Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
602681 | 2naw RC | 25949 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 H HIS 1 -8.602 -9.560 -14.079
2 HA HIS 1 HA HIS 1 -6.823 -8.211 -14.544
3 HB2 HIS 1 2HB HIS 1 -7.706 -6.572 -12.162
4 HB3 HIS 1 1HB HIS 1 -6.356 -6.181 -13.218
5 HD1 HIS 1 1HD HIS 1 -9.698 -5.204 -12.641
6 HD2 HIS 1 2HD HIS 1 -7.429 -5.919 -16.043
7 HE1 HIS 1 1HE HIS 1 -10.873 -4.005 -14.505
8 H GLY 2 H GLY 2 -7.700 -9.830 -11.816
9 HA2 GLY 2 2HA GLY 2 -6.345 -11.291 -10.562
10 HA3 GLY 2 1HA GLY 2 -4.921 -10.405 -11.108
11 H GLU 3 H GLU 3 -4.551 -10.701 -8.648
12 HA GLU 3 HA GLU 3 -6.028 -8.747 -7.180
13 HB2 GLU 3 2HB GLU 3 -4.658 -9.421 -5.192
14 HB3 GLU 3 1HB GLU 3 -5.616 -10.700 -5.905
15 HG2 GLU 3 2HG GLU 3 -3.636 -11.628 -6.950
16 HG3 GLU 3 1HG GLU 3 -2.672 -10.296 -6.318
17 H GLY 4 H GLY 4 -5.566 -6.943 -8.201
18 HA2 GLY 4 2HA GLY 4 -2.871 -5.850 -7.906
19 HA3 GLY 4 1HA GLY 4 -4.200 -5.104 -8.808
20 H THR 5 H THR 5 -2.930 -5.811 -5.678
21 HA THR 5 HA THR 5 -5.100 -4.383 -4.410
22 HB THR 5 HB THR 5 -2.814 -5.881 -3.143
23 HG1 THR 5 1HG THR 5 -3.826 -7.652 -3.581
24 HG21 THR 5 3HG2 THR 5 -4.102 -4.390 -1.648
25 HG22 THR 5 1HG2 THR 5 -4.383 -6.089 -1.261
26 HG23 THR 5 2HG2 THR 5 -5.594 -5.178 -2.163
27 H PHE 6 H PHE 6 -4.788 -2.250 -4.395
28 HA PHE 6 HA PHE 6 -2.188 -1.126 -3.777
29 HB2 PHE 6 2HB PHE 6 -4.877 0.206 -4.282
30 HB3 PHE 6 1HB PHE 6 -3.362 1.061 -4.033
31 HD1 PHE 6 2HD PHE 6 -1.559 0.877 -5.737
32 HD2 PHE 6 1HD PHE 6 -5.462 -0.681 -6.397
33 HE1 PHE 6 2HE PHE 6 -1.112 0.780 -8.145
34 HE2 PHE 6 1HE PHE 6 -5.022 -0.788 -8.806
35 HZ PHE 6 HZ PHE 6 -2.839 -0.054 -9.689
36 H THR 7 H THR 7 -1.637 -1.061 -1.676
37 HA THR 7 HA THR 7 -3.750 -1.327 0.219
38 HB THR 7 HB THR 7 -1.713 -1.598 1.795
39 HG1 THR 7 1HG THR 7 0.069 -1.077 0.640
40 HG21 THR 7 3HG2 THR 7 -2.260 -3.601 -0.403
41 HG22 THR 7 1HG2 THR 7 -3.199 -3.428 1.080
42 HG23 THR 7 2HG2 THR 7 -1.520 -3.957 1.157
43 H SER 8 H SER 8 -4.164 -0.001 1.834
44 HA SER 8 HA SER 8 -2.785 2.567 1.896
45 HB2 SER 8 2HB SER 8 -5.698 1.996 2.485
46 HB3 SER 8 1HB SER 8 -4.908 3.578 2.435
47 HG SER 8 HG SER 8 -4.342 2.358 0.202
48 H ASP 9 H ASP 9 -1.390 1.505 3.369
49 HA ASP 9 HA ASP 9 -0.468 1.349 5.376
50 HB2 ASP 9 2HB ASP 9 -1.828 3.145 6.268
51 HB3 ASP 9 1HB ASP 9 -3.180 2.043 6.535
52 H LEU 10 H LEU 10 -3.017 -0.426 4.357
53 HA LEU 10 HA LEU 10 -3.355 -2.419 6.240
54 HB2 LEU 10 2HB LEU 10 -4.737 -2.047 4.216
55 HB3 LEU 10 1HB LEU 10 -3.443 -2.659 3.224
56 HG LEU 10 HG LEU 10 -4.890 -4.383 5.261
57 HD11 LEU 10 1HD1 LEU 10 -6.218 -5.204 3.369
58 HD12 LEU 10 2HD1 LEU 10 -5.489 -3.976 2.334
59 HD13 LEU 10 3HD1 LEU 10 -6.515 -3.497 3.687
60 HD21 LEU 10 3HD2 LEU 10 -3.299 -5.078 2.781
61 HD22 LEU 10 1HD2 LEU 10 -4.092 -6.222 3.863
62 HD23 LEU 10 2HD2 LEU 10 -2.731 -5.257 4.441
63 H SER 11 H SER 11 -0.960 -2.324 3.557
64 HA SER 11 HA SER 11 0.495 -4.341 5.098
65 HB2 SER 11 2HB SER 11 0.716 -3.663 2.168
66 HB3 SER 11 1HB SER 11 1.654 -4.899 3.012
67 HG SER 11 HG SER 11 -0.443 -5.734 3.659
68 H LYS 12 H LYS 12 0.496 -1.078 4.148
69 HA LYS 12 HA LYS 12 2.017 0.470 3.772
70 HB2 LYS 12 2HB LYS 12 1.611 0.431 6.213
71 HB3 LYS 12 1HB LYS 12 3.141 -0.448 6.381
72 HG2 LYS 12 2HG LYS 12 4.347 1.398 5.415
73 HG3 LYS 12 1HG LYS 12 2.842 2.274 5.131
74 HD2 LYS 12 2HD LYS 12 2.449 2.286 7.545
75 HD3 LYS 12 1HD LYS 12 4.018 1.497 7.770
76 HE2 LYS 12 2HE LYS 12 3.593 4.182 6.446
77 HE3 LYS 12 1HE LYS 12 4.152 3.955 8.100
78 HZ1 LYS 12 3HZ LYS 12 5.564 3.018 5.658
79 HZ2 LYS 12 1HZ LYS 12 6.103 2.828 7.247
80 HZ3 LYS 12 2HZ LYS 12 5.981 4.369 6.581
81 H GLN 13 H GLN 13 2.734 -0.876 2.132
82 HA GLN 13 HA GLN 13 5.673 -1.200 2.201
83 HB2 GLN 13 2HB GLN 13 3.799 -3.239 0.968
84 HB3 GLN 13 1HB GLN 13 5.550 -3.264 0.839
85 HG2 GLN 13 2HG GLN 13 5.743 -3.625 3.216
86 HG3 GLN 13 1HG GLN 13 3.994 -3.501 3.399
87 HE21 GLN 13 1HE2 GLN 13 5.769 -5.653 4.060
88 HE22 GLN 13 2HE2 GLN 13 5.226 -7.042 3.187
89 H MET 14 H MET 14 3.334 -2.014 -0.338
90 HA MET 14 HA MET 14 4.458 0.180 -1.907
91 HB2 MET 14 2HB MET 14 4.592 -2.187 -2.887
92 HB3 MET 14 1HB MET 14 2.844 -2.183 -2.953
93 HG2 MET 14 2HG MET 14 4.551 -0.156 -4.391
94 HG3 MET 14 1HG MET 14 4.055 -1.673 -5.114
95 HE1 MET 14 3HE MET 14 1.032 -2.008 -4.139
96 HE2 MET 14 1HE MET 14 1.569 -2.242 -5.805
97 HE3 MET 14 2HE MET 14 0.181 -1.209 -5.461
98 H GLU 15 H GLU 15 3.312 1.696 -1.002
99 HA GLU 15 HA GLU 15 0.412 1.458 -0.839
100 HB2 GLU 15 2HB GLU 15 2.224 3.630 0.194
101 HB3 GLU 15 1HB GLU 15 0.541 3.349 0.619
102 HG2 GLU 15 2HG GLU 15 2.871 1.569 1.283
103 HG3 GLU 15 1HG GLU 15 2.008 2.621 2.401
104 H GLU 16 H GLU 16 -0.833 3.135 -1.729
105 HA GLU 16 HA GLU 16 0.601 4.612 -3.809
106 HB2 GLU 16 2HB GLU 16 -1.099 3.075 -4.698
107 HB3 GLU 16 1HB GLU 16 -2.333 3.888 -3.746
108 HG2 GLU 16 2HG GLU 16 -1.948 5.944 -4.965
109 HG3 GLU 16 1HG GLU 16 -0.678 5.166 -5.903
110 H GLU 17 H GLU 17 -1.978 4.927 -1.316
111 HA GLU 17 HA GLU 17 -1.948 7.637 -1.787
112 HB2 GLU 17 2HB GLU 17 -3.643 7.675 0.084
113 HB3 GLU 17 1HB GLU 17 -4.100 6.810 -1.361
114 HG2 GLU 17 2HG GLU 17 -4.881 5.552 0.450
115 HG3 GLU 17 1HG GLU 17 -3.465 4.697 -0.142
116 H ALA 18 H ALA 18 -1.797 8.913 -0.239
117 HA ALA 18 HA ALA 18 -0.459 10.377 0.977
118 HB1 ALA 18 1HB ALA 18 -1.308 9.055 2.852
119 HB2 ALA 18 2HB ALA 18 0.343 9.627 3.150
120 HB3 ALA 18 3HB ALA 18 0.062 7.954 2.688
121 H VAL 19 H VAL 19 1.017 8.023 -0.846
122 HA VAL 19 HA VAL 19 3.557 9.336 -0.332
123 HB VAL 19 HB VAL 19 4.680 7.530 -1.546
124 HG11 VAL 19 1HG1 VAL 19 4.480 7.305 0.841
125 HG12 VAL 19 2HG1 VAL 19 4.319 5.712 0.093
126 HG13 VAL 19 3HG1 VAL 19 2.890 6.570 0.663
127 HG21 VAL 19 3HG2 VAL 19 2.932 6.884 -3.051
128 HG22 VAL 19 1HG2 VAL 19 1.968 6.263 -1.707
129 HG23 VAL 19 2HG2 VAL 19 3.500 5.479 -2.133
130 H ARG 20 H ARG 20 1.255 8.439 -2.803
131 HA ARG 20 HA ARG 20 2.516 9.796 -4.927
132 HB2 ARG 20 2HB ARG 20 -0.154 8.614 -4.457
133 HB3 ARG 20 1HB ARG 20 0.048 9.629 -5.863
134 HG2 ARG 20 2HG ARG 20 1.682 7.169 -5.212
135 HG3 ARG 20 1HG ARG 20 0.281 7.210 -6.283
136 HD2 ARG 20 2HD ARG 20 2.260 7.284 -7.657
137 HD3 ARG 20 1HD ARG 20 1.504 8.875 -7.695
138 HE ARG 20 HE ARG 20 3.827 8.213 -6.035
139 HH11 ARG 20 1HH1 ARG 20 2.185 10.424 -8.298
140 HH12 ARG 20 2HH1 ARG 20 3.403 11.598 -8.263
141 HH21 ARG 20 1HH2 ARG 20 5.560 9.830 -6.066
142 HH22 ARG 20 2HH2 ARG 20 5.386 11.213 -7.028
143 H CYS 21 H CYS 21 0.873 10.920 -2.292
144 HA CYS 21 HA CYS 21 0.409 13.476 -3.644
145 HB2 CYS 21 2HB CYS 21 -1.530 12.694 -2.380
146 HB3 CYS 21 1HB CYS 21 -0.548 12.543 -0.927
147 H PHE 22 H PHE 22 2.163 11.833 -1.168
148 HA PHE 22 HA PHE 22 3.204 13.827 0.408
149 HB2 PHE 22 2HB PHE 22 3.277 11.374 0.739
150 HB3 PHE 22 1HB PHE 22 4.517 11.283 -0.498
151 HD1 PHE 22 1HD PHE 22 3.707 12.591 2.803
152 HD2 PHE 22 2HD PHE 22 6.741 11.639 0.023
153 HE1 PHE 22 1HE PHE 22 5.358 12.894 4.561
154 HE2 PHE 22 2HE PHE 22 8.462 11.957 1.770
155 HZ PHE 22 HZ PHE 22 7.774 12.587 4.056
156 H ILE 23 H ILE 23 4.771 12.241 -2.331
157 HA ILE 23 HA ILE 23 7.069 13.898 -2.342
158 HB ILE 23 HB ILE 23 5.962 12.038 -4.481
159 HG12 ILE 23 2HG1 ILE 23 6.415 10.923 -2.344
160 HG13 ILE 23 1HG1 ILE 23 7.528 10.387 -3.594
161 HG21 ILE 23 1HG2 ILE 23 7.585 13.591 -5.448
162 HG22 ILE 23 2HG2 ILE 23 8.227 11.946 -5.386
163 HG23 ILE 23 3HG2 ILE 23 8.742 13.139 -4.193
164 HD11 ILE 23 3HD1 ILE 23 8.155 12.372 -1.406
165 HD12 ILE 23 1HD1 ILE 23 9.265 11.833 -2.664
166 HD13 ILE 23 2HD1 ILE 23 8.668 10.688 -1.464
167 H GLU 24 H GLU 24 3.962 14.300 -3.645
168 HA GLU 24 HA GLU 24 4.736 16.203 -5.705
169 HB2 GLU 24 2HB GLU 24 1.989 15.418 -4.765
170 HB3 GLU 24 1HB GLU 24 2.437 16.132 -6.313
171 HG2 GLU 24 2HG GLU 24 3.311 13.438 -5.364
172 HG3 GLU 24 1HG GLU 24 1.906 13.702 -6.377
173 H CYS 25 H CYS 25 3.155 16.030 -2.610
174 HA CYS 25 HA CYS 25 2.382 18.730 -2.324
175 HB2 CYS 25 2HB CYS 25 1.499 16.780 -1.057
176 HB3 CYS 25 1HB CYS 25 3.021 16.683 -0.189
177 H LEU 26 H LEU 26 5.269 16.911 -1.730
178 HA LEU 26 HA LEU 26 6.747 18.758 -0.241
179 HB2 LEU 26 2HB LEU 26 7.230 16.299 -0.689
