
317 H1* A 30 H1* A 30 0.064 -4.748 -5.323
318 H8 A 30 H8 A 30 1.087 -4.364 -1.906
319 1H6 A 30 1H6 A 30 1.347 0.337 -1.084
320 2H6 A 30 2H6 A 30 1.464 1.739 -2.231
321 H2 A 30 H2 A 30 0.986 0.299 -6.306
322 1H5* C 31 1H5* C 31 6.557 -4.544 -8.574
323 2H5* C 31 2H5* C 31 5.931 -4.421 -6.909
324 H4* C 31 H4* C 31 4.803 -2.807 -9.347
325 H3* C 31 H3* C 31 7.137 -2.214 -7.435
326 1H2* C 31 1H2* C 31 6.571 0.049 -7.086
327 2HO* C 31 2HO* C 31 6.236 0.443 -9.432
328 H1* C 31 H1* C 31 3.924 -0.158 -7.108
329 1H4 C 31 1H4 C 31 4.827 -0.545 -0.524
330 2H4 C 31 2H4 C 31 4.715 -2.272 -0.897
331 H5 C 31 H5 C 31 5.066 -3.255 -2.889
332 H6 C 31 H6 C 31 4.982 -3.109 -5.229
333 1H5* A 32 1H5* A 32 11.107 -0.216 -8.756
334 2H5* A 32 2H5* A 32 9.865 -0.592 -7.532
335 H4* A 32 H4* A 32 10.246 2.225 -8.923
336 H3* A 32 H3* A 32 11.110 0.998 -6.314
337 1H2* A 32 1H2* A 32 11.091 2.983 -5.176
338 2HO* A 32 2HO* A 32 10.686 4.985 -6.061
339 H1* A 32 H1* A 32 8.615 3.689 -6.094
340 H8 A 32 H8 A 32 8.155 0.014 -6.016
341 1H6 A 32 1H6 A 32 7.019 0.045 -0.173
342 2H6 A 32 2H6 A 32 7.444 -0.701 -1.687
343 H2 A 32 H2 A 32 8.787 4.299 -1.175
344 1H5* G 33 1H5* G 33 13.595 3.998 -5.975
345 2H5* G 33 2H5* G 33 15.246 3.510 -5.527
346 H4* G 33 H4* G 33 14.154 4.978 -3.872
347 H3* G 33 H3* G 33 14.681 2.195 -2.749
348 1H2* G 33 1H2* G 33 14.087 3.143 -0.535
349 2HO* G 33 2HO* G 33 15.096 5.172 -1.590
350 H1* G 33 H1* G 33 11.984 4.487 -1.368
351 H8 G 33 H8 G 33 11.464 1.644 -3.524
352 H1 G 33 H1 G 33 10.215 -0.007 2.605
353 1H2 G 33 1H2 G 33 10.981 1.549 4.011
354 2H2 G 33 2H2 G 33 11.747 3.034 3.455
355 1H5* C 34 1H5* C 34 17.401 4.654 0.774
356 2H5* C 34 2H5* C 34 18.916 3.869 0.220
357 H4* C 34 H4* C 34 18.409 3.400 2.660
358 H3* C 34 H3* C 34 18.316 1.020 0.712
359 1H2* C 34 1H2* C 34 17.922 -0.471 2.510
360 2HO* C 34 2HO* C 34 19.382 1.052 3.686
361 H1* C 34 H1* C 34 16.048 1.200 3.786
362 1H4 C 34 1H4 C 34 12.453 -2.688 -0.092
363 2H4 C 34 2H4 C 34 12.419 -1.346 -1.203
364 H5 C 34 H5 C 34 13.525 0.642 -0.891
365 H6 C 34 H6 C 34 15.060 1.957 0.456
366 1H5* C 35 1H5* C 35 19.840 -1.606 1.497
367 2H5* C 35 2H5* C 35 21.371 -2.069 0.716
368 H4* C 35 H4* C 35 19.714 -3.533 -0.022
369 H3* C 35 H3* C 35 20.470 -1.567 -2.243
370 1H2* C 35 1H2* C 35 18.923 -2.363 -3.667
371 2HO* C 35 2HO* C 35 19.958 -4.522 -2.934
372 H1* C 35 H1* C 35 17.503 -3.863 -1.545
373 1H4 C 35 1H4 C 35 12.089 -1.710 -3.795
374 2H4 C 35 2H4 C 35 12.886 -0.746 -5.056
375 H5 C 35 H5 C 35 15.188 0.173 -4.394
376 H6 C 35 H6 C 35 17.323 -0.573 -3.305
377 1H THR 1 1H THR 1 1.038 9.289 0.907
378 2H THR 1 2H THR 1 1.338 10.879 1.047
379 HA THR 1 HA THR 1 -0.898 11.580 1.029
380 HB THR 1 HB THR 1 -1.719 11.027 -0.976
381 HG1 THR 1 1HG THR 1 -2.066 8.966 -1.758
382 1HG2 THR 1 2HG2 THR 1 0.677 10.816 -1.620
383 2HG2 THR 1 1HG2 THR 1 0.600 9.013 -1.386
384 3HG2 THR 1 3HG2 THR 1 -0.401 9.829 -2.626
385 H ARG 2 H ARG 2 -3.393 9.868 0.704
386 HA ARG 2 HA ARG 2 -4.244 9.186 3.327
387 1HB ARG 2 2HB ARG 2 -5.638 9.650 1.212
388 2HB ARG 2 1HB ARG 2 -5.157 8.046 0.594
389 1HG ARG 2 2HG ARG 2 -6.362 7.012 2.705
390 2HG ARG 2 1HG ARG 2 -6.780 8.701 3.100
391 1HD ARG 2 2HD ARG 2 -8.742 7.942 2.157
392 2HD ARG 2 1HD ARG 2 -7.991 9.031 0.979
393 HE ARG 2 HE ARG 2 -7.826 7.286 -0.498
394 1HH1 ARG 2 1HH2 ARG 2 -8.984 5.637 2.384
395 2HH1 ARG 2 2HH2 ARG 2 -9.956 4.584 1.412
396 1HH2 ARG 2 1HH1 ARG 2 -8.559 5.428 -1.408
397 2HH2 ARG 2 2HH1 ARG 2 -10.015 4.953 -0.817
398 H GLN 3 H GLN 3 -2.648 7.519 0.622
399 HA GLN 3 HA GLN 3 -2.611 4.869 1.460
400 1HB GLN 3 2HB GLN 3 -2.269 5.402 -0.979
401 2HB GLN 3 1HB GLN 3 -0.807 6.374 -0.592
402 1HG GLN 3 2HG GLN 3 -0.304 4.335 -1.670
403 2HG GLN 3 1HG GLN 3 0.528 4.518 -0.110
404 1HE2 GLN 3 1HE2 GLN 3 -0.670 1.482 1.163
405 2HE2 GLN 3 2HE2 GLN 3 0.686 2.559 0.903
406 H ALA 4 H ALA 4 -0.526 7.695 2.386
407 HA ALA 4 HA ALA 4 1.773 6.324 3.131
408 1HB ALA 4 1HB ALA 4 1.752 8.851 3.173
409 2HB ALA 4 3HB ALA 4 0.952 8.780 4.783
410 3HB ALA 4 2HB ALA 4 2.529 8.035 4.513
411 H ARG 5 H ARG 5 -1.179 7.437 4.981
412 HA ARG 5 HA ARG 5 -0.880 6.277 7.530
413 1HB ARG 5 2HB ARG 5 -3.466 7.132 6.145
414 2HB ARG 5 1HB ARG 5 -3.283 6.772 7.883
415 1HG ARG 5 2HG ARG 5 -1.535 8.702 8.005
416 2HG ARG 5 1HG ARG 5 -2.001 9.114 6.334
417 1HD ARG 5 2HD ARG 5 -3.714 9.183 8.886
418 2HD ARG 5 1HD ARG 5 -3.168 10.611 7.909
419 HE ARG 5 HE ARG 5 -5.330 8.624 7.152
420 1HH1 ARG 5 2HH2 ARG 5 -4.077 11.766 6.048
421 2HH1 ARG 5 1HH2 ARG 5 -5.355 11.671 4.897
422 1HH2 ARG 5 1HH1 ARG 5 -6.311 8.591 5.506
423 2HH2 ARG 5 2HH1 ARG 5 -6.709 10.112 4.770
424 H ARG 6 H ARG 6 -2.393 5.037 4.625
425 HA ARG 6 HA ARG 6 -3.668 2.593 5.494
426 1HB ARG 6 2HB ARG 6 -4.277 3.885 3.484
427 2HB ARG 6 1HB ARG 6 -2.734 3.330 2.768
428 1HG ARG 6 2HG ARG 6 -3.785 0.854 3.206
429 2HG ARG 6 1HG ARG 6 -5.325 1.702 3.515
430 1HD ARG 6 2HD ARG 6 -4.849 2.838 1.073
431 2HD ARG 6 1HD ARG 6 -3.396 1.879 1.200
432 HE ARG 6 HE ARG 6 -5.205 0.915 -0.405
433 1HH1 ARG 6 1HH1 ARG 6 -6.366 -0.179 2.746
434 2HH1 ARG 6 2HH1 ARG 6 -6.607 -1.715 2.039
435 1HH2 ARG 6 1HH2 ARG 6 -5.668 -1.052 -1.135
436 2HH2 ARG 6 2HH2 ARG 6 -6.159 -2.206 -0.035
437 H ASN 7 H ASN 7 -0.463 3.262 3.884
438 HA ASN 7 HA ASN 7 0.573 0.757 4.349
439 1HB ASN 7 2HB ASN 7 1.727 3.378 3.567
440 2HB ASN 7 1HB ASN 7 2.884 2.438 4.550
441 1HD2 ASN 7 1HD2 ASN 7 2.644 1.560 0.759
442 2HD2 ASN 7 2HD2 ASN 7 3.022 2.935 1.690
443 H ARG 8 H ARG 8 0.171 3.242 6.951
444 HA ARG 8 HA ARG 8 1.864 1.991 8.799
445 1HB ARG 8 2HB ARG 8 0.460 4.312 9.082
446 2HB ARG 8 1HB ARG 8 -0.782 3.302 9.788
447 1HG ARG 8 2HG ARG 8 0.372 3.893 11.737
448 2HG ARG 8 1HG ARG 8 1.194 2.367 11.385
449 1HD ARG 8 2HD ARG 8 2.212 5.257 11.208
450 2HD ARG 8 1HD ARG 8 2.988 3.814 11.960
451 HE ARG 8 HE ARG 8 3.706 3.115 9.641
452 1HH1 ARG 8 2HH2 ARG 8 2.387 6.372 9.430
453 2HH1 ARG 8 1HH2 ARG 8 2.733 6.342 7.712
454 1HH2 ARG 8 1HH1 ARG 8 4.081 3.176 7.776
455 2HH2 ARG 8 2HH1 ARG 8 3.939 4.571 6.878
456 H ARG 9 H ARG 9 -1.725 1.787 8.846
457 HA ARG 9 HA ARG 9 -1.773 -0.631 10.264
458 1HB ARG 9 2HB ARG 9 -4.019 1.005 9.039
459 2HB ARG 9 1HB ARG 9 -4.334 -0.693 9.418
460 1HG ARG 9 2HG ARG 9 -5.063 0.196 11.371
461 2HG ARG 9 1HG ARG 9 -3.417 -0.316 11.818
462 1HD ARG 9 2HD ARG 9 -3.752 1.797 12.849
463 2HD ARG 9 1HD ARG 9 -2.669 2.176 11.436
464 HE ARG 9 HE ARG 9 -5.335 2.311 10.461
465 1HH1 ARG 9 2HH2 ARG 9 -4.340 3.894 13.492
466 2HH1 ARG 9 1HH2 ARG 9 -5.544 5.084 13.126
467 1HH2 ARG 9 2HH1 ARG 9 -6.314 3.698 10.163
468 2HH2 ARG 9 1HH1 ARG 9 -6.940 4.455 11.455
469 H ARG 10 H ARG 10 -2.162 -0.255 6.650
470 HA ARG 10 HA ARG 10 -2.724 -2.956 6.106
471 1HB ARG 10 2HB ARG 10 -3.317 -2.364 4.146
472 2HB ARG 10 1HB ARG 10 -3.208 -0.741 4.731
473 1HG ARG 10 2HG ARG 10 -2.284 -0.541 2.605
474 2HG ARG 10 1HG ARG 10 -0.800 -0.633 3.577
475 1HD ARG 10 2HD ARG 10 -0.879 -1.914 1.282
476 2HD ARG 10 1HD ARG 10 -0.219 -2.824 2.639
477 HE ARG 10 HE ARG 10 -2.968 -3.154 1.434
478 1HH1 ARG 10 1HH1 ARG 10 -0.586 -4.837 3.307
479 2HH1 ARG 10 2HH1 ARG 10 -1.813 -5.749 4.186
480 1HH2 ARG 10 1HH2 ARG 10 -4.223 -4.968 2.259
481 2HH2 ARG 10 2HH2 ARG 10 -3.640 -5.598 3.820
482 H ARG 11 H ARG 11 -0.697 -2.875 7.853
483 HA ARG 11 HA ARG 11 1.389 -4.595 7.040
484 1HB ARG 11 2HB ARG 11 2.290 -1.818 8.056
485 2HB ARG 11 1HB ARG 11 3.287 -3.320 8.167
486 1HG ARG 11 2HG ARG 11 2.821 -3.445 5.555
487 2HG ARG 11 1HG ARG 11 2.400 -1.739 5.746
488 1HD ARG 11 2HD ARG 11 4.937 -1.489 6.725
489 2HD ARG 11 1HD ARG 11 5.129 -3.185 6.218
490 HE ARG 11 HE ARG 11 4.423 -0.830 4.496
491 1HH1 ARG 11 2HH2 ARG 11 4.883 -4.331 4.604
492 2HH1 ARG 11 1HH2 ARG 11 4.928 -4.601 2.952
493 1HH2 ARG 11 2HH1 ARG 11 4.620 -1.191 2.149
494 2HH2 ARG 11 1HH1 ARG 11 4.920 -2.815 1.583
495 H TRP 12 H TRP 12 1.027 -2.251 9.818
496 HA TRP 12 HA TRP 12 1.279 -4.293 11.727
497 1HB TRP 12 2HB TRP 12 0.665 -1.313 12.018
498 2HB TRP 12 1HB TRP 12 1.114 -2.397 13.373
499 HD1 TRP 12 HD1 TRP 12 2.835 -0.819 10.120
500 HE1 TRP 12 HE1 TRP 12 5.349 -0.800 10.531
501 HE3 TRP 12 HE3 TRP 12 2.915 -3.279 14.609
502 HZ2 TRP 12 HZ2 TRP 12 7.160 -1.589 12.572
503 HZ3 TRP 12 HZ3 TRP 12 5.098 -3.588 15.745
504 HH2 TRP 12 HH2 TRP 12 7.171 -2.754 14.744
505 H ARG 13 H ARG 13 -1.685 -3.367 10.293
506 HA ARG 13 HA ARG 13 -3.288 -4.547 12.426
507 1HB ARG 13 2HB ARG 13 -3.906 -2.371 11.432
508 2HB ARG 13 1HB ARG 13 -4.055 -3.098 9.818
509 1HG ARG 13 2HG ARG 13 -5.786 -4.281 12.014
510 2HG ARG 13 1HG ARG 13 -6.122 -2.581 11.608
511 1HD ARG 13 2HD ARG 13 -6.134 -4.891 9.530
512 2HD ARG 13 1HD ARG 13 -7.580 -4.312 10.460
513 HE ARG 13 HE ARG 13 -6.720 -1.940 9.232
514 1HH1 ARG 13 2HH1 ARG 13 -8.181 -4.988 8.092
515 2HH1 ARG 13 1HH1 ARG 13 -9.070 -4.017 7.044
516 1HH2 ARG 13 1HH2 ARG 13 -7.585 -1.081 8.038
517 2HH2 ARG 13 2HH2 ARG 13 -8.504 -1.662 6.748
518 H GLU 14 H GLU 14 -1.705 -5.403 9.472
519 HA GLU 14 HA GLU 14 -3.308 -7.351 8.283
520 1HB GLU 14 2HB GLU 14 -0.321 -6.974 8.024
521 2HB GLU 14 1HB GLU 14 -1.456 -7.853 6.948
522 1HG GLU 14 2HG GLU 14 -1.651 -4.817 7.546
523 2HG GLU 14 1HG GLU 14 -0.926 -5.578 6.057
524 H ARG 15 H ARG 15 -1.084 -7.396 10.916
525 HA ARG 15 HA ARG 15 -0.566 -10.156 11.223
526 1HB ARG 15 2HB ARG 15 -0.173 -7.572 12.780
527 2HB ARG 15 1HB ARG 15 -0.309 -9.021 13.801
528 1HG ARG 15 2HG ARG 15 2.032 -8.711 13.447
529 2HG ARG 15 1HG ARG 15 1.529 -10.120 12.472
530 1HD ARG 15 2HD ARG 15 3.105 -8.901 11.162
531 2HD ARG 15 1HD ARG 15 1.498 -8.624 10.368
532 HE ARG 15 HE ARG 15 2.028 -6.629 12.393
533 1HH1 ARG 15 2HH2 ARG 15 3.044 -7.236 9.046
534 2HH1 ARG 15 1HH2 ARG 15 4.308 -6.100 9.144
535 1HH2 ARG 15 2HH1 ARG 15 3.702 -5.192 12.510
536 2HH2 ARG 15 1HH1 ARG 15 4.724 -5.059 11.148
537 H GLN 16 H GLN 16 -3.508 -8.543 11.542
538 HA GLN 16 HA GLN 16 -4.788 -10.569 13.243
539 1HB GLN 16 2HB GLN 16 -5.797 -7.704 12.669
540 2HB GLN 16 1HB GLN 16 -6.711 -8.964 13.540
541 1HG GLN 16 2HG GLN 16 -5.867 -7.385 15.152
542 2HG GLN 16 1HG GLN 16 -4.982 -8.930 15.393
543 1HE2 GLN 16 2HE2 GLN 16 -1.935 -7.144 15.136
544 2HE2 GLN 16 1HE2 GLN 16 -2.873 -8.418 15.910
545 H ARG 17 H ARG 17 -5.679 -8.342 10.579
546 HA ARG 17 HA ARG 17 -7.680 -9.647 9.230
547 1HB ARG 17 2HB ARG 17 -6.921 -7.419 8.623
548 2HB ARG 17 1HB ARG 17 -5.321 -8.067 8.164
549 1HG ARG 17 2HG ARG 17 -6.468 -9.333 6.250
550 2HG ARG 17 1HG ARG 17 -7.999 -8.481 6.641
551 1HD ARG 17 2HD ARG 17 -7.018 -6.340 6.065
552 2HD ARG 17 1HD ARG 17 -5.342 -7.004 6.164
553 HE ARG 17 HE ARG 17 -7.279 -7.525 3.866
554 1HH1 ARG 17 1HH2 ARG 17 -3.893 -7.731 4.761
555 2HH1 ARG 17 2HH2 ARG 17 -3.466 -8.349 3.366
556 1HH2 ARG 17 2HH1 ARG 17 -6.385 -7.587 1.858
557 2HH2 ARG 17 1HH1 ARG 17 -4.764 -7.851 1.683
No H/Q in entry = 557
Start of MODEL 3
1 H4* G 1 H4* G 1 6.793 -10.874 2.153
2 H3* G 1 H3* G 1 5.740 -8.280 3.483
3 1H2* G 1 1H2* G 1 7.540 -7.140 2.862
4 2HO* G 1 2HO* G 1 8.878 -9.517 3.391
5 H1* G 1 H1* G 1 8.463 -9.068 0.838
6 H8 G 1 H8 G 1 5.681 -6.626 0.415
7 H1 G 1 H1 G 1 11.346 -4.936 -2.183
8 1H2 G 1 1H2 G 1 12.896 -6.336 -1.434
9 2H2 G 1 2H2 G 1 12.447 -7.801 -0.559
10 1H5* G 2 1H5* G 2 8.866 -9.127 7.142
11 2H5* G 2 2H5* G 2 7.936 -8.568 8.547
12 H4* G 2 H4* G 2 9.553 -6.981 8.476
13 H3* G 2 H3* G 2 7.644 -5.743 6.452
14 1H2* G 2 1H2* G 2 8.986 -3.997 6.312
15 2HO* G 2 2HO* G 2 9.356 -3.444 8.408
16 H1* G 2 H1* G 2 11.395 -5.328 6.700
17 H8 G 2 H8 G 2 8.903 -6.264 4.017
18 H1 G 2 H1 G 2 13.321 -2.141 1.893
19 1H2 G 2 1H2 G 2 14.649 -1.505 3.492
20 2H2 G 2 2H2 G 2 14.426 -2.015 5.141
21 1H5* C 3 1H5* C 3 9.143 -2.366 9.878
22 2H5* C 3 2H5* C 3 7.596 -1.491 10.132
23 H4* C 3 H4* C 3 9.568 -0.016 9.544
24 H3* C 3 H3* C 3 7.273 -0.106 7.467
25 1H2* C 3 1H2* C 3 8.344 1.884 6.469
26 2HO* C 3 2HO* C 3 9.014 2.781 8.424
27 H1* C 3 H1* C 3 10.631 0.732 6.328
28 1H4 C 3 1H4 C 3 8.780 -1.869 0.856
29 2H4 C 3 2H4 C 3 7.764 -3.166 1.402
30 H5 C 3 H5 C 3 7.783 -3.419 4.072
31 H6 C 3 H6 C 3 8.431 -2.173 6.239
32 1H5* U 4 1H5* U 4 9.092 4.638 8.945
33 2H5* U 4 2H5* U 4 7.745 5.701 9.403
34 H4* U 4 H4* U 4 8.554 6.281 7.222
35 H3* U 4 H3* U 4 5.799 4.966 7.142
36 1H2* U 4 1H2* U 4 5.680 5.203 4.891
37 2HO* U 4 2HO* U 4 6.177 7.523 4.865
38 H1* U 4 H1* U 4 8.427 5.435 4.407
39 H3 U 4 H3 U 4 7.877 2.370 1.234
40 H5 U 4 H5 U 4 6.110 0.497 4.542
41 H6 U 4 H6 U 4 6.673 2.509 5.846
42 1H5* G 5 1H5* G 5 3.642 10.047 4.975
43 2H5* G 5 2H5* G 5 3.396 8.339 4.521
44 H4* G 5 H4* G 5 5.426 10.307 3.165
45 H3* G 5 H3* G 5 2.589 10.240 2.650
46 1H2* G 5 1H2* G 5 2.674 7.896 2.485
47 2HO* G 5 2HO* G 5 2.438 9.603 0.361
48 H1* G 5 H1* G 5 4.781 8.041 0.401
49 H8 G 5 H8 G 5 4.107 6.374 3.715
50 H1 G 5 H1 G 5 4.965 1.996 -0.885
51 1H2 G 5 1H2 G 5 5.268 2.790 -2.740
52 2H2 G 5 2H2 G 5 5.498 4.525 -3.042
53 1H5* G 6 1H5* G 6 5.713 11.261 -1.603
54 2H5* G 6 2H5* G 6 4.831 12.557 -2.494
55 H4* G 6 H4* G 6 5.284 10.804 -4.089
56 H3* G 6 H3* G 6 2.401 10.375 -3.056
57 1H2* G 6 1H2* G 6 2.105 8.956 -4.763
58 2HO* G 6 2HO* G 6 3.164 10.120 -6.256
59 H1* G 6 H1* G 6 4.687 7.787 -4.480
60 H8 G 6 H8 G 6 2.949 8.015 -1.251
61 H1 G 6 H1 G 6 2.445 2.372 -4.301
62 1H2 G 6 1H2 G 6 3.844 2.686 -6.461
63 2H2 G 6 2H2 G 6 3.923 4.390 -6.909
64 1H5* A 7 1H5* A 7 -1.257 10.119 -6.105
65 2H5* A 7 2H5* A 7 -0.093 9.387 -4.957
66 H4* A 7 H4* A 7 0.780 9.379 -7.892
67 H3* A 7 H3* A 7 -1.427 7.610 -6.731
68 1H2* A 7 1H2* A 7 -0.808 5.858 -8.289
69 2HO* A 7 2HO* A 7 0.694 7.834 -9.554
70 H1* A 7 H1* A 7 1.827 6.121 -7.521
71 H8 A 7 H8 A 7 0.483 6.946 -4.354
72 1H6 A 7 1H6 A 7 -1.094 2.952 -2.534
73 2H6 A 7 2H6 A 7 -1.759 1.462 -3.282
74 H2 A 7 H2 A 7 -0.888 1.495 -7.554
75 1H5* C 8 1H5* C 8 -1.580 7.241 -10.615
76 2H5* C 8 2H5* C 8 -2.803 7.461 -11.889
77 H4* C 8 H4* C 8 -2.294 5.026 -11.552
78 H3* C 8 H3* C 8 -5.045 6.070 -10.654
79 1H2* C 8 1H2* C 8 -5.665 4.128 -9.888
80 2HO* C 8 2HO* C 8 -5.727 2.874 -11.415
81 H1* C 8 H1* C 8 -3.125 2.965 -9.654
82 1H4 C 8 1H4 C 8 -5.387 1.765 -3.789
83 2H4 C 8 2H4 C 8 -4.642 3.232 -3.293
84 H5 C 8 H5 C 8 -3.670 4.833 -4.776
85 H6 C 8 H6 C 8 -3.166 5.385 -7.087
86 1H5* U 9 1H5* U 9 -8.286 4.953 -13.688
87 2H5* U 9 2H5* U 9 -7.198 5.455 -12.374
88 H4* U 9 H4* U 9 -8.903 2.807 -12.453
89 H3* U 9 H3* U 9 -8.945 5.325 -10.747
90 1H2* U 9 1H2* U 9 -9.989 4.077 -9.223
91 2HO* U 9 2HO* U 9 -11.301 2.447 -9.709
92 H1* U 9 H1* U 9 -8.775 1.586 -9.865
93 H3 U 9 H3 U 9 -8.572 1.880 -5.260
94 H5 U 9 H5 U 9 -6.644 5.411 -6.714
95 H6 U 9 H6 U 9 -7.098 4.710 -8.859
96 1H5* C 10 1H5* C 10 -14.196 5.143 -9.683
97 2H5* C 10 2H5* C 10 -12.522 5.280 -9.074
98 H4* C 10 H4* C 10 -13.755 2.479 -9.696
99 H3* C 10 H3* C 10 -14.054 4.267 -7.245
100 1H2* C 10 1H2* C 10 -13.984 2.448 -5.736
101 2HO* C 10 2HO* C 10 -14.991 0.929 -7.609
102 H1* C 10 H1* C 10 -11.900 1.343 -6.835
103 1H4 C 10 1H4 C 10 -10.277 5.225 -2.234
104 2H4 C 10 2H4 C 10 -9.458 6.479 -3.184
105 H5 C 10 H5 C 10 -9.958 6.272 -5.853
106 H6 C 10 H6 C 10 -10.982 4.602 -7.560
107 1H5* G 11 1H5* G 11 -19.261 3.692 -6.601
108 2H5* G 11 2H5* G 11 -17.532 4.121 -6.474
109 H4* G 11 H4* G 11 -18.687 1.480 -5.300
110 H3* G 11 H3* G 11 -18.373 4.303 -4.201
111 1H2* G 11 1H2* G 11 -17.848 3.372 -1.938
112 2HO* G 11 2HO* G 11 -19.431 1.719 -2.847
113 H1* G 11 H1* G 11 -16.195 1.593 -2.837
114 H8 G 11 H8 G 11 -15.015 4.089 -5.375
115 H1 G 11 H1 G 11 -13.469 6.035 0.536
116 1H2 G 11 1H2 G 11 -14.404 4.906 2.047
117 2H2 G 11 2H2 G 11 -15.535 3.602 1.792
118 1H5* U 12 1H5* U 12 -21.419 3.082 -1.259
119 2H5* U 12 2H5* U 12 -22.460 4.482 -0.880
120 H4* U 12 H4* U 12 -20.929 3.669 0.989
121 H3* U 12 H3* U 12 -20.584 6.559 0.065
122 1H2* U 12 1H2* U 12 -19.074 6.932 1.900
123 2HO* U 12 2HO* U 12 -20.487 5.177 2.970
124 H1* U 12 H1* U 12 -17.621 4.720 1.382
125 H3 U 12 H3 U 12 -15.364 8.402 -0.493
126 H5 U 12 H5 U 12 -17.361 6.458 -3.675
127 H6 U 12 H6 U 12 -18.569 5.158 -1.915
128 1H5* A 13 1H5* A 13 -20.939 7.367 4.212
129 2H5* A 13 2H5* A 13 -22.278 8.495 4.576
130 H4* A 13 H4* A 13 -20.143 9.288 5.557
131 H3* A 13 H3* A 13 -21.081 10.831 3.194
132 1H2* A 13 1H2* A 13 -19.132 12.367 3.301
133 2HO* A 13 2HO* A 13 -18.766 13.143 5.047
134 H1* A 13 H1* A 13 -17.410 10.656 4.032
135 H8 A 13 H8 A 13 -18.976 8.791 1.316
136 1H6 A 13 1H6 A 13 -15.688 12.178 -2.754
137 2H6 A 13 2H6 A 13 -16.534 10.679 -2.471
138 H2 A 13 H2 A 13 -15.522 14.217 1.345
139 1H5* C 14 1H5* C 14 -20.938 14.212 6.558
140 2H5* C 14 2H5* C 14 -22.047 15.604 6.283