180 HB3 LEU 26 1HB LEU 26 7.774 16.763 -2.277
181 HG LEU 26 HG LEU 26 9.103 17.736 0.266
182 HD11 LEU 26 1HD1 LEU 26 9.799 15.371 -1.468
183 HD12 LEU 26 2HD1 LEU 26 9.173 15.304 0.180
184 HD13 LEU 26 3HD1 LEU 26 10.767 15.990 -0.130
185 HD21 LEU 26 3HD2 LEU 26 11.013 18.166 -1.205
186 HD22 LEU 26 1HD2 LEU 26 9.597 19.057 -1.762
187 HD23 LEU 26 2HD2 LEU 26 10.095 17.583 -2.592
188 H LYS 27 H LYS 27 6.135 18.373 -3.663
189 HA LYS 27 HA LYS 27 7.955 20.437 -4.516
190 HB2 LYS 27 2HB LYS 27 5.571 19.266 -5.978
191 HB3 LYS 27 1HB LYS 27 6.829 20.255 -6.695
192 HG2 LYS 27 2HG LYS 27 8.466 18.491 -6.236
193 HG3 LYS 27 1HG LYS 27 7.186 17.503 -5.525
194 HD2 LYS 27 2HD LYS 27 5.984 17.541 -7.671
195 HD3 LYS 27 1HD LYS 27 7.291 18.491 -8.377
196 HE2 LYS 27 2HE LYS 27 7.542 16.156 -8.985
197 HE3 LYS 27 1HE LYS 27 8.850 16.645 -7.911
198 HZ1 LYS 27 3HZ LYS 27 6.423 15.128 -7.105
199 HZ2 LYS 27 1HZ LYS 27 7.694 15.583 -6.071
200 HZ3 LYS 27 2HZ LYS 27 7.965 14.494 -7.326
201 H GLY 28 H GLY 28 4.431 20.147 -4.351
202 HA2 GLY 28 2HA GLY 28 3.412 21.995 -2.950
203 HA3 GLY 28 1HA GLY 28 4.195 23.097 -4.053
204 H ILE 29 H ILE 29 1.973 20.320 -4.099
205 HA ILE 29 HA ILE 29 0.470 21.897 -5.840
206 HB ILE 29 HB ILE 29 -0.210 19.927 -7.182
207 HG12 ILE 29 2HG1 ILE 29 1.529 17.981 -7.296
208 HG13 ILE 29 1HG1 ILE 29 1.942 18.474 -5.662
209 HG21 ILE 29 1HG2 ILE 29 2.688 20.588 -7.417
210 HG22 ILE 29 2HG2 ILE 29 1.326 21.412 -8.176
211 HG23 ILE 29 3HG2 ILE 29 1.736 19.762 -8.648
212 HD11 ILE 29 3HD1 ILE 29 -0.379 18.066 -4.972
213 HD12 ILE 29 1HD1 ILE 29 0.359 16.612 -5.654
214 HD13 ILE 29 2HD1 ILE 29 -0.773 17.580 -6.605
215 H GLY 30 H GLY 30 -1.225 21.914 -5.259
216 HA2 GLY 30 2HA GLY 30 -2.339 20.882 -2.837
217 HA3 GLY 30 1HA GLY 30 -3.294 21.696 -4.066
218 H HIS 31 H HIS 31 -4.990 20.461 -4.489
219 HA HIS 31 HA HIS 31 -4.822 17.602 -4.126
220 HB2 HIS 31 2HB HIS 31 -7.211 19.349 -4.755
221 HB3 HIS 31 1HB HIS 31 -7.287 17.612 -4.519
222 HD1 HIS 31 1HD HIS 31 -8.100 17.042 -2.211
223 HD2 HIS 31 2HD HIS 31 -5.895 20.563 -2.267
224 HE1 HIS 31 1HE HIS 31 -8.148 17.920 0.139
225 H LYS 32 H LYS 32 -3.467 17.173 -5.840
226 HA LYS 32 HA LYS 32 -4.545 17.371 -8.543
227 HB2 LYS 32 2HB LYS 32 -2.148 17.719 -8.212
228 HB3 LYS 32 1HB LYS 32 -1.997 16.119 -7.503
229 HG2 LYS 32 2HG LYS 32 -2.510 15.103 -9.645
230 HG3 LYS 32 1HG LYS 32 -2.736 16.696 -10.372
231 HD2 LYS 32 2HD LYS 32 -0.401 17.250 -9.918
232 HD3 LYS 32 1HD LYS 32 -0.173 15.696 -9.120
233 HE2 LYS 32 2HE LYS 32 -0.925 16.057 -12.021
234 HE3 LYS 32 1HE LYS 32 0.709 15.759 -11.440
235 HZ1 LYS 32 3HZ LYS 32 -1.608 13.889 -11.167
236 HZ2 LYS 32 1HZ LYS 32 -0.045 13.613 -10.564
237 HZ3 LYS 32 2HZ LYS 32 -0.299 13.742 -12.207
238 H TYR 33 H TYR 33 -4.062 15.008 -6.073
239 HA TYR 33 HA TYR 33 -5.267 12.886 -7.744
240 HB2 TYR 33 2HB TYR 33 -3.634 12.534 -5.190
241 HB3 TYR 33 1HB TYR 33 -4.178 11.272 -6.269
242 HD1 TYR 33 2HD TYR 33 -1.883 14.180 -6.043
243 HD2 TYR 33 1HD TYR 33 -2.872 10.609 -8.142
244 HE1 TYR 33 2HE TYR 33 0.151 14.397 -7.326
245 HE2 TYR 33 1HE TYR 33 -0.808 10.809 -9.438
246 HH TYR 33 HH TYR 33 1.718 12.985 -8.700
247 HA PRO 34 HA PRO 34 -9.017 12.955 -5.350
248 HB2 PRO 34 2HB PRO 34 -9.077 10.208 -4.657
249 HB3 PRO 34 1HB PRO 34 -9.841 10.941 -6.061
250 HG2 PRO 34 2HG PRO 34 -7.251 9.509 -5.858
251 HG3 PRO 34 1HG PRO 34 -8.400 9.577 -7.203
252 HD2 PRO 34 2HD PRO 34 -6.105 10.914 -7.282
253 HD3 PRO 34 1HD PRO 34 -7.595 11.624 -7.937
254 H PHE 35 H PHE 35 -6.538 10.877 -4.030
255 HA PHE 35 HA PHE 35 -7.424 11.241 -1.314
256 HB2 PHE 35 2HB PHE 35 -5.556 9.591 -0.855
257 HB3 PHE 35 1HB PHE 35 -6.871 9.022 -1.879
258 HD1 PHE 35 2HD PHE 35 -3.361 10.054 -1.810
259 HD2 PHE 35 1HD PHE 35 -6.539 8.564 -4.189
260 HE1 PHE 35 2HE PHE 35 -1.766 9.507 -3.587
261 HE2 PHE 35 1HE PHE 35 -5.009 8.029 -5.968
262 HZ PHE 35 HZ PHE 35 -2.576 8.482 -5.699
263 H CYS 36 H CYS 36 -5.686 13.166 -3.199
264 HA CYS 36 HA CYS 36 -3.408 13.537 -1.410
265 HB2 CYS 36 2HB CYS 36 -2.960 13.576 -3.793
266 HB3 CYS 36 1HB CYS 36 -4.077 14.927 -4.016
267 H HIS 37 H HIS 37 -3.772 14.555 0.320
268 HA HIS 37 HA HIS 37 -5.439 16.922 0.134
269 HB2 HIS 37 2HB HIS 37 -4.985 15.064 2.477
270 HB3 HIS 37 1HB HIS 37 -5.641 16.682 2.685
271 HD1 HIS 37 1HD HIS 37 -8.120 16.497 3.005
272 HD2 HIS 37 2HD HIS 37 -6.695 13.751 0.231
273 HE1 HIS 37 1HE HIS 37 -10.145 15.253 2.160
274 H CYS 38 H CYS 38 -3.643 17.872 -0.743
275 HA CYS 38 HA CYS 38 -1.716 18.719 1.282
276 HB2 CYS 38 2HB CYS 38 -0.725 17.630 -0.725
277 HB3 CYS 38 1HB CYS 38 -1.439 18.886 -1.730
278 H ARG 39 H ARG 39 -1.330 20.953 1.511
279 HA ARG 39 HA ARG 39 -3.596 22.598 0.593
280 HB2 ARG 39 2HB ARG 39 -1.786 22.963 2.945
281 HB3 ARG 39 1HB ARG 39 -3.094 24.055 2.511
282 HG2 ARG 39 2HG ARG 39 -4.730 22.284 2.909
283 HG3 ARG 39 1HG ARG 39 -3.431 21.154 3.288
284 HD2 ARG 39 2HD ARG 39 -4.419 21.963 5.347
285 HD3 ARG 39 1HD ARG 39 -2.784 22.586 5.191
286 HE ARG 39 HE ARG 39 -4.589 24.451 4.133
287 HH11 ARG 39 1HH1 ARG 39 -3.652 23.112 7.280
288 HH12 ARG 39 2HH1 ARG 39 -4.000 24.512 8.150
289 HH21 ARG 39 1HH2 ARG 39 -5.083 26.391 5.312
290 HH22 ARG 39 2HH2 ARG 39 -4.847 26.453 6.998
Start of MODEL 2
1 H1 HIS 1 H HIS 1 -18.602 -10.081 -15.594
2 HA HIS 1 HA HIS 1 -17.334 -8.129 -16.903
3 HB2 HIS 1 2HB HIS 1 -16.791 -6.416 -15.170
4 HB3 HIS 1 1HB HIS 1 -18.485 -6.396 -15.626
5 HD1 HIS 1 1HD HIS 1 -16.224 -6.906 -12.670
6 HD2 HIS 1 2HD HIS 1 -20.259 -7.313 -13.615
7 HE1 HIS 1 1HE HIS 1 -17.434 -7.104 -10.481
8 H GLY 2 H GLY 2 -15.131 -8.215 -16.572
9 HA2 GLY 2 2HA GLY 2 -13.171 -8.803 -15.440
10 HA3 GLY 2 1HA GLY 2 -14.122 -9.783 -14.330
11 H GLU 3 H GLU 3 -11.980 -10.915 -15.148
12 HA GLU 3 HA GLU 3 -11.044 -12.715 -16.016
13 HB2 GLU 3 2HB GLU 3 -13.148 -13.848 -15.358
14 HB3 GLU 3 1HB GLU 3 -13.820 -13.470 -16.936
15 HG2 GLU 3 2HG GLU 3 -12.268 -14.901 -18.023
16 HG3 GLU 3 1HG GLU 3 -11.379 -15.158 -16.523
17 H GLY 4 H GLY 4 -9.712 -12.738 -17.622
18 HA2 GLY 4 2HA GLY 4 -8.975 -12.656 -19.845
19 HA3 GLY 4 1HA GLY 4 -10.601 -12.157 -20.333
20 H THR 5 H THR 5 -11.248 -10.078 -19.149
21 HA THR 5 HA THR 5 -9.210 -8.074 -19.653
22 HB THR 5 HB THR 5 -12.172 -7.822 -19.022
23 HG1 THR 5 1HG THR 5 -11.895 -7.043 -21.412
24 HG21 THR 5 3HG2 THR 5 -11.921 -5.492 -19.812
25 HG22 THR 5 1HG2 THR 5 -10.190 -5.754 -20.017
26 HG23 THR 5 2HG2 THR 5 -10.903 -5.803 -18.407
27 H PHE 6 H PHE 6 -7.954 -7.798 -17.918
28 HA PHE 6 HA PHE 6 -9.214 -7.761 -15.287
29 HB2 PHE 6 2HB PHE 6 -6.332 -8.393 -16.002
30 HB3 PHE 6 1HB PHE 6 -6.995 -8.366 -14.375
31 HD1 PHE 6 1HD PHE 6 -8.864 -10.043 -13.834
32 HD2 PHE 6 2HD PHE 6 -6.376 -10.355 -17.271
33 HE1 PHE 6 1HE PHE 6 -9.425 -12.427 -14.014
34 HE2 PHE 6 2HE PHE 6 -6.934 -12.741 -17.463
35 HZ PHE 6 HZ PHE 6 -8.463 -13.787 -15.829
36 H THR 7 H THR 7 -9.501 -5.760 -14.692
37 HA THR 7 HA THR 7 -7.911 -3.677 -15.906
38 HB THR 7 HB THR 7 -10.291 -3.334 -16.029
39 HG1 THR 7 1HG THR 7 -9.422 -1.393 -15.777
40 HG21 THR 7 3HG2 THR 7 -11.019 -4.702 -14.131
41 HG22 THR 7 1HG2 THR 7 -11.722 -3.087 -14.038
42 HG23 THR 7 2HG2 THR 7 -10.355 -3.513 -13.010
43 H SER 8 H SER 8 -6.411 -2.578 -14.904
44 HA SER 8 HA SER 8 -5.978 -3.075 -12.063
45 HB2 SER 8 2HB SER 8 -4.148 -3.643 -13.658
46 HB3 SER 8 1HB SER 8 -4.098 -1.961 -14.168
47 HG SER 8 HG SER 8 -3.389 -1.367 -12.129
48 H ASP 9 H ASP 9 -5.649 -1.302 -10.702
49 HA ASP 9 HA ASP 9 -5.791 0.789 -9.857
50 HB2 ASP 9 2HB ASP 9 -5.321 1.543 -12.725
51 HB3 ASP 9 1HB ASP 9 -5.395 2.737 -11.422
52 H LEU 10 H LEU 10 -8.104 -0.675 -10.963
53 HA LEU 10 HA LEU 10 -9.992 1.358 -11.744
54 HB2 LEU 10 2HB LEU 10 -10.053 -1.102 -12.443
55 HB3 LEU 10 1HB LEU 10 -10.499 -1.487 -10.804
56 HG LEU 10 HG LEU 10 -12.390 -1.572 -12.396
57 HD11 LEU 10 1HD1 LEU 10 -12.724 0.546 -10.295
58 HD12 LEU 10 2HD1 LEU 10 -12.912 -1.194 -10.077
59 HD13 LEU 10 3HD1 LEU 10 -14.029 -0.309 -11.117
60 HD21 LEU 10 3HD2 LEU 10 -13.337 0.483 -13.309
61 HD22 LEU 10 1HD2 LEU 10 -11.707 0.191 -13.909
62 HD23 LEU 10 2HD2 LEU 10 -11.982 1.404 -12.656
63 H SER 11 H SER 11 -9.245 -0.606 -8.896
64 HA SER 11 HA SER 11 -10.977 0.976 -7.218
65 HB2 SER 11 2HB SER 11 -10.001 -0.582 -5.474
66 HB3 SER 11 1HB SER 11 -10.890 -1.378 -6.779
67 HG SER 11 HG SER 11 -8.958 -2.440 -6.438
68 H LYS 12 H LYS 12 -7.863 0.954 -8.440
69 HA LYS 12 HA LYS 12 -5.926 2.073 -8.165
70 HB2 LYS 12 2HB LYS 12 -7.688 3.856 -8.303
71 HB3 LYS 12 1HB LYS 12 -7.545 3.985 -6.553
72 HG2 LYS 12 2HG LYS 12 -5.073 4.327 -6.953
73 HG3 LYS 12 1HG LYS 12 -5.511 4.574 -8.649
74 HD2 LYS 12 2HD LYS 12 -5.526 6.700 -7.710
75 HD3 LYS 12 1HD LYS 12 -7.197 6.054 -7.849
76 HE2 LYS 12 2HE LYS 12 -6.674 7.257 -5.657
77 HE3 LYS 12 1HE LYS 12 -7.420 5.671 -5.547
78 HZ1 LYS 12 3HZ LYS 12 -4.492 6.195 -5.281
79 HZ2 LYS 12 1HZ LYS 12 -5.281 4.718 -5.046
80 HZ3 LYS 12 2HZ LYS 12 -5.587 5.993 -3.983
81 H GLN 13 H GLN 13 -6.711 0.185 -6.302
82 HA GLN 13 HA GLN 13 -5.750 0.911 -3.678
83 HB2 GLN 13 2HB GLN 13 -7.740 -0.456 -3.959
84 HB3 GLN 13 1HB GLN 13 -6.825 -1.635 -4.877
85 HG2 GLN 13 2HG GLN 13 -5.486 -2.093 -2.959
86 HG3 GLN 13 1HG GLN 13 -6.419 -0.922 -2.014
87 HE21 GLN 13 1HE2 GLN 13 -7.101 -2.506 -0.577
88 HE22 GLN 13 2HE2 GLN 13 -8.273 -3.705 -0.985
89 H MET 14 H MET 14 -4.615 -0.400 -6.605
90 HA MET 14 HA MET 14 -2.573 -2.140 -5.773
91 HB2 MET 14 2HB MET 14 -3.474 -1.982 -8.053
92 HB3 MET 14 1HB MET 14 -2.684 -0.429 -8.259
93 HG2 MET 14 2HG MET 14 -1.426 -2.171 -9.357
94 HG3 MET 14 1HG MET 14 -0.506 -1.526 -7.997
95 HE1 MET 14 3HE MET 14 1.082 -3.654 -8.261
96 HE2 MET 14 1HE MET 14 0.059 -4.259 -9.562
97 HE3 MET 14 2HE MET 14 0.498 -5.320 -8.224
98 H GLU 15 H GLU 15 -2.744 1.278 -5.815
99 HA GLU 15 HA GLU 15 0.142 1.612 -5.368
100 HB2 GLU 15 2HB GLU 15 -0.377 4.030 -5.600
101 HB3 GLU 15 1HB GLU 15 -0.737 3.094 -7.045
102 HG2 GLU 15 2HG GLU 15 -3.095 3.090 -6.485
103 HG3 GLU 15 1HG GLU 15 -2.758 3.942 -4.984
104 H GLU 16 H GLU 16 0.787 2.967 -3.631
105 HA GLU 16 HA GLU 16 -0.950 2.658 -1.312
106 HB2 GLU 16 2HB GLU 16 1.484 1.860 -1.353
107 HB3 GLU 16 1HB GLU 16 1.907 3.570 -1.378
108 HG2 GLU 16 2HG GLU 16 0.860 3.911 0.750
109 HG3 GLU 16 1HG GLU 16 0.289 2.242 0.773
110 H GLU 17 H GLU 17 -1.705 4.501 -0.221
111 HA GLU 17 HA GLU 17 -1.504 6.814 -1.834
112 HB2 GLU 17 2HB GLU 17 -3.476 6.036 0.325
113 HB3 GLU 17 1HB GLU 17 -3.568 7.469 -0.698
114 HG2 GLU 17 2HG GLU 17 -3.778 6.048 -2.682
115 HG3 GLU 17 1HG GLU 17 -3.682 4.617 -1.668
116 H ALA 18 H ALA 18 -1.673 8.633 -0.556
117 HA ALA 18 HA ALA 18 -0.499 10.296 0.551
118 HB1 ALA 18 1HB ALA 18 0.066 9.967 2.888
119 HB2 ALA 18 2HB ALA 18 -0.024 8.214 2.687
120 HB3 ALA 18 3HB ALA 18 -1.485 9.193 2.543
121 H VAL 19 H VAL 19 0.854 7.860 -0.853
122 HA VAL 19 HA VAL 19 3.652 8.712 -0.504
123 HB VAL 19 HB VAL 19 2.445 6.370 -2.036
124 HG11 VAL 19 1HG1 VAL 19 5.350 6.996 -1.520
125 HG12 VAL 19 2HG1 VAL 19 4.513 7.121 -3.069
126 HG13 VAL 19 3HG1 VAL 19 4.721 5.545 -2.307
127 HG21 VAL 19 3HG2 VAL 19 3.979 6.404 0.556
128 HG22 VAL 19 1HG2 VAL 19 3.447 4.961 -0.310
129 HG23 VAL 19 2HG2 VAL 19 2.255 6.074 0.359
130 H ARG 20 H ARG 20 1.105 8.142 -2.790
131 HA ARG 20 HA ARG 20 2.213 9.064 -5.190
132 HB2 ARG 20 2HB ARG 20 -0.658 9.173 -4.268
133 HB3 ARG 20 1HB ARG 20 -0.129 9.209 -5.935
134 HG2 ARG 20 2HG ARG 20 0.285 6.900 -4.033
135 HG3 ARG 20 1HG ARG 20 -1.008 7.021 -5.223
136 HD2 ARG 20 2HD ARG 20 1.910 7.128 -5.964
137 HD3 ARG 20 1HD ARG 20 1.005 5.622 -5.877
138 HE ARG 20 HE ARG 20 -0.401 7.448 -7.458
139 HH11 ARG 20 1HH1 ARG 20 2.553 5.506 -7.601
140 HH12 ARG 20 2HH1 ARG 20 2.492 5.285 -9.279
141 HH21 ARG 20 1HH2 ARG 20 -0.500 7.109 -9.734
142 HH22 ARG 20 2HH2 ARG 20 0.694 6.206 -10.535
143 H CYS 21 H CYS 21 0.905 10.727 -2.489
144 HA CYS 21 HA CYS 21 0.848 13.322 -3.850
145 HB2 CYS 21 2HB CYS 21 -1.293 12.872 -2.885
146 HB3 CYS 21 1HB CYS 21 -0.570 12.224 -1.423
147 H PHE 22 H PHE 22 2.918 11.468 -2.076
148 HA PHE 22 HA PHE 22 3.564 13.139 0.127
149 HB2 PHE 22 2HB PHE 22 3.996 10.699 0.025
150 HB3 PHE 22 1HB PHE 22 5.260 11.021 -1.162
151 HD1 PHE 22 1HD PHE 22 4.247 11.319 2.286
152 HD2 PHE 22 2HD PHE 22 7.396 11.927 -0.475
153 HE1 PHE 22 1HE PHE 22 5.812 11.633 4.159
154 HE2 PHE 22 2HE PHE 22 8.985 12.251 1.374
155 HZ PHE 22 HZ PHE 22 8.191 12.104 3.703
156 H ILE 23 H ILE 23 5.538 12.341 -2.720
157 HA ILE 23 HA ILE 23 7.413 14.418 -2.211
158 HB ILE 23 HB ILE 23 6.935 12.970 -4.855
159 HG12 ILE 23 2HG1 ILE 23 9.129 11.767 -4.127
160 HG13 ILE 23 1HG1 ILE 23 8.709 12.357 -2.523
161 HG21 ILE 23 1HG2 ILE 23 9.208 13.671 -5.466
162 HG22 ILE 23 2HG2 ILE 23 9.337 14.548 -3.944
163 HG23 ILE 23 3HG2 ILE 23 8.164 15.060 -5.152
164 HD11 ILE 23 3HD1 ILE 23 8.045 10.038 -2.876
165 HD12 ILE 23 1HD1 ILE 23 6.992 10.542 -4.197
166 HD13 ILE 23 2HD1 ILE 23 6.670 11.083 -2.546
167 H GLU 24 H GLU 24 4.541 14.159 -3.895
168 HA GLU 24 HA GLU 24 4.607 16.483 -5.500
169 HB2 GLU 24 2HB GLU 24 2.173 15.185 -4.306
170 HB3 GLU 24 1HB GLU 24 2.267 16.154 -5.771
171 HG2 GLU 24 2HG GLU 24 3.477 13.499 -5.286
172 HG3 GLU 24 1HG GLU 24 2.081 13.814 -6.303
173 H CYS 25 H CYS 25 3.681 15.820 -2.237
174 HA CYS 25 HA CYS 25 2.621 18.408 -1.717
175 HB2 CYS 25 2HB CYS 25 2.118 16.308 -0.407
176 HB3 CYS 25 1HB CYS 25 3.691 16.489 0.358
177 H LEU 26 H LEU 26 5.813 16.939 -1.465
178 HA LEU 26 HA LEU 26 7.032 19.213 -0.253
179 HB2 LEU 26 2HB LEU 26 8.185 16.972 -1.902
180 HB3 LEU 26 1HB LEU 26 9.171 18.338 -1.447
181 HG LEU 26 HG LEU 26 9.661 16.567 0.036
182 HD11 LEU 26 1HD1 LEU 26 9.609 18.732 1.055
183 HD12 LEU 26 2HD1 LEU 26 9.127 17.483 2.199
184 HD13 LEU 26 3HD1 LEU 26 7.907 18.524 1.478
185 HD21 LEU 26 3HD2 LEU 26 7.995 15.479 1.459
186 HD22 LEU 26 1HD2 LEU 26 7.692 15.186 -0.254
187 HD23 LEU 26 2HD2 LEU 26 6.717 16.365 0.623
188 H LYS 27 H LYS 27 6.221 18.378 -3.495
189 HA LYS 27 HA LYS 27 7.605 20.528 -4.773
190 HB2 LYS 27 2HB LYS 27 5.188 18.953 -5.691
191 HB3 LYS 27 1HB LYS 27 6.080 20.079 -6.695
192 HG2 LYS 27 2HG LYS 27 8.035 18.666 -6.618
193 HG3 LYS 27 1HG LYS 27 7.241 17.582 -5.472
194 HD2 LYS 27 2HD LYS 27 5.525 17.060 -7.171
195 HD3 LYS 27 1HD LYS 27 6.333 18.143 -8.294
196 HE2 LYS 27 2HE LYS 27 8.252 16.740 -8.401
197 HE3 LYS 27 1HE LYS 27 7.682 15.754 -7.057
198 HZ1 LYS 27 3HZ LYS 27 6.325 15.935 -9.709
199 HZ2 LYS 27 1HZ LYS 27 5.878 14.984 -8.384
200 HZ3 LYS 27 2HZ LYS 27 7.308 14.659 -9.196
201 H GLY 28 H GLY 28 4.226 20.039 -3.877
202 HA2 GLY 28 2HA GLY 28 2.907 21.791 -2.875
203 HA3 GLY 28 1HA GLY 28 3.862 22.977 -3.768
204 H ILE 29 H ILE 29 1.229 20.782 -3.866
205 HA ILE 29 HA ILE 29 0.544 21.834 -6.361
206 HB ILE 29 HB ILE 29 -0.228 19.556 -7.184
207 HG12 ILE 29 2HG1 ILE 29 1.165 17.611 -6.361
208 HG13 ILE 29 1HG1 ILE 29 1.524 18.562 -4.921
209 HG21 ILE 29 1HG2 ILE 29 1.978 18.881 -8.019
210 HG22 ILE 29 2HG2 ILE 29 2.700 20.023 -6.881
211 HG23 ILE 29 3HG2 ILE 29 1.648 20.611 -8.169
212 HD11 ILE 29 3HD1 ILE 29 -0.257 17.056 -4.401
213 HD12 ILE 29 1HD1 ILE 29 -1.140 17.554 -5.864
214 HD13 ILE 29 2HD1 ILE 29 -0.916 18.703 -4.569
215 H GLY 30 H GLY 30 -1.114 22.494 -6.220
216 HA2 GLY 30 2HA GLY 30 -3.009 22.163 -4.064
217 HA3 GLY 30 1HA GLY 30 -3.259 23.219 -5.449
218 H HIS 31 H HIS 31 -3.657 20.105 -4.130
219 HA HIS 31 HA HIS 31 -4.833 18.278 -4.584
220 HB2 HIS 31 2HB HIS 31 -6.562 20.340 -5.811
221 HB3 HIS 31 1HB HIS 31 -7.124 18.671 -5.557
222 HD1 HIS 31 1HD HIS 31 -7.817 18.122 -3.063
223 HD2 HIS 31 2HD HIS 31 -6.295 21.938 -3.639
224 HE1 HIS 31 1HE HIS 31 -8.284 19.392 -0.930
225 H LYS 32 H LYS 32 -3.144 17.514 -5.953
226 HA LYS 32 HA LYS 32 -3.800 17.429 -8.798
227 HB2 LYS 32 2HB LYS 32 -1.409 17.602 -8.115
228 HB3 LYS 32 1HB LYS 32 -1.544 16.054 -7.293
229 HG2 LYS 32 2HG LYS 32 -2.026 14.971 -9.446
230 HG3 LYS 32 1HG LYS 32 -1.818 16.517 -10.260
231 HD2 LYS 32 2HD LYS 32 0.304 15.071 -8.662
232 HD3 LYS 32 1HD LYS 32 0.174 15.069 -10.417
233 HE2 LYS 32 2HE LYS 32 0.438 17.541 -10.376
234 HE3 LYS 32 1HE LYS 32 0.698 17.434 -8.636
235 HZ1 LYS 32 3HZ LYS 32 2.663 16.039 -9.059
236 HZ2 LYS 32 1HZ LYS 32 2.810 17.506 -9.886
237 HZ3 LYS 32 2HZ LYS 32 2.365 16.113 -10.698
238 H TYR 33 H TYR 33 -4.433 15.723 -5.956
239 HA TYR 33 HA TYR 33 -5.524 13.469 -7.460
240 HB2 TYR 33 2HB TYR 33 -4.134 13.138 -4.792