141 H4* C 14 H4* C 14 -19.690 16.284 5.657
142 H3* C 14 H3* C 14 -21.399 15.853 3.347
143 1H2* C 14 1H2* C 14 -19.398 17.127 2.150
144 2HO* C 14 2HO* C 14 -18.814 18.060 4.510
145 H1* C 14 H1* C 14 -17.809 15.459 3.157
146 1H4 C 14 1H4 C 14 -18.770 13.328 -2.438
147 2H4 C 14 2H4 C 14 -20.354 12.603 -2.288
148 H5 C 14 H5 C 14 -21.039 12.302 0.315
149 H6 C 14 H6 C 14 -20.568 13.383 2.591
150 1H5* U 15 1H5* U 15 -18.827 20.387 3.003
151 2H5* U 15 2H5* U 15 -20.071 21.624 2.642
152 H4* U 15 H4* U 15 -18.626 20.893 0.627
153 H3* U 15 H3* U 15 -21.593 20.099 0.510
154 1H2* U 15 1H2* U 15 -21.613 19.536 -1.494
155 2HO* U 15 2HO* U 15 -20.570 21.260 -2.292
156 H1* U 15 H1* U 15 -19.048 18.364 -1.309
157 H3 U 15 H3 U 15 -22.012 15.103 -2.383
158 H5 U 15 H5 U 15 -22.558 16.043 1.822
159 H6 U 15 H6 U 15 -21.088 17.768 1.491
160 1H5* U 16 1H5* U 16 -23.442 23.296 -3.268
161 2H5* U 16 2H5* U 16 -22.986 21.637 -3.776
162 H4* U 16 H4* U 16 -22.482 23.389 -5.248
163 H3* U 16 H3* U 16 -20.726 21.317 -5.312
164 1H2* U 16 1H2* U 16 -19.092 22.043 -3.857
165 2HO* U 16 2HO* U 16 -19.030 22.687 -6.481
166 H1* U 16 H1* U 16 -19.353 24.674 -5.209
167 H3 U 16 H3 U 16 -15.911 26.170 -2.292
168 H5 U 16 H5 U 16 -18.170 23.493 0.079
169 H6 U 16 H6 U 16 -19.644 23.178 -1.938
170 1H5* C 17 1H5* C 17 -19.247 21.069 -7.603
171 2H5* C 17 2H5* C 17 -19.164 20.813 -9.335
172 H4* C 17 H4* C 17 -19.316 18.720 -8.446
173 H3* C 17 H3* C 17 -21.959 19.678 -9.531
174 1H2* C 17 1H2* C 17 -23.094 19.035 -7.598
175 2HO* C 17 2HO* C 17 -22.667 16.537 -8.953
176 H1* C 17 H1* C 17 -20.940 17.085 -7.033
177 1H4 C 17 1H4 C 17 -24.036 18.200 -1.313
178 2H4 C 17 2H4 C 17 -24.819 16.781 -1.944
179 H5 C 17 H5 C 17 -22.625 19.740 -3.198
180 H6 C 17 H6 C 17 -21.764 19.703 -5.170
181 1H5* G 18 1H5* G 18 -16.261 16.747 -10.677
182 2H5* G 18 2H5* G 18 -16.824 16.729 -8.968
183 H4* G 18 H4* G 18 -16.627 19.259 -10.664
184 H3* G 18 H3* G 18 -14.236 18.722 -8.799
185 1H2* G 18 1H2* G 18 -14.126 20.755 -8.204
186 2HO* G 18 2HO* G 18 -14.305 21.592 -10.445
187 H1* G 18 H1* G 18 -16.976 21.360 -8.439
188 H8 G 18 H8 G 18 -15.270 22.042 -6.091
189 H1 G 18 H1 G 18 -18.899 17.455 -3.292
190 1H2 G 18 1H2 G 18 -19.403 16.226 -6.264
191 2H2 G 18 2H2 G 18 -19.646 16.158 -4.510
192 1H5* G 19 1H5* G 19 -10.432 18.589 -8.607
193 2H5* G 19 2H5* G 19 -12.017 17.805 -8.808
194 H4* G 19 H4* G 19 -11.392 20.066 -6.743
195 H3* G 19 H3* G 19 -11.683 17.020 -6.399
196 1H2* G 19 1H2* G 19 -12.323 17.507 -4.061
197 2HO* G 19 2HO* G 19 -11.012 18.786 -3.247
198 H1* G 19 H1* G 19 -13.738 19.540 -4.642
199 H8 G 19 H8 G 19 -15.060 16.937 -7.216
200 H1 G 19 H1 G 19 -17.110 15.558 -1.296
201 1H2 G 19 1H2 G 19 -16.246 16.967 0.219
202 2H2 G 19 2H2 G 19 -14.839 18.008 -0.156
203 1H5* U 20 1H5* U 20 -8.228 18.544 -3.593
204 2H5* U 20 2H5* U 20 -7.134 17.335 -2.862
205 H4* U 20 H4* U 20 -8.825 18.363 -1.209
206 H3* U 20 H3* U 20 -8.807 15.365 -1.779
207 1H2* U 20 1H2* U 20 -10.487 14.939 -0.543
208 2HO* U 20 2HO* U 20 -9.901 15.813 1.379
209 H1* U 20 H1* U 20 -11.912 17.424 -0.724
210 H3 U 20 H3 U 20 -14.699 13.784 -1.467
211 H5 U 20 H5 U 20 -12.662 14.321 -5.121
212 H6 U 20 H6 U 20 -11.230 15.977 -3.911
213 1H5* A 21 1H5* A 21 -8.788 16.145 2.928
214 2H5* A 21 2H5* A 21 -7.714 14.930 3.624
215 H4* A 21 H4* A 21 -10.035 15.020 4.671
216 H3* A 21 H3* A 21 -9.292 12.438 3.275
217 1H2* A 21 1H2* A 21 -11.219 11.442 3.727
218 2HO* A 21 2HO* A 21 -11.903 11.491 5.721
219 H1* A 21 H1* A 21 -12.915 13.520 3.502
220 H8 A 21 H8 A 21 -10.630 13.632 0.687
221 1H6 A 21 1H6 A 21 -14.006 9.063 -2.119
222 2H6 A 21 2H6 A 21 -12.796 10.293 -2.410
223 H2 A 21 H2 A 21 -15.244 9.504 2.222
224 1H5* C 22 1H5* C 22 -10.964 10.737 7.236
225 2H5* C 22 2H5* C 22 -9.783 9.550 7.832
226 H4* C 22 H4* C 22 -12.087 8.659 7.864
227 H3* C 22 H3* C 22 -10.176 7.291 5.970
228 1H2* C 22 1H2* C 22 -11.739 5.910 5.003
229 2HO* C 22 2HO* C 22 -13.079 4.883 6.096
230 H1* C 22 H1* C 22 -13.924 7.724 4.910
231 1H4 C 22 1H4 C 22 -11.434 8.021 -0.828
232 2H4 C 22 2H4 C 22 -10.330 9.321 -0.334
233 H5 C 22 H5 C 22 -10.403 10.191 1.899
234 H6 C 22 H6 C 22 -11.215 9.727 4.224
235 1H5* U 23 1H5* U 23 -7.244 5.078 6.644
236 2H5* U 23 2H5* U 23 -8.862 5.635 6.145
237 H4* U 23 H4* U 23 -9.691 3.219 6.964
238 H3* U 23 H3* U 23 -6.642 2.968 6.796
239 1H2* U 23 1H2* U 23 -6.604 2.313 4.778
240 2HO* U 23 2HO* U 23 -7.938 0.051 5.778
241 H1* U 23 H1* U 23 -9.593 1.523 4.610
242 H3 U 23 H3 U 23 -9.012 1.546 -0.083
243 H5 U 23 H5 U 23 -6.521 4.689 1.289
244 H6 U 23 H6 U 23 -7.231 4.091 3.587
245 1H5* G 24 1H5* G 24 -9.877 2.946 9.512
246 2H5* G 24 2H5* G 24 -10.248 1.439 10.456
247 H4* G 24 H4* G 24 -12.615 1.466 9.681
248 H3* G 24 H3* G 24 -11.741 3.695 7.967
249 1H2* G 24 1H2* G 24 -12.109 5.034 9.551
250 2HO* G 24 2HO* G 24 -13.821 5.513 8.078
251 H1* G 24 H1* G 24 -14.225 3.365 11.029
252 H8 G 24 H8 G 24 -11.044 4.809 11.827
253 H1 G 24 H1 G 24 -15.681 7.867 15.003
254 1H2 G 24 1H2 G 24 -17.846 5.986 13.098
255 2H2 G 24 2H2 G 24 -17.645 7.177 14.368
256 1H5* G 25 1H5* G 25 -14.457 -0.402 6.606
257 2H5* G 25 2H5* G 25 -12.793 -1.055 6.758
258 H4* G 25 H4* G 25 -14.249 -1.839 4.740
259 H3* G 25 H3* G 25 -11.503 -0.571 4.164
260 1H2* G 25 1H2* G 25 -11.776 -0.984 1.930
261 2HO* G 25 2HO* G 25 -12.702 -2.895 1.286
262 H1* G 25 H1* G 25 -14.514 -0.436 1.788
263 H8 G 25 H8 G 25 -12.397 1.999 3.912
264 H1 G 25 H1 G 25 -12.143 2.890 -2.437
265 1H2 G 25 1H2 G 25 -13.338 1.081 -3.509
266 2H2 G 25 2H2 G 25 -14.264 -0.058 -2.522
267 1H5* A 26 1H5* A 26 -12.654 -5.083 2.226
268 2H5* A 26 2H5* A 26 -11.248 -6.188 2.163
269 H4* A 26 H4* A 26 -12.335 -5.813 -0.090
270 H3* A 26 H3* A 26 -9.555 -4.581 0.100
271 1H2* A 26 1H2* A 26 -9.606 -4.168 -2.151
272 2HO* A 26 2HO* A 26 -10.345 -5.657 -3.488
273 H1* A 26 H1* A 26 -12.183 -3.493 -2.314
274 H8 A 26 H8 A 26 -10.567 -1.738 0.562
275 1H6 A 26 1H6 A 26 -8.068 2.407 -3.437
276 2H6 A 26 2H6 A 26 -8.187 1.923 -1.827
277 H2 A 26 H2 A 26 -9.902 -1.035 -5.814
278 1H5* G 27 1H5* G 27 -9.973 -7.869 -3.071
279 2H5* G 27 2H5* G 27 -8.583 -8.986 -3.248
280 H4* G 27 H4* G 27 -9.021 -7.866 -5.502
281 H3* G 27 H3* G 27 -6.493 -7.020 -4.076
282 1H2* G 27 1H2* G 27 -5.867 -5.838 -6.089
283 2HO* G 27 2HO* G 27 -6.782 -7.593 -7.374
284 H1* G 27 H1* G 27 -8.317 -4.719 -6.429
285 H8 G 27 H8 G 27 -8.071 -4.899 -2.746
286 H1 G 27 H1 G 27 -5.399 0.345 -5.447
287 1H2 G 27 1H2 G 27 -5.309 0.178 -7.400
288 2H2 G 27 2H2 G 27 -5.651 -1.291 -8.280
289 1H5* A 28 1H5* A 28 -4.391 -6.962 -4.979
290 2H5* A 28 2H5* A 28 -2.791 -7.646 -5.245
291 H4* A 28 H4* A 28 -2.457 -8.136 -2.885
292 H3* A 28 H3* A 28 -5.107 -7.926 -2.089
293 1H2* A 28 1H2* A 28 -5.432 -5.556 -2.674
294 2HO* A 28 2HO* A 28 -5.910 -5.471 -0.545
295 H1* A 28 H1* A 28 -2.705 -4.883 -1.500
296 H8 A 28 H8 A 28 -4.210 -5.032 -5.056
297 1H6 A 28 1H6 A 28 -3.276 -0.686 -6.525
298 2H6 A 28 2H6 A 28 -2.336 0.638 -5.782
299 H2 A 28 H2 A 28 -2.086 -0.102 -1.423
300 1H5* A 29 1H5* A 29 -0.654 -9.603 0.002
301 2H5* A 29 2H5* A 29 -0.865 -10.295 1.655
302 H4* A 29 H4* A 29 -0.777 -7.264 1.090
303 H3* A 29 H3* A 29 1.442 -9.319 1.256
304 1H2* A 29 1H2* A 29 2.482 -8.590 3.021
305 2HO* A 29 2HO* A 29 1.978 -6.080 1.935
306 H1* A 29 H1* A 29 0.576 -6.896 4.257
307 H8 A 29 H8 A 29 -0.443 -10.291 4.023
308 1H6 A 29 1H6 A 29 2.672 -11.174 9.366
309 2H6 A 29 2H6 A 29 1.527 -11.888 8.211
310 H2 A 29 H2 A 29 3.602 -7.037 7.585
311 1H5* A 30 1H5* A 30 1.508 -8.168 -2.762
312 2H5* A 30 2H5* A 30 3.231 -7.807 -3.113
313 H4* A 30 H4* A 30 1.549 -7.503 -5.066
314 H3* A 30 H3* A 30 3.590 -5.572 -4.231
315 1H2* A 30 1H2* A 30 2.725 -3.729 -4.735
316 2HO* A 30 2HO* A 30 2.974 -3.795 -6.821
317 H1* A 30 H1* A 30 -0.075 -4.465 -5.535
318 H8 A 30 H8 A 30 0.222 -4.892 -1.941
319 1H6 A 30 1H6 A 30 0.974 1.212 -1.272
320 2H6 A 30 2H6 A 30 0.649 -0.200 -0.253
321 H2 A 30 H2 A 30 1.484 0.483 -5.413
322 1H5* C 31 1H5* C 31 7.360 -4.510 -6.350
323 2H5* C 31 2H5* C 31 6.177 -4.549 -5.023
324 H4* C 31 H4* C 31 5.267 -3.365 -7.731
325 H3* C 31 H3* C 31 7.144 -2.107 -5.708
326 1H2* C 31 1H2* C 31 6.071 0.129 -6.077
327 2HO* C 31 2HO* C 31 5.561 -0.793 -8.446
328 H1* C 31 H1* C 31 3.706 -0.772 -5.794
329 1H4 C 31 1H4 C 31 4.851 0.166 0.624
330 2H4 C 31 2H4 C 31 4.859 -1.596 0.636
331 H5 C 31 H5 C 31 4.743 -2.962 -1.179
332 H6 C 31 H6 C 31 4.695 -3.138 -3.619
333 1H5* A 32 1H5* A 32 7.795 1.291 -9.061
334 2H5* A 32 2H5* A 32 9.557 1.068 -9.378
335 H4* A 32 H4* A 32 9.081 3.355 -8.482
336 H3* A 32 H3* A 32 10.534 1.460 -6.541
337 1H2* A 32 1H2* A 32 10.799 3.377 -4.979
338 2HO* A 32 2HO* A 32 10.895 4.544 -7.128
339 H1* A 32 H1* A 32 8.338 4.194 -5.202
340 H8 A 32 H8 A 32 7.877 0.494 -5.543
341 1H6 A 32 1H6 A 32 7.554 -0.023 0.452
342 2H6 A 32 2H6 A 32 7.568 -0.630 -1.204
343 H2 A 32 H2 A 32 9.087 4.351 -0.532
344 1H5* G 33 1H5* G 33 14.064 4.555 -6.821
345 2H5* G 33 2H5* G 33 15.469 3.515 -6.433
346 H4* G 33 H4* G 33 14.795 5.332 -4.769
347 H3* G 33 H3* G 33 15.062 2.425 -3.799
348 1H2* G 33 1H2* G 33 14.766 3.352 -1.501
349 2HO* G 33 2HO* G 33 15.916 5.291 -2.608
350 H1* G 33 H1* G 33 12.768 4.813 -2.071
351 H8 G 33 H8 G 33 12.013 1.953 -4.437
352 H1 G 33 H1 G 33 10.668 0.648 1.757
353 1H2 G 33 1H2 G 33 11.275 2.175 3.004
354 2H2 G 33 2H2 G 33 12.369 3.482 2.505
355 1H5* C 34 1H5* C 34 18.496 3.904 -1.169
356 2H5* C 34 2H5* C 34 19.895 2.896 -1.662
357 H4* C 34 H4* C 34 19.672 2.752 0.723
358 H3* C 34 H3* C 34 18.535 0.269 -0.652
359 1H2* C 34 1H2* C 34 18.287 -0.784 1.467
360 2HO* C 34 2HO* C 34 20.235 0.472 2.038
361 H1* C 34 H1* C 34 16.946 1.447 2.498
362 1H4 C 34 1H4 C 34 12.623 -2.258 -0.789
363 2H4 C 34 2H4 C 34 12.439 -0.929 -1.914
364 H5 C 34 H5 C 34 14.140 0.791 -2.051
365 H6 C 34 H6 C 34 15.906 1.951 -0.944
366 1H5* C 35 1H5* C 35 20.242 -3.147 -0.981
367 2H5* C 35 2H5* C 35 18.898 -2.227 -0.272
368 H4* C 35 H4* C 35 18.610 -4.385 -1.622
369 H3* C 35 H3* C 35 18.688 -2.461 -4.008
370 1H2* C 35 1H2* C 35 16.972 -3.599 -5.008
371 2HO* C 35 2HO* C 35 18.330 -5.522 -4.251
372 H1* C 35 H1* C 35 16.094 -4.793 -2.445
373 1H4 C 35 1H4 C 35 10.306 -3.260 -3.882
374 2H4 C 35 2H4 C 35 10.642 -2.292 -5.246
375 H5 C 35 H5 C 35 13.128 -1.442 -5.528
376 H6 C 35 H6 C 35 15.466 -1.912 -4.762
377 1H THR 1 1H THR 1 0.064 11.586 -0.315
378 2H THR 1 2H THR 1 -0.322 11.800 -1.931
379 HA THR 1 HA THR 1 -2.787 11.475 -1.243
380 HB THR 1 HB THR 1 -1.643 10.344 -2.967
381 HG1 THR 1 1HG THR 1 -3.029 8.760 -3.187
382 1HG2 THR 1 3HG2 THR 1 0.316 9.374 -1.661
383 2HG2 THR 1 2HG2 THR 1 -0.733 8.052 -1.080
384 3HG2 THR 1 1HG2 THR 1 -0.431 8.288 -2.848
385 H ARG 2 H ARG 2 -4.262 9.465 -0.448
386 HA ARG 2 HA ARG 2 -4.134 9.361 2.410
387 1HB ARG 2 2HB ARG 2 -6.323 9.679 1.495
388 2HB ARG 2 1HB ARG 2 -6.143 8.391 0.293
389 1HG ARG 2 2HG ARG 2 -6.671 6.695 1.752
390 2HG ARG 2 1HG ARG 2 -6.236 7.567 3.257
391 1HD ARG 2 2HD ARG 2 -8.288 8.927 3.224
392 2HD ARG 2 1HD ARG 2 -8.817 8.327 1.633
393 HE ARG 2 HE ARG 2 -9.439 7.164 3.993
394 1HH1 ARG 2 2HH1 ARG 2 -8.967 5.940 0.589
395 2HH1 ARG 2 1HH1 ARG 2 -10.346 5.058 0.830
396 1HH2 ARG 2 1HH2 ARG 2 -10.043 4.670 3.925
397 2HH2 ARG 2 2HH2 ARG 2 -10.951 4.386 2.616
398 H GLN 3 H GLN 3 -2.969 7.370 -0.203
399 HA GLN 3 HA GLN 3 -2.970 4.871 1.024
400 1HB GLN 3 2HB GLN 3 -0.841 5.451 -1.101
401 2HB GLN 3 1HB GLN 3 -1.465 3.901 -0.503
402 1HG GLN 3 2HG GLN 3 -2.569 5.705 -2.602
403 2HG GLN 3 1HG GLN 3 -2.712 3.949 -2.393
404 1HE2 GLN 3 1HE2 GLN 3 -5.840 6.210 -1.178
405 2HE2 GLN 3 2HE2 GLN 3 -4.420 6.925 -1.859
406 H ALA 4 H ALA 4 -0.799 7.424 1.567
407 HA ALA 4 HA ALA 4 1.422 6.475 2.779
408 1HB ALA 4 2HB ALA 4 0.635 8.945 2.565
409 2HB ALA 4 1HB ALA 4 -0.448 8.722 3.952
410 3HB ALA 4 3HB ALA 4 1.334 8.594 4.168
411 H ARG 5 H ARG 5 -1.710 6.988 4.372
412 HA ARG 5 HA ARG 5 -1.151 5.734 6.836
413 1HB ARG 5 2HB ARG 5 -3.848 6.801 5.795
414 2HB ARG 5 1HB ARG 5 -3.416 6.224 7.449
415 1HG ARG 5 2HG ARG 5 -1.655 8.106 7.515
416 2HG ARG 5 1HG ARG 5 -2.395 8.749 6.016
417 1HD ARG 5 2HD ARG 5 -3.735 8.415 8.787
418 2HD ARG 5 1HD ARG 5 -3.221 9.955 8.000
419 HE ARG 5 HE ARG 5 -5.206 9.961 6.814
420 1HH1 ARG 5 1HH1 ARG 5 -5.321 6.340 7.867
421 2HH1 ARG 5 2HH1 ARG 5 -6.988 6.663 8.122
422 1HH2 ARG 5 2HH2 ARG 5 -7.171 9.792 7.243
423 2HH2 ARG 5 1HH2 ARG 5 -7.810 8.356 7.985
424 H ARG 6 H ARG 6 -2.915 4.796 3.875
425 HA ARG 6 HA ARG 6 -4.034 2.356 4.769
426 1HB ARG 6 2HB ARG 6 -4.763 3.406 2.560
427 2HB ARG 6 1HB ARG 6 -3.172 2.977 1.858
428 1HG ARG 6 2HG ARG 6 -3.599 0.583 2.229
429 2HG ARG 6 1HG ARG 6 -5.262 0.963 2.895
430 1HD ARG 6 2HD ARG 6 -6.210 1.170 0.835
431 2HD ARG 6 1HD ARG 6 -4.733 1.689 -0.038
432 HE ARG 6 HE ARG 6 -4.019 -0.594 -0.144
433 1HH1 ARG 6 1HH2 ARG 6 -7.178 -1.119 1.787
434 2HH1 ARG 6 2HH2 ARG 6 -7.543 -2.366 0.723
435 1HH2 ARG 6 2HH1 ARG 6 -4.711 -2.305 -1.145
436 2HH2 ARG 6 1HH1 ARG 6 -6.256 -2.872 -0.991
437 H ASN 7 H ASN 7 -0.816 3.170 3.506
438 HA ASN 7 HA ASN 7 0.327 0.640 3.536
439 1HB ASN 7 2HB ASN 7 1.239 3.498 3.073
440 2HB ASN 7 1HB ASN 7 2.569 2.407 3.400
441 1HD2 ASN 7 2HD2 ASN 7 1.612 2.684 -0.291
442 2HD2 ASN 7 1HD2 ASN 7 1.269 3.803 0.942
443 H ARG 8 H ARG 8 0.338 3.292 6.277
444 HA ARG 8 HA ARG 8 1.681 1.616 8.083
445 1HB ARG 8 2HB ARG 8 -0.498 3.751 8.650
446 2HB ARG 8 1HB ARG 8 0.608 3.023 9.842
447 1HG ARG 8 2HG ARG 8 1.293 4.989 7.546
448 2HG ARG 8 1HG ARG 8 1.237 5.278 9.305
449 1HD ARG 8 2HD ARG 8 3.121 3.441 9.485
450 2HD ARG 8 1HD ARG 8 3.361 3.630 7.718
451 HE ARG 8 HE ARG 8 3.627 6.102 8.144
452 1HH1 ARG 8 1HH2 ARG 8 4.822 3.876 10.596
453 2HH1 ARG 8 2HH2 ARG 8 5.492 5.120 11.524
454 1HH2 ARG 8 1HH1 ARG 8 4.632 7.654 9.537
455 2HH2 ARG 8 2HH1 ARG 8 5.137 7.207 11.122
456 H ARG 9 H ARG 9 -1.813 2.173 7.542
457 HA ARG 9 HA ARG 9 -2.639 0.014 9.194
458 1HB ARG 9 2HB ARG 9 -3.919 2.356 7.920
459 2HB ARG 9 1HB ARG 9 -4.989 0.949 7.903
460 1HG ARG 9 2HG ARG 9 -3.557 2.151 10.349
461 2HG ARG 9 1HG ARG 9 -5.241 2.510 9.898
462 1HD ARG 9 2HD ARG 9 -4.568 -0.459 10.424
463 2HD ARG 9 1HD ARG 9 -4.518 0.676 11.807
464 HE ARG 9 HE ARG 9 -6.977 0.324 10.027
465 1HH1 ARG 9 2HH1 ARG 9 -5.862 1.620 13.151
466 2HH1 ARG 9 1HH1 ARG 9 -7.225 0.908 13.974
467 1HH2 ARG 9 2HH2 ARG 9 -8.675 0.210 10.799
468 2HH2 ARG 9 1HH2 ARG 9 -9.133 0.785 12.416
469 H ARG 10 H ARG 10 -1.123 -0.875 7.059
470 HA ARG 10 HA ARG 10 -2.772 -3.071 6.020
471 1HB ARG 10 2HB ARG 10 -2.309 -2.130 3.878
472 2HB ARG 10 1HB ARG 10 -0.842 -1.327 4.475
473 1HG ARG 10 2HG ARG 10 0.545 -2.682 3.595
474 2HG ARG 10 1HG ARG 10 -0.083 -4.136 4.440
475 1HD ARG 10 2HD ARG 10 -1.029 -3.094 1.696
476 2HD ARG 10 1HD ARG 10 0.272 -4.301 1.969
477 HE ARG 10 HE ARG 10 -1.327 -5.859 2.953
478 1HH1 ARG 10 2HH1 ARG 10 -2.880 -3.405 0.889
479 2HH1 ARG 10 1HH1 ARG 10 -4.172 -4.504 0.698
480 1HH2 ARG 10 1HH2 ARG 10 -3.409 -6.540 3.041
481 2HH2 ARG 10 2HH2 ARG 10 -3.698 -6.536 1.455
482 H ARG 11 H ARG 11 0.733 -2.187 6.134
483 HA ARG 11 HA ARG 11 1.682 -4.556 6.981
484 1HB ARG 11 2HB ARG 11 3.007 -1.829 7.337
485 2HB ARG 11 1HB ARG 11 3.796 -3.449 7.370
486 1HG ARG 11 2HG ARG 11 3.065 -3.901 5.036
487 2HG ARG 11 1HG ARG 11 2.253 -2.281 5.007
488 1HD ARG 11 2HD ARG 11 4.448 -1.170 5.267
489 2HD ARG 11 1HD ARG 11 5.287 -2.743 4.974
490 HE ARG 11 HE ARG 11 3.888 -1.090 2.992
491 1HH1 ARG 11 1HH1 ARG 11 4.911 -4.423 3.490
492 2HH1 ARG 11 2HH1 ARG 11 3.849 -5.109 2.385
493 1HH2 ARG 11 2HH2 ARG 11 2.569 -2.076 1.271
494 2HH2 ARG 11 1HH2 ARG 11 2.660 -3.780 1.019
495 H TRP 12 H TRP 12 0.447 -2.060 9.315
496 HA TRP 12 HA TRP 12 1.131 -3.828 11.560
497 1HB TRP 12 2HB TRP 12 0.042 -0.924 11.510
498 2HB TRP 12 1HB TRP 12 0.527 -1.811 12.976
499 HD1 TRP 12 HD1 TRP 12 1.804 0.909 10.880
500 HE1 TRP 12 HE1 TRP 12 4.384 1.154 11.049
501 HE3 TRP 12 HE3 TRP 12 2.851 -3.536 13.118
502 HZ2 TRP 12 HZ2 TRP 12 6.528 -0.262 12.164
503 HZ3 TRP 12 HZ3 TRP 12 5.202 -4.066 13.716
504 HH2 TRP 12 HH2 TRP 12 7.024 -2.445 13.250
505 H ARG 13 H ARG 13 -1.283 -4.093 9.442
506 HA ARG 13 HA ARG 13 -3.454 -4.372 11.382
507 1HB ARG 13 2HB ARG 13 -3.578 -2.430 9.753
508 2HB ARG 13 1HB ARG 13 -3.638 -3.552 8.385
509 1HG ARG 13 2HG ARG 13 -5.822 -3.388 10.636
510 2HG ARG 13 1HG ARG 13 -5.649 -2.262 9.247
511 1HD ARG 13 2HD ARG 13 -5.997 -4.303 7.673
512 2HD ARG 13 1HD ARG 13 -6.588 -5.177 9.140
513 HE ARG 13 HE ARG 13 -7.703 -2.413 8.645
514 1HH1 ARG 13 2HH1 ARG 13 -8.684 -5.794 7.913
515 2HH1 ARG 13 1HH1 ARG 13 -9.763 -4.999 6.764