241 HB3 TYR 33 1HB TYR 33 -4.781 11.891 -5.812
242 HD1 TYR 33 1HD TYR 33 -2.039 14.330 -5.498
243 HD2 TYR 33 2HD TYR 33 -3.507 10.917 -7.553
244 HE1 TYR 33 1HE TYR 33 0.141 14.026 -6.494
245 HE2 TYR 33 2HE TYR 33 -1.316 10.580 -8.570
246 HH TYR 33 HH TYR 33 1.440 12.172 -7.435
247 HA PRO 34 HA PRO 34 -9.189 14.373 -4.963
248 HB2 PRO 34 2HB PRO 34 -9.307 11.399 -4.739
249 HB3 PRO 34 1HB PRO 34 -10.567 12.502 -5.267
250 HG2 PRO 34 2HG PRO 34 -9.291 11.026 -7.033
251 HG3 PRO 34 1HG PRO 34 -9.651 12.724 -7.399
252 HD2 PRO 34 2HD PRO 34 -7.077 11.455 -6.607
253 HD3 PRO 34 1HD PRO 34 -7.396 12.765 -7.763
254 H PHE 35 H PHE 35 -7.002 11.859 -3.986
255 HA PHE 35 HA PHE 35 -7.797 11.930 -1.185
256 HB2 PHE 35 2HB PHE 35 -6.485 9.804 -1.098
257 HB3 PHE 35 1HB PHE 35 -7.845 9.771 -2.221
258 HD1 PHE 35 1HD PHE 35 -7.404 10.036 -4.665
259 HD2 PHE 35 2HD PHE 35 -4.303 9.442 -1.843
260 HE1 PHE 35 1HE PHE 35 -5.955 9.450 -6.460
261 HE2 PHE 35 2HE PHE 35 -2.769 8.824 -3.622
262 HZ PHE 35 HZ PHE 35 -3.561 8.809 -5.989
263 H CYS 36 H CYS 36 -5.916 13.813 -2.723
264 HA CYS 36 HA CYS 36 -3.471 13.363 -1.216
265 HB2 CYS 36 2HB CYS 36 -3.086 13.894 -3.489
266 HB3 CYS 36 1HB CYS 36 -4.134 15.311 -3.451
267 H HIS 37 H HIS 37 -3.255 14.223 0.674
268 HA HIS 37 HA HIS 37 -5.134 16.244 1.606
269 HB2 HIS 37 2HB HIS 37 -3.240 14.379 3.032
270 HB3 HIS 37 1HB HIS 37 -4.169 15.615 3.863
271 HD1 HIS 37 1HD HIS 37 -6.323 14.757 4.813
272 HD2 HIS 37 2HD HIS 37 -5.048 12.509 1.555
273 HE1 HIS 37 1HE HIS 37 -7.963 12.846 4.583
274 H CYS 38 H CYS 38 -3.026 17.187 -0.132
275 HA CYS 38 HA CYS 38 -1.249 18.504 1.785
276 HB2 CYS 38 2HB CYS 38 -0.235 17.214 -0.131
277 HB3 CYS 38 1HB CYS 38 -0.935 18.404 -1.219
278 H ARG 39 H ARG 39 -4.083 19.048 0.500
279 HA ARG 39 HA ARG 39 -5.383 20.782 -0.159
280 HB2 ARG 39 2HB ARG 39 -3.411 22.272 1.530
281 HB3 ARG 39 1HB ARG 39 -4.790 23.069 0.783
282 HG2 ARG 39 2HG ARG 39 -5.450 22.619 3.008
283 HG3 ARG 39 1HG ARG 39 -6.246 21.398 2.023
284 HD2 ARG 39 2HD ARG 39 -5.405 20.340 3.993
285 HD3 ARG 39 1HD ARG 39 -4.404 19.820 2.635
286 HE ARG 39 HE ARG 39 -3.152 22.010 3.693
287 HH11 ARG 39 1HH1 ARG 39 -4.052 18.805 4.894
288 HH12 ARG 39 2HH1 ARG 39 -2.848 18.759 6.103
289 HH21 ARG 39 1HH2 ARG 39 -1.479 21.928 5.352
290 HH22 ARG 39 2HH2 ARG 39 -1.346 20.555 6.347
Start of MODEL 3
1 H1 HIS 1 H HIS 1 -5.828 3.817 25.045
2 HA HIS 1 HA HIS 1 -6.685 6.113 23.857
3 HB2 HIS 1 2HB HIS 1 -5.786 6.566 26.714
4 HB3 HIS 1 1HB HIS 1 -5.914 7.827 25.497
5 HD1 HIS 1 1HD HIS 1 -7.721 6.624 28.272
6 HD2 HIS 1 2HD HIS 1 -8.772 7.737 24.409
7 HE1 HIS 1 1HE HIS 1 -10.175 7.194 28.354
8 H GLY 2 H GLY 2 -4.860 7.505 23.320
9 HA2 GLY 2 2HA GLY 2 -2.549 7.959 23.283
10 HA3 GLY 2 1HA GLY 2 -2.239 6.305 23.804
11 H GLU 3 H GLU 3 -0.978 7.485 21.624
12 HA GLU 3 HA GLU 3 -1.725 5.656 19.517
13 HB2 GLU 3 2HB GLU 3 -2.973 7.922 19.250
14 HB3 GLU 3 1HB GLU 3 -1.395 8.614 18.953
15 HG2 GLU 3 2HG GLU 3 -2.748 6.497 17.285
16 HG3 GLU 3 1HG GLU 3 -2.623 8.204 16.892
17 H GLY 4 H GLY 4 0.230 4.756 19.081
18 HA2 GLY 4 2HA GLY 4 2.570 6.518 19.086
19 HA3 GLY 4 1HA GLY 4 2.600 5.057 20.063
20 H THR 5 H THR 5 0.996 5.231 16.959
21 HA THR 5 HA THR 5 3.128 3.546 15.945
22 HB THR 5 HB THR 5 1.237 2.497 14.517
23 HG1 THR 5 1HG THR 5 -0.224 4.192 15.987
24 HG21 THR 5 3HG2 THR 5 0.788 0.822 16.279
25 HG22 THR 5 1HG2 THR 5 1.445 1.930 17.482
26 HG23 THR 5 2HG2 THR 5 2.490 1.271 16.225
27 H PHE 6 H PHE 6 4.191 4.628 14.490
28 HA PHE 6 HA PHE 6 2.710 6.293 12.592
29 HB2 PHE 6 2HB PHE 6 4.341 7.425 14.244
30 HB3 PHE 6 1HB PHE 6 5.621 6.585 13.385
31 HD1 PHE 6 1HD PHE 6 3.091 9.211 13.206
32 HD2 PHE 6 2HD PHE 6 6.311 7.317 11.195
33 HE1 PHE 6 1HE PHE 6 3.187 11.072 11.628
34 HE2 PHE 6 2HE PHE 6 6.414 9.175 9.592
35 HZ PHE 6 HZ PHE 6 4.852 11.065 9.801
36 H THR 7 H THR 7 2.786 5.451 10.563
37 HA THR 7 HA THR 7 4.739 3.323 10.108
38 HB THR 7 HB THR 7 1.942 3.586 8.977
39 HG1 THR 7 1HG THR 7 1.820 3.165 11.114
40 HG21 THR 7 3HG2 THR 7 3.890 1.282 8.977
41 HG22 THR 7 1HG2 THR 7 3.519 2.300 7.585
42 HG23 THR 7 2HG2 THR 7 2.266 1.272 8.285
43 H SER 8 H SER 8 6.249 3.985 8.705
44 HA SER 8 HA SER 8 5.398 5.589 6.394
45 HB2 SER 8 2HB SER 8 8.101 5.726 7.743
46 HB3 SER 8 1HB SER 8 7.468 6.795 6.492
47 HG SER 8 HG SER 8 5.782 7.298 8.074
48 H ASP 9 H ASP 9 5.230 3.822 4.996
49 HA ASP 9 HA ASP 9 5.907 2.248 3.486
50 HB2 ASP 9 2HB ASP 9 8.611 3.400 4.106
51 HB3 ASP 9 1HB ASP 9 8.337 2.228 2.820
52 H LEU 10 H LEU 10 5.750 1.569 6.318
53 HA LEU 10 HA LEU 10 8.029 0.023 7.093
54 HB2 LEU 10 2HB LEU 10 6.321 1.098 8.615
55 HB3 LEU 10 1HB LEU 10 5.180 -0.107 8.092
56 HG LEU 10 HG LEU 10 7.708 -0.800 9.606
57 HD11 LEU 10 1HD1 LEU 10 6.341 0.735 10.922
58 HD12 LEU 10 2HD1 LEU 10 6.288 -0.892 11.595
59 HD13 LEU 10 3HD1 LEU 10 4.927 -0.284 10.654
60 HD21 LEU 10 3HD2 LEU 10 6.494 -2.858 10.145
61 HD22 LEU 10 1HD2 LEU 10 6.627 -2.667 8.397
62 HD23 LEU 10 2HD2 LEU 10 5.106 -2.301 9.208
63 H SER 11 H SER 11 4.798 -0.839 5.965
64 HA SER 11 HA SER 11 5.944 -3.303 4.867
65 HB2 SER 11 2HB SER 11 3.032 -2.644 5.340
66 HB3 SER 11 1HB SER 11 3.708 -4.210 4.887
67 HG SER 11 HG SER 11 3.803 -2.838 7.304
68 H LYS 12 H LYS 12 4.841 -0.221 4.263
69 HA LYS 12 HA LYS 12 4.399 1.088 2.523
70 HB2 LYS 12 2HB LYS 12 6.541 -0.033 1.752
71 HB3 LYS 12 1HB LYS 12 5.537 -1.100 0.786
72 HG2 LYS 12 2HG LYS 12 4.763 0.720 -0.541
73 HG3 LYS 12 1HG LYS 12 5.553 1.891 0.523
74 HD2 LYS 12 2HD LYS 12 7.695 0.858 0.006
75 HD3 LYS 12 1HD LYS 12 6.870 -0.216 -1.128
76 HE2 LYS 12 2HE LYS 12 7.942 1.747 -2.240
77 HE3 LYS 12 1HE LYS 12 6.200 1.659 -2.498
78 HZ1 LYS 12 3HZ LYS 12 7.204 3.891 -1.909
79 HZ2 LYS 12 1HZ LYS 12 7.362 3.334 -0.332
80 HZ3 LYS 12 2HZ LYS 12 5.846 3.434 -1.037
81 H GLN 13 H GLN 13 2.666 -0.961 3.405
82 HA GLN 13 HA GLN 13 0.938 -1.546 1.115
83 HB2 GLN 13 2HB GLN 13 0.899 -2.527 3.961
84 HB3 GLN 13 1HB GLN 13 -0.389 -2.866 2.825
85 HG2 GLN 13 2HG GLN 13 2.483 -3.638 2.409
86 HG3 GLN 13 1HG GLN 13 1.259 -4.692 3.112
87 HE21 GLN 13 1HE2 GLN 13 1.355 -6.196 1.503
88 HE22 GLN 13 2HE2 GLN 13 0.775 -5.888 -0.094
89 H MET 14 H MET 14 0.936 0.196 4.151
90 HA MET 14 HA MET 14 -1.798 0.926 4.107
91 HB2 MET 14 2HB MET 14 -0.529 0.964 6.194
92 HB3 MET 14 1HB MET 14 0.536 2.206 5.547
93 HG2 MET 14 2HG MET 14 -1.331 3.764 5.439
94 HG3 MET 14 1HG MET 14 -2.416 2.525 6.056
95 HE1 MET 14 3HE MET 14 -2.159 5.086 8.987
96 HE2 MET 14 1HE MET 14 -3.242 4.206 7.908
97 HE3 MET 14 2HE MET 14 -2.145 5.423 7.257
98 H GLU 15 H GLU 15 1.155 2.565 3.161
99 HA GLU 15 HA GLU 15 -0.348 4.799 2.259
100 HB2 GLU 15 2HB GLU 15 1.885 5.739 1.576
101 HB3 GLU 15 1HB GLU 15 1.575 5.528 3.287
102 HG2 GLU 15 2HG GLU 15 3.037 3.529 1.659
103 HG3 GLU 15 1HG GLU 15 3.854 4.919 2.404
104 H GLU 16 H GLU 16 -1.535 3.541 0.830
105 HA GLU 16 HA GLU 16 -0.316 3.157 -1.795
106 HB2 GLU 16 2HB GLU 16 -2.599 2.473 -2.468
107 HB3 GLU 16 1HB GLU 16 -1.999 1.556 -1.088
108 HG2 GLU 16 2HG GLU 16 -3.344 2.908 0.413
109 HG3 GLU 16 1HG GLU 16 -3.904 3.880 -0.940
110 H GLU 17 H GLU 17 -1.798 5.481 0.078
111 HA GLU 17 HA GLU 17 -2.249 7.300 -2.130
112 HB2 GLU 17 2HB GLU 17 -3.990 8.264 -0.708
113 HB3 GLU 17 1HB GLU 17 -4.372 6.572 -1.038
114 HG2 GLU 17 2HG GLU 17 -3.598 5.924 1.138
115 HG3 GLU 17 1HG GLU 17 -3.016 7.551 1.461
116 H ALA 18 H ALA 18 -2.373 9.342 -0.884
117 HA ALA 18 HA ALA 18 -1.182 11.165 -0.157
118 HB1 ALA 18 1HB ALA 18 -0.772 11.220 2.199
119 HB2 ALA 18 2HB ALA 18 -0.827 9.456 2.272
120 HB3 ALA 18 3HB ALA 18 -2.282 10.368 1.845
121 H VAL 19 H VAL 19 0.691 8.576 -0.931
122 HA VAL 19 HA VAL 19 3.112 10.091 -0.321
123 HB VAL 19 HB VAL 19 4.371 8.010 -0.994
124 HG11 VAL 19 1HG1 VAL 19 3.990 8.553 1.335
125 HG12 VAL 19 2HG1 VAL 19 3.820 6.807 1.111
126 HG13 VAL 19 3HG1 VAL 19 2.388 7.825 1.269
127 HG21 VAL 19 3HG2 VAL 19 3.138 5.900 -1.031
128 HG22 VAL 19 1HG2 VAL 19 2.623 6.970 -2.344
129 HG23 VAL 19 2HG2 VAL 19 1.620 6.797 -0.898
130 H ARG 20 H ARG 20 1.242 8.700 -2.814
131 HA ARG 20 HA ARG 20 2.675 9.682 -5.034
132 HB2 ARG 20 2HB ARG 20 -0.018 8.689 -4.433
133 HB3 ARG 20 1HB ARG 20 0.056 9.614 -5.903