516 1HH2 ARG 13 1HH2 ARG 13 -9.038 -1.916 6.852
517 2HH2 ARG 13 2HH2 ARG 13 -9.878 -3.196 6.213
518 H GLU 14 H GLU 14 -1.927 -5.651 8.467
519 HA GLU 14 HA GLU 14 -3.489 -7.867 7.943
520 1HB GLU 14 2HB GLU 14 -0.512 -7.358 7.379
521 2HB GLU 14 1HB GLU 14 -1.492 -8.652 6.623
522 1HG GLU 14 2HG GLU 14 -2.332 -5.650 6.389
523 2HG GLU 14 1HG GLU 14 -1.194 -6.399 5.186
524 H ARG 15 H ARG 15 -1.595 -7.379 10.685
525 HA ARG 15 HA ARG 15 -0.917 -10.070 11.432
526 1HB ARG 15 2HB ARG 15 -0.302 -7.274 12.490
527 2HB ARG 15 1HB ARG 15 0.262 -8.770 13.292
528 1HG ARG 15 2HG ARG 15 1.565 -9.418 11.238
529 2HG ARG 15 1HG ARG 15 0.886 -8.042 10.318
530 1HD ARG 15 2HD ARG 15 2.077 -6.432 11.763
531 2HD ARG 15 1HD ARG 15 2.872 -7.835 12.617
532 HE ARG 15 HE ARG 15 3.270 -8.292 9.819
533 1HH1 ARG 15 1HH2 ARG 15 3.379 -5.113 10.163
534 2HH1 ARG 15 2HH2 ARG 15 4.893 -4.762 10.112
535 1HH2 ARG 15 1HH1 ARG 15 5.517 -8.011 9.089
536 2HH2 ARG 15 2HH1 ARG 15 6.065 -6.392 9.088
537 H GLN 16 H GLN 16 -3.741 -8.278 11.595
538 HA GLN 16 HA GLN 16 -4.985 -9.370 13.979
539 1HB GLN 16 2HB GLN 16 -5.025 -6.762 13.600
540 2HB GLN 16 1HB GLN 16 -5.964 -7.068 12.132
541 1HG GLN 16 2HG GLN 16 -7.651 -8.350 13.857
542 2HG GLN 16 1HG GLN 16 -6.818 -7.314 15.058
543 1HE2 GLN 16 2HE2 GLN 16 -9.917 -5.580 13.964
544 2HE2 GLN 16 1HE2 GLN 16 -9.483 -7.015 14.875
545 H ARG 17 H ARG 17 -5.794 -8.585 10.468
546 HA ARG 17 HA ARG 17 -7.880 -10.518 10.365
547 1HB ARG 17 2HB ARG 17 -8.451 -9.842 8.199
548 2HB ARG 17 1HB ARG 17 -8.072 -8.388 9.137
549 1HG ARG 17 2HG ARG 17 -7.116 -7.672 7.227
550 2HG ARG 17 1HG ARG 17 -5.673 -8.533 7.812
551 1HD ARG 17 2HD ARG 17 -6.103 -10.352 6.188
552 2HD ARG 17 1HD ARG 17 -7.748 -9.690 5.782
553 HE ARG 17 HE ARG 17 -5.325 -7.973 5.361
554 1HH1 ARG 17 1HH2 ARG 17 -8.044 -9.078 3.394
555 2HH1 ARG 17 2HH2 ARG 17 -7.122 -9.041 1.979
556 1HH2 ARG 17 1HH1 ARG 17 -4.311 -8.119 3.516
557 2HH2 ARG 17 2HH1 ARG 17 -5.034 -8.673 2.048
No H/Q in entry = 557
Start of MODEL 4
1 H4* G 1 H4* G 1 6.498 -12.011 2.593
2 H3* G 1 H3* G 1 5.288 -9.169 2.722
3 1H2* G 1 1H2* G 1 7.359 -8.190 2.450
4 2HO* G 1 2HO* G 1 8.115 -10.366 3.879
5 H1* G 1 H1* G 1 8.593 -10.615 1.294
6 H8 G 1 H8 G 1 6.125 -8.484 -0.426
7 H1 G 1 H1 G 1 12.253 -7.296 -1.909
8 1H2 G 1 1H2 G 1 13.568 -8.563 -0.492
9 2H2 G 1 2H2 G 1 12.780 -9.436 0.839
10 1H5* G 2 1H5* G 2 8.599 -9.628 7.652
11 2H5* G 2 2H5* G 2 7.229 -8.629 8.236
12 H4* G 2 H4* G 2 9.379 -7.533 8.758
13 H3* G 2 H3* G 2 7.820 -6.194 6.476
14 1H2* G 2 1H2* G 2 9.372 -4.612 6.150
15 2HO* G 2 2HO* G 2 9.667 -3.980 8.296
16 H1* G 2 H1* G 2 11.620 -6.185 6.549
17 H8 G 2 H8 G 2 8.794 -7.719 4.412
18 H1 G 2 H1 G 2 12.610 -3.693 1.231
19 1H2 G 2 1H2 G 2 14.004 -2.780 2.648
20 2H2 G 2 2H2 G 2 13.857 -2.960 4.418
21 1H5* C 3 1H5* C 3 9.752 -2.698 9.973
22 2H5* C 3 2H5* C 3 8.204 -1.918 10.450
23 H4* C 3 H4* C 3 9.962 -0.199 9.771
24 H3* C 3 H3* C 3 7.629 -0.543 7.806
25 1H2* C 3 1H2* C 3 8.478 1.362 6.579
26 2HO* C 3 2HO* C 3 9.004 2.743 8.039
27 H1* C 3 H1* C 3 10.808 0.626 6.543
28 1H4 C 3 1H4 C 3 8.882 -2.468 0.948
29 2H4 C 3 2H4 C 3 8.765 -3.874 1.934
30 H5 C 3 H5 C 3 8.739 -3.893 4.231
31 H6 C 3 H6 C 3 9.203 -2.660 6.392
32 1H5* U 4 1H5* U 4 5.957 4.383 9.722
33 2H5* U 4 2H5* U 4 7.474 3.452 9.602
34 H4* U 4 H4* U 4 7.488 5.505 8.155
35 H3* U 4 H3* U 4 5.109 4.106 6.813
36 1H2* U 4 1H2* U 4 5.732 4.732 4.753
37 2HO* U 4 2HO* U 4 6.104 6.884 5.130
38 H1* U 4 H1* U 4 8.398 4.633 5.046
39 H3 U 4 H3 U 4 7.594 1.823 1.826
40 H5 U 4 H5 U 4 5.852 -0.210 5.276
41 H6 U 4 H6 U 4 6.526 1.733 6.473
42 1H5* G 5 1H5* G 5 5.495 9.105 5.290
43 2H5* G 5 2H5* G 5 3.822 9.334 5.095
44 H4* G 5 H4* G 5 5.516 9.720 2.989
45 H3* G 5 H3* G 5 2.768 9.565 3.364
46 1H2* G 5 1H2* G 5 2.717 7.219 3.017
47 2HO* G 5 2HO* G 5 2.144 8.981 0.990
48 H1* G 5 H1* G 5 4.138 7.519 0.462
49 H8 G 5 H8 G 5 4.320 5.530 3.625
50 H1 G 5 H1 G 5 4.591 1.666 -1.529
51 1H2 G 5 1H2 G 5 4.615 2.728 -3.282
52 2H2 G 5 2H2 G 5 4.521 4.490 -3.423
53 1H5* G 6 1H5* G 6 4.716 12.161 -1.167
54 2H5* G 6 2H5* G 6 3.367 13.245 -1.615
55 H4* G 6 H4* G 6 3.982 11.671 -3.458
56 H3* G 6 H3* G 6 1.358 10.907 -2.151
57 1H2* G 6 1H2* G 6 0.868 9.658 -3.740
58 2HO* G 6 2HO* G 6 1.443 9.648 -5.812
59 H1* G 6 H1* G 6 3.714 8.856 -4.148
60 H8 G 6 H8 G 6 2.477 8.272 -0.780
61 H1 G 6 H1 G 6 1.678 3.194 -4.511
62 1H2 G 6 1H2 G 6 2.425 3.563 -6.461
63 2H2 G 6 2H2 G 6 2.551 5.140 -7.194
64 1H5* A 7 1H5* A 7 -2.548 10.723 -5.589
65 2H5* A 7 2H5* A 7 -1.475 9.724 -4.572
66 H4* A 7 H4* A 7 -0.667 10.349 -7.480
67 H3* A 7 H3* A 7 -2.434 8.071 -6.440
68 1H2* A 7 1H2* A 7 -1.515 6.699 -8.352
69 2HO* A 7 2HO* A 7 -0.834 9.160 -9.311
70 H1* A 7 H1* A 7 1.011 7.257 -7.531
71 H8 A 7 H8 A 7 -0.348 7.447 -4.306
72 1H6 A 7 1H6 A 7 -1.620 3.090 -2.825
73 2H6 A 7 2H6 A 7 -2.031 1.639 -3.691
74 H2 A 7 H2 A 7 -0.945 2.220 -7.998
75 1H5* C 8 1H5* C 8 -2.598 7.646 -10.402
76 2H5* C 8 2H5* C 8 -4.083 7.631 -11.406
77 H4* C 8 H4* C 8 -2.801 5.415 -11.520
78 H3* C 8 H3* C 8 -5.605 5.641 -10.293
79 1H2* C 8 1H2* C 8 -5.758 3.484 -9.581
80 2HO* C 8 2HO* C 8 -5.181 2.753 -11.715
81 H1* C 8 H1* C 8 -3.188 2.957 -9.253
82 1H4 C 8 1H4 C 8 -4.997 2.502 -3.340
83 2H4 C 8 2H4 C 8 -4.798 4.184 -2.864
84 H5 C 8 H5 C 8 -4.419 5.865 -4.835
85 H6 C 8 H6 C 8 -3.911 5.961 -7.318
86 1H5* U 9 1H5* U 9 -8.164 3.259 -13.669
87 2H5* U 9 2H5* U 9 -7.650 4.250 -12.289
88 H4* U 9 H4* U 9 -8.383 1.192 -12.197
89 H3* U 9 H3* U 9 -9.472 3.808 -11.069
90 1H2* U 9 1H2* U 9 -10.126 2.823 -9.332
91 2HO* U 9 2HO* U 9 -11.536 1.244 -10.308
92 H1* U 9 H1* U 9 -8.475 0.500 -9.338
93 H3 U 9 H3 U 9 -8.436 2.006 -4.889
94 H5 U 9 H5 U 9 -7.319 5.370 -7.202
95 H6 U 9 H6 U 9 -7.508 4.049 -9.121
96 1H5* C 10 1H5* C 10 -14.525 3.095 -10.719
97 2H5* C 10 2H5* C 10 -13.075 3.618 -9.820
98 H4* C 10 H4* C 10 -14.483 0.825 -9.550
99 H3* C 10 H3* C 10 -14.259 3.333 -7.805
100 1H2* C 10 1H2* C 10 -14.398 2.050 -5.818
101 2HO* C 10 2HO* C 10 -15.665 0.677 -5.675
102 H1* C 10 H1* C 10 -12.685 0.302 -6.539
103 1H4 C 10 1H4 C 10 -10.574 5.385 -3.195
104 2H4 C 10 2H4 C 10 -9.626 6.094 -4.453
105 H5 C 10 H5 C 10 -10.418 5.321 -6.901
106 H6 C 10 H6 C 10 -11.551 3.357 -8.121
107 1H5* G 11 1H5* G 11 -17.746 1.079 -6.775
108 2H5* G 11 2H5* G 11 -19.305 1.851 -6.337
109 H4* G 11 H4* G 11 -18.382 0.488 -4.433
110 H3* G 11 H3* G 11 -18.520 3.539 -4.095
111 1H2* G 11 1H2* G 11 -17.646 3.240 -1.775
112 2HO* G 11 2HO* G 11 -19.200 1.679 -1.438
113 H1* G 11 H1* G 11 -15.984 1.485 -2.218
114 H8 G 11 H8 G 11 -15.205 3.657 -5.323
115 H1 G 11 H1 G 11 -12.817 6.288 -0.035
116 1H2 G 11 1H2 G 11 -13.711 5.280 1.911
117 2H2 G 11 2H2 G 11 -14.840 3.935 1.810
118 1H5* U 12 1H5* U 12 -22.377 3.242 0.168
119 2H5* U 12 2H5* U 12 -21.590 4.555 -0.723
120 H4* U 12 H4* U 12 -20.387 2.711 1.453
121 H3* U 12 H3* U 12 -20.598 5.709 0.747
122 1H2* U 12 1H2* U 12 -18.558 6.250 1.955
123 2HO* U 12 2HO* U 12 -19.443 4.369 3.313
124 H1* U 12 H1* U 12 -17.214 4.269 1.034
125 H3 U 12 H3 U 12 -15.925 8.064 -1.192
126 H5 U 12 H5 U 12 -18.436 5.961 -3.889
127 H6 U 12 H6 U 12 -19.073 4.557 -1.897
128 1H5* A 13 1H5* A 13 -20.950 6.481 5.181
129 2H5* A 13 2H5* A 13 -22.109 7.835 5.282
130 H4* A 13 H4* A 13 -19.715 8.216 6.089
131 H3* A 13 H3* A 13 -20.651 9.998 3.878
132 1H2* A 13 1H2* A 13 -18.607 11.359 4.270
133 2HO* A 13 2HO* A 13 -17.694 11.281 6.169
134 H1* A 13 H1* A 13 -17.054 9.212 4.114
135 H8 A 13 H8 A 13 -19.389 7.950 1.763
136 1H6 A 13 1H6 A 13 -16.682 11.133 -2.696
137 2H6 A 13 2H6 A 13 -18.062 10.181 -2.301
138 H2 A 13 H2 A 13 -15.501 13.040 1.301
139 1H5* C 14 1H5* C 14 -19.791 13.272 6.364
140 2H5* C 14 2H5* C 14 -21.011 14.591 6.321
141 H4* C 14 H4* C 14 -18.858 15.466 5.364
142 H3* C 14 H3* C 14 -20.811 14.891 3.366
143 1H2* C 14 1H2* C 14 -19.159 16.413 1.888
144 2HO* C 14 2HO* C 14 -18.394 17.470 3.991
145 H1* C 14 H1* C 14 -17.334 14.710 2.446
146 1H4 C 14 1H4 C 14 -20.002 11.933 -2.651
147 2H4 C 14 2H4 C 14 -21.047 10.920 -1.678
148 H5 C 14 H5 C 14 -20.713 10.967 0.737
149 H6 C 14 H6 C 14 -19.778 12.263 2.688
150 1H5* U 15 1H5* U 15 -19.318 19.839 2.438
151 2H5* U 15 2H5* U 15 -20.867 20.714 2.257
152 H4* U 15 H4* U 15 -19.663 20.254 0.095
153 H3* U 15 H3* U 15 -22.185 18.551 0.455
154 1H2* U 15 1H2* U 15 -22.110 18.076 -1.765
155 2HO* U 15 2HO* U 15 -20.322 18.839 -3.048
156 H1* U 15 H1* U 15 -19.708 17.328 -1.725
157 H3 U 15 H3 U 15 -22.606 13.859 -2.075
158 H5 U 15 H5 U 15 -22.250 14.622 2.141
159 H6 U 15 H6 U 15 -21.014 16.699 1.427
160 1H5* U 16 1H5* U 16 -25.555 20.964 -3.187
161 2H5* U 16 2H5* U 16 -25.078 19.343 -3.754
162 H4* U 16 H4* U 16 -25.044 21.066 -5.331
163 H3* U 16 H3* U 16 -22.985 19.211 -5.773
164 1H2* U 16 1H2* U 16 -21.584 20.352 -4.149
165 2HO* U 16 2HO* U 16 -20.438 19.739 -6.143
166 H1* U 16 H1* U 16 -22.036 22.614 -5.964
167 H3 U 16 H3 U 16 -18.858 25.190 -3.816
168 H5 U 16 H5 U 16 -20.447 22.714 -0.717
169 H6 U 16 H6 U 16 -21.901 21.734 -2.486
170 1H5* C 17 1H5* C 17 -22.176 18.875 -8.368
171 2H5* C 17 2H5* C 17 -22.553 18.482 -10.023
172 H4* C 17 H4* C 17 -22.599 16.369 -9.114
173 H3* C 17 H3* C 17 -25.438 17.429 -8.947
174 1H2* C 17 1H2* C 17 -25.717 16.695 -6.842
175 2HO* C 17 2HO* C 17 -25.451 14.173 -8.241
176 H1* C 17 H1* C 17 -23.433 14.832 -7.019
177 1H4 C 17 1H4 C 17 -24.855 17.045 -0.935
178 2H4 C 17 2H4 C 17 -25.670 15.464 -0.835
179 H5 C 17 H5 C 17 -23.786 17.949 -2.987
180 H6 C 17 H6 C 17 -23.416 17.624 -5.137
181 1H5* G 18 1H5* G 18 -21.354 12.934 -10.845
182 2H5* G 18 2H5* G 18 -21.691 13.994 -9.442
183 H4* G 18 H4* G 18 -20.038 14.714 -12.034
184 H3* G 18 H3* G 18 -19.414 14.811 -9.379
185 1H2* G 18 1H2* G 18 -17.590 16.403 -10.013
186 2HO* G 18 2HO* G 18 -17.889 15.479 -12.431
187 H1* G 18 H1* G 18 -19.581 17.964 -10.917
188 H8 G 18 H8 G 18 -18.832 19.193 -8.994
189 H1 G 18 H1 G 18 -20.885 15.221 -4.419
190 1H2 G 18 1H2 G 18 -21.481 13.000 -6.904
191 2H2 G 18 2H2 G 18 -21.633 13.389 -5.199
192 1H5* G 19 1H5* G 19 -14.153 12.595 -10.510
193 2H5* G 19 2H5* G 19 -15.618 12.547 -9.479
194 H4* G 19 H4* G 19 -14.165 15.149 -10.463
195 H3* G 19 H3* G 19 -14.144 13.471 -7.985
196 1H2* G 19 1H2* G 19 -14.104 15.493 -6.440
197 2HO* G 19 2HO* G 19 -12.890 16.356 -8.442
198 H1* G 19 H1* G 19 -15.960 16.736 -7.643
199 H8 G 19 H8 G 19 -17.402 13.667 -8.578
200 H1 G 19 H1 G 19 -18.248 14.454 -2.314
201 1H2 G 19 1H2 G 19 -17.121 16.136 -1.583
202 2H2 G 19 2H2 G 19 -15.935 17.014 -2.536
203 1H5* U 20 1H5* U 20 -9.939 15.473 -7.485
204 2H5* U 20 2H5* U 20 -8.930 14.309 -6.587
205 H4* U 20 H4* U 20 -9.547 16.410 -5.327
206 H3* U 20 H3* U 20 -10.551 13.814 -4.293
207 1H2* U 20 1H2* U 20 -11.118 15.101 -2.103
208 2HO* U 20 2HO* U 20 -9.304 16.667 -2.925
209 H1* U 20 H1* U 20 -12.686 16.766 -3.552
210 H3 U 20 H3 U 20 -15.130 12.857 -1.890
211 H5 U 20 H5 U 20 -14.126 12.145 -5.939
212 H6 U 20 H6 U 20 -12.770 14.227 -5.839
213 1H5* A 21 1H5* A 21 -8.646 15.240 -0.848
214 2H5* A 21 2H5* A 21 -7.760 14.033 0.118
215 H4* A 21 H4* A 21 -9.718 15.342 1.291
216 H3* A 21 H3* A 21 -9.564 12.344 1.126
217 1H2* A 21 1H2* A 21 -11.687 12.170 2.588
218 2HO* A 21 2HO* A 21 -10.807 14.142 3.518
219 H1* A 21 H1* A 21 -12.990 13.817 1.069
220 H8 A 21 H8 A 21 -11.279 13.087 -1.846
221 1H6 A 21 1H6 A 21 -14.475 8.075 -3.114
222 2H6 A 21 2H6 A 21 -13.481 9.457 -3.558
223 H2 A 21 H2 A 21 -15.038 9.138 1.499
224 1H5* C 22 1H5* C 22 -10.615 12.050 5.512
225 2H5* C 22 2H5* C 22 -9.217 11.281 6.358
226 H4* C 22 H4* C 22 -11.181 9.850 6.648
227 H3* C 22 H3* C 22 -9.202 8.745 4.583
228 1H2* C 22 1H2* C 22 -10.507 6.839 4.232
229 2HO* C 22 2HO* C 22 -11.977 7.697 6.560
230 H1* C 22 H1* C 22 -12.948 8.164 4.113
231 1H4 C 22 1H4 C 22 -11.201 8.054 -2.109
232 2H4 C 22 2H4 C 22 -10.143 9.444 -1.845
233 H5 C 22 H5 C 22 -10.342 10.675 0.188
234 H6 C 22 H6 C 22 -10.814 10.507 2.660
235 1H5* U 23 1H5* U 23 -10.227 5.161 6.252
236 2H5* U 23 2H5* U 23 -10.297 4.564 7.915
237 H4* U 23 H4* U 23 -9.394 2.724 6.989
238 H3* U 23 H3* U 23 -6.848 4.440 7.222
239 1H2* U 23 1H2* U 23 -5.965 3.843 5.326
240 2HO* U 23 2HO* U 23 -6.344 1.592 6.745
241 H1* U 23 H1* U 23 -8.084 1.702 4.837
242 H3 U 23 H3 U 23 -8.429 2.326 0.255
243 H5 U 23 H5 U 23 -6.090 5.563 1.423
244 H6 U 23 H6 U 23 -6.453 4.932 3.786
245 1H5* G 24 1H5* G 24 -8.728 4.627 9.752
246 2H5* G 24 2H5* G 24 -8.577 4.488 11.516
247 H4* G 24 H4* G 24 -10.845 3.399 11.722
248 H3* G 24 H3* G 24 -10.670 2.895 8.836
249 1H2* G 24 1H2* G 24 -12.168 4.208 8.420
250 2HO* G 24 2HO* G 24 -13.709 2.316 9.583
251 H1* G 24 H1* G 24 -13.065 5.060 11.209
252 H8 G 24 H8 G 24 -10.729 7.120 9.604
253 H1 G 24 H1 G 24 -16.485 8.834 7.314
254 1H2 G 24 1H2 G 24 -17.601 5.950 8.818
255 2H2 G 24 2H2 G 24 -17.905 7.253 7.646
256 1H5* G 25 1H5* G 25 -10.462 0.941 6.759
257 2H5* G 25 2H5* G 25 -11.727 2.203 6.730
258 H4* G 25 H4* G 25 -13.197 -0.026 5.788
259 H3* G 25 H3* G 25 -10.286 -0.065 4.657
260 1H2* G 25 1H2* G 25 -11.055 -0.384 2.622
261 2HO* G 25 2HO* G 25 -12.415 -1.909 2.280
262 H1* G 25 H1* G 25 -13.621 0.866 2.963
263 H8 G 25 H8 G 25 -10.902 3.159 3.903
264 H1 G 25 H1 G 25 -12.061 2.907 -2.452
265 1H2 G 25 1H2 G 25 -13.307 1.151 -2.831
266 2H2 G 25 2H2 G 25 -13.996 0.225 -1.469
267 1H5* A 26 1H5* A 26 -12.268 -3.933 3.411
268 2H5* A 26 2H5* A 26 -11.356 -5.447 3.168
269 H4* A 26 H4* A 26 -12.265 -4.623 0.994
270 H3* A 26 H3* A 26 -9.221 -4.517 1.348
271 1H2* A 26 1H2* A 26 -8.923 -3.596 -0.633
272 2HO* A 26 2HO* A 26 -9.949 -5.336 -1.714
273 H1* A 26 H1* A 26 -11.771 -2.741 -0.951
274 H8 A 26 H8 A 26 -9.906 -0.548 1.282
275 1H6 A 26 1H6 A 26 -8.793 3.320 -3.277
276 2H6 A 26 2H6 A 26 -8.438 2.906 -1.625
277 H2 A 26 H2 A 26 -10.182 -0.582 -5.127
278 1H5* G 27 1H5* G 27 -10.537 -7.081 -2.768
279 2H5* G 27 2H5* G 27 -9.336 -8.380 -2.853
280 H4* G 27 H4* G 27 -9.403 -7.066 -4.963
281 H3* G 27 H3* G 27 -6.795 -6.653 -3.511
282 1H2* G 27 1H2* G 27 -5.973 -5.485 -5.434
283 2HO* G 27 2HO* G 27 -7.353 -7.229 -6.535
284 H1* G 27 H1* G 27 -8.440 -4.340 -6.101
285 H8 G 27 H8 G 27 -8.047 -3.828 -2.529
286 H1 G 27 H1 G 27 -5.228 0.796 -5.933
287 1H2 G 27 1H2 G 27 -5.119 0.239 -8.056
288 2H2 G 27 2H2 G 27 -5.934 -1.156 -8.717
289 1H5* A 28 1H5* A 28 -4.608 -7.262 -4.198
290 2H5* A 28 2H5* A 28 -3.517 -8.635 -3.857
291 H4* A 28 H4* A 28 -3.158 -7.995 -1.654
292 H3* A 28 H3* A 28 -5.844 -7.208 -1.452
293 1H2* A 28 1H2* A 28 -5.708 -5.098 -2.583
294 2HO* A 28 2HO* A 28 -4.931 -4.609 0.066
295 H1* A 28 H1* A 28 -3.024 -4.563 -1.279
296 H8 A 28 H8 A 28 -4.284 -4.919 -4.826
297 1H6 A 28 1H6 A 28 -2.251 0.918 -5.600
298 2H6 A 28 2H6 A 28 -3.090 -0.385 -6.374
299 H2 A 28 H2 A 28 -1.809 -0.272 -1.275
300 1H5* A 29 1H5* A 29 -1.377 -5.863 -0.787
301 2H5* A 29 2H5* A 29 -0.963 -7.574 -0.544
302 H4* A 29 H4* A 29 0.446 -5.047 0.247
303 H3* A 29 H3* A 29 1.396 -7.858 -0.433
304 1H2* A 29 1H2* A 29 2.774 -8.127 1.622
305 2HO* A 29 2HO* A 29 4.151 -6.521 0.759
306 H1* A 29 H1* A 29 1.852 -6.078 3.241
307 H8 A 29 H8 A 29 -0.115 -9.053 2.295
308 1H6 A 29 1H6 A 29 1.474 -11.105 7.837
309 2H6 A 29 2H6 A 29 0.562 -11.295 6.326
310 H2 A 29 H2 A 29 3.315 -6.808 7.024
311 1H5* A 30 1H5* A 30 1.970 -7.829 -3.023
312 2H5* A 30 2H5* A 30 3.215 -8.149 -4.276
313 H4* A 30 H4* A 30 1.259 -7.219 -5.395
314 H3* A 30 H3* A 30 3.644 -5.418 -5.167
315 1H2* A 30 1H2* A 30 2.523 -3.569 -5.209
316 2HO* A 30 2HO* A 30 2.354 -4.133 -7.463
317 H1* A 30 H1* A 30 -0.315 -4.607 -5.466
318 H8 A 30 H8 A 30 0.587 -4.365 -2.076
319 1H6 A 30 1H6 A 30 1.170 1.786 -1.963
320 2H6 A 30 2H6 A 30 1.176 0.409 -0.851
321 H2 A 30 H2 A 30 0.652 0.715 -6.081
322 1H5* C 31 1H5* C 31 5.744 -3.231 -9.093
323 2H5* C 31 2H5* C 31 5.940 -3.653 -7.369
324 H4* C 31 H4* C 31 3.443 -2.024 -8.386
325 H3* C 31 H3* C 31 6.105 -0.982 -7.323
326 1H2* C 31 1H2* C 31 5.081 0.755 -6.135
327 2HO* C 31 2HO* C 31 3.649 1.547 -7.613
328 H1* C 31 H1* C 31 2.766 -0.825 -5.633
329 1H4 C 31 1H4 C 31 5.087 -0.724 0.247
330 2H4 C 31 2H4 C 31 5.538 -2.418 0.036
331 H5 C 31 H5 C 31 5.582 -3.377 -2.140
332 H6 C 31 H6 C 31 4.930 -3.136 -4.474
333 1H5* A 32 1H5* A 32 6.671 3.898 -9.139
334 2H5* A 32 2H5* A 32 8.285 3.254 -9.486
335 H4* A 32 H4* A 32 7.991 4.883 -7.502
336 H3* A 32 H3* A 32 9.193 2.155 -6.893
337 1H2* A 32 1H2* A 32 9.942 3.137 -4.841
338 2HO* A 32 2HO* A 32 10.615 4.952 -4.769
339 H1* A 32 H1* A 32 7.714 4.570 -4.531
340 H8 A 32 H8 A 32 6.594 1.002 -4.973
341 1H6 A 32 1H6 A 32 7.652 0.118 0.942
342 2H6 A 32 2H6 A 32 6.860 -0.232 -0.548
343 H2 A 32 H2 A 32 9.385 4.307 -0.166
344 1H5* G 33 1H5* G 33 12.385 4.941 -6.551
345 2H5* G 33 2H5* G 33 14.007 4.216 -6.757
346 H4* G 33 H4* G 33 13.584 5.324 -4.567
347 H3* G 33 H3* G 33 14.222 2.294 -4.473
348 1H2* G 33 1H2* G 33 14.299 2.529 -2.032
349 2HO* G 33 2HO* G 33 15.200 4.701 -2.637
350 H1* G 33 H1* G 33 12.097 3.988 -1.792
351 H8 G 33 H8 G 33 11.139 1.716 -4.635
352 H1 G 33 H1 G 33 10.485 -0.714 1.288
353 1H2 G 33 1H2 G 33 11.260 0.645 2.719
354 2H2 G 33 2H2 G 33 12.448 1.852 2.224
355 1H5* C 34 1H5* C 34 16.387 1.050 -3.682
356 2H5* C 34 2H5* C 34 18.150 0.811 -3.821
357 H4* C 34 H4* C 34 18.224 1.377 -1.176
358 H3* C 34 H3* C 34 16.856 -1.049 -2.473
359 1H2* C 34 1H2* C 34 16.854 -2.202 -0.479
360 2HO* C 34 2HO* C 34 18.875 -0.790 0.198
361 H1* C 34 H1* C 34 15.736 0.136 0.802
362 1H4 C 34 1H4 C 34 11.500 -4.253 -1.222
363 2H4 C 34 2H4 C 34 11.216 -3.505 -2.781
364 H5 C 34 H5 C 34 12.447 -1.320 -3.278
365 H6 C 34 H6 C 34 14.226 0.195 -2.451
366 1H5* C 35 1H5* C 35 19.609 -3.602 -0.297
367 2H5* C 35 2H5* C 35 20.796 -4.104 -1.549
368 H4* C 35 H4* C 35 19.879 -6.031 -0.108
369 H3* C 35 H3* C 35 19.437 -6.018 -3.151
370 1H2* C 35 1H2* C 35 18.192 -7.994 -3.090
371 2HO* C 35 2HO* C 35 19.947 -8.525 -1.437
372 H1* C 35 H1* C 35 16.995 -7.543 -0.522
373 1H4 C 35 1H4 C 35 11.958 -6.001 -4.214
374 2H4 C 35 2H4 C 35 12.746 -4.621 -4.921
375 H5 C 35 H5 C 35 14.998 -3.955 -4.214
376 H6 C 35 H6 C 35 16.969 -4.590 -2.931
377 1H THR 1 1H THR 1 1.033 11.399 2.469
378 2H THR 1 2H THR 1 0.835 9.788 2.073
379 HA THR 1 HA THR 1 -1.211 11.912 2.124
380 HB THR 1 HB THR 1 0.090 11.433 0.000
381 HG1 THR 1 1HG THR 1 -1.698 11.532 -1.267
382 1HG2 THR 1 3HG2 THR 1 -0.090 8.723 -0.012
383 2HG2 THR 1 2HG2 THR 1 -1.762 9.079 -0.618
384 3HG2 THR 1 1HG2 THR 1 -0.385 9.655 -1.520
385 H ARG 2 H ARG 2 -3.333 10.396 0.930
386 HA ARG 2 HA ARG 2 -4.506 9.203 3.209
387 1HB ARG 2 2HB ARG 2 -5.648 10.257 1.165
388 2HB ARG 2 1HB ARG 2 -5.208 8.780 0.263
389 1HG ARG 2 2HG ARG 2 -6.584 7.435 2.059
390 2HG ARG 2 1HG ARG 2 -6.935 8.995 2.847
391 1HD ARG 2 2HD ARG 2 -8.806 8.203 1.455
392 2HD ARG 2 1HD ARG 2 -8.177 9.823 0.949
393 HE ARG 2 HE ARG 2 -6.921 8.752 -0.877
394 1HH1 ARG 2 1HH1 ARG 2 -9.707 6.838 0.141
395 2HH1 ARG 2 2HH1 ARG 2 -9.291 5.536 -0.810
396 1HH2 ARG 2 2HH2 ARG 2 -6.330 6.726 -1.977
397 2HH2 ARG 2 1HH2 ARG 2 -7.273 5.444 -1.463
398 H GLN 3 H GLN 3 -2.478 8.052 0.652
399 HA GLN 3 HA GLN 3 -2.774 5.236 1.144
400 1HB GLN 3 2HB GLN 3 -0.968 6.718 -0.860
401 2HB GLN 3 1HB GLN 3 -0.987 4.968 -0.583
402 1HG GLN 3 2HG GLN 3 -2.437 4.950 -2.314
403 2HG GLN 3 1HG GLN 3 -3.585 5.133 -0.941
404 1HE2 GLN 3 1HE2 GLN 3 -3.307 8.601 -3.214
405 2HE2 GLN 3 2HE2 GLN 3 -1.962 7.468 -3.331
406 H ALA 4 H ALA 4 -1.085 7.624 2.920
407 HA ALA 4 HA ALA 4 1.253 6.053 3.491
408 1HB ALA 4 2HB ALA 4 1.065 8.714 3.956
409 2HB ALA 4 1HB ALA 4 0.509 8.194 5.604
410 3HB ALA 4 3HB ALA 4 2.043 7.637 4.920
411 H ARG 5 H ARG 5 -1.760 6.906 5.276
412 HA ARG 5 HA ARG 5 -1.727 5.329 7.535
413 1HB ARG 5 2HB ARG 5 -4.049 6.032 5.631
414 2HB ARG 5 1HB ARG 5 -4.312 5.488 7.296
415 1HG ARG 5 2HG ARG 5 -2.865 8.151 6.457
416 2HG ARG 5 1HG ARG 5 -4.626 7.992 6.606
417 1HD ARG 5 2HD ARG 5 -2.756 7.585 9.047
418 2HD ARG 5 1HD ARG 5 -3.522 9.143 8.559
419 HE ARG 5 HE ARG 5 -5.709 7.849 8.518
420 1HH1 ARG 5 2HH2 ARG 5 -3.404 5.802 10.045
421 2HH1 ARG 5 1HH2 ARG 5 -4.735 4.694 10.133
422 1HH2 ARG 5 2HH1 ARG 5 -7.005 6.581 9.079
423 2HH2 ARG 5 1HH1 ARG 5 -6.499 5.087 9.852
424 H ARG 6 H ARG 6 -2.956 4.563 4.113
425 HA ARG 6 HA ARG 6 -3.475 1.916 4.572
426 1HB ARG 6 2HB ARG 6 -4.031 3.802 2.578
427 2HB ARG 6 1HB ARG 6 -2.720 2.850 1.808
428 1HG ARG 6 2HG ARG 6 -4.161 0.777 2.412
429 2HG ARG 6 1HG ARG 6 -5.533 1.890 2.769
430 1HD ARG 6 2HD ARG 6 -5.473 2.736 0.450
431 2HD ARG 6 1HD ARG 6 -4.003 2.009 0.087
432 HE ARG 6 HE ARG 6 -5.612 0.451 -0.837
433 1HH1 ARG 6 1HH1 ARG 6 -7.200 -0.094 2.203
434 2HH1 ARG 6 2HH1 ARG 6 -6.407 -1.590 2.490
435 1HH2 ARG 6 2HH2 ARG 6 -4.561 -1.279 -0.609
436 2HH2 ARG 6 1HH2 ARG 6 -5.502 -2.491 0.112
437 H ASN 7 H ASN 7 -0.288 3.005 4.744
438 HA ASN 7 HA ASN 7 0.737 0.351 3.992
439 1HB ASN 7 2HB ASN 7 1.843 3.070 3.236
440 2HB ASN 7 1HB ASN 7 3.010 1.810 3.410
441 1HD2 ASN 7 1HD2 ASN 7 1.497 2.394 0.046
442 2HD2 ASN 7 2HD2 ASN 7 1.167 3.381 1.405
443 H ARG 8 H ARG 8 1.150 3.183 6.348
444 HA ARG 8 HA ARG 8 2.995 1.904 7.937
445 1HB ARG 8 2HB ARG 8 2.642 4.279 7.772
446 2HB ARG 8 1HB ARG 8 0.980 4.190 8.412
447 1HG ARG 8 2HG ARG 8 3.727 3.939 9.825
448 2HG ARG 8 1HG ARG 8 2.508 5.227 9.916
449 1HD ARG 8 2HD ARG 8 2.345 4.210 12.033
450 2HD ARG 8 1HD ARG 8 0.962 3.421 11.151
451 HE ARG 8 HE ARG 8 3.530 1.965 10.851
452 1HH1 ARG 8 2HH1 ARG 8 0.812 2.015 13.322
453 2HH1 ARG 8 1HH1 ARG 8 1.337 0.362 13.665
454 1HH2 ARG 8 2HH2 ARG 8 4.085 0.490 11.688
455 2HH2 ARG 8 1HH2 ARG 8 3.368 -0.391 13.019
456 H ARG 9 H ARG 9 -0.591 2.354 8.546
457 HA ARG 9 HA ARG 9 -0.596 0.717 10.811
458 1HB ARG 9 2HB ARG 9 -2.361 2.524 9.879
459 2HB ARG 9 1HB ARG 9 -3.219 1.132 9.210
460 1HG ARG 9 2HG ARG 9 -2.332 1.677 12.128
461 2HG ARG 9 1HG ARG 9 -3.963 2.076 11.550
462 1HD ARG 9 2HD ARG 9 -2.983 -0.876 11.699
463 2HD ARG 9 1HD ARG 9 -3.648 0.056 13.104
464 HE ARG 9 HE ARG 9 -5.381 0.234 10.729
465 1HH1 ARG 9 1HH1 ARG 9 -5.065 -1.601 13.844
466 2HH1 ARG 9 2HH1 ARG 9 -6.771 -1.746 13.928
467 1HH2 ARG 9 2HH2 ARG 9 -7.162 0.023 10.863
468 2HH2 ARG 9 1HH2 ARG 9 -8.032 -0.673 12.178
469 H ARG 10 H ARG 10 -1.520 0.118 7.479
470 HA ARG 10 HA ARG 10 -2.255 -2.442 7.399
471 1HB ARG 10 2HB ARG 10 -2.349 -0.654 5.637
472 2HB ARG 10 1HB ARG 10 -0.684 -1.124 5.190
473 1HG ARG 10 2HG ARG 10 -2.804 -3.323 5.369
474 2HG ARG 10 1HG ARG 10 -3.191 -2.036 4.206
475 1HD ARG 10 2HD ARG 10 -0.610 -3.720 3.991
476 2HD ARG 10 1HD ARG 10 -2.184 -4.042 3.153
477 HE ARG 10 HE ARG 10 -1.316 -1.240 2.823
478 1HH1 ARG 10 1HH1 ARG 10 -2.338 -3.771 0.852
479 2HH1 ARG 10 2HH1 ARG 10 -1.790 -2.834 -0.440
480 1HH2 ARG 10 1HH2 ARG 10 0.509 -1.031 1.043
481 2HH2 ARG 10 2HH2 ARG 10 0.079 -1.851 -0.326
482 H ARG 11 H ARG 11 1.452 -1.611 6.831
483 HA ARG 11 HA ARG 11 2.004 -4.265 6.610
484 1HB ARG 11 2HB ARG 11 3.916 -2.020 7.215
485 2HB ARG 11 1HB ARG 11 4.289 -3.770 6.980
486 1HG ARG 11 2HG ARG 11 2.994 -3.507 4.635
487 2HG ARG 11 1HG ARG 11 3.184 -1.754 4.978
488 1HD ARG 11 2HD ARG 11 5.020 -1.913 3.707
489 2HD ARG 11 1HD ARG 11 5.877 -2.619 5.176
490 HE ARG 11 HE ARG 11 5.495 -3.896 2.661
491 1HH1 ARG 11 2HH1 ARG 11 5.804 -4.793 6.091
492 2HH1 ARG 11 1HH1 ARG 11 5.466 -6.489 5.636
493 1HH2 ARG 11 1HH2 ARG 11 4.912 -6.227 2.674
494 2HH2 ARG 11 2HH2 ARG 11 5.332 -7.111 4.098
495 H TRP 12 H TRP 12 1.895 -2.412 9.743
496 HA TRP 12 HA TRP 12 2.589 -4.782 11.256
497 1HB TRP 12 2HB TRP 12 3.181 -2.670 12.272
498 2HB TRP 12 1HB TRP 12 1.508 -2.094 12.262
499 HD1 TRP 12 HD1 TRP 12 -0.188 -3.903 14.050
500 HE1 TRP 12 HE1 TRP 12 0.393 -4.202 16.543
501 HE3 TRP 12 HE3 TRP 12 4.886 -3.030 13.820
502 HZ2 TRP 12 HZ2 TRP 12 2.682 -4.251 18.153
503 HZ3 TRP 12 HZ3 TRP 12 6.186 -3.202 15.929
504 HH2 TRP 12 HH2 TRP 12 5.106 -3.783 18.040
505 H ARG 13 H ARG 13 -0.698 -3.310 10.411
506 HA ARG 13 HA ARG 13 -2.542 -4.834 11.664
507 1HB ARG 13 2HB ARG 13 -3.031 -2.783 10.641
508 2HB ARG 13 1HB ARG 13 -2.493 -3.386 9.051
509 1HG ARG 13 2HG ARG 13 -4.506 -5.071 9.116
510 2HG ARG 13 1HG ARG 13 -4.970 -4.165 10.593
511 1HD ARG 13 2HD ARG 13 -6.259 -3.119 9.127
512 2HD ARG 13 1HD ARG 13 -4.825 -2.025 8.942
513 HE ARG 13 HE ARG 13 -4.658 -4.131 6.875
514 1HH1 ARG 13 2HH1 ARG 13 -6.470 -1.127 7.229
515 2HH1 ARG 13 1HH1 ARG 13 -7.639 -1.699 6.017
516 1HH2 ARG 13 2HH2 ARG 13 -5.684 -4.527 5.344
517 2HH2 ARG 13 1HH2 ARG 13 -7.277 -3.821 5.010
518 H GLU 14 H GLU 14 -1.293 -5.496 8.265
519 HA GLU 14 HA GLU 14 -2.889 -7.605 7.604
520 1HB GLU 14 2HB GLU 14 -0.105 -7.087 6.604
521 2HB GLU 14 1HB GLU 14 -1.300 -8.267 5.977
522 1HG GLU 14 2HG GLU 14 -1.634 -5.146 5.913
523 2HG GLU 14 1HG GLU 14 -1.446 -6.302 4.549
524 H ARG 15 H ARG 15 0.013 -7.791 9.654
525 HA ARG 15 HA ARG 15 0.227 -10.564 9.962
526 1HB ARG 15 2HB ARG 15 1.128 -8.217 11.724
527 2HB ARG 15 1HB ARG 15 1.434 -9.909 12.197
528 1HG ARG 15 2HG ARG 15 2.633 -10.326 10.012
529 2HG ARG 15 1HG ARG 15 2.418 -8.573 9.632
530 1HD ARG 15 2HD ARG 15 4.083 -9.628 12.017
531 2HD ARG 15 1HD ARG 15 4.719 -9.225 10.386
532 HE ARG 15 HE ARG 15 3.604 -7.251 12.385
533 1HH1 ARG 15 2HH1 ARG 15 4.548 -7.343 9.009
534 2HH1 ARG 15 1HH1 ARG 15 5.716 -6.048 9.179
535 1HH2 ARG 15 2HH2 ARG 15 4.734 -5.152 12.295
536 2HH2 ARG 15 1HH2 ARG 15 5.379 -4.789 10.733
537 H GLN 16 H GLN 16 -2.242 -8.513 11.280
538 HA GLN 16 HA GLN 16 -3.120 -10.480 13.282
539 1HB GLN 16 2HB GLN 16 -4.542 -7.814 12.502
540 2HB GLN 16 1HB GLN 16 -5.077 -8.989 13.728
541 1HG GLN 16 2HG GLN 16 -4.263 -7.493 15.168
542 2HG GLN 16 1HG GLN 16 -2.726 -8.384 14.942
543 1HE2 GLN 16 1HE2 GLN 16 -1.157 -5.701 13.166
544 2HE2 GLN 16 2HE2 GLN 16 -1.063 -7.322 13.768
545 H ARG 17 H ARG 17 -4.269 -8.788 10.508
546 HA ARG 17 HA ARG 17 -6.545 -10.308 9.671
547 1HB ARG 17 2HB ARG 17 -6.287 -7.823 9.056
548 2HB ARG 17 1HB ARG 17 -4.897 -8.206 8.007
549 1HG ARG 17 2HG ARG 17 -7.748 -9.323 7.534
550 2HG ARG 17 1HG ARG 17 -7.259 -7.709 7.008
551 1HD ARG 17 2HD ARG 17 -5.376 -9.797 5.933
552 2HD ARG 17 1HD ARG 17 -7.067 -10.046 5.379
553 HE ARG 17 HE ARG 17 -5.277 -7.714 4.972
554 1HH1 ARG 17 1HH1 ARG 17 -8.202 -9.305 3.686
555 2HH1 ARG 17 2HH1 ARG 17 -8.040 -8.226 2.269
556 1HH2 ARG 17 2HH2 ARG 17 -5.697 -6.507 2.960
557 2HH2 ARG 17 1HH2 ARG 17 -7.181 -6.788 2.161
No H/Q in entry = 557
Start of MODEL 5
1 H4* G 1 H4* G 1 10.805 -11.919 4.496
2 H3* G 1 H3* G 1 8.648 -9.914 3.534
3 1H2* G 1 1H2* G 1 10.084 -8.191 3.802
4 2HO* G 1 2HO* G 1 10.776 -8.965 5.919
5 H1* G 1 H1* G 1 12.384 -9.745 2.987
6 H8 G 1 H8 G 1 9.310 -9.897 0.741
7 H1 G 1 H1 G 1 13.323 -4.986 -0.403
8 1H2 G 1 1H2 G 1 14.903 -5.043 1.205
9 2H2 G 1 2H2 G 1 14.660 -6.048 2.675
10 1H5* G 2 1H5* G 2 10.042 -8.982 7.977
11 2H5* G 2 2H5* G 2 8.701 -8.158 8.809
12 H4* G 2 H4* G 2 10.708 -7.000 9.218
13 H3* G 2 H3* G 2 9.154 -5.331 7.148
14 1H2* G 2 1H2* G 2 10.806 -3.508 7.851
15 2HO* G 2 2HO* G 2 10.566 -4.656 10.023
16 H1* G 2 H1* G 2 12.796 -5.053 7.674
17 H8 G 2 H8 G 2 10.887 -6.501 4.808
18 H1 G 2 H1 G 2 13.523 -0.904 3.238
19 1H2 G 2 1H2 G 2 14.469 0.073 4.926
20 2H2 G 2 2H2 G 2 13.856 -0.169 6.567
21 1H5* C 3 1H5* C 3 9.553 -1.945 11.035
22 2H5* C 3 2H5* C 3 7.820 -1.477 11.143
23 H4* C 3 H4* C 3 9.391 0.444 10.523
24 H3* C 3 H3* C 3 7.431 -0.430 8.356
25 1H2* C 3 1H2* C 3 8.171 1.339 6.916
26 2HO* C 3 2HO* C 3 8.534 3.095 7.823
27 H1* C 3 H1* C 3 10.640 1.021 7.295
28 1H4 C 3 1H4 C 3 9.116 -2.293 2.047
29 2H4 C 3 2H4 C 3 8.765 -3.729 3.013
30 H5 C 3 H5 C 3 8.859 -3.726 5.319
31 H6 C 3 H6 C 3 9.279 -2.428 7.359
32 1H5* U 4 1H5* U 4 6.541 3.759 9.724
33 2H5* U 4 2H5* U 4 4.938 4.521 9.454
34 H4* U 4 H4* U 4 6.822 5.609 8.175
35 H3* U 4 H3* U 4 4.572 4.266 6.600
36 1H2* U 4 1H2* U 4 5.528 5.118 4.550
37 2HO* U 4 2HO* U 4 6.073 7.114 5.416
38 H1* U 4 H1* U 4 7.981 4.481 5.074
39 H3 U 4 H3 U 4 6.746 1.365 1.987
40 H5 U 4 H5 U 4 5.717 -0.463 5.655
41 H6 U 4 H6 U 4 6.308 1.714 6.720
42 1H5* G 5 1H5* G 5 5.754 8.720 4.858
43 2H5* G 5 2H5* G 5 4.215 9.399 4.476
44 H4* G 5 H4* G 5 6.009 9.044 2.430
45 H3* G 5 H3* G 5 3.196 9.287 2.598
46 1H2* G 5 1H2* G 5 3.005 6.953 2.252
47 2HO* G 5 2HO* G 5 2.979 8.782 0.224
48 H1* G 5 H1* G 5 4.856 7.044 0.011
49 H8 G 5 H8 G 5 4.090 5.111 3.158
50 H1 G 5 H1 G 5 4.289 1.149 -1.884
51 1H2 G 5 1H2 G 5 4.898 2.090 -3.621
52 2H2 G 5 2H2 G 5 5.102 3.835 -3.843
53 1H5* G 6 1H5* G 6 4.184 12.101 -2.656
54 2H5* G 6 2H5* G 6 2.877 11.171 -1.901
55 H4* G 6 H4* G 6 5.413 9.963 -3.256
56 H3* G 6 H3* G 6 2.483 10.253 -4.049
57 1H2* G 6 1H2* G 6 3.035 8.441 -5.855
58 2HO* G 6 2HO* G 6 5.040 9.754 -5.815
59 H1* G 6 H1* G 6 4.803 7.336 -3.787
60 H8 G 6 H8 G 6 2.577 7.006 -1.460
61 H1 G 6 H1 G 6 1.605 2.033 -5.295
62 1H2 G 6 1H2 G 6 3.009 3.969 -7.811
63 2H2 G 6 2H2 G 6 2.273 2.430 -7.408
64 1H5* A 7 1H5* A 7 -0.111 11.614 -6.420
65 2H5* A 7 2H5* A 7 0.807 10.389 -5.509
66 H4* A 7 H4* A 7 1.236 10.396 -8.555
67 H3* A 7 H3* A 7 -1.328 9.554 -7.114
68 1H2* A 7 1H2* A 7 -1.739 7.837 -8.593
69 2HO* A 7 2HO* A 7 -0.661 9.444 -10.217
70 H1* A 7 H1* A 7 1.009 7.078 -8.736
71 H8 A 7 H8 A 7 0.663 7.576 -5.066
72 1H6 A 7 1H6 A 7 -1.354 3.724 -3.456
73 2H6 A 7 2H6 A 7 -1.868 2.265 -4.103
74 H2 A 7 H2 A 7 -2.218 2.924 -8.597
75 1H5* C 8 1H5* C 8 -5.529 9.406 -9.038
76 2H5* C 8 2H5* C 8 -4.310 8.626 -8.020
77 H4* C 8 H4* C 8 -4.415 7.827 -11.027
78 H3* C 8 H3* C 8 -6.552 7.273 -8.910
79 1H2* C 8 1H2* C 8 -6.740 5.001 -9.306
80 2HO* C 8 2HO* C 8 -7.041 5.153 -11.608
81 H1* C 8 H1* C 8 -4.378 4.387 -9.914
82 1H4 C 8 1H4 C 8 -5.054 2.955 -3.500
83 2H4 C 8 2H4 C 8 -4.251 4.469 -3.234
84 H5 C 8 H5 C 8 -4.077 6.201 -4.786
85 H6 C 8 H6 C 8 -4.100 6.803 -7.138
86 1H5* U 9 1H5* U 9 -8.590 4.711 -13.581
87 2H5* U 9 2H5* U 9 -10.023 5.764 -13.333
88 H4* U 9 H4* U 9 -10.304 3.283 -12.581
89 H3* U 9 H3* U 9 -10.601 5.437 -10.445
90 1H2* U 9 1H2* U 9 -11.436 3.896 -9.165
91 2HO* U 9 2HO* U 9 -12.701 2.705 -10.653
92 H1* U 9 H1* U 9 -9.661 1.852 -9.835
93 H3 U 9 H3 U 9 -9.111 2.838 -5.231
94 H5 U 9 H5 U 9 -8.278 6.421 -7.348
95 H6 U 9 H6 U 9 -8.660 5.293 -9.321
96 1H5* C 10 1H5* C 10 -15.631 4.152 -9.448
97 2H5* C 10 2H5* C 10 -13.966 4.579 -8.966
98 H4* C 10 H4* C 10 -14.943 1.625 -9.154
99 H3* C 10 H3* C 10 -14.884 3.535 -6.754
100 1H2* C 10 1H2* C 10 -14.638 1.650 -5.288
101 2HO* C 10 2HO* C 10 -15.439 0.184 -7.452
102 H1* C 10 H1* C 10 -12.439 0.878 -6.586
103 1H4 C 10 1H4 C 10 -10.930 5.433 -2.566
104 2H4 C 10 2H4 C 10 -10.542 6.708 -3.710
105 H5 C 10 H5 C 10 -11.516 6.139 -6.121
106 H6 C 10 H6 C 10 -12.411 4.306 -7.533
107 1H5* G 11 1H5* G 11 -18.069 0.814 -5.415
108 2H5* G 11 2H5* G 11 -19.526 1.639 -4.763
109 H4* G 11 H4* G 11 -18.423 0.147 -3.062
110 H3* G 11 H3* G 11 -18.121 3.117 -2.572
111 1H2* G 11 1H2* G 11 -17.364 2.517 -0.210
112 2HO* G 11 2HO* G 11 -18.786 0.415 -0.334
113 H1* G 11 H1* G 11 -15.601 0.961 -1.171
114 H8 G 11 H8 G 11 -15.365 3.167 -4.221
115 H1 G 11 H1 G 11 -12.852 6.381 0.691
116 1H2 G 11 1H2 G 11 -13.262 5.514 2.640
117 2H2 G 11 2H2 G 11 -13.988 3.900 2.868
118 1H5* U 12 1H5* U 12 -20.590 1.281 1.874
119 2H5* U 12 2H5* U 12 -21.962 2.379 2.199
120 H4* U 12 H4* U 12 -19.845 2.755 3.628
121 H3* U 12 H3* U 12 -20.948 4.904 1.780
122 1H2* U 12 1H2* U 12 -19.399 6.245 2.093
123 2HO* U 12 2HO* U 12 -19.699 6.503 4.249
124 H1* U 12 H1* U 12 -17.273 4.511 2.968
125 H3 U 12 H3 U 12 -15.691 7.681 0.042
126 H5 U 12 H5 U 12 -17.943 5.100 -2.455
127 H6 U 12 H6 U 12 -18.667 3.959 -0.318
128 1H5* A 13 1H5* A 13 -20.653 7.222 6.079
129 2H5* A 13 2H5* A 13 -22.038 8.329 5.971
130 H4* A 13 H4* A 13 -19.818 9.423 6.394
131 H3* A 13 H3* A 13 -21.143 10.291 3.795
132 1H2* A 13 1H2* A 13 -19.264 11.908 3.514
133 2HO* A 13 2HO* A 13 -18.759 12.920 5.187
134 H1* A 13 H1* A 13 -17.401 10.389 4.205
135 H8 A 13 H8 A 13 -19.553 8.111 2.384
136 1H6 A 13 1H6 A 13 -17.626 10.447 -3.126
137 2H6 A 13 2H6 A 13 -18.595 9.250 -2.379
138 H2 A 13 H2 A 13 -16.229 13.196 0.415
139 1H5* C 14 1H5* C 14 -20.649 13.564 6.631
140 2H5* C 14 2H5* C 14 -21.790 14.944 6.612
141 H4* C 14 H4* C 14 -19.531 15.805 5.951
142 H3* C 14 H3* C 14 -21.411 15.544 3.784
143 1H2* C 14 1H2* C 14 -19.641 17.112 2.541
144 2HO* C 14 2HO* C 14 -19.027 17.976 4.762
145 H1* C 14 H1* C 14 -17.908 15.223 2.843
146 1H4 C 14 1H4 C 14 -20.390 12.804 -2.349
147 2H4 C 14 2H4 C 14 -21.735 12.063 -1.570
148 H5 C 14 H5 C 14 -21.616 11.898 1.006
149 H6 C 14 H6 C 14 -20.705 13.001 3.013
150 1H5* U 15 1H5* U 15 -20.107 20.885 3.624
151 2H5* U 15 2H5* U 15 -21.782 21.504 3.415
152 H4* U 15 H4* U 15 -20.300 21.454 1.352
153 H3* U 15 H3* U 15 -22.671 19.519 1.209
154 1H2* U 15 1H2* U 15 -22.384 19.243 -0.933
155 2HO* U 15 2HO* U 15 -20.226 21.127 -0.790
156 H1* U 15 H1* U 15 -19.807 18.681 -0.700
157 H3 U 15 H3 U 15 -22.574 15.209 -1.830
158 H5 U 15 H5 U 15 -22.801 15.594 2.450
159 H6 U 15 H6 U 15 -21.469 17.640 2.157
160 1H5* U 16 1H5* U 16 -26.026 21.628 -2.689
161 2H5* U 16 2H5* U 16 -25.371 19.998 -2.933
162 H4* U 16 H4* U 16 -25.338 21.579 -4.893
163 H3* U 16 H3* U 16 -23.417 19.732 -4.985