134 HG2 ARG 20 2HG ARG 20 1.656 7.128 -5.224
135 HG3 ARG 20 1HG ARG 20 0.232 7.200 -6.261
136 HD2 ARG 20 2HD ARG 20 2.188 7.106 -7.679
137 HD3 ARG 20 1HD ARG 20 1.497 8.722 -7.787
138 HE ARG 20 HE ARG 20 3.693 8.240 -5.933
139 HH11 ARG 20 1HH1 ARG 20 2.619 9.724 -8.970
140 HH12 ARG 20 2HH1 ARG 20 3.972 10.727 -9.140
141 HH21 ARG 20 1HH2 ARG 20 5.579 9.611 -6.159
142 HH22 ARG 20 2HH2 ARG 20 5.717 10.672 -7.472
143 H CYS 21 H CYS 21 0.993 11.137 -2.616
144 HA CYS 21 HA CYS 21 0.575 13.660 -4.049
145 HB2 CYS 21 2HB CYS 21 -1.413 12.902 -2.935
146 HB3 CYS 21 1HB CYS 21 -0.519 12.579 -1.460
147 H PHE 22 H PHE 22 2.318 12.051 -1.475
148 HA PHE 22 HA PHE 22 3.061 14.147 0.160
149 HB2 PHE 22 2HB PHE 22 3.227 11.730 0.610
150 HB3 PHE 22 1HB PHE 22 4.648 11.651 -0.442
151 HD1 PHE 22 2HD PHE 22 3.226 12.706 2.660
152 HD2 PHE 22 1HD PHE 22 6.728 12.568 0.338
153 HE1 PHE 22 2HE PHE 22 4.524 13.272 4.654
154 HE2 PHE 22 1HE PHE 22 8.096 13.139 2.307
155 HZ PHE 22 HZ PHE 22 6.989 13.498 4.494
156 H ILE 23 H ILE 23 4.990 12.575 -2.353
157 HA ILE 23 HA ILE 23 7.193 14.336 -2.166
158 HB ILE 23 HB ILE 23 6.400 12.622 -4.548
159 HG12 ILE 23 2HG1 ILE 23 6.453 11.278 -2.466
160 HG13 ILE 23 1HG1 ILE 23 7.740 10.830 -3.576
161 HG21 ILE 23 1HG2 ILE 23 9.098 13.617 -3.633
162 HG22 ILE 23 2HG2 ILE 23 8.188 14.214 -5.022
163 HG23 ILE 23 3HG2 ILE 23 8.807 12.563 -5.020
164 HD11 ILE 23 3HD1 ILE 23 9.333 12.086 -2.251
165 HD12 ILE 23 1HD1 ILE 23 8.512 10.881 -1.265
166 HD13 ILE 23 2HD1 ILE 23 8.059 12.587 -1.150
167 H GLU 24 H GLU 24 4.207 14.547 -3.805
168 HA GLU 24 HA GLU 24 5.102 16.457 -5.784
169 HB2 GLU 24 2HB GLU 24 2.303 15.541 -5.158
170 HB3 GLU 24 1HB GLU 24 2.876 16.292 -6.645
171 HG2 GLU 24 2HG GLU 24 3.656 13.626 -5.569
172 HG3 GLU 24 1HG GLU 24 2.563 13.905 -6.921
173 H CYS 25 H CYS 25 3.098 16.340 -2.944
174 HA CYS 25 HA CYS 25 2.424 19.095 -2.857
175 HB2 CYS 25 2HB CYS 25 1.156 17.400 -1.638
176 HB3 CYS 25 1HB CYS 25 2.546 17.036 -0.631
177 H LEU 26 H LEU 26 5.144 17.218 -1.839
178 HA LEU 26 HA LEU 26 6.519 19.036 -0.215
179 HB2 LEU 26 2HB LEU 26 7.110 16.677 -0.442
180 HB3 LEU 26 1HB LEU 26 7.508 16.916 -2.125
181 HG LEU 26 HG LEU 26 9.419 18.339 -1.440
182 HD11 LEU 26 1HD1 LEU 26 10.144 18.329 0.875
183 HD12 LEU 26 2HD1 LEU 26 8.691 17.451 1.344
184 HD13 LEU 26 3HD1 LEU 26 8.565 19.098 0.716
185 HD21 LEU 26 3HD2 LEU 26 10.800 16.497 -0.617
186 HD22 LEU 26 1HD2 LEU 26 9.736 15.980 -1.923
187 HD23 LEU 26 2HD2 LEU 26 9.346 15.571 -0.253
188 H LYS 27 H LYS 27 6.112 18.785 -3.661
189 HA LYS 27 HA LYS 27 8.081 20.825 -4.288
190 HB2 LYS 27 2HB LYS 27 5.935 19.586 -6.034
191 HB3 LYS 27 1HB LYS 27 7.258 20.596 -6.592
192 HG2 LYS 27 2HG LYS 27 8.856 18.889 -5.927
193 HG3 LYS 27 1HG LYS 27 7.537 17.885 -5.320
194 HD2 LYS 27 2HD LYS 27 6.578 17.788 -7.575
195 HD3 LYS 27 1HD LYS 27 7.906 18.780 -8.180
196 HE2 LYS 27 2HE LYS 27 8.321 16.437 -8.656
197 HE3 LYS 27 1HE LYS 27 9.496 17.046 -7.497
198 HZ1 LYS 27 3HZ LYS 27 7.116 15.351 -6.853
199 HZ2 LYS 27 1HZ LYS 27 8.179 16.033 -5.716
200 HZ3 LYS 27 2HZ LYS 27 8.741 14.920 -6.821
201 H GLY 28 H GLY 28 4.574 20.424 -4.579
202 HA2 GLY 28 2HA GLY 28 3.410 22.321 -3.287
203 HA3 GLY 28 1HA GLY 28 4.219 23.363 -4.431
204 H ILE 29 H ILE 29 2.058 20.557 -4.310
205 HA ILE 29 HA ILE 29 0.520 21.915 -6.213
206 HB ILE 29 HB ILE 29 -0.020 19.870 -7.473
207 HG12 ILE 29 2HG1 ILE 29 1.732 17.924 -7.331
208 HG13 ILE 29 1HG1 ILE 29 1.979 18.507 -5.692
209 HG21 ILE 29 1HG2 ILE 29 1.624 21.270 -8.448
210 HG22 ILE 29 2HG2 ILE 29 1.992 19.583 -8.810
211 HG23 ILE 29 3HG2 ILE 29 2.909 20.441 -7.570
212 HD11 ILE 29 3HD1 ILE 29 -0.599 17.489 -6.877
213 HD12 ILE 29 1HD1 ILE 29 -0.434 18.141 -5.253
214 HD13 ILE 29 2HD1 ILE 29 0.413 16.657 -5.695
215 H GLY 30 H GLY 30 -1.156 22.057 -5.457
216 HA2 GLY 30 2HA GLY 30 -2.136 20.962 -3.024
217 HA3 GLY 30 1HA GLY 30 -3.133 21.832 -4.178
218 H HIS 31 H HIS 31 -4.844 20.652 -4.532
219 HA HIS 31 HA HIS 31 -4.779 17.796 -4.263
220 HB2 HIS 31 2HB HIS 31 -6.685 19.170 -3.405
221 HB3 HIS 31 1HB HIS 31 -7.111 19.554 -5.066
222 HD1 HIS 31 1HD HIS 31 -8.657 17.889 -6.237
223 HD2 HIS 31 2HD HIS 31 -6.957 16.399 -2.750
224 HE1 HIS 31 1HE HIS 31 -9.760 15.656 -5.813
225 H LYS 32 H LYS 32 -3.538 17.129 -5.913
226 HA LYS 32 HA LYS 32 -4.535 17.463 -8.656
227 HB2 LYS 32 2HB LYS 32 -2.140 17.718 -8.293
228 HB3 LYS 32 1HB LYS 32 -2.049 16.096 -7.622
229 HG2 LYS 32 2HG LYS 32 -2.686 15.161 -9.796
230 HG3 LYS 32 1HG LYS 32 -2.791 16.793 -10.455
231 HD2 LYS 32 2HD LYS 32 -0.275 15.582 -9.292
232 HD3 LYS 32 1HD LYS 32 -0.660 15.600 -11.010
233 HE2 LYS 32 2HE LYS 32 -0.358 18.066 -9.277
234 HE3 LYS 32 1HE LYS 32 0.887 17.418 -10.333
235 HZ1 LYS 32 3HZ LYS 32 -1.777 18.332 -11.260
236 HZ2 LYS 32 1HZ LYS 32 -0.503 17.811 -12.222
237 HZ3 LYS 32 2HZ LYS 32 -0.364 19.245 -11.346
238 H TYR 33 H TYR 33 -3.981 15.039 -6.242
239 HA TYR 33 HA TYR 33 -5.242 12.977 -7.911
240 HB2 TYR 33 2HB TYR 33 -3.677 12.640 -5.334
241 HB3 TYR 33 1HB TYR 33 -4.201 11.374 -6.397
242 HD1 TYR 33 2HD TYR 33 -1.906 14.279 -6.159
243 HD2 TYR 33 1HD TYR 33 -2.819 10.676 -8.235
244 HE1 TYR 33 2HE TYR 33 0.183 14.462 -7.330
245 HE2 TYR 33 1HE TYR 33 -0.683 10.825 -9.421
246 HH TYR 33 HH TYR 33 1.795 12.988 -8.496
247 HA PRO 34 HA PRO 34 -8.988 13.186 -5.412
248 HB2 PRO 34 2HB PRO 34 -9.398 10.429 -5.144
249 HB3 PRO 34 1HB PRO 34 -9.944 11.402 -6.509
250 HG2 PRO 34 2HG PRO 34 -7.501 9.720 -6.251
251 HG3 PRO 34 1HG PRO 34 -8.593 9.918 -7.634
252 HD2 PRO 34 2HD PRO 34 -6.248 11.124 -7.603
253 HD3 PRO 34 1HD PRO 34 -7.683 11.994 -8.196
254 H PHE 35 H PHE 35 -6.416 11.081 -4.472
255 HA PHE 35 HA PHE 35 -7.219 11.123 -1.657
256 HB2 PHE 35 2HB PHE 35 -5.538 9.254 -1.473
257 HB3 PHE 35 1HB PHE 35 -6.968 8.928 -2.452
258 HD1 PHE 35 2HD PHE 35 -3.382 9.709 -2.601
259 HD2 PHE 35 1HD PHE 35 -6.818 8.466 -4.732
260 HE1 PHE 35 2HE PHE 35 -1.972 9.155 -4.502
261 HE2 PHE 35 1HE PHE 35 -5.480 7.924 -6.655
262 HZ PHE 35 HZ PHE 35 -3.004 8.241 -6.585
263 H CYS 36 H CYS 36 -5.760 13.211 -3.277
264 HA CYS 36 HA CYS 36 -3.278 13.279 -1.778
265 HB2 CYS 36 2HB CYS 36 -3.022 13.813 -4.076
266 HB3 CYS 36 1HB CYS 36 -4.253 15.060 -4.059
267 H HIS 37 H HIS 37 -3.733 13.693 0.179
268 HA HIS 37 HA HIS 37 -5.726 15.688 0.834
269 HB2 HIS 37 2HB HIS 37 -4.419 13.589 2.572
270 HB3 HIS 37 1HB HIS 37 -5.737 14.651 3.064
271 HD1 HIS 37 1HD HIS 37 -5.404 11.268 2.220
272 HD2 HIS 37 2HD HIS 37 -7.887 14.293 0.818
273 HE1 HIS 37 1HE HIS 37 -7.320 10.116 1.112
274 H CYS 38 H CYS 38 -2.819 16.160 0.056
275 HA CYS 38 HA CYS 38 -1.940 17.561 2.471
276 HB2 CYS 38 2HB CYS 38 -0.326 15.944 1.454
277 HB3 CYS 38 1HB CYS 38 -0.370 16.881 -0.028
278 H ARG 39 H ARG 39 -1.410 19.759 2.315
279 HA ARG 39 HA ARG 39 -1.799 21.167 -0.128
280 HB2 ARG 39 2HB ARG 39 -3.561 22.690 0.679
281 HB3 ARG 39 1HB ARG 39 -4.127 21.046 0.474
282 HG2 ARG 39 2HG ARG 39 -3.343 22.164 3.163
283 HG3 ARG 39 1HG ARG 39 -4.974 22.329 2.518
284 HD2 ARG 39 2HD ARG 39 -5.125 19.863 2.386
285 HD3 ARG 39 1HD ARG 39 -3.510 19.745 3.082
286 HE ARG 39 HE ARG 39 -4.863 21.255 4.858
287 HH11 ARG 39 1HH1 ARG 39 -5.449 18.013 3.473
288 HH12 ARG 39 2HH1 ARG 39 -6.350 17.477 4.810
289 HH21 ARG 39 1HH2 ARG 39 -6.085 20.419 6.717
290 HH22 ARG 39 2HH2 ARG 39 -6.702 18.822 6.650
Start of MODEL 4
1 H1 HIS 1 H HIS 1 10.380 -12.322 -3.794
2 HA HIS 1 HA HIS 1 10.735 -10.854 -1.441
3 HB2 HIS 1 2HB HIS 1 12.958 -12.763 -2.245
4 HB3 HIS 1 1HB HIS 1 13.103 -11.481 -1.056
5 HD1 HIS 1 1HD HIS 1 12.281 -15.019 -1.363
6 HD2 HIS 1 2HD HIS 1 11.427 -11.936 1.287
7 HE1 HIS 1 1HE HIS 1 11.498 -16.130 0.758
8 H GLY 2 H GLY 2 12.861 -9.500 -1.884
9 HA2 GLY 2 2HA GLY 2 14.289 -8.579 -3.553
10 HA3 GLY 2 1HA GLY 2 13.100 -9.044 -4.764
11 H GLU 3 H GLU 3 14.175 -6.483 -4.565
12 HA GLU 3 HA GLU 3 11.760 -4.944 -4.250
13 HB2 GLU 3 2HB GLU 3 12.944 -4.814 -2.028
14 HB3 GLU 3 1HB GLU 3 14.357 -4.194 -2.861
15 HG2 GLU 3 2HG GLU 3 13.045 -2.238 -3.588
16 HG3 GLU 3 1HG GLU 3 11.663 -2.857 -2.690
17 H GLY 4 H GLY 4 11.998 -2.949 -5.461
18 HA2 GLY 4 2HA GLY 4 13.731 -1.602 -6.698
19 HA3 GLY 4 1HA GLY 4 14.177 -3.140 -7.431