164 1H2* U 16 1H2* U 16 -22.083 20.959 -3.309
165 2HO* U 16 2HO* U 16 -20.467 20.334 -4.779
166 H1* U 16 H1* U 16 -22.263 23.068 -5.387
167 H3 U 16 H3 U 16 -19.206 25.766 -3.082
168 H5 U 16 H5 U 16 -21.254 23.624 -0.027
169 H6 U 16 H6 U 16 -22.560 22.576 -1.862
170 1H5* C 17 1H5* C 17 -22.337 18.889 -7.431
171 2H5* C 17 2H5* C 17 -23.056 18.304 -8.972
172 H4* C 17 H4* C 17 -22.720 16.450 -7.633
173 H3* C 17 H3* C 17 -25.484 17.193 -8.015
174 1H2* C 17 1H2* C 17 -25.916 17.344 -5.691
175 2HO* C 17 2HO* C 17 -26.138 14.793 -6.872
176 H1* C 17 H1* C 17 -23.928 15.168 -5.409
177 1H4 C 17 1H4 C 17 -25.119 18.153 0.405
178 2H4 C 17 2H4 C 17 -25.575 16.514 0.834
179 H5 C 17 H5 C 17 -23.913 18.769 -1.962
180 H6 C 17 H6 C 17 -23.803 18.190 -4.007
181 1H5* G 18 1H5* G 18 -20.423 13.819 -10.124
182 2H5* G 18 2H5* G 18 -20.389 14.727 -8.577
183 H4* G 18 H4* G 18 -21.037 15.954 -11.343
184 H3* G 18 H3* G 18 -18.232 16.331 -10.176
185 1H2* G 18 1H2* G 18 -18.073 18.325 -10.502
186 2HO* G 18 2HO* G 18 -18.718 18.387 -12.711
187 H1* G 18 H1* G 18 -20.692 19.093 -9.917
188 H8 G 18 H8 G 18 -18.670 20.198 -8.580
189 H1 G 18 H1 G 18 -20.417 16.577 -3.516
190 1H2 G 18 1H2 G 18 -21.892 14.575 -5.808
191 2H2 G 18 2H2 G 18 -21.354 14.674 -4.138
192 1H5* G 19 1H5* G 19 -14.604 15.511 -11.308
193 2H5* G 19 2H5* G 19 -16.174 14.927 -10.691
194 H4* G 19 H4* G 19 -14.735 17.521 -9.711
195 H3* G 19 H3* G 19 -15.008 14.698 -8.572
196 1H2* G 19 1H2* G 19 -14.741 15.722 -6.309
197 2HO* G 19 2HO* G 19 -13.165 16.961 -6.310
198 H1* G 19 H1* G 19 -16.291 17.763 -6.824
199 H8 G 19 H8 G 19 -18.178 14.713 -8.223
200 H1 G 19 H1 G 19 -18.344 14.546 -1.867
201 1H2 G 19 1H2 G 19 -17.146 16.131 -0.892
202 2H2 G 19 2H2 G 19 -16.032 17.155 -1.804
203 1H5* U 20 1H5* U 20 -10.735 16.345 -7.254
204 2H5* U 20 2H5* U 20 -9.578 15.108 -6.663
205 H4* U 20 H4* U 20 -10.603 16.542 -4.811
206 H3* U 20 H3* U 20 -11.293 13.536 -4.760
207 1H2* U 20 1H2* U 20 -12.246 13.889 -2.747
208 2HO* U 20 2HO* U 20 -11.345 15.312 -1.395
209 H1* U 20 H1* U 20 -13.626 16.136 -3.383
210 H3 U 20 H3 U 20 -16.070 12.154 -2.378
211 H5 U 20 H5 U 20 -15.470 12.188 -6.551
212 H6 U 20 H6 U 20 -13.899 14.104 -6.195
213 1H5* A 21 1H5* A 21 -9.327 15.816 -0.960
214 2H5* A 21 2H5* A 21 -8.104 14.781 -0.181
215 H4* A 21 H4* A 21 -9.907 15.600 1.449
216 H3* A 21 H3* A 21 -9.607 12.692 0.803
217 1H2* A 21 1H2* A 21 -11.357 12.199 2.770
218 2HO* A 21 2HO* A 21 -10.254 14.089 3.642
219 H1* A 21 H1* A 21 -13.046 13.765 1.795
220 H8 A 21 H8 A 21 -11.589 13.095 -1.374
221 1H6 A 21 1H6 A 21 -15.189 8.281 -2.073
222 2H6 A 21 2H6 A 21 -14.032 9.478 -2.635
223 H2 A 21 H2 A 21 -15.201 9.491 2.476
224 1H5* C 22 1H5* C 22 -9.040 12.532 5.249
225 2H5* C 22 2H5* C 22 -7.704 11.496 5.823
226 H4* C 22 H4* C 22 -9.926 10.657 6.639
227 H3* C 22 H3* C 22 -8.464 9.016 4.594
228 1H2* C 22 1H2* C 22 -10.206 7.394 4.280
229 2HO* C 22 2HO* C 22 -11.078 8.435 6.678
230 H1* C 22 H1* C 22 -12.398 9.177 4.563
231 1H4 C 22 1H4 C 22 -11.842 8.163 -1.638
232 2H4 C 22 2H4 C 22 -10.775 9.574 -1.862
233 H5 C 22 H5 C 22 -10.083 10.775 0.043
234 H6 C 22 H6 C 22 -10.129 10.850 2.637
235 1H5* U 23 1H5* U 23 -10.248 5.176 5.903
236 2H5* U 23 2H5* U 23 -9.413 5.438 7.458
237 H4* U 23 H4* U 23 -9.475 3.053 6.967
238 H3* U 23 H3* U 23 -6.906 4.493 7.154
239 1H2* U 23 1H2* U 23 -5.999 4.123 5.363
240 2HO* U 23 2HO* U 23 -5.884 1.370 5.787
241 H1* U 23 H1* U 23 -7.562 1.620 4.517
242 H3 U 23 H3 U 23 -7.962 2.595 -0.116
243 H5 U 23 H5 U 23 -6.029 5.905 1.463
244 H6 U 23 H6 U 23 -6.397 5.060 3.736
245 1H5* G 24 1H5* G 24 -9.251 4.995 11.654
246 2H5* G 24 2H5* G 24 -9.612 3.250 11.535
247 H4* G 24 H4* G 24 -11.840 4.174 11.289
248 H3* G 24 H3* G 24 -10.680 3.737 8.595
249 1H2* G 24 1H2* G 24 -11.674 5.287 7.827
250 2HO* G 24 2HO* G 24 -13.474 3.501 8.362
251 H1* G 24 H1* G 24 -13.389 6.002 10.270
252 H8 G 24 H8 G 24 -10.498 7.902 9.753
253 H1 G 24 H1 G 24 -15.163 10.604 6.264
254 1H2 G 24 1H2 G 24 -16.995 9.116 6.051
255 2H2 G 24 2H2 G 24 -16.708 7.490 6.584
256 1H5* G 25 1H5* G 25 -10.364 -0.347 7.336
257 2H5* G 25 2H5* G 25 -9.686 1.056 6.448
258 H4* G 25 H4* G 25 -12.302 -0.505 5.806
259 H3* G 25 H3* G 25 -9.527 -0.282 4.469
260 1H2* G 25 1H2* G 25 -10.499 -0.687 2.466
261 2HO* G 25 2HO* G 25 -11.550 -2.592 3.242
262 H1* G 25 H1* G 25 -13.055 0.358 3.146
263 H8 G 25 H8 G 25 -10.661 2.933 3.745
264 H1 G 25 H1 G 25 -12.194 2.320 -2.417
265 1H2 G 25 1H2 G 25 -13.169 0.416 -2.792
266 2H2 G 25 2H2 G 25 -13.465 -0.827 -1.550
267 1H5* A 26 1H5* A 26 -7.322 -2.386 1.813
268 2H5* A 26 2H5* A 26 -8.516 -1.096 1.983
269 H4* A 26 H4* A 26 -9.878 -3.810 1.758
270 H3* A 26 H3* A 26 -7.713 -2.873 -0.223
271 1H2* A 26 1H2* A 26 -8.968 -3.204 -2.202
272 2HO* A 26 2HO* A 26 -9.724 -5.038 -0.664
273 H1* A 26 H1* A 26 -11.171 -2.393 -1.453
274 H8 A 26 H8 A 26 -9.499 0.069 0.637
275 1H6 A 26 1H6 A 26 -7.347 3.447 -3.972
276 2H6 A 26 2H6 A 26 -7.624 3.292 -2.270
277 H2 A 26 H2 A 26 -9.223 -0.385 -5.775
278 1H5* G 27 1H5* G 27 -8.177 -6.801 -1.803
279 2H5* G 27 2H5* G 27 -6.717 -7.814 -1.856
280 H4* G 27 H4* G 27 -7.321 -7.428 -4.153
281 H3* G 27 H3* G 27 -5.211 -5.510 -3.220
282 1H2* G 27 1H2* G 27 -4.857 -4.609 -5.485
283 2HO* G 27 2HO* G 27 -5.040 -6.608 -6.484
284 H1* G 27 H1* G 27 -7.366 -4.194 -5.828
285 H8 G 27 H8 G 27 -7.052 -3.898 -2.134
286 H1 G 27 H1 G 27 -5.137 1.342 -5.262
287 1H2 G 27 1H2 G 27 -5.210 1.076 -7.251
288 2H2 G 27 2H2 G 27 -5.372 -0.520 -7.966
289 1H5* A 28 1H5* A 28 -0.184 -7.775 -3.893
290 2H5* A 28 2H5* A 28 -1.409 -8.618 -2.956
291 H4* A 28 H4* A 28 -0.047 -6.893 -1.774
292 H3* A 28 H3* A 28 -2.864 -7.418 -1.504
293 1H2* A 28 1H2* A 28 -3.778 -5.251 -2.025
294 2HO* A 28 2HO* A 28 -4.397 -4.669 -0.138
295 H1* A 28 H1* A 28 -1.329 -3.768 -1.217
296 H8 A 28 H8 A 28 -3.177 -4.527 -4.619
297 1H6 A 28 1H6 A 28 -2.338 1.443 -5.827
298 2H6 A 28 2H6 A 28 -2.686 -0.113 -6.442
299 H2 A 28 H2 A 28 -0.921 0.603 -1.514
300 1H5* A 29 1H5* A 29 0.564 -9.321 0.155
301 2H5* A 29 2H5* A 29 0.905 -10.053 1.746
302 H4* A 29 H4* A 29 1.165 -7.108 0.866
303 H3* A 29 H3* A 29 3.153 -9.329 1.218
304 1H2* A 29 1H2* A 29 4.247 -8.533 3.115
305 2HO* A 29 2HO* A 29 4.693 -6.353 1.583
306 H1* A 29 H1* A 29 2.491 -6.429 4.101
307 H8 A 29 H8 A 29 1.029 -9.698 3.839
308 1H6 A 29 1H6 A 29 2.876 -11.183 9.526
309 2H6 A 29 2H6 A 29 1.988 -11.733 8.085
310 H2 A 29 H2 A 29 4.765 -7.261 8.373
311 1H5* A 30 1H5* A 30 2.634 -8.557 -2.314
312 2H5* A 30 2H5* A 30 4.176 -8.788 -3.186
313 H4* A 30 H4* A 30 2.320 -8.334 -4.769
314 H3* A 30 H3* A 30 4.585 -6.419 -4.465
315 1H2* A 30 1H2* A 30 3.646 -4.678 -5.131
316 2HO* A 30 2HO* A 30 3.829 -5.567 -7.269
317 H1* A 30 H1* A 30 0.788 -5.706 -5.640
318 H8 A 30 H8 A 30 1.758 -5.051 -2.236
319 1H6 A 30 1H6 A 30 1.535 0.952 -2.573
320 2H6 A 30 2H6 A 30 2.024 -0.449 -1.606
321 H2 A 30 H2 A 30 1.245 -0.530 -6.814
322 1H5* C 31 1H5* C 31 7.686 -5.037 -6.282
323 2H5* C 31 2H5* C 31 6.301 -5.145 -5.186
324 H4* C 31 H4* C 31 5.903 -3.571 -7.831
325 H3* C 31 H3* C 31 7.644 -2.818 -5.456
326 1H2* C 31 1H2* C 31 6.761 -0.419 -5.572
327 2HO* C 31 2HO* C 31 6.745 -0.928 -7.917
328 H1* C 31 H1* C 31 4.287 -1.109 -5.755
329 1H4 C 31 1H4 C 31 4.562 -1.177 0.646
330 2H4 C 31 2H4 C 31 4.953 -2.888 0.749
331 H5 C 31 H5 C 31 5.377 -4.122 -1.363
332 H6 C 31 H6 C 31 5.522 -3.963 -3.827
333 1H5* A 32 1H5* A 32 7.676 1.161 -8.364
334 2H5* A 32 2H5* A 32 9.442 1.193 -8.761
335 H4* A 32 H4* A 32 8.788 3.229 -7.429
336 H3* A 32 H3* A 32 10.328 1.069 -5.839
337 1H2* A 32 1H2* A 32 10.605 2.644 -4.131
338 2HO* A 32 2HO* A 32 10.842 4.488 -4.586
339 H1* A 32 H1* A 32 8.141 3.440 -4.162
340 H8 A 32 H8 A 32 8.417 -0.374 -4.611
341 1H6 A 32 1H6 A 32 7.495 -0.527 1.543
342 2H6 A 32 2H6 A 32 7.124 -1.429 0.050
343 H2 A 32 H2 A 32 7.786 3.759 0.212
344 1H5* G 33 1H5* G 33 13.197 4.488 -6.067
345 2H5* G 33 2H5* G 33 14.833 3.936 -5.586
346 H4* G 33 H4* G 33 13.681 5.569 -4.050
347 H3* G 33 H3* G 33 14.549 2.832 -2.916
348 1H2* G 33 1H2* G 33 13.971 3.796 -0.681
349 2HO* G 33 2HO* G 33 14.578 5.994 -1.947
350 H1* G 33 H1* G 33 11.676 4.657 -1.367
351 H8 G 33 H8 G 33 12.040 1.506 -3.544
352 H1 G 33 H1 G 33 10.120 0.576 2.569
353 1H2 G 33 1H2 G 33 10.206 2.428 3.624
354 2H2 G 33 2H2 G 33 10.703 3.958 2.910
355 1H5* C 34 1H5* C 34 17.098 5.616 0.038
356 2H5* C 34 2H5* C 34 18.758 5.225 -0.501
357 H4* C 34 H4* C 34 18.829 4.949 1.815
358 H3* C 34 H3* C 34 18.412 2.223 0.469
359 1H2* C 34 1H2* C 34 18.530 1.141 2.590
360 2HO* C 34 2HO* C 34 20.092 2.961 3.053
361 H1* C 34 H1* C 34 16.730 2.879 3.780
362 1H4 C 34 1H4 C 34 13.277 -1.727 0.515
363 2H4 C 34 2H4 C 34 12.918 -0.477 -0.635
364 H5 C 34 H5 C 34 14.043 1.526 -0.734
365 H6 C 34 H6 C 34 15.442 3.120 0.333
366 1H5* C 35 1H5* C 35 21.119 -0.632 0.287
367 2H5* C 35 2H5* C 35 19.618 -0.068 1.046
368 H4* C 35 H4* C 35 19.840 -2.300 -0.169
369 H3* C 35 H3* C 35 19.321 -0.595 -2.660
370 1H2* C 35 1H2* C 35 17.926 -2.194 -3.476
371 2HO* C 35 2HO* C 35 19.766 -3.663 -2.765
372 H1* C 35 H1* C 35 17.477 -3.408 -0.789
373 1H4 C 35 1H4 C 35 11.632 -3.686 -2.556
374 2H4 C 35 2H4 C 35 11.524 -2.294 -3.587
375 H5 C 35 H5 C 35 13.779 -0.956 -3.952
376 H6 C 35 H6 C 35 16.144 -0.823 -3.140
377 1H THR 1 1H THR 1 0.315 12.073 2.203
378 2H THR 1 2H THR 1 1.167 12.120 0.805
379 HA THR 1 HA THR 1 -1.703 12.556 0.504
380 HB THR 1 HB THR 1 -0.375 12.109 -1.453
381 HG1 THR 1 1HG THR 1 -1.551 10.492 -2.393
382 1HG2 THR 1 3HG2 THR 1 1.339 10.480 -0.577
383 2HG2 THR 1 2HG2 THR 1 0.085 9.200 -0.476
384 3HG2 THR 1 1HG2 THR 1 0.565 9.903 -2.065
385 H ARG 2 H ARG 2 -3.513 10.760 0.397
386 HA ARG 2 HA ARG 2 -4.007 9.558 2.825
387 1HB ARG 2 2HB ARG 2 -5.542 10.373 0.857
388 2HB ARG 2 1HB ARG 2 -5.147 8.837 0.050
389 1HG ARG 2 2HG ARG 2 -6.193 7.669 2.199
390 2HG ARG 2 1HG ARG 2 -6.541 9.319 2.757
391 1HD ARG 2 2HD ARG 2 -8.551 8.601 1.907
392 2HD ARG 2 1HD ARG 2 -7.949 9.667 0.564
393 HE ARG 2 HE ARG 2 -7.608 7.688 -0.717
394 1HH1 ARG 2 1HH1 ARG 2 -9.557 6.791 2.230
395 2HH1 ARG 2 2HH1 ARG 2 -10.069 5.346 1.408
396 1HH2 ARG 2 1HH2 ARG 2 -8.806 6.167 -1.660
397 2HH2 ARG 2 2HH2 ARG 2 -10.019 5.328 -0.812
398 H GLN 3 H GLN 3 -2.440 8.578 -0.168
399 HA GLN 3 HA GLN 3 -2.498 5.791 0.065
400 1HB GLN 3 2HB GLN 3 -0.840 7.680 -1.683
401 2HB GLN 3 1HB GLN 3 -0.818 5.915 -1.831
402 1HG GLN 3 2HG GLN 3 -2.463 7.695 -3.180
403 2HG GLN 3 1HG GLN 3 -2.539 5.900 -3.179
404 1HE2 GLN 3 2HE2 GLN 3 -5.581 5.744 -1.201
405 2HE2 GLN 3 1HE2 GLN 3 -3.988 5.326 -0.756
406 H ALA 4 H ALA 4 -0.801 7.842 2.006
407 HA ALA 4 HA ALA 4 1.382 5.990 2.462
408 1HB ALA 4 3HB ALA 4 1.366 8.700 3.108
409 2HB ALA 4 2HB ALA 4 0.841 8.009 4.730
410 3HB ALA 4 1HB ALA 4 2.255 7.401 3.921
411 H ARG 5 H ARG 5 -1.147 7.191 4.763
412 HA ARG 5 HA ARG 5 -1.566 5.484 6.642
413 1HB ARG 5 2HB ARG 5 -3.724 6.747 4.836
414 2HB ARG 5 1HB ARG 5 -4.065 6.082 6.451
415 1HG ARG 5 2HG ARG 5 -2.273 8.525 5.817
416 2HG ARG 5 1HG ARG 5 -3.969 8.567 6.328
417 1HD ARG 5 2HD ARG 5 -1.694 7.438 8.146
418 2HD ARG 5 1HD ARG 5 -2.339 9.125 8.191
419 HE ARG 5 HE ARG 5 -4.641 7.877 8.347
420 1HH1 ARG 5 1HH1 ARG 5 -2.106 6.557 10.358
421 2HH1 ARG 5 2HH1 ARG 5 -3.081 5.126 10.705
422 1HH2 ARG 5 2HH2 ARG 5 -5.828 6.343 8.923
423 2HH2 ARG 5 1HH2 ARG 5 -5.310 5.104 9.876
424 H ARG 6 H ARG 6 -2.958 4.956 3.488
425 HA ARG 6 HA ARG 6 -4.441 2.665 3.441
426 1HB ARG 6 2HB ARG 6 -4.109 4.524 1.686
427 2HB ARG 6 1HB ARG 6 -2.396 4.049 1.559
428 1HG ARG 6 2HG ARG 6 -3.598 3.481 -0.462
429 2HG ARG 6 1HG ARG 6 -2.648 2.216 0.318
430 1HD ARG 6 2HD ARG 6 -5.424 2.045 1.291
431 2HD ARG 6 1HD ARG 6 -5.431 2.146 -0.535
432 HE ARG 6 HE ARG 6 -3.371 0.372 0.336
433 1HH1 ARG 6 1HH2 ARG 6 -6.944 0.069 0.170
434 2HH1 ARG 6 2HH2 ARG 6 -6.414 -1.273 -0.635
435 1HH2 ARG 6 1HH1 ARG 6 -3.520 -1.911 0.537
436 2HH2 ARG 6 2HH1 ARG 6 -5.083 -2.593 0.705
437 H ASN 7 H ASN 7 -0.965 3.049 3.198
438 HA ASN 7 HA ASN 7 -0.277 0.245 2.835
439 1HB ASN 7 2HB ASN 7 1.136 2.911 2.076
440 2HB ASN 7 1HB ASN 7 2.129 1.511 2.267
441 1HD2 ASN 7 1HD2 ASN 7 0.476 2.204 -1.161
442 2HD2 ASN 7 2HD2 ASN 7 0.241 3.193 0.172
443 H ARG 8 H ARG 8 0.253 3.115 5.138
444 HA ARG 8 HA ARG 8 1.922 1.635 6.838
445 1HB ARG 8 2HB ARG 8 1.848 4.044 6.872
446 2HB ARG 8 1HB ARG 8 0.236 4.097 7.646
447 1HG ARG 8 2HG ARG 8 2.769 2.759 8.766
448 2HG ARG 8 1HG ARG 8 2.427 4.475 9.095
449 1HD ARG 8 2HD ARG 8 0.972 4.048 10.824
450 2HD ARG 8 1HD ARG 8 0.224 2.591 10.046
451 HE ARG 8 HE ARG 8 2.909 1.882 10.616
452 1HH1 ARG 8 1HH2 ARG 8 0.441 2.992 12.791
453 2HH1 ARG 8 2HH2 ARG 8 1.124 2.063 14.133
454 1HH2 ARG 8 2HH1 ARG 8 3.577 0.780 11.981
455 2HH2 ARG 8 1HH1 ARG 8 2.822 0.514 13.570
456 H ARG 9 H ARG 9 -1.679 2.104 7.079
457 HA ARG 9 HA ARG 9 -1.909 0.598 9.445
458 1HB ARG 9 2HB ARG 9 -3.553 2.339 8.665
459 2HB ARG 9 1HB ARG 9 -4.077 1.248 7.352
460 1HG ARG 9 2HG ARG 9 -4.081 0.303 10.274
461 2HG ARG 9 1HG ARG 9 -5.280 1.504 9.855
462 1HD ARG 9 2HD ARG 9 -4.985 -1.206 8.341
463 2HD ARG 9 1HD ARG 9 -5.814 -1.063 9.925
464 HE ARG 9 HE ARG 9 -6.944 0.826 8.068
465 1HH1 ARG 9 1HH1 ARG 9 -8.060 0.353 10.294
466 2HH1 ARG 9 2HH1 ARG 9 -9.430 -0.124 9.854
467 1HH2 ARG 9 1HH2 ARG 9 -8.132 -2.209 7.420
468 2HH2 ARG 9 2HH2 ARG 9 -9.150 -2.246 8.830
469 H ARG 10 H ARG 10 -1.545 -0.381 6.053
470 HA ARG 10 HA ARG 10 -2.818 -2.802 6.145
471 1HB ARG 10 2HB ARG 10 -2.341 -1.236 4.291
472 2HB ARG 10 1HB ARG 10 -0.660 -1.823 4.243
473 1HG ARG 10 2HG ARG 10 -3.042 -3.772 4.162
474 2HG ARG 10 1HG ARG 10 -2.954 -2.628 2.821
475 1HD ARG 10 2HD ARG 10 -0.680 -4.627 3.497
476 2HD ARG 10 1HD ARG 10 -1.938 -4.819 2.170
477 HE ARG 10 HE ARG 10 -0.535 -2.255 2.097
478 1HH1 ARG 10 1HH2 ARG 10 -0.373 -5.474 0.634
479 2HH1 ARG 10 2HH2 ARG 10 1.262 -5.223 0.181
480 1HH2 ARG 10 1HH1 ARG 10 0.835 -1.771 0.544
481 2HH2 ARG 10 2HH1 ARG 10 1.547 -2.969 -0.346
482 H ARG 11 H ARG 11 0.748 -2.111 6.160
483 HA ARG 11 HA ARG 11 1.594 -4.677 6.885
484 1HB ARG 11 2HB ARG 11 3.231 -2.151 7.318
485 2HB ARG 11 1HB ARG 11 3.802 -3.844 7.540
486 1HG ARG 11 2HG ARG 11 2.990 -4.237 5.049
487 2HG ARG 11 1HG ARG 11 3.066 -2.453 4.935
488 1HD ARG 11 2HD ARG 11 5.201 -2.622 4.387
489 2HD ARG 11 1HD ARG 11 5.603 -3.131 6.054
490 HE ARG 11 HE ARG 11 4.943 -5.122 3.752
491 1HH1 ARG 11 2HH1 ARG 11 6.477 -4.964 6.937
492 2HH1 ARG 11 1HH1 ARG 11 7.146 -6.520 6.583
493 1HH2 ARG 11 2HH2 ARG 11 5.885 -6.754 3.554
494 2HH2 ARG 11 1HH2 ARG 11 6.409 -7.615 4.901
495 H TRP 12 H TRP 12 0.458 -2.089 9.071
496 HA TRP 12 HA TRP 12 1.215 -3.537 11.424
497 1HB TRP 12 2HB TRP 12 1.246 -0.897 11.103
498 2HB TRP 12 1HB TRP 12 -0.452 -0.989 11.624
499 HD1 TRP 12 HD1 TRP 12 -0.544 -0.843 14.312
500 HE1 TRP 12 HE1 TRP 12 1.252 -0.987 16.206
501 HE3 TRP 12 HE3 TRP 12 3.403 -2.520 11.553
502 HZ2 TRP 12 HZ2 TRP 12 3.908 -1.861 16.490
503 HZ3 TRP 12 HZ3 TRP 12 5.491 -3.092 12.674
504 HH2 TRP 12 HH2 TRP 12 5.778 -2.739 15.119
505 H ARG 13 H ARG 13 -1.907 -3.105 9.441
506 HA ARG 13 HA ARG 13 -3.478 -4.279 11.403
507 1HB ARG 13 2HB ARG 13 -5.367 -4.389 10.048
508 2HB ARG 13 1HB ARG 13 -4.497 -2.864 9.853
509 1HG ARG 13 2HG ARG 13 -5.299 -3.135 7.820
510 2HG ARG 13 1HG ARG 13 -3.669 -3.855 7.543
511 1HD ARG 13 2HD ARG 13 -4.734 -6.087 7.240
512 2HD ARG 13 1HD ARG 13 -6.217 -5.501 8.076
513 HE ARG 13 HE ARG 13 -6.847 -4.203 6.061
514 1HH1 ARG 13 1HH2 ARG 13 -3.873 -5.867 5.215
515 2HH1 ARG 13 2HH2 ARG 13 -4.404 -6.047 3.596
516 1HH2 ARG 13 1HH1 ARG 13 -7.614 -5.174 4.102
517 2HH2 ARG 13 2HH1 ARG 13 -6.455 -5.762 2.975
518 H GLU 14 H GLU 14 -1.768 -5.777 8.656
519 HA GLU 14 HA GLU 14 -2.394 -8.410 8.682
520 1HB GLU 14 2HB GLU 14 0.535 -7.677 8.873
521 2HB GLU 14 1HB GLU 14 -0.215 -9.053 8.012
522 1HG GLU 14 2HG GLU 14 -0.048 -6.104 7.246
523 2HG GLU 14 1HG GLU 14 0.612 -7.502 6.414
524 H ARG 15 H ARG 15 -0.422 -6.929 11.327
525 HA ARG 15 HA ARG 15 0.126 -9.268 12.757
526 1HB ARG 15 2HB ARG 15 0.410 -6.303 13.246
527 2HB ARG 15 1HB ARG 15 0.133 -7.246 14.722
528 1HG ARG 15 2HG ARG 15 2.548 -6.995 14.383
529 2HG ARG 15 1HG ARG 15 1.978 -8.682 14.388
530 1HD ARG 15 2HD ARG 15 3.687 -8.631 12.744
531 2HD ARG 15 1HD ARG 15 2.161 -8.759 11.812
532 HE ARG 15 HE ARG 15 2.447 -6.366 11.115
533 1HH1 ARG 15 1HH1 ARG 15 5.323 -6.944 13.266
534 2HH1 ARG 15 2HH1 ARG 15 6.182 -6.047 11.997
535 1HH2 ARG 15 2HH2 ARG 15 3.502 -5.314 10.033
536 2HH2 ARG 15 1HH2 ARG 15 5.157 -4.963 10.463