20 H THR 5 H THR 5 11.051 -3.584 -7.117
21 HA THR 5 HA THR 5 10.486 -2.496 -9.739
22 HB THR 5 HB THR 5 8.462 -4.087 -9.389
23 HG1 THR 5 1HG THR 5 9.464 -5.855 -7.918
24 HG21 THR 5 3HG2 THR 5 11.266 -5.179 -9.580
25 HG22 THR 5 1HG2 THR 5 10.328 -4.531 -10.926
26 HG23 THR 5 2HG2 THR 5 9.801 -6.007 -10.108
27 H PHE 6 H PHE 6 9.627 -0.504 -9.571
28 HA PHE 6 HA PHE 6 7.552 -0.045 -7.559
29 HB2 PHE 6 2HB PHE 6 9.385 1.988 -8.845
30 HB3 PHE 6 1HB PHE 6 8.190 2.308 -7.597
31 HD1 PHE 6 1HD PHE 6 8.530 1.128 -5.328
32 HD2 PHE 6 2HD PHE 6 11.566 1.474 -8.279
33 HE1 PHE 6 1HE PHE 6 10.257 0.723 -3.614
34 HE2 PHE 6 2HE PHE 6 13.281 1.075 -6.566
35 HZ PHE 6 HZ PHE 6 12.620 0.698 -4.232
36 H THR 7 H THR 7 5.576 0.273 -8.437
37 HA THR 7 HA THR 7 5.493 1.374 -11.133
38 HB THR 7 HB THR 7 3.394 -0.157 -11.422
39 HG1 THR 7 1HG THR 7 4.887 -1.772 -9.647
40 HG21 THR 7 3HG2 THR 7 6.187 -1.302 -11.557
41 HG22 THR 7 1HG2 THR 7 5.401 -0.336 -12.806
42 HG23 THR 7 2HG2 THR 7 4.774 -1.936 -12.405
43 H SER 8 H SER 8 4.624 3.321 -10.867
44 HA SER 8 HA SER 8 2.691 3.761 -8.807
45 HB2 SER 8 2HB SER 8 3.933 5.630 -10.823
46 HB3 SER 8 1HB SER 8 2.871 6.124 -9.497
47 HG SER 8 HG SER 8 4.366 4.996 -8.122
48 H ASP 9 H ASP 9 0.968 2.679 -9.362
49 HA ASP 9 HA ASP 9 -1.130 2.381 -10.118
50 HB2 ASP 9 2HB ASP 9 -1.324 4.862 -10.030
51 HB3 ASP 9 1HB ASP 9 -0.731 4.951 -11.678
52 H LEU 10 H LEU 10 1.466 2.103 -11.911
53 HA LEU 10 HA LEU 10 0.405 1.452 -14.476
54 HB2 LEU 10 2HB LEU 10 2.810 2.106 -13.928
55 HB3 LEU 10 1HB LEU 10 3.020 0.516 -13.251
56 HG LEU 10 HG LEU 10 2.352 0.983 -16.167
57 HD11 LEU 10 1HD1 LEU 10 4.733 0.642 -16.600
58 HD12 LEU 10 2HD1 LEU 10 5.044 0.596 -14.865
59 HD13 LEU 10 3HD1 LEU 10 4.458 2.079 -15.618
60 HD21 LEU 10 3HD2 LEU 10 3.231 -1.278 -16.464
61 HD22 LEU 10 1HD2 LEU 10 1.891 -1.287 -15.318
62 HD23 LEU 10 2HD2 LEU 10 3.552 -1.395 -14.734
63 H SER 11 H SER 11 1.312 -0.466 -11.592
64 HA SER 11 HA SER 11 0.171 -2.860 -12.752
65 HB2 SER 11 2HB SER 11 0.785 -3.775 -10.495
66 HB3 SER 11 1HB SER 11 2.151 -3.049 -11.356
67 HG SER 11 HG SER 11 2.383 -1.819 -9.694
68 H LYS 12 H LYS 12 -0.652 -0.151 -11.009
69 HA LYS 12 HA LYS 12 -2.357 0.718 -9.879
70 HB2 LYS 12 2HB LYS 12 -3.312 -0.003 -12.156
71 HB3 LYS 12 1HB LYS 12 -4.181 -1.226 -11.233
72 HG2 LYS 12 2HG LYS 12 -5.220 0.491 -9.890
73 HG3 LYS 12 1HG LYS 12 -4.305 1.734 -10.746
74 HD2 LYS 12 2HD LYS 12 -5.324 0.926 -12.833
75 HD3 LYS 12 1HD LYS 12 -6.358 -0.120 -11.851
76 HE2 LYS 12 2HE LYS 12 -7.562 1.931 -12.382
77 HE3 LYS 12 1HE LYS 12 -7.201 1.868 -10.657
78 HZ1 LYS 12 3HZ LYS 12 -5.780 3.472 -12.719
79 HZ2 LYS 12 1HZ LYS 12 -5.245 3.349 -11.130
80 HZ3 LYS 12 2HZ LYS 12 -6.723 4.064 -11.468
81 H GLN 13 H GLN 13 -1.109 -1.680 -8.871
82 HA GLN 13 HA GLN 13 -2.997 -2.300 -6.710
83 HB2 GLN 13 2HB GLN 13 -1.383 -4.304 -8.280
84 HB3 GLN 13 1HB GLN 13 -2.099 -4.656 -6.717
85 HG2 GLN 13 2HG GLN 13 -3.680 -3.755 -9.102
86 HG3 GLN 13 1HG GLN 13 -3.411 -5.449 -8.699
87 HE21 GLN 13 1HE2 GLN 13 -5.033 -2.519 -7.814
88 HE22 GLN 13 2HE2 GLN 13 -6.103 -3.248 -6.668
89 H MET 14 H MET 14 0.384 -2.756 -7.807
90 HA MET 14 HA MET 14 1.191 -2.589 -5.059
91 HB2 MET 14 2HB MET 14 2.287 -4.269 -6.462
92 HB3 MET 14 1HB MET 14 2.884 -3.005 -7.529
93 HG2 MET 14 2HG MET 14 4.193 -2.065 -5.695
94 HG3 MET 14 1HG MET 14 3.596 -3.322 -4.621
95 HE1 MET 14 3HE MET 14 3.643 -5.903 -6.491
96 HE2 MET 14 1HE MET 14 4.205 -5.854 -4.816
97 HE3 MET 14 2HE MET 14 5.236 -6.529 -6.074
98 H GLU 15 H GLU 15 0.401 -0.521 -4.810
99 HA GLU 15 HA GLU 15 2.462 1.396 -4.834
100 HB2 GLU 15 2HB GLU 15 1.545 1.755 -7.146
101 HB3 GLU 15 1HB GLU 15 -0.051 1.999 -6.455
102 HG2 GLU 15 2HG GLU 15 1.051 4.108 -7.074
103 HG3 GLU 15 1HG GLU 15 0.688 4.015 -5.353
104 H GLU 16 H GLU 16 1.908 3.039 -3.333
105 HA GLU 16 HA GLU 16 -0.372 2.277 -1.651
106 HB2 GLU 16 2HB GLU 16 1.819 1.773 -0.679
107 HB3 GLU 16 1HB GLU 16 2.334 3.425 -0.940
108 HG2 GLU 16 2HG GLU 16 1.809 2.922 1.365
109 HG3 GLU 16 1HG GLU 16 0.799 4.215 0.720
110 H GLU 17 H GLU 17 -1.372 4.168 -0.438
111 HA GLU 17 HA GLU 17 -1.344 6.484 -2.124
112 HB2 GLU 17 2HB GLU 17 -3.182 5.607 0.132
113 HB3 GLU 17 1HB GLU 17 -3.301 7.148 -0.677
114 HG2 GLU 17 2HG GLU 17 -4.992 5.745 -1.544
115 HG3 GLU 17 1HG GLU 17 -3.773 5.938 -2.794
116 H ALA 18 H ALA 18 -1.996 8.195 -0.343
117 HA ALA 18 HA ALA 18 -0.980 10.008 0.661
118 HB1 ALA 18 1HB ALA 18 -0.271 9.631 2.938
119 HB2 ALA 18 2HB ALA 18 -0.079 7.908 2.623
120 HB3 ALA 18 3HB ALA 18 -1.684 8.637 2.578
121 H VAL 19 H VAL 19 1.062 7.879 -0.831
122 HA VAL 19 HA VAL 19 3.339 9.584 -0.251
123 HB VAL 19 HB VAL 19 3.750 7.152 0.031
124 HG11 VAL 19 1HG1 VAL 19 3.204 6.954 -2.905
125 HG12 VAL 19 2HG1 VAL 19 2.228 6.266 -1.601
126 HG13 VAL 19 3HG1 VAL 19 3.869 5.666 -1.894
127 HG21 VAL 19 3HG2 VAL 19 5.598 8.587 -0.544
128 HG22 VAL 19 1HG2 VAL 19 5.245 8.379 -2.260
129 HG23 VAL 19 2HG2 VAL 19 5.795 6.998 -1.300
130 H ARG 20 H ARG 20 1.167 8.466 -2.693
131 HA ARG 20 HA ARG 20 2.322 9.585 -4.994
132 HB2 ARG 20 2HB ARG 20 -0.550 9.014 -4.281
133 HB3 ARG 20 1HB ARG 20 -0.062 9.469 -5.890
134 HG2 ARG 20 2HG ARG 20 0.722 6.967 -4.391
135 HG3 ARG 20 1HG ARG 20 -0.399 7.095 -5.747
136 HD2 ARG 20 2HD ARG 20 2.541 7.745 -5.863
137 HD3 ARG 20 1HD ARG 20 1.825 6.232 -6.402
138 HE ARG 20 HE ARG 20 0.481 7.847 -7.935
139 HH11 ARG 20 1HH1 ARG 20 3.925 8.093 -7.113
140 HH12 ARG 20 2HH1 ARG 20 4.311 8.940 -8.546
141 HH21 ARG 20 1HH2 ARG 20 1.076 8.919 -9.894
142 HH22 ARG 20 2HH2 ARG 20 2.690 9.423 -10.137
143 H CYS 21 H CYS 21 0.718 10.969 -2.384
144 HA CYS 21 HA CYS 21 0.351 13.535 -3.762
145 HB2 CYS 21 2HB CYS 21 -1.668 12.794 -2.684
146 HB3 CYS 21 1HB CYS 21 -0.815 12.457 -1.186
147 H PHE 22 H PHE 22 2.215 11.831 -1.467
148 HA PHE 22 HA PHE 22 2.922 13.822 0.371
149 HB2 PHE 22 2HB PHE 22 3.136 11.363 0.654
150 HB3 PHE 22 1HB PHE 22 4.482 11.381 -0.478
151 HD1 PHE 22 1HD PHE 22 6.603 12.338 0.196
152 HD2 PHE 22 2HD PHE 22 3.328 12.078 2.846
153 HE1 PHE 22 1HE PHE 22 8.137 12.732 2.091
154 HE2 PHE 22 2HE PHE 22 4.824 12.473 4.767
155 HZ PHE 22 HZ PHE 22 7.241 12.802 4.387
156 H ILE 23 H ILE 23 4.878 12.375 -2.205
157 HA ILE 23 HA ILE 23 7.021 14.163 -2.026
158 HB ILE 23 HB ILE 23 6.105 12.509 -4.395
159 HG12 ILE 23 2HG1 ILE 23 6.460 11.146 -2.384
160 HG13 ILE 23 1HG1 ILE 23 7.679 10.807 -3.601
161 HG21 ILE 23 1HG2 ILE 23 8.440 12.599 -5.146
162 HG22 ILE 23 2HG2 ILE 23 8.810 13.701 -3.818
163 HG23 ILE 23 3HG2 ILE 23 7.699 14.200 -5.093
164 HD11 ILE 23 3HD1 ILE 23 9.291 12.157 -2.372
165 HD12 ILE 23 1HD1 ILE 23 8.633 10.877 -1.358
166 HD13 ILE 23 2HD1 ILE 23 8.076 12.541 -1.161
167 H GLU 24 H GLU 24 4.126 14.196 -3.944
168 HA GLU 24 HA GLU 24 4.761 16.326 -5.666
169 HB2 GLU 24 2HB GLU 24 2.019 15.501 -4.735
170 HB3 GLU 24 1HB GLU 24 2.458 16.358 -6.214
171 HG2 GLU 24 2HG GLU 24 3.164 13.577 -5.484
172 HG3 GLU 24 1HG GLU 24 1.926 14.053 -6.631
173 H CYS 25 H CYS 25 3.020 16.138 -2.637
174 HA CYS 25 HA CYS 25 2.349 18.882 -2.517
175 HB2 CYS 25 2HB CYS 25 1.159 17.153 -1.206
176 HB3 CYS 25 1HB CYS 25 2.576 16.961 -0.184
177 H LEU 26 H LEU 26 5.189 17.110 -1.421
178 HA LEU 26 HA LEU 26 6.308 19.262 0.039
179 HB2 LEU 26 2HB LEU 26 7.421 16.732 -1.079
180 HB3 LEU 26 1HB LEU 26 8.551 17.992 -0.643
181 HG LEU 26 HG LEU 26 8.387 16.397 1.145
182 HD11 LEU 26 1HD1 LEU 26 7.017 18.950 1.916
183 HD12 LEU 26 2HD1 LEU 26 8.750 18.698 1.747
184 HD13 LEU 26 3HD1 LEU 26 7.856 17.843 2.999
185 HD21 LEU 26 3HD2 LEU 26 6.176 15.483 0.753
186 HD22 LEU 26 1HD2 LEU 26 5.439 17.016 1.214
187 HD23 LEU 26 2HD2 LEU 26 6.306 16.058 2.416
188 H LYS 27 H LYS 27 6.025 18.698 -3.269
189 HA LYS 27 HA LYS 27 7.994 20.736 -3.907
190 HB2 LYS 27 2HB LYS 27 6.218 19.025 -5.665
191 HB3 LYS 27 1HB LYS 27 7.376 20.202 -6.277
192 HG2 LYS 27 2HG LYS 27 9.217 18.968 -5.310
193 HG3 LYS 27 1HG LYS 27 8.098 17.843 -4.555
194 HD2 LYS 27 2HD LYS 27 8.336 18.225 -7.535
195 HD3 LYS 27 1HD LYS 27 9.210 16.985 -6.638
196 HE2 LYS 27 2HE LYS 27 7.002 16.131 -5.835
197 HE3 LYS 27 1HE LYS 27 6.228 17.297 -6.903
198 HZ1 LYS 27 3HZ LYS 27 7.157 16.195 -8.800