537 H GLN 16 H GLN 16 -2.732 -7.202 12.922
538 HA GLN 16 HA GLN 16 -3.949 -8.909 14.954
539 1HB GLN 16 2HB GLN 16 -5.793 -7.382 15.190
540 2HB GLN 16 1HB GLN 16 -4.225 -6.586 15.463
541 1HG GLN 16 2HG GLN 16 -5.666 -4.983 14.409
542 2HG GLN 16 1HG GLN 16 -4.359 -5.411 13.270
543 1HE2 GLN 16 1HE2 GLN 16 -8.206 -6.642 12.335
544 2HE2 GLN 16 2HE2 GLN 16 -7.759 -6.646 14.043
545 H ARG 17 H ARG 17 -4.334 -7.990 11.531
546 HA ARG 17 HA ARG 17 -6.482 -9.756 10.881
547 1HB ARG 17 2HB ARG 17 -6.152 -7.685 9.540
548 2HB ARG 17 1HB ARG 17 -4.504 -8.144 9.081
549 1HG ARG 17 2HG ARG 17 -6.889 -9.896 8.196
550 2HG ARG 17 1HG ARG 17 -6.603 -8.334 7.397
551 1HD ARG 17 2HD ARG 17 -4.381 -10.465 7.446
552 2HD ARG 17 1HD ARG 17 -5.743 -10.581 6.286
553 HE ARG 17 HE ARG 17 -3.560 -8.509 6.239
554 1HH1 ARG 17 1HH1 ARG 17 -6.599 -8.819 4.661
555 2HH1 ARG 17 2HH1 ARG 17 -5.869 -8.363 3.144
556 1HH2 ARG 17 2HH2 ARG 17 -2.679 -8.059 4.441
557 2HH2 ARG 17 1HH2 ARG 17 -3.450 -8.280 3.030
No H/Q in entry = 557
Start of MODEL 6
1 H4* G 1 H4* G 1 13.836 -10.324 7.151
2 H3* G 1 H3* G 1 11.402 -8.643 6.252
3 1H2* G 1 1H2* G 1 12.581 -6.794 6.179
4 2HO* G 1 2HO* G 1 13.149 -6.982 8.462
5 H1* G 1 H1* G 1 15.245 -8.043 6.031
6 H8 G 1 H8 G 1 12.800 -8.300 3.198
7 H1 G 1 H1 G 1 16.547 -3.098 2.822
8 1H2 G 1 1H2 G 1 17.739 -2.926 4.667
9 2H2 G 1 2H2 G 1 17.523 -4.042 6.043
10 1H5* G 2 1H5* G 2 13.000 -6.525 11.041
11 2H5* G 2 2H5* G 2 11.303 -6.250 11.510
12 H4* G 2 H4* G 2 12.625 -4.180 11.682
13 H3* G 2 H3* G 2 10.674 -4.053 9.333
14 1H2* G 2 1H2* G 2 11.392 -1.853 8.846
15 2HO* G 2 2HO* G 2 11.647 -0.465 10.340
16 H1* G 2 H1* G 2 13.842 -2.130 9.374
17 H8 G 2 H8 G 2 12.440 -5.107 7.367
18 H1 G 2 H1 G 2 13.969 0.210 4.027
19 1H2 G 2 1H2 G 2 14.648 1.835 5.603
20 2H2 G 2 2H2 G 2 14.332 1.496 7.298
21 1H5* C 3 1H5* C 3 9.963 -0.689 12.054
22 2H5* C 3 2H5* C 3 8.298 -0.189 12.476
23 H4* C 3 H4* C 3 9.355 1.699 11.484
24 H3* C 3 H3* C 3 7.820 0.337 9.152
25 1H2* C 3 1H2* C 3 8.263 2.421 7.969
26 2HO* C 3 2HO* C 3 8.164 3.743 9.976
27 H1* C 3 H1* C 3 10.930 2.108 8.461
28 1H4 C 3 1H4 C 3 9.966 -2.028 3.515
29 2H4 C 3 2H4 C 3 9.520 -3.336 4.616
30 H5 C 3 H5 C 3 9.218 -2.909 6.973
31 H6 C 3 H6 C 3 9.516 -1.267 8.789
32 1H5* U 4 1H5* U 4 4.589 2.535 7.075
33 2H5* U 4 2H5* U 4 6.217 2.033 7.548
34 H4* U 4 H4* U 4 6.168 5.021 7.493
35 H3* U 4 H3* U 4 5.074 3.442 5.106
36 1H2* U 4 1H2* U 4 6.325 4.819 3.474
37 2HO* U 4 2HO* U 4 6.058 6.746 4.692
38 H1* U 4 H1* U 4 8.478 4.588 4.611
39 H3 U 4 H3 U 4 7.557 1.106 1.272
40 H5 U 4 H5 U 4 7.443 -0.686 4.986
41 H6 U 4 H6 U 4 7.489 1.573 6.019
42 1H5* G 5 1H5* G 5 5.699 8.810 4.317
43 2H5* G 5 2H5* G 5 4.045 9.317 4.089
44 H4* G 5 H4* G 5 5.606 9.286 1.948
45 H3* G 5 H3* G 5 2.827 8.976 2.304
46 1H2* G 5 1H2* G 5 3.055 6.705 2.269
47 2HO* G 5 2HO* G 5 2.508 6.193 -0.229
48 H1* G 5 H1* G 5 4.628 6.751 -0.183
49 H8 G 5 H8 G 5 4.358 5.141 3.131
50 H1 G 5 H1 G 5 4.806 0.854 -1.711
51 1H2 G 5 1H2 G 5 4.895 1.800 -3.544
52 2H2 G 5 2H2 G 5 4.977 3.536 -3.738
53 1H5* G 6 1H5* G 6 4.978 12.939 -1.973
54 2H5* G 6 2H5* G 6 3.261 13.202 -1.595
55 H4* G 6 H4* G 6 4.200 11.994 -3.889
56 H3* G 6 H3* G 6 1.716 11.029 -2.368
57 1H2* G 6 1H2* G 6 1.197 9.843 -3.728
58 2HO* G 6 2HO* G 6 1.282 11.015 -5.685
59 H1* G 6 H1* G 6 4.031 9.373 -4.736
60 H8 G 6 H8 G 6 3.084 8.091 -1.348
61 H1 G 6 H1 G 6 2.564 3.649 -5.899
62 1H2 G 6 1H2 G 6 3.125 4.680 -8.006
63 2H2 G 6 2H2 G 6 3.251 6.441 -8.077
64 1H5* A 7 1H5* A 7 -1.938 12.315 -6.821
65 2H5* A 7 2H5* A 7 -2.000 11.157 -5.461
66 H4* A 7 H4* A 7 -0.522 10.804 -8.179
67 H3* A 7 H3* A 7 -2.741 9.350 -6.641
68 1H2* A 7 1H2* A 7 -2.381 7.449 -7.795
69 2HO* A 7 2HO* A 7 -2.470 7.592 -9.701
70 H1* A 7 H1* A 7 0.441 8.123 -8.170
71 H8 A 7 H8 A 7 0.206 7.752 -4.765
72 1H6 A 7 1H6 A 7 -0.802 1.899 -4.427
73 2H6 A 7 2H6 A 7 -0.158 3.382 -3.777
74 H2 A 7 H2 A 7 -1.652 2.946 -8.711
75 1H5* C 8 1H5* C 8 -3.787 8.928 -10.660
76 2H5* C 8 2H5* C 8 -5.425 8.922 -11.388
77 H4* C 8 H4* C 8 -4.436 6.631 -11.420
78 H3* C 8 H3* C 8 -6.751 7.085 -9.461
79 1H2* C 8 1H2* C 8 -6.682 5.119 -8.715
80 2HO* C 8 2HO* C 8 -6.810 4.032 -10.928
81 H1* C 8 H1* C 8 -4.010 4.434 -9.538
82 1H4 C 8 1H4 C 8 -4.728 2.640 -3.448
83 2H4 C 8 2H4 C 8 -4.637 4.296 -2.889
84 H5 C 8 H5 C 8 -4.679 6.224 -4.474
85 H6 C 8 H6 C 8 -4.726 6.851 -6.762
86 1H5* U 9 1H5* U 9 -7.908 2.584 -13.209
87 2H5* U 9 2H5* U 9 -9.467 3.451 -13.333
88 H4* U 9 H4* U 9 -9.530 1.125 -12.032
89 H3* U 9 H3* U 9 -10.543 3.699 -10.820
90 1H2* U 9 1H2* U 9 -10.804 2.767 -8.937
91 2HO* U 9 2HO* U 9 -12.280 1.124 -9.360
92 H1* U 9 H1* U 9 -9.139 0.442 -9.195
93 H3 U 9 H3 U 9 -8.458 1.643 -4.852
94 H5 U 9 H5 U 9 -7.816 5.253 -7.016
95 H6 U 9 H6 U 9 -8.301 4.011 -9.026
96 1H5* C 10 1H5* C 10 -15.059 3.926 -9.997
97 2H5* C 10 2H5* C 10 -13.355 3.650 -9.565
98 H4* C 10 H4* C 10 -15.375 1.313 -9.257
99 H3* C 10 H3* C 10 -14.918 3.720 -7.412
100 1H2* C 10 1H2* C 10 -15.269 2.320 -5.487
101 2HO* C 10 2HO* C 10 -16.701 1.119 -5.518
102 H1* C 10 H1* C 10 -13.826 0.379 -6.307
103 1H4 C 10 1H4 C 10 -10.990 4.690 -2.460
104 2H4 C 10 2H4 C 10 -10.007 5.362 -3.788
105 H5 C 10 H5 C 10 -10.652 4.815 -6.112
106 H6 C 10 H6 C 10 -12.050 3.233 -7.517
107 1H5* G 11 1H5* G 11 -18.733 1.913 -6.580
108 2H5* G 11 2H5* G 11 -20.128 2.891 -6.015
109 H4* G 11 H4* G 11 -19.328 1.193 -4.299
110 H3* G 11 H3* G 11 -19.206 4.158 -3.735
111 1H2* G 11 1H2* G 11 -18.047 3.902 -1.660
112 2HO* G 11 2HO* G 11 -19.029 2.661 -0.483
113 H1* G 11 H1* G 11 -16.608 1.956 -2.137
114 H8 G 11 H8 G 11 -15.976 4.057 -5.301
115 H1 G 11 H1 G 11 -13.174 6.460 -0.126
116 1H2 G 11 1H2 G 11 -13.882 5.489 1.711
117 2H2 G 11 2H2 G 11 -15.049 4.175 1.729
118 1H5* U 12 1H5* U 12 -21.556 2.328 -0.329
119 2H5* U 12 2H5* U 12 -22.896 3.298 0.371
120 H4* U 12 H4* U 12 -20.924 3.272 1.931
121 H3* U 12 H3* U 12 -21.580 5.925 0.615
122 1H2* U 12 1H2* U 12 -19.864 6.933 1.622
123 2HO* U 12 2HO* U 12 -19.994 6.523 3.696
124 H1* U 12 H1* U 12 -18.059 4.895 1.747
125 H3 U 12 H3 U 12 -16.074 8.344 -0.587
126 H5 U 12 H5 U 12 -18.752 6.707 -3.386
127 H6 U 12 H6 U 12 -19.568 5.214 -1.533
128 1H5* A 13 1H5* A 13 -21.364 6.686 5.541
129 2H5* A 13 2H5* A 13 -22.510 8.034 5.743
130 H4* A 13 H4* A 13 -20.121 8.483 6.514
131 H3* A 13 H3* A 13 -21.136 10.256 4.271
132 1H2* A 13 1H2* A 13 -19.187 11.604 4.542
133 2HO* A 13 2HO* A 13 -18.390 12.003 6.230
134 H1* A 13 H1* A 13 -17.503 9.659 4.663
135 H8 A 13 H8 A 13 -20.056 8.739 2.137
136 1H6 A 13 1H6 A 13 -17.177 12.121 -2.043
137 2H6 A 13 2H6 A 13 -18.366 10.896 -1.630
138 H2 A 13 H2 A 13 -15.172 12.950 2.060
139 1H5* C 14 1H5* C 14 -20.171 13.002 7.554
140 2H5* C 14 2H5* C 14 -21.068 14.563 7.564
141 H4* C 14 H4* C 14 -18.582 14.921 6.996
142 H3* C 14 H3* C 14 -20.491 15.543 4.954
143 1H2* C 14 1H2* C 14 -18.274 16.580 3.800
144 2HO* C 14 2HO* C 14 -17.640 16.768 6.223
145 H1* C 14 H1* C 14 -17.039 14.397 4.074
146 1H4 C 14 1H4 C 14 -19.640 13.841 -1.713
147 2H4 C 14 2H4 C 14 -21.229 13.458 -1.203
148 H5 C 14 H5 C 14 -21.227 12.333 1.447
149 H6 C 14 H6 C 14 -20.247 12.841 3.612
150 1H5* U 15 1H5* U 15 -17.646 19.153 5.404
151 2H5* U 15 2H5* U 15 -18.481 20.737 5.451
152 H4* U 15 H4* U 15 -17.235 20.605 3.321
153 H3* U 15 H3* U 15 -20.206 20.076 2.866
154 1H2* U 15 1H2* U 15 -19.968 20.090 0.676
155 2HO* U 15 2HO* U 15 -17.987 20.650 -0.439
156 H1* U 15 H1* U 15 -17.988 18.597 0.567
157 H3 U 15 H3 U 15 -21.694 16.193 -0.807
158 H5 U 15 H5 U 15 -21.624 16.019 3.478
159 H6 U 15 H6 U 15 -19.832 17.621 3.371
160 1H5* U 16 1H5* U 16 -21.874 24.952 0.451
161 2H5* U 16 2H5* U 16 -22.091 23.442 -0.472
162 H4* U 16 H4* U 16 -21.192 25.439 -1.772
163 H3* U 16 H3* U 16 -20.226 22.973 -2.545
164 1H2* U 16 1H2* U 16 -18.714 22.877 -0.690
165 2HO* U 16 2HO* U 16 -17.724 22.416 -2.904
166 H1* U 16 H1* U 16 -17.749 25.457 -1.816
167 H3 U 16 H3 U 16 -14.931 26.964 1.671
168 H5 U 16 H5 U 16 -16.661 23.315 3.057
169 H6 U 16 H6 U 16 -18.042 23.349 1.056
170 1H5* C 17 1H5* C 17 -19.936 22.782 -5.345
171 2H5* C 17 2H5* C 17 -20.924 23.291 -6.745
172 H4* C 17 H4* C 17 -21.745 21.308 -6.192
173 H3* C 17 H3* C 17 -23.538 23.490 -5.035
174 1H2* C 17 1H2* C 17 -24.043 22.188 -3.151
175 2HO* C 17 2HO* C 17 -25.030 20.495 -5.265
176 H1* C 17 H1* C 17 -22.949 19.725 -4.386
177 1H4 C 17 1H4 C 17 -22.523 20.360 2.203
178 2H4 C 17 2H4 C 17 -23.428 18.859 2.225
179 H5 C 17 H5 C 17 -21.345 21.296 0.258
180 H6 C 17 H6 C 17 -21.445 21.629 -1.881
181 1H5* G 18 1H5* G 18 -22.211 18.662 -9.071
182 2H5* G 18 2H5* G 18 -21.840 19.113 -7.384
183 H4* G 18 H4* G 18 -20.234 19.959 -9.961
184 H3* G 18 H3* G 18 -19.390 18.955 -7.615
185 1H2* G 18 1H2* G 18 -17.126 19.967 -8.329
186 2HO* G 18 2HO* G 18 -18.244 20.170 -10.691
187 H1* G 18 H1* G 18 -18.418 22.356 -8.232
188 H8 G 18 H8 G 18 -16.786 22.384 -6.313
189 H1 G 18 H1 G 18 -19.975 18.294 -2.545
190 1H2 G 18 1H2 G 18 -21.975 17.741 -5.208
191 2H2 G 18 2H2 G 18 -21.665 17.474 -3.497
192 1H5* G 19 1H5* G 19 -14.802 16.509 -10.122
193 2H5* G 19 2H5* G 19 -16.105 16.103 -8.977
194 H4* G 19 H4* G 19 -13.987 18.372 -8.754
195 H3* G 19 H3* G 19 -14.597 15.881 -7.043
196 1H2* G 19 1H2* G 19 -14.343 17.143 -4.957
197 2HO* G 19 2HO* G 19 -12.560 18.279 -5.079
198 H1* G 19 H1* G 19 -15.625 19.184 -5.552
199 H8 G 19 H8 G 19 -17.702 17.093 -7.591
200 H1 G 19 H1 G 19 -18.771 15.646 -1.395
201 1H2 G 19 1H2 G 19 -17.271 16.367 -0.126
202 2H2 G 19 2H2 G 19 -16.053 17.492 -0.719
203 1H5* U 20 1H5* U 20 -10.479 17.552 -6.189
204 2H5* U 20 2H5* U 20 -9.075 16.566 -5.682
205 H4* U 20 H4* U 20 -9.810 18.141 -3.886
206 H3* U 20 H3* U 20 -10.222 15.152 -3.414
207 1H2* U 20 1H2* U 20 -10.853 15.640 -1.145
208 2HO* U 20 2HO* U 20 -9.341 17.757 -1.521
209 H1* U 20 H1* U 20 -12.540 17.686 -1.834
210 H3 U 20 H3 U 20 -15.383 13.957 -0.859
211 H5 U 20 H5 U 20 -14.910 14.137 -5.030
212 H6 U 20 H6 U 20 -13.138 15.718 -4.725
213 1H5* A 21 1H5* A 21 -7.618 14.998 1.094
214 2H5* A 21 2H5* A 21 -8.711 16.225 0.412
215 H4* A 21 H4* A 21 -9.806 15.283 2.313
216 H3* A 21 H3* A 21 -9.337 12.528 1.099
217 1H2* A 21 1H2* A 21 -11.400 11.807 2.466
218 2HO* A 21 2HO* A 21 -10.540 13.744 3.955
219 H1* A 21 H1* A 21 -12.749 13.731 1.762
220 H8 A 21 H8 A 21 -11.313 13.616 -1.452
221 1H6 A 21 1H6 A 21 -14.951 8.891 -3.010
222 2H6 A 21 2H6 A 21 -13.844 10.189 -3.471
223 H2 A 21 H2 A 21 -14.832 9.312 1.697
224 1H5* C 22 1H5* C 22 -10.054 11.825 5.442
225 2H5* C 22 2H5* C 22 -8.642 11.080 6.245
226 H4* C 22 H4* C 22 -10.614 9.794 6.889
227 H3* C 22 H3* C 22 -9.024 8.420 4.754
228 1H2* C 22 1H2* C 22 -10.514 6.595 4.482
229 2HO* C 22 2HO* C 22 -11.841 7.369 6.840
230 H1* C 22 H1* C 22 -12.908 8.240 4.529
231 1H4 C 22 1H4 C 22 -11.894 8.271 -1.809
232 2H4 C 22 2H4 C 22 -10.587 9.398 -1.541
233 H5 C 22 H5 C 22 -10.299 10.456 0.532
234 H6 C 22 H6 C 22 -10.545 10.308 2.944
235 1H5* U 23 1H5* U 23 -9.961 4.544 6.773
236 2H5* U 23 2H5* U 23 -8.654 4.721 7.985
237 H4* U 23 H4* U 23 -8.943 2.362 7.047
238 H3* U 23 H3* U 23 -6.388 3.898 7.096
239 1H2* U 23 1H2* U 23 -5.515 3.357 5.170
240 2HO* U 23 2HO* U 23 -5.918 0.971 6.394
241 H1* U 23 H1* U 23 -7.573 1.203 4.604
242 H3 U 23 H3 U 23 -8.112 2.006 0.168
243 H5 U 23 H5 U 23 -5.782 5.303 1.387
244 H6 U 23 H6 U 23 -6.048 4.525 3.715
245 1H5* G 24 1H5* G 24 -8.343 4.642 10.787
246 2H5* G 24 2H5* G 24 -7.275 3.665 11.840
247 H4* G 24 H4* G 24 -8.570 1.629 11.465
248 H3* G 24 H3* G 24 -9.416 2.328 9.001
249 1H2* G 24 1H2* G 24 -10.523 4.132 9.778
250 2HO* G 24 2HO* G 24 -12.043 2.195 8.836
251 H1* G 24 H1* G 24 -11.878 2.451 12.058
252 H8 G 24 H8 G 24 -9.994 5.464 11.470
253 H1 G 24 H1 G 24 -15.449 6.940 14.466
254 1H2 G 24 1H2 G 24 -16.177 3.590 14.263
255 2H2 G 24 2H2 G 24 -16.684 5.181 14.809
256 1H5* G 25 1H5* G 25 -9.230 -0.568 6.920
257 2H5* G 25 2H5* G 25 -9.867 0.870 6.050
258 H4* G 25 H4* G 25 -11.521 -1.698 6.260
259 H3* G 25 H3* G 25 -9.276 -0.877 4.270
260 1H2* G 25 1H2* G 25 -10.347 -1.256 2.510
261 2HO* G 25 2HO* G 25 -10.899 -3.438 3.383
262 H1* G 25 H1* G 25 -12.991 -0.819 3.316
263 H8 G 25 H8 G 25 -10.878 2.084 4.330
264 H1 G 25 H1 G 25 -12.695 2.183 -1.814
265 1H2 G 25 1H2 G 25 -13.528 0.285 -2.357
266 2H2 G 25 2H2 G 25 -13.625 -1.132 -1.285
267 1H5* A 26 1H5* A 26 -8.186 -6.173 2.196
268 2H5* A 26 2H5* A 26 -7.449 -4.581 1.915
269 H4* A 26 H4* A 26 -10.387 -5.438 1.299
270 H3* A 26 H3* A 26 -7.921 -4.868 -0.496
271 1H2* A 26 1H2* A 26 -9.568 -4.453 -2.345
272 2HO* A 26 2HO* A 26 -10.454 -6.337 -1.084
273 H1* A 26 H1* A 26 -11.458 -3.459 -0.516
274 H8 A 26 H8 A 26 -9.386 -1.199 0.968
275 1H6 A 26 1H6 A 26 -9.248 2.927 -3.420
276 2H6 A 26 2H6 A 26 -9.064 2.500 -1.736
277 H2 A 26 H2 A 26 -10.937 -0.978 -5.255
278 1H5* G 27 1H5* G 27 -9.113 -7.648 -3.239
279 2H5* G 27 2H5* G 27 -7.672 -8.606 -3.697
280 H4* G 27 H4* G 27 -8.463 -7.157 -5.522
281 H3* G 27 H3* G 27 -5.862 -6.197 -4.280
282 1H2* G 27 1H2* G 27 -5.638 -4.753 -6.382
283 2HO* G 27 2HO* G 27 -6.691 -6.761 -7.323
284 H1* G 27 H1* G 27 -8.371 -4.175 -6.292
285 H8 G 27 H8 G 27 -7.686 -3.961 -2.739
286 H1 G 27 H1 G 27 -5.399 1.362 -5.631
287 1H2 G 27 1H2 G 27 -5.423 1.203 -7.705
288 2H2 G 27 2H2 G 27 -6.007 -0.212 -8.554
289 1H5* A 28 1H5* A 28 -1.495 -7.113 -4.579
290 2H5* A 28 2H5* A 28 -2.306 -8.424 -3.648
291 H4* A 28 H4* A 28 -1.403 -6.892 -2.116
292 H3* A 28 H3* A 28 -4.211 -7.276 -2.077
293 1H2* A 28 1H2* A 28 -5.048 -5.155 -2.889
294 2HO* A 28 2HO* A 28 -4.338 -4.592 -0.309
295 H1* A 28 H1* A 28 -2.611 -3.693 -1.680
296 H8 A 28 H8 A 28 -4.175 -4.301 -5.221
297 1H6 A 28 1H6 A 28 -2.116 1.390 -6.307
298 2H6 A 28 2H6 A 28 -3.221 0.137 -6.912
299 H2 A 28 H2 A 28 -1.037 0.460 -2.181
300 1H5* A 29 1H5* A 29 -0.589 -3.472 0.293
301 2H5* A 29 2H5* A 29 -0.297 -4.439 -1.187
302 H4* A 29 H4* A 29 1.785 -3.576 -0.381
303 H3* A 29 H3* A 29 1.295 -6.540 0.030
304 1H2* A 29 1H2* A 29 3.011 -6.920 0.830
305 2HO* A 29 2HO* A 29 4.445 -6.118 -0.804
306 H1* A 29 H1* A 29 3.811 -4.536 2.221
307 H8 A 29 H8 A 29 4.370 -7.484 2.276
308 1H6 A 29 1H6 A 29 0.709 -9.692 6.757
309 2H6 A 29 2H6 A 29 1.961 -10.106 5.613
310 H2 A 29 H2 A 29 -0.400 -5.233 5.233
311 1H5* A 30 1H5* A 30 0.885 -8.081 -4.345
312 2H5* A 30 2H5* A 30 2.225 -8.544 -5.435
313 H4* A 30 H4* A 30 0.556 -7.220 -6.663
314 H3* A 30 H3* A 30 3.263 -5.984 -6.246
315 1H2* A 30 1H2* A 30 2.647 -3.960 -6.208
316 2HO* A 30 2HO* A 30 2.680 -3.545 -8.221
317 H1* A 30 H1* A 30 -0.304 -4.243 -6.720
318 H8 A 30 H8 A 30 0.500 -4.665 -3.270
319 1H6 A 30 1H6 A 30 1.128 -0.446 -1.386
320 2H6 A 30 2H6 A 30 1.582 1.128 -2.134
321 H2 A 30 H2 A 30 1.547 0.822 -6.521
322 1H5* C 31 1H5* C 31 6.510 -5.373 -8.413
323 2H5* C 31 2H5* C 31 5.337 -5.360 -7.074
324 H4* C 31 H4* C 31 5.013 -3.328 -9.412
325 H3* C 31 H3* C 31 6.934 -3.391 -7.080
326 1H2* C 31 1H2* C 31 6.809 -1.041 -6.719
327 2HO* C 31 2HO* C 31 6.234 -1.016 -9.301
328 H1* C 31 H1* C 31 4.132 -0.882 -7.073
329 1H4 C 31 1H4 C 31 4.282 -1.141 -0.555
330 2H4 C 31 2H4 C 31 4.689 -2.827 -0.638
331 H5 C 31 H5 C 31 4.636 -4.038 -2.669
332 H6 C 31 H6 C 31 4.742 -3.927 -5.156
333 1H5* A 32 1H5* A 32 8.550 -0.111 -9.107
334 2H5* A 32 2H5* A 32 10.328 -0.067 -9.020
335 H4* A 32 H4* A 32 9.328 1.873 -7.790
336 H3* A 32 H3* A 32 10.682 -0.142 -6.002
337 1H2* A 32 1H2* A 32 10.337 1.211 -4.208
338 2HO* A 32 2HO* A 32 10.663 3.364 -4.434
339 H1* A 32 H1* A 32 7.792 2.160 -4.934
340 H8 A 32 H8 A 32 8.082 -1.618 -5.407
341 1H6 A 32 1H6 A 32 7.649 -1.887 0.709
342 2H6 A 32 2H6 A 32 7.617 -2.974 -0.699
343 H2 A 32 H2 A 32 7.776 2.312 -0.371
344 1H5* G 33 1H5* G 33 12.593 4.276 -5.782
345 2H5* G 33 2H5* G 33 14.280 4.057 -5.258
346 H4* G 33 H4* G 33 12.755 5.624 -3.908
347 H3* G 33 H3* G 33 14.166 3.404 -2.354
348 1H2* G 33 1H2* G 33 13.355 4.569 -0.276
349 2HO* G 33 2HO* G 33 13.578 6.588 -1.788
350 H1* G 33 H1* G 33 10.985 4.897 -1.160
351 H8 G 33 H8 G 33 11.460 1.607 -2.672
352 H1 G 33 H1 G 33 10.656 1.129 3.720
353 1H2 G 33 1H2 G 33 10.872 3.073 4.656
354 2H2 G 33 2H2 G 33 11.300 4.563 3.796
355 1H5* C 34 1H5* C 34 16.454 7.285 -0.826
356 2H5* C 34 2H5* C 34 18.176 6.924 -0.531
357 H4* C 34 H4* C 34 16.926 7.523 1.573
358 H3* C 34 H3* C 34 18.131 4.706 1.340
359 1H2* C 34 1H2* C 34 17.443 4.183 3.573
360 2HO* C 34 2HO* C 34 17.942 6.578 3.865
361 H1* C 34 H1* C 34 14.908 5.373 3.349
362 1H4 C 34 1H4 C 34 13.722 -0.871 1.625
363 2H4 C 34 2H4 C 34 13.900 -0.302 -0.012
364 H5 C 34 H5 C 34 14.451 1.816 -0.646