199 HZ2 LYS 27 1HZ LYS 27 6.369 15.074 -7.824
200 HZ3 LYS 27 2HZ LYS 27 8.049 15.128 -7.828
201 H GLY 28 H GLY 28 4.544 20.126 -4.488
202 HA2 GLY 28 2HA GLY 28 3.206 22.088 -3.494
203 HA3 GLY 28 1HA GLY 28 4.102 23.032 -4.673
204 H ILE 29 H ILE 29 1.427 20.965 -4.132
205 HA ILE 29 HA ILE 29 0.690 21.367 -6.813
206 HB ILE 29 HB ILE 29 -0.148 19.086 -7.114
207 HG12 ILE 29 2HG1 ILE 29 0.870 17.246 -5.512
208 HG13 ILE 29 1HG1 ILE 29 0.913 18.564 -4.350
209 HG21 ILE 29 1HG2 ILE 29 2.776 18.972 -6.462
210 HG22 ILE 29 2HG2 ILE 29 2.066 19.560 -7.956
211 HG23 ILE 29 3HG2 ILE 29 1.894 17.862 -7.516
212 HD11 ILE 29 3HD1 ILE 29 -1.066 17.186 -4.096
213 HD12 ILE 29 1HD1 ILE 29 -1.531 17.513 -5.765
214 HD13 ILE 29 2HD1 ILE 29 -1.501 18.821 -4.580
215 H GLY 30 H GLY 30 -1.012 22.174 -6.704
216 HA2 GLY 30 2HA GLY 30 -2.842 21.949 -4.407
217 HA3 GLY 30 1HA GLY 30 -3.051 23.082 -5.739
218 H HIS 31 H HIS 31 -4.044 20.133 -4.400
219 HA HIS 31 HA HIS 31 -5.407 18.458 -4.980
220 HB2 HIS 31 2HB HIS 31 -6.545 20.794 -6.391
221 HB3 HIS 31 1HB HIS 31 -7.349 19.225 -6.525
222 HD1 HIS 31 1HD HIS 31 -6.581 21.999 -4.096
223 HD2 HIS 31 2HD HIS 31 -8.717 18.446 -4.275
224 HE1 HIS 31 1HE HIS 31 -7.985 21.935 -2.019
225 H LYS 32 H LYS 32 -4.019 17.028 -6.027
226 HA LYS 32 HA LYS 32 -4.539 16.950 -8.907
227 HB2 LYS 32 2HB LYS 32 -1.882 16.443 -7.592
228 HB3 LYS 32 1HB LYS 32 -2.234 15.938 -9.234
229 HG2 LYS 32 2HG LYS 32 -2.217 18.752 -8.175
230 HG3 LYS 32 1HG LYS 32 -1.019 18.011 -9.247
231 HD2 LYS 32 2HD LYS 32 -2.802 17.703 -10.967
232 HD3 LYS 32 1HD LYS 32 -3.940 18.512 -9.900
233 HE2 LYS 32 2HE LYS 32 -1.495 19.737 -11.168
234 HE3 LYS 32 1HE LYS 32 -3.172 20.019 -11.614
235 HZ1 LYS 32 3HZ LYS 32 -2.461 21.836 -10.284
236 HZ2 LYS 32 1HZ LYS 32 -1.809 20.818 -9.119
237 HZ3 LYS 32 2HZ LYS 32 -3.481 20.927 -9.305
238 H TYR 33 H TYR 33 -5.000 15.282 -6.107
239 HA TYR 33 HA TYR 33 -5.619 12.887 -7.599
240 HB2 TYR 33 2HB TYR 33 -3.932 12.681 -5.051
241 HB3 TYR 33 1HB TYR 33 -4.561 11.370 -5.994
242 HD1 TYR 33 1HD TYR 33 -2.006 14.092 -6.031
243 HD2 TYR 33 2HD TYR 33 -3.438 10.531 -7.915
244 HE1 TYR 33 1HE TYR 33 0.030 13.967 -7.335
245 HE2 TYR 33 2HE TYR 33 -1.388 10.411 -9.227
246 HH TYR 33 HH TYR 33 1.366 12.060 -8.541
247 HA PRO 34 HA PRO 34 -9.377 13.086 -5.256
248 HB2 PRO 34 2HB PRO 34 -8.969 10.223 -4.591
249 HB3 PRO 34 1HB PRO 34 -10.353 10.995 -5.356
250 HG2 PRO 34 2HG PRO 34 -8.579 9.497 -6.715
251 HG3 PRO 34 1HG PRO 34 -9.436 10.855 -7.442
252 HD2 PRO 34 2HD PRO 34 -6.605 10.606 -6.676
253 HD3 PRO 34 1HD PRO 34 -7.364 11.693 -7.851
254 H PHE 35 H PHE 35 -6.971 11.015 -3.868
255 HA PHE 35 HA PHE 35 -7.839 11.455 -1.154
256 HB2 PHE 35 2HB PHE 35 -6.140 9.648 -0.712
257 HB3 PHE 35 1HB PHE 35 -7.484 9.208 -1.763
258 HD1 PHE 35 1HD PHE 35 -7.143 8.824 -4.158
259 HD2 PHE 35 2HD PHE 35 -3.907 9.812 -1.575
260 HE1 PHE 35 1HE PHE 35 -5.586 8.116 -5.868
261 HE2 PHE 35 2HE PHE 35 -2.321 9.102 -3.284
262 HZ PHE 35 HZ PHE 35 -3.147 8.243 -5.465
263 H CYS 36 H CYS 36 -6.159 13.349 -2.971
264 HA CYS 36 HA CYS 36 -3.793 13.578 -1.268
265 HB2 CYS 36 2HB CYS 36 -3.315 13.577 -3.594
266 HB3 CYS 36 1HB CYS 36 -4.438 14.914 -3.898
267 H HIS 37 H HIS 37 -4.047 14.648 0.441
268 HA HIS 37 HA HIS 37 -5.497 17.159 0.258
269 HB2 HIS 37 2HB HIS 37 -5.042 15.425 2.704
270 HB3 HIS 37 1HB HIS 37 -5.805 17.008 2.726
271 HD1 HIS 37 1HD HIS 37 -8.324 17.030 2.377
272 HD2 HIS 37 2HD HIS 37 -6.570 13.420 1.313
273 HE1 HIS 37 1HE HIS 37 -10.229 15.443 1.885
274 H CYS 38 H CYS 38 -3.537 17.916 -0.682
275 HA CYS 38 HA CYS 38 -1.134 18.067 0.833
276 HB2 CYS 38 2HB CYS 38 -1.150 18.307 -1.636
277 HB3 CYS 38 1HB CYS 38 -2.063 19.809 -1.491
278 H ARG 39 H ARG 39 -0.273 20.427 1.351
279 HA ARG 39 HA ARG 39 -2.387 22.023 2.547
280 HB2 ARG 39 2HB ARG 39 -1.477 21.844 4.787
281 HB3 ARG 39 1HB ARG 39 -1.912 20.265 4.138
282 HG2 ARG 39 2HG ARG 39 0.513 19.949 3.534
283 HG3 ARG 39 1HG ARG 39 0.859 21.407 4.455
284 HD2 ARG 39 2HD ARG 39 -0.371 18.864 5.521
285 HD3 ARG 39 1HD ARG 39 1.278 19.421 5.779
286 HE ARG 39 HE ARG 39 -0.463 21.392 6.674
287 HH11 ARG 39 1HH1 ARG 39 0.640 18.146 7.561
288 HH12 ARG 39 2HH1 ARG 39 0.210 18.264 9.191
289 HH21 ARG 39 1HH2 ARG 39 -1.031 21.606 8.946
290 HH22 ARG 39 2HH2 ARG 39 -0.764 20.293 10.002
Start of MODEL 5
1 H1 HIS 1 H HIS 1 16.711 17.075 5.055
2 HA HIS 1 HA HIS 1 15.595 19.178 3.545
3 HB2 HIS 1 2HB HIS 1 17.940 19.337 2.531
4 HB3 HIS 1 1HB HIS 1 17.813 19.579 4.260
5 HD1 HIS 1 1HD HIS 1 19.172 18.013 5.745
6 HD2 HIS 1 2HD HIS 1 19.172 16.917 1.740
7 HE1 HIS 1 1HE HIS 1 20.939 16.236 5.516
8 H GLY 2 H GLY 2 14.871 16.301 3.065
9 HA2 GLY 2 2HA GLY 2 13.600 16.027 0.940
10 HA3 GLY 2 1HA GLY 2 15.099 16.449 0.123
11 H GLU 3 H GLU 3 13.867 14.216 -0.610
12 HA GLU 3 HA GLU 3 15.753 12.162 0.198
13 HB2 GLU 3 2HB GLU 3 13.793 11.703 1.602
14 HB3 GLU 3 1HB GLU 3 12.732 11.821 0.214
15 HG2 GLU 3 2HG GLU 3 13.059 9.503 0.894
16 HG3 GLU 3 1HG GLU 3 13.698 9.788 -0.720
17 H GLY 4 H GLY 4 16.484 11.112 -1.570
18 HA2 GLY 4 2HA GLY 4 15.045 11.595 -4.101
19 HA3 GLY 4 1HA GLY 4 16.800 11.552 -3.972
20 H THR 5 H THR 5 15.588 9.305 -1.913
21 HA THR 5 HA THR 5 16.074 7.140 -3.815
22 HB THR 5 HB THR 5 15.673 6.928 -0.836
23 HG1 THR 5 1HG THR 5 17.209 8.353 -0.951
24 HG21 THR 5 3HG2 THR 5 17.153 4.972 -1.090
25 HG22 THR 5 1HG2 THR 5 17.296 5.304 -2.816
26 HG23 THR 5 2HG2 THR 5 15.739 4.835 -2.134
27 H PHE 6 H PHE 6 14.177 6.530 -4.791
28 HA PHE 6 HA PHE 6 11.746 6.498 -3.141
29 HB2 PHE 6 2HB PHE 6 11.923 6.765 -6.155
30 HB3 PHE 6 1HB PHE 6 10.471 6.892 -5.169
31 HD1 PHE 6 1HD PHE 6 10.295 8.825 -3.543
32 HD2 PHE 6 2HD PHE 6 13.256 8.638 -6.590
33 HE1 PHE 6 1HE PHE 6 10.668 11.245 -3.336
34 HE2 PHE 6 2HE PHE 6 13.625 11.059 -6.389
35 HZ PHE 6 HZ PHE 6 12.327 12.366 -4.755
36 H THR 7 H THR 7 11.531 4.421 -2.497
37 HA THR 7 HA THR 7 11.624 2.435 -4.596
38 HB THR 7 HB THR 7 13.757 2.207 -3.499
39 HG1 THR 7 1HG THR 7 13.446 0.051 -2.495
40 HG21 THR 7 3HG2 THR 7 14.002 1.749 -1.103
41 HG22 THR 7 1HG2 THR 7 12.259 1.936 -0.888
42 HG23 THR 7 2HG2 THR 7 13.241 3.315 -1.380
43 H SER 8 H SER 8 10.095 0.841 -4.451
44 HA SER 8 HA SER 8 8.123 1.169 -2.301
45 HB2 SER 8 2HB SER 8 7.678 0.072 -5.091
46 HB3 SER 8 1HB SER 8 6.448 0.441 -3.884
47 HG SER 8 HG SER 8 7.764 2.622 -4.092
48 H ASP 9 H ASP 9 7.218 -0.732 -1.469
49 HA ASP 9 HA ASP 9 7.055 -2.864 -0.752
50 HB2 ASP 9 2HB ASP 9 6.917 -3.468 -3.201
51 HB3 ASP 9 1HB ASP 9 8.658 -3.682 -3.200
52 H LEU 10 H LEU 10 9.436 -1.064 -0.494
53 HA LEU 10 HA LEU 10 11.568 -2.855 0.319
54 HB2 LEU 10 2HB LEU 10 11.888 -0.570 -0.777
55 HB3 LEU 10 1HB LEU 10 11.306 0.145 0.700
56 HG LEU 10 HG LEU 10 13.746 0.293 0.422
57 HD11 LEU 10 1HD1 LEU 10 12.885 0.399 2.651
58 HD12 LEU 10 2HD1 LEU 10 14.426 -0.464 2.629
59 HD13 LEU 10 3HD1 LEU 10 12.913 -1.361 2.778
60 HD21 LEU 10 3HD2 LEU 10 13.707 -2.702 0.677
61 HD22 LEU 10 1HD2 LEU 10 15.141 -1.676 0.660
62 HD23 LEU 10 2HD2 LEU 10 14.113 -1.776 -0.769
63 H SER 11 H SER 11 9.251 -0.628 1.726
64 HA SER 11 HA SER 11 9.770 -1.547 4.423
65 HB2 SER 11 2HB SER 11 9.168 0.859 3.693
66 HB3 SER 11 1HB SER 11 7.532 0.260 3.447
67 HG SER 11 HG SER 11 9.056 0.361 5.797
68 H LYS 12 H LYS 12 7.990 -2.279 1.720
69 HA LYS 12 HA LYS 12 6.404 -3.624 1.079
70 HB2 LYS 12 2HB LYS 12 8.128 -5.173 2.032
71 HB3 LYS 12 1HB LYS 12 7.010 -5.379 3.390
72 HG2 LYS 12 2HG LYS 12 5.284 -6.158 1.903
73 HG3 LYS 12 1HG LYS 12 6.329 -5.893 0.509
74 HD2 LYS 12 2HD LYS 12 7.916 -7.490 1.540
75 HD3 LYS 12 1HD LYS 12 6.653 -7.862 2.727
76 HE2 LYS 12 2HE LYS 12 6.537 -9.498 0.932
77 HE3 LYS 12 1HE LYS 12 5.128 -8.443 0.857
78 HZ1 LYS 12 3HZ LYS 12 6.013 -8.748 -1.341
79 HZ2 LYS 12 1HZ LYS 12 7.547 -8.291 -0.845
80 HZ3 LYS 12 2HZ LYS 12 6.338 -7.142 -0.907
81 H GLN 13 H GLN 13 5.138 -1.878 1.824
82 HA GLN 13 HA GLN 13 2.825 -2.993 3.210
83 HB2 GLN 13 2HB GLN 13 2.412 -0.856 4.299
84 HB3 GLN 13 1HB GLN 13 4.062 -1.392 4.623
85 HG2 GLN 13 2HG GLN 13 4.914 0.153 2.970
86 HG3 GLN 13 1HG GLN 13 3.272 0.689 2.614
87 HE21 GLN 13 1HE2 GLN 13 3.672 2.783 3.219
88 HE22 GLN 13 2HE2 GLN 13 3.894 3.243 4.869