365 H6 C 34 H6 C 34 15.126 4.057 0.019
366 1H5* C 35 1H5* C 35 22.361 4.187 3.648
367 2H5* C 35 2H5* C 35 20.704 4.288 4.280
368 H4* C 35 H4* C 35 21.533 2.030 4.435
369 H3* C 35 H3* C 35 22.045 2.085 1.419
370 1H2* C 35 1H2* C 35 21.535 -0.177 1.320
371 2HO* C 35 2HO* C 35 22.975 -0.160 3.302
372 H1* C 35 H1* C 35 19.913 -0.092 3.840
373 1H4 C 35 1H4 C 35 15.715 -2.617 -0.059
374 2H4 C 35 2H4 C 35 16.027 -1.641 -1.503
375 H5 C 35 H5 C 35 17.869 0.134 -1.302
376 H6 C 35 H6 C 35 19.543 1.104 0.293
377 1H THR 1 1H THR 1 0.645 11.662 1.416
378 2H THR 1 2H THR 1 -0.025 10.913 2.715
379 HA THR 1 HA THR 1 -2.053 12.119 1.168
380 HB THR 1 HB THR 1 -0.364 11.883 -0.641
381 HG1 THR 1 1HG THR 1 -1.758 11.366 -2.027
382 1HG2 THR 1 2HG2 THR 1 0.781 9.670 -0.214
383 2HG2 THR 1 1HG2 THR 1 -0.796 8.834 -0.545
384 3HG2 THR 1 3HG2 THR 1 -0.005 9.795 -1.821
385 H ARG 2 H ARG 2 -3.896 10.445 0.570
386 HA ARG 2 HA ARG 2 -4.376 8.899 2.809
387 1HB ARG 2 2HB ARG 2 -5.995 9.683 0.797
388 2HB ARG 2 1HB ARG 2 -5.604 8.083 0.119
389 1HG ARG 2 2HG ARG 2 -6.493 7.041 2.368
390 2HG ARG 2 1HG ARG 2 -6.830 8.711 2.856
391 1HD ARG 2 2HD ARG 2 -8.919 8.058 2.202
392 2HD ARG 2 1HD ARG 2 -8.372 8.880 0.689
393 HE ARG 2 HE ARG 2 -8.305 6.840 -0.332
394 1HH1 ARG 2 1HH2 ARG 2 -9.771 5.943 3.039
395 2HH1 ARG 2 2HH2 ARG 2 -10.518 4.601 2.226
396 1HH2 ARG 2 2HH1 ARG 2 -8.611 4.843 -0.427
397 2HH2 ARG 2 1HH1 ARG 2 -10.087 4.254 0.298
398 H GLN 3 H GLN 3 -2.482 8.156 0.087
399 HA GLN 3 HA GLN 3 -2.539 5.314 0.373
400 1HB GLN 3 2HB GLN 3 -2.075 6.905 -1.833
401 2HB GLN 3 1HB GLN 3 -0.404 6.471 -1.411
402 1HG GLN 3 2HG GLN 3 -2.846 4.557 -1.775
403 2HG GLN 3 1HG GLN 3 -1.701 4.955 -3.106
404 1HE2 GLN 3 1HE2 GLN 3 0.768 2.976 -0.813
405 2HE2 GLN 3 2HE2 GLN 3 0.930 4.424 -1.672
406 H ALA 4 H ALA 4 -0.907 7.634 2.100
407 HA ALA 4 HA ALA 4 1.383 6.020 2.756
408 1HB ALA 4 1HB ALA 4 1.063 8.835 3.078
409 2HB ALA 4 3HB ALA 4 0.864 8.183 4.804
410 3HB ALA 4 2HB ALA 4 2.227 7.775 3.838
411 H ARG 5 H ARG 5 -1.623 7.130 4.228
412 HA ARG 5 HA ARG 5 -1.736 5.875 6.669
413 1HB ARG 5 2HB ARG 5 -3.895 6.822 4.646
414 2HB ARG 5 1HB ARG 5 -4.369 6.133 6.188
415 1HG ARG 5 2HG ARG 5 -2.421 8.543 6.104
416 2HG ARG 5 1HG ARG 5 -4.171 8.738 5.954
417 1HD ARG 5 2HD ARG 5 -3.267 9.140 8.336
418 2HD ARG 5 1HD ARG 5 -4.697 8.081 8.142
419 HE ARG 5 HE ARG 5 -1.934 7.124 8.968
420 1HH1 ARG 5 1HH1 ARG 5 -5.435 6.019 8.322
421 2HH1 ARG 5 2HH1 ARG 5 -4.885 4.489 8.944
422 1HH2 ARG 5 1HH2 ARG 5 -1.716 4.960 9.370
423 2HH2 ARG 5 2HH2 ARG 5 -3.209 3.985 9.299
424 H ARG 6 H ARG 6 -2.797 4.649 3.555
425 HA ARG 6 HA ARG 6 -3.772 2.111 4.095
426 1HB ARG 6 2HB ARG 6 -3.547 3.678 1.899
427 2HB ARG 6 1HB ARG 6 -2.063 2.754 1.633
428 1HG ARG 6 2HG ARG 6 -3.414 0.669 1.442
429 2HG ARG 6 1HG ARG 6 -4.873 1.557 2.072
430 1HD ARG 6 2HD ARG 6 -4.884 2.971 0.065
431 2HD ARG 6 1HD ARG 6 -3.601 2.223 -0.716
432 HE ARG 6 HE ARG 6 -5.554 1.120 -1.494
433 1HH1 ARG 6 2HH2 ARG 6 -3.469 -0.902 -1.298
434 2HH1 ARG 6 1HH2 ARG 6 -4.448 -2.144 -0.707
435 1HH2 ARG 6 2HH1 ARG 6 -7.189 -0.556 -0.216
436 2HH2 ARG 6 1HH1 ARG 6 -6.507 -1.581 -1.221
437 H ASN 7 H ASN 7 -0.403 3.254 3.925
438 HA ASN 7 HA ASN 7 0.665 0.585 4.174
439 1HB ASN 7 2HB ASN 7 1.893 3.175 3.125
440 2HB ASN 7 1HB ASN 7 2.921 1.880 3.769
441 1HD2 ASN 7 1HD2 ASN 7 1.257 1.367 0.209
442 2HD2 ASN 7 2HD2 ASN 7 1.190 2.895 1.127
443 H ARG 8 H ARG 8 0.586 3.675 6.114
444 HA ARG 8 HA ARG 8 2.138 2.633 8.131
445 1HB ARG 8 2HB ARG 8 1.336 5.066 7.776
446 2HB ARG 8 1HB ARG 8 -0.303 4.533 8.148
447 1HG ARG 8 2HG ARG 8 0.611 5.741 10.096
448 2HG ARG 8 1HG ARG 8 0.414 4.018 10.531
449 1HD ARG 8 2HD ARG 8 2.469 4.904 11.489
450 2HD ARG 8 1HD ARG 8 2.867 3.654 10.237
451 HE ARG 8 HE ARG 8 3.154 5.746 8.650
452 1HH1 ARG 8 2HH2 ARG 8 4.418 5.445 11.791
453 2HH1 ARG 8 1HH2 ARG 8 5.812 5.533 11.055
454 1HH2 ARG 8 1HH1 ARG 8 4.918 7.259 8.342
455 2HH2 ARG 8 2HH1 ARG 8 5.951 7.520 9.688
456 H ARG 9 H ARG 9 -1.553 2.122 7.628
457 HA ARG 9 HA ARG 9 -1.810 0.488 9.891
458 1HB ARG 9 2HB ARG 9 -3.843 0.647 9.331
459 2HB ARG 9 1HB ARG 9 -3.530 1.209 7.644
460 1HG ARG 9 2HG ARG 9 -5.149 -0.441 7.630
461 2HG ARG 9 1HG ARG 9 -3.729 -1.203 6.861
462 1HD ARG 9 2HD ARG 9 -3.548 -2.817 8.676
463 2HD ARG 9 1HD ARG 9 -4.435 -1.785 9.854
464 HE ARG 9 HE ARG 9 -5.752 -3.324 7.596
465 1HH1 ARG 9 2HH2 ARG 9 -6.679 -0.629 9.869
466 2HH1 ARG 9 1HH2 ARG 9 -8.240 -1.198 9.703
467 1HH2 ARG 9 1HH1 ARG 9 -8.132 -3.233 7.416
468 2HH2 ARG 9 2HH1 ARG 9 -8.913 -2.320 8.660
469 H ARG 10 H ARG 10 -1.102 -0.439 6.445
470 HA ARG 10 HA ARG 10 -0.899 -3.152 6.916
471 1HB ARG 10 2HB ARG 10 0.373 -1.417 4.756
472 2HB ARG 10 1HB ARG 10 0.684 -3.163 4.838
473 1HG ARG 10 2HG ARG 10 -1.791 -3.693 4.694
474 2HG ARG 10 1HG ARG 10 -2.097 -1.936 4.815
475 1HD ARG 10 2HD ARG 10 -0.771 -1.770 2.490
476 2HD ARG 10 1HD ARG 10 -0.894 -3.532 2.533
477 HE ARG 10 HE ARG 10 -3.041 -3.238 1.659
478 1HH1 ARG 10 1HH2 ARG 10 -3.098 -0.276 3.784
479 2HH1 ARG 10 2HH2 ARG 10 -4.740 -0.504 4.204
480 1HH2 ARG 10 2HH1 ARG 10 -4.981 -3.087 1.777
481 2HH2 ARG 10 1HH1 ARG 10 -5.919 -2.309 2.940
482 H ARG 11 H ARG 11 1.610 -0.653 7.609
483 HA ARG 11 HA ARG 11 3.493 -2.592 8.355
484 1HB ARG 11 2HB ARG 11 3.626 0.422 8.657
485 2HB ARG 11 1HB ARG 11 4.964 -0.726 8.968
486 1HG ARG 11 2HG ARG 11 3.562 -0.332 6.237
487 2HG ARG 11 1HG ARG 11 5.176 0.289 6.685
488 1HD ARG 11 2HD ARG 11 6.147 -1.931 6.671
489 2HD ARG 11 1HD ARG 11 4.616 -2.732 6.749
490 HE ARG 11 HE ARG 11 5.036 -3.044 4.626
491 1HH1 ARG 11 2HH1 ARG 11 5.177 0.409 4.276
492 2HH1 ARG 11 1HH1 ARG 11 4.421 0.326 2.745
493 1HH2 ARG 11 1HH2 ARG 11 3.873 -3.045 2.993
494 2HH2 ARG 11 2HH2 ARG 11 3.329 -1.540 2.189
495 H TRP 12 H TRP 12 1.252 -0.655 10.532
496 HA TRP 12 HA TRP 12 2.244 -1.921 12.858
497 1HB TRP 12 2HB TRP 12 -0.382 -0.434 12.445
498 2HB TRP 12 1HB TRP 12 0.096 -1.164 14.015
499 HD1 TRP 12 HD1 TRP 12 1.433 1.596 11.502
500 HE1 TRP 12 HE1 TRP 12 3.391 2.696 12.632
501 HE3 TRP 12 HE3 TRP 12 1.238 -0.615 16.121
502 HZ2 TRP 12 HZ2 TRP 12 4.114 3.418 15.342
503 HZ3 TRP 12 HZ3 TRP 12 2.574 0.382 17.949
504 HH2 TRP 12 HH2 TRP 12 4.006 2.342 17.554
505 H ARG 13 H ARG 13 0.035 -3.179 10.350
506 HA ARG 13 HA ARG 13 -0.691 -5.564 11.749
507 1HB ARG 13 2HB ARG 13 -2.188 -4.686 9.997
508 2HB ARG 13 1HB ARG 13 -0.893 -4.802 8.773
509 1HG ARG 13 2HG ARG 13 -0.892 -7.379 9.101
510 2HG ARG 13 1HG ARG 13 -2.178 -7.129 10.320
511 1HD ARG 13 2HD ARG 13 -3.320 -7.930 8.587
512 2HD ARG 13 1HD ARG 13 -3.656 -6.151 8.484
513 HE ARG 13 HE ARG 13 -1.425 -7.295 6.771
514 1HH1 ARG 13 1HH1 ARG 13 -4.616 -5.692 6.523
515 2HH1 ARG 13 2HH1 ARG 13 -4.820 -6.240 4.866
516 1HH2 ARG 13 2HH2 ARG 13 -1.592 -7.339 4.635
517 2HH2 ARG 13 1HH2 ARG 13 -2.881 -6.887 3.688
518 H GLU 14 H GLU 14 1.613 -4.865 8.941
519 HA GLU 14 HA GLU 14 2.951 -7.172 8.571
520 1HB GLU 14 2HB GLU 14 4.271 -4.405 8.600
521 2HB GLU 14 1HB GLU 14 5.061 -5.901 8.108
522 1HG GLU 14 2HG GLU 14 2.861 -5.999 6.402
523 2HG GLU 14 1HG GLU 14 3.126 -4.236 6.457
524 H ARG 15 H ARG 15 3.686 -4.883 11.191
525 HA ARG 15 HA ARG 15 5.792 -5.903 12.585
526 1HB ARG 15 2HB ARG 15 4.032 -3.882 12.843
527 2HB ARG 15 1HB ARG 15 3.362 -4.879 14.132
528 1HG ARG 15 2HG ARG 15 5.222 -4.440 15.523
529 2HG ARG 15 1HG ARG 15 6.401 -4.350 14.188
530 1HD ARG 15 2HD ARG 15 4.346 -2.113 14.721
531 2HD ARG 15 1HD ARG 15 6.065 -2.149 15.345
532 HE ARG 15 HE ARG 15 6.646 -2.484 12.814
533 1HH1 ARG 15 2HH1 ARG 15 4.558 0.162 14.083
534 2HH1 ARG 15 1HH1 ARG 15 4.518 0.886 12.519
535 1HH2 ARG 15 2HH2 ARG 15 6.522 -1.278 10.987
536 2HH2 ARG 15 1HH2 ARG 15 5.970 0.267 11.050
537 H GLN 16 H GLN 16 2.352 -7.199 12.777
538 HA GLN 16 HA GLN 16 2.971 -9.042 14.830
539 1HB GLN 16 2HB GLN 16 0.440 -9.036 13.091
540 2HB GLN 16 1HB GLN 16 0.689 -9.763 14.706
541 1HG GLN 16 2HG GLN 16 0.216 -6.823 13.979
542 2HG GLN 16 1HG GLN 16 -0.758 -7.883 15.041
543 1HE2 GLN 16 2HE2 GLN 16 1.922 -5.473 16.710
544 2HE2 GLN 16 1HE2 GLN 16 1.171 -5.256 15.142
545 H ARG 17 H ARG 17 3.434 -9.199 11.349
546 HA ARG 17 HA ARG 17 2.826 -11.715 10.496
547 1HB ARG 17 2HB ARG 17 5.349 -10.112 9.951
548 2HB ARG 17 1HB ARG 17 5.081 -11.732 9.231
549 1HG ARG 17 2HG ARG 17 3.062 -10.979 8.072
550 2HG ARG 17 1HG ARG 17 3.256 -9.308 8.672
551 1HD ARG 17 2HD ARG 17 5.396 -10.792 6.976
552 2HD ARG 17 1HD ARG 17 4.038 -9.867 6.249
553 HE ARG 17 HE ARG 17 5.213 -7.865 6.700
554 1HH1 ARG 17 1HH2 ARG 17 7.216 -10.367 8.455
555 2HH1 ARG 17 2HH2 ARG 17 8.333 -9.033 8.730
556 1HH2 ARG 17 1HH1 ARG 17 6.759 -6.707 6.982
557 2HH2 ARG 17 2HH1 ARG 17 8.128 -7.131 8.035
No H/Q in entry = 557
Start of MODEL 7
1 H4* G 1 H4* G 1 9.282 -10.622 2.888
2 H3* G 1 H3* G 1 6.272 -9.917 2.612
3 1H2* G 1 1H2* G 1 6.475 -8.314 1.854
4 2HO* G 1 2HO* G 1 6.535 -7.415 3.961
5 H1* G 1 H1* G 1 9.443 -8.082 1.979
6 H8 G 1 H8 G 1 6.987 -6.184 0.478
7 H1 G 1 H1 G 1 12.350 -6.259 -3.067
8 1H2 G 1 1H2 G 1 13.730 -7.825 -2.392
9 2H2 G 1 2H2 G 1 13.181 -9.180 -1.399
10 1H5* G 2 1H5* G 2 8.908 -9.135 8.229
11 2H5* G 2 2H5* G 2 7.379 -8.217 8.428
12 H4* G 2 H4* G 2 9.464 -6.931 9.141
13 H3* G 2 H3* G 2 8.006 -5.794 6.694
14 1H2* G 2 1H2* G 2 9.515 -4.060 6.532
15 2HO* G 2 2HO* G 2 10.033 -3.035 8.332
16 H1* G 2 H1* G 2 11.640 -5.326 7.107
17 H8 G 2 H8 G 2 9.158 -7.225 4.579
18 H1 G 2 H1 G 2 13.398 -3.072 2.023
19 1H2 G 2 1H2 G 2 14.563 -2.092 3.726
20 2H2 G 2 2H2 G 2 14.080 -2.346 5.427
21 1H5* C 3 1H5* C 3 8.457 -2.599 10.093
22 2H5* C 3 2H5* C 3 7.062 -1.475 10.283
23 H4* C 3 H4* C 3 9.137 -0.200 9.968
24 H3* C 3 H3* C 3 7.266 -0.149 7.520
25 1H2* C 3 1H2* C 3 8.791 1.527 6.509
26 2HO* C 3 2HO* C 3 9.779 1.608 9.137
27 H1* C 3 H1* C 3 10.844 0.198 6.909
28 1H4 C 3 1H4 C 3 9.280 -2.936 1.398
29 2H4 C 3 2H4 C 3 8.433 -4.089 2.386
30 H5 C 3 H5 C 3 7.855 -3.735 4.648
31 H6 C 3 H6 C 3 8.318 -2.485 6.655
32 1H5* U 4 1H5* U 4 8.295 3.608 8.706
33 2H5* U 4 2H5* U 4 7.356 5.100 8.922
34 H4* U 4 H4* U 4 8.868 5.428 6.981
35 H3* U 4 H3* U 4 5.842 5.072 6.471
36 1H2* U 4 1H2* U 4 5.834 4.713 4.452
37 2HO* U 4 2HO* U 4 6.985 6.932 4.093
38 H1* U 4 H1* U 4 8.473 4.219 3.917
39 H3 U 4 H3 U 4 7.223 0.623 1.516
40 H5 U 4 H5 U 4 6.176 -0.533 5.465
41 H6 U 4 H6 U 4 6.829 1.814 6.123
42 1H5* G 5 1H5* G 5 5.159 10.261 4.770
43 2H5* G 5 2H5* G 5 4.301 8.752 4.482
44 H4* G 5 H4* G 5 6.325 10.200 2.624
45 H3* G 5 H3* G 5 3.522 10.311 2.970
46 1H2* G 5 1H2* G 5 3.302 7.916 2.830
47 2HO* G 5 2HO* G 5 2.777 9.566 0.756
48 H1* G 5 H1* G 5 4.686 8.014 0.209
49 H8 G 5 H8 G 5 4.487 6.147 3.511
50 H1 G 5 H1 G 5 5.080 2.046 -1.327
51 1H2 G 5 1H2 G 5 5.349 2.900 -3.146
52 2H2 G 5 2H2 G 5 5.621 4.606 -3.444
53 1H5* G 6 1H5* G 6 5.519 11.439 -1.525
54 2H5* G 6 2H5* G 6 4.657 12.759 -2.372
55 H4* G 6 H4* G 6 4.899 10.814 -3.818
56 H3* G 6 H3* G 6 2.025 11.085 -2.841
57 1H2* G 6 1H2* G 6 1.383 9.603 -4.128
58 2HO* G 6 2HO* G 6 1.930 9.272 -6.124
59 H1* G 6 H1* G 6 4.098 8.221 -4.205
60 H8 G 6 H8 G 6 2.758 7.813 -0.839
61 H1 G 6 H1 G 6 2.195 2.554 -4.397
62 1H2 G 6 1H2 G 6 2.926 3.029 -6.563
63 2H2 G 6 2H2 G 6 2.868 4.714 -7.058
64 1H5* A 7 1H5* A 7 -1.652 11.485 -6.100
65 2H5* A 7 2H5* A 7 -0.903 10.384 -4.875
66 H4* A 7 H4* A 7 -0.157 10.297 -7.876
67 H3* A 7 H3* A 7 -2.316 8.659 -6.427
68 1H2* A 7 1H2* A 7 -1.748 6.876 -8.080
69 2HO* A 7 2HO* A 7 -1.644 8.695 -9.619
70 H1* A 7 H1* A 7 0.924 7.229 -7.801
71 H8 A 7 H8 A 7 -0.172 7.554 -4.187
72 1H6 A 7 1H6 A 7 -0.831 3.269 -2.822
73 2H6 A 7 2H6 A 7 -1.097 1.716 -3.590
74 H2 A 7 H2 A 7 -0.596 2.357 -8.045
75 1H5* C 8 1H5* C 8 -2.993 8.391 -10.581
76 2H5* C 8 2H5* C 8 -4.682 8.359 -11.156
77 H4* C 8 H4* C 8 -3.419 6.144 -11.538
78 H3* C 8 H3* C 8 -5.823 6.428 -9.733
79 1H2* C 8 1H2* C 8 -5.870 3.963 -9.339
80 2HO* C 8 2HO* C 8 -5.532 3.535 -11.529
81 H1* C 8 H1* C 8 -3.347 3.665 -9.241
82 1H4 C 8 1H4 C 8 -5.081 3.009 -3.433
83 2H4 C 8 2H4 C 8 -5.020 4.654 -2.848
84 H5 C 8 H5 C 8 -4.739 6.485 -4.775
85 H6 C 8 H6 C 8 -4.246 6.723 -7.178
86 1H5* U 9 1H5* U 9 -6.844 1.958 -13.224
87 2H5* U 9 2H5* U 9 -8.327 2.865 -13.657
88 H4* U 9 H4* U 9 -8.506 0.961 -11.728
89 H3* U 9 H3* U 9 -9.590 3.769 -11.281
90 1H2* U 9 1H2* U 9 -10.191 3.180 -9.315
91 2HO* U 9 2HO* U 9 -11.385 1.291 -9.959
92 H1* U 9 H1* U 9 -8.257 0.997 -8.980
93 H3 U 9 H3 U 9 -8.229 2.954 -4.976
94 H5 U 9 H5 U 9 -7.642 6.267 -7.615
95 H6 U 9 H6 U 9 -7.717 4.582 -9.409
96 1H5* C 10 1H5* C 10 -14.652 2.652 -10.457
97 2H5* C 10 2H5* C 10 -13.263 3.249 -9.498
98 H4* C 10 H4* C 10 -14.602 0.447 -9.190
99 H3* C 10 H3* C 10 -14.395 3.003 -7.532
100 1H2* C 10 1H2* C 10 -14.472 1.790 -5.486
101 2HO* C 10 2HO* C 10 -15.943 0.488 -5.351
102 H1* C 10 H1* C 10 -12.818 0.003 -6.202
103 1H4 C 10 1H4 C 10 -10.383 4.801 -2.753
104 2H4 C 10 2H4 C 10 -9.942 5.790 -4.127
105 H5 C 10 H5 C 10 -10.589 5.037 -6.413
106 H6 C 10 H6 C 10 -11.733 3.172 -7.731
107 1H5* G 11 1H5* G 11 -18.273 0.987 -6.389
108 2H5* G 11 2H5* G 11 -19.596 2.067 -5.846
109 H4* G 11 H4* G 11 -18.788 0.269 -4.124
110 H3* G 11 H3* G 11 -18.725 3.233 -3.534
111 1H2* G 11 1H2* G 11 -17.865 2.699 -1.157
112 2HO* G 11 2HO* G 11 -19.392 0.832 -1.548
113 H1* G 11 H1* G 11 -16.166 1.061 -1.894
114 H8 G 11 H8 G 11 -15.468 3.220 -4.951
115 H1 G 11 H1 G 11 -13.193 6.174 0.110
116 1H2 G 11 1H2 G 11 -13.810 5.301 1.953
117 2H2 G 11 2H2 G 11 -14.976 3.991 2.124
118 1H5* U 12 1H5* U 12 -21.837 1.748 -0.262
119 2H5* U 12 2H5* U 12 -23.158 2.920 0.018
120 H4* U 12 H4* U 12 -21.624 2.846 1.968
121 H3* U 12 H3* U 12 -21.581 5.426 0.295
122 1H2* U 12 1H2* U 12 -20.047 6.396 1.928
123 2HO* U 12 2HO* U 12 -21.194 5.715 3.659
124 H1* U 12 H1* U 12 -18.527 4.431 2.179
125 H3 U 12 H3 U 12 -16.281 7.557 -0.343
126 H5 U 12 H5 U 12 -18.119 5.147 -3.250
127 H6 U 12 H6 U 12 -19.346 4.032 -1.305
128 1H5* A 13 1H5* A 13 -21.725 6.761 5.367
129 2H5* A 13 2H5* A 13 -22.906 8.097 5.227
130 H4* A 13 H4* A 13 -20.419 8.696 5.930
131 H3* A 13 H3* A 13 -21.666 9.986 3.505
132 1H2* A 13 1H2* A 13 -19.767 11.434 3.272
133 2HO* A 13 2HO* A 13 -18.792 12.132 4.701
134 H1* A 13 H1* A 13 -18.013 9.563 3.548
135 H8 A 13 H8 A 13 -20.908 8.056 1.556
136 1H6 A 13 1H6 A 13 -18.431 10.512 -3.494
137 2H6 A 13 2H6 A 13 -19.707 9.543 -2.774
138 H2 A 13 H2 A 13 -16.174 12.215 0.087
139 1H5* C 14 1H5* C 14 -20.468 13.291 5.908
140 2H5* C 14 2H5* C 14 -21.489 14.765 5.813
141 H4* C 14 H4* C 14 -19.253 15.270 4.821
142 H3* C 14 H3* C 14 -21.337 14.982 2.829
143 1H2* C 14 1H2* C 14 -19.529 16.204 1.334
144 2HO* C 14 2HO* C 14 -18.489 17.138 3.291
145 H1* C 14 H1* C 14 -18.048 14.256 1.749
146 1H4 C 14 1H4 C 14 -21.142 12.190 -3.187
147 2H4 C 14 2H4 C 14 -22.543 11.463 -2.425
148 H5 C 14 H5 C 14 -22.253 11.229 0.349
149 H6 C 14 H6 C 14 -21.065 12.337 2.236
150 1H5* U 15 1H5* U 15 -19.469 20.240 2.249
151 2H5* U 15 2H5* U 15 -21.070 20.966 1.951
152 H4* U 15 H4* U 15 -19.534 20.472 -0.101
153 H3* U 15 H3* U 15 -22.268 19.136 -0.013
154 1H2* U 15 1H2* U 15 -22.039 18.591 -2.204
155 2HO* U 15 2HO* U 15 -20.100 19.122 -3.385
156 H1* U 15 H1* U 15 -19.800 17.579 -1.981
157 H3 U 15 H3 U 15 -23.147 14.407 -2.459
158 H5 U 15 H5 U 15 -22.874 15.236 1.704
159 H6 U 15 H6 U 15 -21.321 17.058 1.085
160 1H5* U 16 1H5* U 16 -25.015 22.036 -3.995
161 2H5* U 16 2H5* U 16 -24.643 20.376 -4.521
162 H4* U 16 H4* U 16 -24.294 22.132 -6.299
163 H3* U 16 H3* U 16 -22.463 20.057 -6.273
164 1H2* U 16 1H2* U 16 -21.271 21.029 -4.391
165 2HO* U 16 2HO* U 16 -19.934 20.321 -6.282
166 H1* U 16 H1* U 16 -21.100 23.378 -6.229
167 H3 U 16 H3 U 16 -19.416 26.681 -3.291
168 H5 U 16 H5 U 16 -20.119 23.222 -0.885
169 H6 U 16 H6 U 16 -21.114 22.205 -2.849
170 1H5* C 17 1H5* C 17 -21.660 19.230 -8.851
171 2H5* C 17 2H5* C 17 -22.460 19.037 -10.438
172 H4* C 17 H4* C 17 -22.710 17.069 -9.402
173 H3* C 17 H3* C 17 -25.291 18.696 -9.253
174 1H2* C 17 1H2* C 17 -25.762 17.910 -7.085
175 2HO* C 17 2HO* C 17 -25.823 15.465 -8.599
176 H1* C 17 H1* C 17 -23.776 15.713 -7.342
177 1H4 C 17 1H4 C 17 -24.702 18.188 -1.278
178 2H4 C 17 2H4 C 17 -25.403 16.621 -0.899
179 H5 C 17 H5 C 17 -23.676 18.915 -3.310
180 H6 C 17 H6 C 17 -23.449 18.605 -5.432
181 1H5* G 18 1H5* G 18 -21.665 13.773 -11.372
182 2H5* G 18 2H5* G 18 -21.785 14.624 -9.815
183 H4* G 18 H4* G 18 -20.092 15.411 -12.341
184 H3* G 18 H3* G 18 -19.322 15.406 -9.777
185 1H2* G 18 1H2* G 18 -17.484 17.044 -10.597
186 2HO* G 18 2HO* G 18 -18.297 16.189 -12.929
187 H1* G 18 H1* G 18 -19.492 18.661 -11.216
188 H8 G 18 H8 G 18 -18.345 19.643 -9.195
189 H1 G 18 H1 G 18 -21.181 15.778 -4.887
190 1H2 G 18 1H2 G 18 -22.181 14.001 -7.622
191 2H2 G 18 2H2 G 18 -22.167 14.183 -5.866
192 1H5* G 19 1H5* G 19 -15.496 15.582 -11.655
193 2H5* G 19 2H5* G 19 -14.067 14.632 -11.137
194 H4* G 19 H4* G 19 -14.289 16.910 -9.968
195 H3* G 19 H3* G 19 -14.422 14.338 -8.422
196 1H2* G 19 1H2* G 19 -14.780 15.514 -6.324
197 2HO* G 19 2HO* G 19 -13.701 17.043 -5.980
198 H1* G 19 H1* G 19 -16.425 17.289 -7.174
199 H8 G 19 H8 G 19 -17.452 14.163 -8.864
200 H1 G 19 H1 G 19 -19.362 14.362 -2.812
201 1H2 G 19 1H2 G 19 -18.353 15.935 -1.751
202 2H2 G 19 2H2 G 19 -17.448 17.233 -2.558
203 1H5* U 20 1H5* U 20 -11.444 16.865 -6.399
204 2H5* U 20 2H5* U 20 -10.009 16.108 -5.623
205 H4* U 20 H4* U 20 -11.551 17.041 -3.913
206 H3* U 20 H3* U 20 -11.546 13.960 -4.017
207 1H2* U 20 1H2* U 20 -13.019 13.923 -2.200
208 2HO* U 20 2HO* U 20 -11.920 15.530 -0.976
209 H1* U 20 H1* U 20 -14.570 15.981 -2.919
210 H3 U 20 H3 U 20 -16.963 12.021 -2.977
211 H5 U 20 H5 U 20 -14.902 11.960 -6.657
212 H6 U 20 H6 U 20 -13.723 14.031 -5.847
213 1H5* A 21 1H5* A 21 -11.012 16.641 0.477
214 2H5* A 21 2H5* A 21 -9.517 15.886 1.138
215 H4* A 21 H4* A 21 -11.607 15.753 2.687
216 H3* A 21 H3* A 21 -10.436 13.184 1.538
217 1H2* A 21 1H2* A 21 -11.859 12.007 3.295
218 2HO* A 21 2HO* A 21 -11.663 13.445 4.904
219 H1* A 21 H1* A 21 -13.944 13.187 2.541
220 H8 A 21 H8 A 21 -12.158 13.135 -0.787
221 1H6 A 21 1H6 A 21 -14.923 7.813 -2.100
222 2H6 A 21 2H6 A 21 -13.871 9.132 -2.551
223 H2 A 21 H2 A 21 -15.719 8.715 2.327
224 1H5* C 22 1H5* C 22 -10.867 12.299 5.827
225 2H5* C 22 2H5* C 22 -9.528 11.353 6.490
226 H4* C 22 H4* C 22 -11.891 10.225 6.523
227 H3* C 22 H3* C 22 -9.480 8.942 5.167
228 1H2* C 22 1H2* C 22 -10.560 7.329 4.120
229 2HO* C 22 2HO* C 22 -11.559 6.990 6.377
230 H1* C 22 H1* C 22 -13.235 8.552 4.136
231 1H4 C 22 1H4 C 22 -11.614 7.817 -1.970
232 2H4 C 22 2H4 C 22 -10.707 9.356 -1.978
233 H5 C 22 H5 C 22 -10.525 10.640 -0.007
234 H6 C 22 H6 C 22 -10.979 10.706 2.429
235 1H5* U 23 1H5* U 23 -6.849 6.564 5.966
236 2H5* U 23 2H5* U 23 -8.517 6.964 5.484
237 H4* U 23 H4* U 23 -9.249 4.933 7.074
238 H3* U 23 H3* U 23 -6.353 4.694 7.287
239 1H2* U 23 1H2* U 23 -5.802 3.954 5.272
240 2HO* U 23 2HO* U 23 -6.712 2.064 6.730
241 H1* U 23 H1* U 23 -8.526 2.556 4.693
242 H3 U 23 H3 U 23 -8.086 2.904 0.168
243 H5 U 23 H5 U 23 -5.466 5.985 1.598
244 H6 U 23 H6 U 23 -6.178 5.344 3.862
245 1H5* G 24 1H5* G 24 -9.430 5.457 9.404
246 2H5* G 24 2H5* G 24 -9.077 5.373 11.148
247 H4* G 24 H4* G 24 -11.328 4.150 11.587
248 H3* G 24 H3* G 24 -11.354 3.916 8.678
249 1H2* G 24 1H2* G 24 -12.968 4.959 8.426
250 2HO* G 24 2HO* G 24 -13.990 2.958 9.710
251 H1* G 24 H1* G 24 -13.765 5.792 11.326
252 H8 G 24 H8 G 24 -11.559 7.825 9.509
253 H1 G 24 H1 G 24 -17.193 9.013 6.714
254 1H2 G 24 1H2 G 24 -18.529 6.497 8.651
255 2H2 G 24 2H2 G 24 -18.685 7.517 7.196
256 1H5* G 25 1H5* G 25 -9.589 0.702 7.056
257 2H5* G 25 2H5* G 25 -10.066 2.229 6.269
258 H4* G 25 H4* G 25 -12.067 -0.095 6.426
259 H3* G 25 H3* G 25 -9.998 0.389 4.124
260 1H2* G 25 1H2* G 25 -11.321 -0.304 2.767
261 2HO* G 25 2HO* G 25 -12.436 -1.804 4.788
262 H1* G 25 H1* G 25 -13.650 0.917 3.644
263 H8 G 25 H8 G 25 -11.140 3.471 4.227
264 H1 G 25 H1 G 25 -12.282 2.659 -2.106
265 1H2 G 25 1H2 G 25 -13.328 0.888 -2.405
266 2H2 G 25 2H2 G 25 -13.912 -0.135 -1.059
267 1H5* A 26 1H5* A 26 -12.138 -3.004 2.571
268 2H5* A 26 2H5* A 26 -10.947 -4.336 2.519
269 H4* A 26 H4* A 26 -12.076 -4.049 0.380
270 H3* A 26 H3* A 26 -9.217 -2.875 0.359
271 1H2* A 26 1H2* A 26 -9.446 -2.720 -2.033
272 2HO* A 26 2HO* A 26 -10.454 -4.298 -2.876
273 H1* A 26 H1* A 26 -11.744 -1.708 -1.952
274 H8 A 26 H8 A 26 -10.243 0.078 1.094
275 1H6 A 26 1H6 A 26 -7.487 3.763 -3.313
276 2H6 A 26 2H6 A 26 -7.627 3.643 -1.606
277 H2 A 26 H2 A 26 -9.495 0.123 -5.199
278 1H5* G 27 1H5* G 27 -9.956 -6.228 -2.101
279 2H5* G 27 2H5* G 27 -8.840 -7.583 -2.421
280 H4* G 27 H4* G 27 -9.397 -6.575 -4.624
281 H3* G 27 H3* G 27 -6.599 -6.001 -3.636
282 1H2* G 27 1H2* G 27 -6.042 -4.996 -5.640
283 2HO* G 27 2HO* G 27 -7.156 -6.644 -6.838
284 H1* G 27 H1* G 27 -8.382 -3.621 -5.954
285 H8 G 27 H8 G 27 -7.710 -3.486 -2.263
286 H1 G 27 H1 G 27 -4.831 1.166 -5.640
287 1H2 G 27 1H2 G 27 -5.061 0.826 -7.728
288 2H2 G 27 2H2 G 27 -5.802 -0.601 -8.456
289 1H5* A 28 1H5* A 28 -4.500 -6.522 -5.059
290 2H5* A 28 2H5* A 28 -3.125 -7.661 -5.117
291 H4* A 28 H4* A 28 -2.969 -7.942 -2.846
292 H3* A 28 H3* A 28 -5.599 -7.161 -2.256
293 1H2* A 28 1H2* A 28 -5.347 -4.742 -2.585
294 2HO* A 28 2HO* A 28 -5.714 -4.479 -0.469
295 H1* A 28 H1* A 28 -2.482 -4.649 -1.600
296 H8 A 28 H8 A 28 -4.221 -4.526 -5.025
297 1H6 A 28 1H6 A 28 -1.964 1.091 -5.739
298 2H6 A 28 2H6 A 28 -2.939 -0.132 -6.531
299 H2 A 28 H2 A 28 -1.291 0.009 -1.499
300 1H5* A 29 1H5* A 29 -0.051 -7.673 -1.754
301 2H5* A 29 2H5* A 29 -0.387 -8.843 -0.447
302 H4* A 29 H4* A 29 0.841 -6.057 -0.191
303 H3* A 29 H3* A 29 1.725 -8.971 0.190
304 1H2* A 29 1H2* A 29 2.507 -8.874 2.134
305 2HO* A 29 2HO* A 29 4.209 -7.605 1.596
306 H1* A 29 H1* A 29 1.298 -6.440 3.175
307 H8 A 29 H8 A 29 -0.966 -9.121 2.751
308 1H6 A 29 1H6 A 29 1.108 -11.117 8.314
309 2H6 A 29 2H6 A 29 -0.172 -11.322 7.098
310 H2 A 29 H2 A 29 3.853 -7.883 6.684
311 1H5* A 30 1H5* A 30 2.237 -7.791 -2.980
312 2H5* A 30 2H5* A 30 3.627 -7.666 -4.085
313 H4* A 30 H4* A 30 1.475 -7.357 -5.243
314 H3* A 30 H3* A 30 3.602 -5.306 -5.177
315 1H2* A 30 1H2* A 30 2.477 -3.517 -5.467
316 2HO* A 30 2HO* A 30 2.345 -4.306 -7.560
317 H1* A 30 H1* A 30 -0.397 -4.553 -5.514
318 H8 A 30 H8 A 30 0.574 -4.575 -2.193
319 1H6 A 30 1H6 A 30 1.760 1.306 -1.530
320 2H6 A 30 2H6 A 30 1.518 -0.216 -0.603
321 H2 A 30 H2 A 30 1.226 0.767 -5.802
322 1H5* C 31 1H5* C 31 5.874 -3.582 -9.119
323 2H5* C 31 2H5* C 31 6.169 -3.991 -7.402
324 H4* C 31 H4* C 31 3.634 -2.395 -8.184
325 H3* C 31 H3* C 31 6.390 -1.461 -7.416
326 1H2* C 31 1H2* C 31 5.589 0.399 -6.241
327 2HO* C 31 2HO* C 31 4.180 1.270 -7.690
328 H1* C 31 H1* C 31 3.168 -1.105 -5.821
329 1H4 C 31 1H4 C 31 4.402 0.291 0.278
330 2H4 C 31 2H4 C 31 4.177 -1.410 0.442
331 H5 C 31 H5 C 31 4.137 -2.881 -1.449
332 H6 C 31 H6 C 31 4.200 -2.974 -3.984
333 1H5* A 32 1H5* A 32 7.483 3.286 -8.862
334 2H5* A 32 2H5* A 32 8.949 2.544 -9.554
335 H4* A 32 H4* A 32 9.289 3.457 -7.337
336 H3* A 32 H3* A 32 9.460 0.381 -7.184
337 1H2* A 32 1H2* A 32 10.450 0.768 -5.167
338 2HO* A 32 2HO* A 32 11.954 2.277 -5.818
339 H1* A 32 H1* A 32 8.902 3.200 -4.634
340 H8 A 32 H8 A 32 7.317 -0.202 -5.249
341 1H6 A 32 1H6 A 32 7.142 -1.242 0.827
342 2H6 A 32 2H6 A 32 6.824 -1.717 -0.831
343 H2 A 32 H2 A 32 9.595 2.668 0.024
344 1H5* G 33 1H5* G 33 13.935 3.094 -6.631
345 2H5* G 33 2H5* G 33 15.128 1.777 -6.703
346 H4* G 33 H4* G 33 15.230 3.308 -4.694
347 H3* G 33 H3* G 33 14.929 0.309 -4.099
348 1H2* G 33 1H2* G 33 15.168 0.944 -1.653
349 2HO* G 33 2HO* G 33 16.720 2.515 -2.635
350 H1* G 33 H1* G 33 13.553 2.819 -1.670
351 H8 G 33 H8 G 33 12.115 0.494 -4.231
352 H1 G 33 H1 G 33 10.931 -1.132 1.876
353 1H2 G 33 1H2 G 33 12.062 0.225 3.207
354 2H2 G 33 2H2 G 33 13.570 0.915 2.567
355 1H5* C 34 1H5* C 34 20.293 0.314 -2.440
356 2H5* C 34 2H5* C 34 19.121 1.649 -2.387
357 H4* C 34 H4* C 34 19.734 0.988 -0.120
358 H3* C 34 H3* C 34 18.844 -1.842 -0.909
359 1H2* C 34 1H2* C 34 18.158 -2.243 1.366
360 2HO* C 34 2HO* C 34 20.034 -0.711 1.817
361 H1* C 34 H1* C 34 16.840 0.215 1.602
362 1H4 C 34 1H4 C 34 12.292 -3.779 -0.718
363 2H4 C 34 2H4 C 34 12.673 -3.362 -2.371
364 H5 C 34 H5 C 34 14.493 -1.876 -2.841
365 H6 C 34 H6 C 34 16.367 -0.540 -1.922
366 1H5* C 35 1H5* C 35 19.892 -4.340 -0.085
367 2H5* C 35 2H5* C 35 21.323 -5.187 -0.731
368 H4* C 35 H4* C 35 19.597 -6.387 -1.528
369 H3* C 35 H3* C 35 20.308 -4.513 -3.831
370 1H2* C 35 1H2* C 35 18.625 -5.306 -5.126
371 2HO* C 35 2HO* C 35 19.544 -7.508 -4.331
372 H1* C 35 H1* C 35 17.231 -6.516 -2.811
373 1H4 C 35 1H4 C 35 11.926 -4.005 -4.717
374 2H4 C 35 2H4 C 35 12.613 -2.990 -5.974
375 H5 C 35 H5 C 35 15.109 -2.543 -5.878
376 H6 C 35 H6 C 35 17.263 -3.428 -4.929
377 1H THR 1 1H THR 1 -3.077 13.203 -1.251
378 2H THR 1 2H THR 1 -1.731 13.602 -0.307
379 HA THR 1 HA THR 1 -1.546 11.533 -1.470
380 HB THR 1 HB THR 1 -0.681 11.465 1.399
381 HG1 THR 1 1HG THR 1 0.954 12.936 0.695
382 1HG2 THR 1 3HG2 THR 1 0.092 9.742 -0.333
383 2HG2 THR 1 2HG2 THR 1 0.632 11.137 -1.384
384 3HG2 THR 1 1HG2 THR 1 1.442 10.828 0.206
385 H ARG 2 H ARG 2 -3.158 11.118 1.790
386 HA ARG 2 HA ARG 2 -4.179 9.734 2.788
387 1HB ARG 2 2HB ARG 2 -5.722 9.953 0.495
388 2HB ARG 2 1HB ARG 2 -5.533 8.174 0.605
389 1HG ARG 2 2HG ARG 2 -6.333 8.404 3.068
390 2HG ARG 2 1HG ARG 2 -6.553 10.141 2.712
391 1HD ARG 2 2HD ARG 2 -8.552 9.215 2.766
392 2HD ARG 2 1HD ARG 2 -8.443 9.521 0.994
393 HE ARG 2 HE ARG 2 -8.232 6.886 2.511
394 1HH1 ARG 2 2HH2 ARG 2 -8.252 7.864 -0.922
395 2HH1 ARG 2 1HH2 ARG 2 -9.113 6.366 -1.242
396 1HH2 ARG 2 1HH1 ARG 2 -9.841 5.227 1.667
397 2HH2 ARG 2 2HH1 ARG 2 -10.038 5.386 0.113
398 H GLN 3 H GLN 3 -2.791 7.988 0.105
399 HA GLN 3 HA GLN 3 -2.735 5.436 1.037
400 1HB GLN 3 2HB GLN 3 -2.106 6.250 -1.346
401 2HB GLN 3 1HB GLN 3 -0.464 6.522 -0.689
402 1HG GLN 3 2HG GLN 3 -0.484 4.398 -1.761
403 2HG GLN 3 1HG GLN 3 -0.389 4.077 0.001
404 1HE2 GLN 3 2HE2 GLN 3 -2.866 1.582 -0.826
405 2HE2 GLN 3 1HE2 GLN 3 -1.181 1.917 -0.376
406 H ALA 4 H ALA 4 -0.500 7.984 1.967
407 HA ALA 4 HA ALA 4 1.613 6.646 3.101
408 1HB ALA 4 3HB ALA 4 1.255 9.171 2.967
409 2HB ALA 4 2HB ALA 4 0.263 9.066 4.438
410 3HB ALA 4 1HB ALA 4 2.005 8.542 4.467
411 H ARG 5 H ARG 5 -1.661 7.472 4.520
412 HA ARG 5 HA ARG 5 -1.408 6.284 7.067
413 1HB ARG 5 2HB ARG 5 -4.048 7.213 5.818
414 2HB ARG 5 1HB ARG 5 -3.703 6.855 7.530
415 1HG ARG 5 2HG ARG 5 -1.976 8.773 7.483
416 2HG ARG 5 1HG ARG 5 -2.674 9.207 5.879
417 1HD ARG 5 2HD ARG 5 -4.112 9.221 8.612
418 2HD ARG 5 1HD ARG 5 -3.520 10.663 7.730
419 HE ARG 5 HE ARG 5 -6.014 9.235 7.280
420 1HH1 ARG 5 2HH2 ARG 5 -3.899 11.428 5.239
421 2HH1 ARG 5 1HH2 ARG 5 -5.420 12.271 4.875
422 1HH2 ARG 5 2HH1 ARG 5 -7.450 10.335 6.510
423 2HH2 ARG 5 1HH1 ARG 5 -7.185 11.698 5.405
424 H ARG 6 H ARG 6 -2.299 5.181 3.890
425 HA ARG 6 HA ARG 6 -3.578 2.719 4.630
426 1HB ARG 6 2HB ARG 6 -3.821 4.055 2.242
427 2HB ARG 6 1HB ARG 6 -2.428 3.004 1.848
428 1HG ARG 6 2HG ARG 6 -3.895 1.020 2.691
429 2HG ARG 6 1HG ARG 6 -5.216 2.226 2.844
430 1HD ARG 6 2HD ARG 6 -5.983 1.932 0.912
431 2HD ARG 6 1HD ARG 6 -4.492 2.283 -0.005
432 HE ARG 6 HE ARG 6 -4.414 -0.046 -0.382
433 1HH1 ARG 6 2HH1 ARG 6 -7.396 0.411 1.560
434 2HH1 ARG 6 1HH1 ARG 6 -7.134 -1.086 2.300
435 1HH2 ARG 6 1HH2 ARG 6 -4.752 -2.092 -0.230
436 2HH2 ARG 6 2HH2 ARG 6 -6.205 -2.654 0.338
437 H ASN 7 H ASN 7 -0.341 3.433 3.043
438 HA ASN 7 HA ASN 7 0.752 1.030 3.451
439 1HB ASN 7 2HB ASN 7 2.017 3.714 2.982
440 2HB ASN 7 1HB ASN 7 3.133 2.405 3.289
441 1HD2 ASN 7 1HD2 ASN 7 1.733 2.861 -0.299
442 2HD2 ASN 7 2HD2 ASN 7 1.669 3.908 1.061
443 H ARG 8 H ARG 8 1.127 3.456 6.189
444 HA ARG 8 HA ARG 8 2.463 1.780 7.937
445 1HB ARG 8 2HB ARG 8 1.946 4.121 8.276
446 2HB ARG 8 1HB ARG 8 0.236 3.809 8.624
447 1HG ARG 8 2HG ARG 8 0.646 2.764 10.737
448 2HG ARG 8 1HG ARG 8 2.265 2.205 10.289
449 1HD ARG 8 2HD ARG 8 1.565 5.029 11.226
450 2HD ARG 8 1HD ARG 8 2.527 3.721 12.058
451 HE ARG 8 HE ARG 8 4.084 3.813 10.136
452 1HH1 ARG 8 1HH1 ARG 8 1.791 6.541 9.840
453 2HH1 ARG 8 2HH1 ARG 8 2.699 7.056 8.420
454 1HH2 ARG 8 1HH2 ARG 8 5.137 4.864 8.501
455 2HH2 ARG 8 2HH2 ARG 8 4.462 6.307 7.833
456 H ARG 9 H ARG 9 -1.048 2.147 7.439
457 HA ARG 9 HA ARG 9 -1.983 0.025 9.059
458 1HB ARG 9 2HB ARG 9 -3.199 1.844 6.930
459 2HB ARG 9 1HB ARG 9 -4.173 0.556 7.648
460 1HG ARG 9 2HG ARG 9 -4.556 2.766 8.545
461 2HG ARG 9 1HG ARG 9 -4.247 1.479 9.773
462 1HD ARG 9 2HD ARG 9 -2.095 2.483 10.375
463 2HD ARG 9 1HD ARG 9 -2.176 3.724 9.044
464 HE ARG 9 HE ARG 9 -4.619 3.940 10.173
465 1HH1 ARG 9 1HH1 ARG 9 -5.596 3.886 11.489
466 2HH1 ARG 9 2HH1 ARG 9 -5.243 3.738 13.171
467 1HH2 ARG 9 1HH2 ARG 9 -1.782 3.766 12.364
468 2HH2 ARG 9 2HH2 ARG 9 -2.916 3.997 13.696
469 H ARG 10 H ARG 10 -1.684 0.130 5.429
470 HA ARG 10 HA ARG 10 -2.725 -2.395 4.717
471 1HB ARG 10 2HB ARG 10 -2.197 0.025 3.517
472 2HB ARG 10 1HB ARG 10 -0.546 -0.648 3.315
473 1HG ARG 10 2HG ARG 10 -3.193 -1.191 1.908
474 2HG ARG 10 1HG ARG 10 -1.667 -0.481 1.357
475 1HD ARG 10 2HD ARG 10 -1.310 -2.515 0.298
476 2HD ARG 10 1HD ARG 10 -0.787 -3.082 1.903
477 HE ARG 10 HE ARG 10 -3.405 -3.620 0.524
478 1HH1 ARG 10 2HH1 ARG 10 -1.455 -5.411 2.707
479 2HH1 ARG 10 1HH1 ARG 10 -2.719 -5.470 3.836
480 1HH2 ARG 10 2HH2 ARG 10 -4.600 -5.049 1.242
481 2HH2 ARG 10 1HH2 ARG 10 -3.769 -6.225 1.913
482 H ARG 11 H ARG 11 -1.135 -2.863 6.885
483 HA ARG 11 HA ARG 11 0.935 -4.724 6.493
484 1HB ARG 11 2HB ARG 11 1.741 -1.806 6.653
485 2HB ARG 11 1HB ARG 11 2.322 -2.667 8.068
486 1HG ARG 11 2HG ARG 11 4.102 -2.847 7.003
487 2HG ARG 11 1HG ARG 11 3.460 -4.364 6.341
488 1HD ARG 11 2HD ARG 11 3.877 -1.540 5.007
489 2HD ARG 11 1HD ARG 11 4.880 -2.984 4.784
490 HE ARG 11 HE ARG 11 1.964 -3.047 3.993
491 1HH1 ARG 11 2HH2 ARG 11 5.292 -4.325 3.029
492 2HH1 ARG 11 1HH2 ARG 11 4.327 -5.330 2.006
493 1HH2 ARG 11 2HH1 ARG 11 1.500 -3.912 2.067
494 2HH2 ARG 11 1HH1 ARG 11 2.689 -4.687 1.085
495 H TRP 12 H TRP 12 0.474 -2.065 8.993
496 HA TRP 12 HA TRP 12 0.106 -3.760 11.102
497 1HB TRP 12 2HB TRP 12 -0.353 -0.764 10.926
498 2HB TRP 12 1HB TRP 12 -0.680 -1.698 12.418
499 HD1 TRP 12 HD1 TRP 12 2.388 -0.254 10.667
500 HE1 TRP 12 HE1 TRP 12 4.499 -1.088 11.942
501 HE3 TRP 12 HE3 TRP 12 0.225 -3.852 13.576
502 HZ2 TRP 12 HZ2 TRP 12 5.188 -3.174 13.681
503 HZ3 TRP 12 HZ3 TRP 12 1.687 -5.270 15.008
504 HH2 TRP 12 HH2 TRP 12 4.121 -4.940 15.049
505 H ARG 13 H ARG 13 -2.472 -2.839 8.912
506 HA ARG 13 HA ARG 13 -4.658 -3.356 10.556
507 1HB ARG 13 2HB ARG 13 -4.535 -2.007 8.447
508 2HB ARG 13 1HB ARG 13 -4.523 -3.504 7.472
509 1HG ARG 13 2HG ARG 13 -6.961 -3.814 8.088
510 2HG ARG 13 1HG ARG 13 -6.802 -2.622 9.399
511 1HD ARG 13 2HD ARG 13 -6.504 -0.753 7.749
512 2HD ARG 13 1HD ARG 13 -6.631 -1.907 6.377
513 HE ARG 13 HE ARG 13 -8.983 -1.601 6.590
514 1HH1 ARG 13 2HH1 ARG 13 -8.308 -0.117 9.612
515 2HH1 ARG 13 1HH1 ARG 13 -9.817 -0.502 10.009
516 1HH2 ARG 13 2HH2 ARG 13 -10.780 -1.740 7.272
517 2HH2 ARG 13 1HH2 ARG 13 -11.125 -1.210 8.893
518 H GLU 14 H GLU 14 -2.955 -5.397 8.079
519 HA GLU 14 HA GLU 14 -3.946 -7.890 8.161
520 1HB GLU 14 2HB GLU 14 -0.922 -7.254 8.221
521 2HB GLU 14 1HB GLU 14 -1.603 -8.788 7.685
522 1HG GLU 14 2HG GLU 14 -0.733 -6.886 5.985
523 2HG GLU 14 1HG GLU 14 -2.111 -7.963 5.606
524 H ARG 15 H ARG 15 -1.600 -6.756 10.534
525 HA ARG 15 HA ARG 15 -1.466 -9.140 12.075
526 1HB ARG 15 2HB ARG 15 -0.639 -6.275 12.803
527 2HB ARG 15 1HB ARG 15 -0.315 -7.680 13.838
528 1HG ARG 15 2HG ARG 15 1.737 -7.025 12.605
529 2HG ARG 15 1HG ARG 15 1.244 -8.705 12.213
530 1HD ARG 15 2HD ARG 15 0.364 -7.937 10.001
531 2HD ARG 15 1HD ARG 15 0.819 -6.244 10.412
532 HE ARG 15 HE ARG 15 2.523 -8.299 9.350
533 1HH1 ARG 15 2HH1 ARG 15 2.572 -4.926 10.732
534 2HH1 ARG 15 1HH1 ARG 15 4.117 -4.800 9.929
535 1HH2 ARG 15 1HH2 ARG 15 4.886 -7.815 9.394
536 2HH2 ARG 15 2HH2 ARG 15 5.129 -6.148 9.073
537 H GLN 16 H GLN 16 -4.079 -6.955 11.959
538 HA GLN 16 HA GLN 16 -5.373 -8.057 14.290
539 1HB GLN 16 2HB GLN 16 -5.109 -6.167 15.401
540 2HB GLN 16 1HB GLN 16 -4.431 -5.302 14.008
541 1HG GLN 16 2HG GLN 16 -7.446 -5.451 14.598
542 2HG GLN 16 1HG GLN 16 -6.314 -4.172 15.139
543 1HE2 GLN 16 2HE2 GLN 16 -8.032 -3.502 11.700
544 2HE2 GLN 16 1HE2 GLN 16 -8.540 -4.753 12.830
545 H ARG 17 H ARG 17 -5.798 -6.637 11.077
546 HA ARG 17 HA ARG 17 -8.432 -6.479 10.433
547 1HB ARG 17 2HB ARG 17 -6.525 -5.766 9.163
548 2HB ARG 17 1HB ARG 17 -6.055 -7.475 8.822
549 1HG ARG 17 2HG ARG 17 -8.191 -7.583 7.356
550 2HG ARG 17 1HG ARG 17 -8.520 -5.871 7.827
551 1HD ARG 17 2HD ARG 17 -6.155 -5.315 6.798
552 2HD ARG 17 1HD ARG 17 -6.143 -6.990 6.160
553 HE ARG 17 HE ARG 17 -8.240 -4.878 5.344
554 1HH1 ARG 17 1HH1 ARG 17 -5.828 -6.848 3.812
555 2HH1 ARG 17 2HH1 ARG 17 -6.919 -6.930 2.470
556 1HH2 ARG 17 2HH2 ARG 17 -9.239 -5.133 3.675
557 2HH2 ARG 17 1HH2 ARG 17 -8.664 -6.184 2.456
No H/Q in entry = 557
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