89 H MET 14 H MET 14 0.821 -1.568 2.481
90 HA MET 14 HA MET 14 0.991 -1.445 -0.374
91 HB2 MET 14 2HB MET 14 -1.317 -0.871 1.499
92 HB3 MET 14 1HB MET 14 -1.430 -0.617 -0.231
93 HG2 MET 14 2HG MET 14 -2.419 -2.723 0.258
94 HG3 MET 14 1HG MET 14 -0.895 -3.024 -0.563
95 HE1 MET 14 3HE MET 14 -2.951 -3.314 2.731
96 HE2 MET 14 1HE MET 14 -1.726 -2.142 3.217
97 HE3 MET 14 2HE MET 14 -1.726 -3.757 3.921
98 H GLU 15 H GLU 15 2.170 0.084 -1.128
99 HA GLU 15 HA GLU 15 2.000 2.771 -0.029
100 HB2 GLU 15 2HB GLU 15 3.930 1.516 -1.971
101 HB3 GLU 15 1HB GLU 15 4.046 3.160 -1.363
102 HG2 GLU 15 2HG GLU 15 4.385 2.389 0.865
103 HG3 GLU 15 1HG GLU 15 4.036 0.731 0.392
104 H GLU 16 H GLU 16 0.228 3.685 -0.868
105 HA GLU 16 HA GLU 16 0.250 4.146 -3.726
106 HB2 GLU 16 2HB GLU 16 -1.265 2.255 -3.302
107 HB3 GLU 16 1HB GLU 16 -2.138 3.214 -2.129
108 HG2 GLU 16 2HG GLU 16 -2.957 4.668 -3.817
109 HG3 GLU 16 1HG GLU 16 -1.901 3.921 -5.021
110 H GLU 17 H GLU 17 -2.024 4.889 -1.033
111 HA GLU 17 HA GLU 17 -1.922 7.553 -1.889
112 HB2 GLU 17 2HB GLU 17 -3.828 7.821 -0.301
113 HB3 GLU 17 1HB GLU 17 -4.125 6.636 -1.549
114 HG2 GLU 17 2HG GLU 17 -3.608 4.849 0.083
115 HG3 GLU 17 1HG GLU 17 -3.454 6.087 1.333
116 H ALA 18 H ALA 18 -1.542 8.982 -0.557
117 HA ALA 18 HA ALA 18 -0.228 10.320 0.801
118 HB1 ALA 18 1HB ALA 18 -1.313 9.187 2.663
119 HB2 ALA 18 2HB ALA 18 0.373 9.563 3.050
120 HB3 ALA 18 3HB ALA 18 -0.097 7.911 2.609
121 H VAL 19 H VAL 19 0.805 7.908 -0.910
122 HA VAL 19 HA VAL 19 3.625 8.542 -0.453
123 HB VAL 19 HB VAL 19 2.411 6.318 -2.140
124 HG11 VAL 19 1HG1 VAL 19 5.270 6.846 -1.346
125 HG12 VAL 19 2HG1 VAL 19 4.581 7.057 -2.956
126 HG13 VAL 19 3HG1 VAL 19 4.701 5.440 -2.252
127 HG21 VAL 19 3HG2 VAL 19 2.021 5.947 0.242
128 HG22 VAL 19 1HG2 VAL 19 3.737 6.178 0.567
129 HG23 VAL 19 2HG2 VAL 19 3.199 4.791 -0.381
130 H ARG 20 H ARG 20 1.232 8.020 -2.982
131 HA ARG 20 HA ARG 20 2.536 9.195 -5.140
132 HB2 ARG 20 2HB ARG 20 -0.361 8.866 -4.495
133 HB3 ARG 20 1HB ARG 20 0.129 9.433 -6.058
134 HG2 ARG 20 2HG ARG 20 0.688 6.759 -4.782
135 HG3 ARG 20 1HG ARG 20 -0.354 7.095 -6.162
136 HD2 ARG 20 2HD ARG 20 1.596 7.709 -7.501
137 HD3 ARG 20 1HD ARG 20 2.649 7.449 -6.110
138 HE ARG 20 HE ARG 20 1.047 5.183 -6.773
139 HH11 ARG 20 1HH1 ARG 20 4.130 6.798 -7.498
140 HH12 ARG 20 2HH1 ARG 20 4.877 5.348 -8.019
141 HH21 ARG 20 1HH2 ARG 20 2.127 3.255 -7.480
142 HH22 ARG 20 2HH2 ARG 20 3.746 3.335 -8.012
143 H CYS 21 H CYS 21 0.877 10.710 -2.536
144 HA CYS 21 HA CYS 21 0.764 13.289 -3.917
145 HB2 CYS 21 2HB CYS 21 -1.321 12.720 -2.913
146 HB3 CYS 21 1HB CYS 21 -0.504 12.177 -1.454
147 H PHE 22 H PHE 22 2.600 11.517 -1.670
148 HA PHE 22 HA PHE 22 3.202 13.438 0.278
149 HB2 PHE 22 2HB PHE 22 3.534 10.951 0.383
150 HB3 PHE 22 1HB PHE 22 4.941 11.146 -0.633
151 HD1 PHE 22 2HD PHE 22 6.864 12.602 0.286
152 HD2 PHE 22 1HD PHE 22 3.630 11.169 2.619
153 HE1 PHE 22 2HE PHE 22 8.198 12.946 2.308
154 HE2 PHE 22 1HE PHE 22 4.952 11.493 4.668
155 HZ PHE 22 HZ PHE 22 7.247 12.392 4.521
156 H ILE 23 H ILE 23 5.186 12.324 -2.439
157 HA ILE 23 HA ILE 23 7.190 14.277 -1.979
158 HB ILE 23 HB ILE 23 6.746 12.657 -4.527
159 HG12 ILE 23 2HG1 ILE 23 8.715 11.318 -3.637
160 HG13 ILE 23 1HG1 ILE 23 8.391 12.095 -2.079
161 HG21 ILE 23 1HG2 ILE 23 9.115 13.090 -4.959
162 HG22 ILE 23 2HG2 ILE 23 9.162 14.142 -3.541
163 HG23 ILE 23 3HG2 ILE 23 8.146 14.564 -4.923
164 HD11 ILE 23 3HD1 ILE 23 7.494 9.834 -2.190
165 HD12 ILE 23 1HD1 ILE 23 6.525 10.286 -3.598
166 HD13 ILE 23 2HD1 ILE 23 6.219 11.041 -2.032
167 H GLU 24 H GLU 24 4.397 14.112 -3.920
168 HA GLU 24 HA GLU 24 4.881 16.414 -5.551
169 HB2 GLU 24 2HB GLU 24 2.137 15.457 -4.740
170 HB3 GLU 24 1HB GLU 24 2.594 16.393 -6.159
171 HG2 GLU 24 2HG GLU 24 3.138 13.566 -5.545
172 HG3 GLU 24 1HG GLU 24 2.142 14.209 -6.851
173 H CYS 25 H CYS 25 3.299 15.893 -2.507
174 HA CYS 25 HA CYS 25 2.360 18.520 -2.142
175 HB2 CYS 25 2HB CYS 25 1.565 16.550 -0.836
176 HB3 CYS 25 1HB CYS 25 3.102 16.543 0.023
177 H LEU 26 H LEU 26 5.450 16.979 -1.417
178 HA LEU 26 HA LEU 26 6.458 19.267 -0.091
179 HB2 LEU 26 2HB LEU 26 7.736 16.790 -1.141
180 HB3 LEU 26 1HB LEU 26 8.766 18.153 -0.756
181 HG LEU 26 HG LEU 26 8.787 16.678 1.112
182 HD11 LEU 26 1HD1 LEU 26 6.975 18.971 1.817
183 HD12 LEU 26 2HD1 LEU 26 8.713 19.067 1.600
184 HD13 LEU 26 3HD1 LEU 26 8.047 18.089 2.905
185 HD21 LEU 26 3HD2 LEU 26 5.773 16.827 1.142
186 HD22 LEU 26 1HD2 LEU 26 6.774 16.018 2.348
187 HD23 LEU 26 2HD2 LEU 26 6.737 15.423 0.689
188 H LYS 27 H LYS 27 6.014 18.574 -3.377
189 HA LYS 27 HA LYS 27 7.810 20.650 -4.307
190 HB2 LYS 27 2HB LYS 27 5.421 19.423 -5.699
191 HB3 LYS 27 1HB LYS 27 6.581 20.496 -6.437
192 HG2 LYS 27 2HG LYS 27 8.308 18.731 -6.100
193 HG3 LYS 27 1HG LYS 27 7.014 17.660 -5.532
194 HD2 LYS 27 2HD LYS 27 5.801 18.000 -7.634
195 HD3 LYS 27 1HD LYS 27 7.082 19.062 -8.204
196 HE2 LYS 27 2HE LYS 27 7.346 16.927 -9.221
197 HE3 LYS 27 1HE LYS 27 8.648 17.143 -8.055
198 HZ1 LYS 27 3HZ LYS 27 7.467 15.738 -6.512
199 HZ2 LYS 27 1HZ LYS 27 7.663 14.942 -7.988
200 HZ3 LYS 27 2HZ LYS 27 6.162 15.586 -7.605
201 H GLY 28 H GLY 28 4.353 20.189 -3.932
202 HA2 GLY 28 2HA GLY 28 2.973 21.983 -2.941
203 HA3 GLY 28 1HA GLY 28 3.893 23.117 -3.941
204 H ILE 29 H ILE 29 1.199 21.061 -3.804
205 HA ILE 29 HA ILE 29 0.818 21.546 -6.531
206 HB ILE 29 HB ILE 29 -0.005 19.234 -6.904
207 HG12 ILE 29 2HG1 ILE 29 1.163 17.452 -5.355
208 HG13 ILE 29 1HG1 ILE 29 1.159 18.749 -4.172
209 HG21 ILE 29 1HG2 ILE 29 2.103 19.875 -7.813
210 HG22 ILE 29 2HG2 ILE 29 2.186 18.198 -7.273
211 HG23 ILE 29 3HG2 ILE 29 2.922 19.475 -6.303
212 HD11 ILE 29 3HD1 ILE 29 -1.237 17.545 -5.527
213 HD12 ILE 29 1HD1 ILE 29 -1.269 18.882 -4.381
214 HD13 ILE 29 2HD1 ILE 29 -0.728 17.281 -3.855
215 H GLY 30 H GLY 30 -0.849 22.176 -6.746
216 HA2 GLY 30 2HA GLY 30 -3.073 22.297 -4.871
217 HA3 GLY 30 1HA GLY 30 -3.132 22.932 -6.512
218 H HIS 31 H HIS 31 -4.200 20.554 -4.462
219 HA HIS 31 HA HIS 31 -5.546 18.784 -4.567
220 HB2 HIS 31 2HB HIS 31 -7.090 20.206 -5.823
221 HB3 HIS 31 1HB HIS 31 -6.275 19.803 -7.327
222 HD1 HIS 31 1HD HIS 31 -7.308 17.839 -8.624
223 HD2 HIS 31 2HD HIS 31 -8.426 17.877 -4.619
224 HE1 HIS 31 1HE HIS 31 -8.933 15.956 -8.349
225 H LYS 32 H LYS 32 -4.868 18.538 -7.890
226 HA LYS 32 HA LYS 32 -4.150 16.865 -9.232
227 HB2 LYS 32 2HB LYS 32 -2.319 16.262 -6.931
228 HB3 LYS 32 1HB LYS 32 -2.275 15.406 -8.462
229 HG2 LYS 32 2HG LYS 32 -1.850 17.593 -9.587
230 HG3 LYS 32 1HG LYS 32 -1.730 18.325 -7.989
231 HD2 LYS 32 2HD LYS 32 0.485 17.803 -8.823
232 HD3 LYS 32 1HD LYS 32 0.109 16.786 -7.435
233 HE2 LYS 32 2HE LYS 32 1.213 15.490 -9.173
234 HE3 LYS 32 1HE LYS 32 -0.431 14.926 -8.966
235 HZ1 LYS 32 3HZ LYS 32 0.499 16.774 -11.078
236 HZ2 LYS 32 1HZ LYS 32 -1.075 16.189 -10.924
237 HZ3 LYS 32 2HZ LYS 32 0.183 15.136 -11.294
238 H TYR 33 H TYR 33 -4.104 15.172 -6.141
239 HA TYR 33 HA TYR 33 -5.556 13.011 -7.511
240 HB2 TYR 33 2HB TYR 33 -3.947 12.763 -4.959
241 HB3 TYR 33 1HB TYR 33 -4.619 11.468 -5.912
242 HD1 TYR 33 2HD TYR 33 -1.941 13.979 -5.743
243 HD2 TYR 33 1HD TYR 33 -3.472 10.636 -7.885
244 HE1 TYR 33 2HE TYR 33 0.171 13.787 -6.923
245 HE2 TYR 33 1HE TYR 33 -1.348 10.426 -9.079
246 HH TYR 33 HH TYR 33 0.569 11.911 -9.693
247 HA PRO 34 HA PRO 34 -9.176 13.723 -4.999
248 HB2 PRO 34 2HB PRO 34 -9.827 11.019 -4.621
249 HB3 PRO 34 1HB PRO 34 -10.337 12.013 -5.979
250 HG2 PRO 34 2HG PRO 34 -8.118 10.057 -5.815
251 HG3 PRO 34 1HG PRO 34 -9.190 10.450 -7.164
252 HD2 PRO 34 2HD PRO 34 -6.666 11.300 -7.087
253 HD3 PRO 34 1HD PRO 34 -7.960 12.310 -7.765
254 H PHE 35 H PHE 35 -6.794 11.409 -3.943
255 HA PHE 35 HA PHE 35 -7.780 11.466 -1.190
256 HB2 PHE 35 2HB PHE 35 -6.170 9.506 -0.936
257 HB3 PHE 35 1HB PHE 35 -7.565 9.245 -1.981
258 HD1 PHE 35 2HD PHE 35 -7.304 9.083 -4.347
259 HD2 PHE 35 1HD PHE 35 -3.963 9.627 -1.833
260 HE1 PHE 35 2HE PHE 35 -5.883 8.527 -6.206
261 HE2 PHE 35 1HE PHE 35 -2.451 9.056 -3.650
262 HZ PHE 35 HZ PHE 35 -3.393 8.483 -5.904
263 H CYS 36 H CYS 36 -5.763 13.270 -2.881
264 HA CYS 36 HA CYS 36 -3.373 13.177 -1.226
265 HB2 CYS 36 2HB CYS 36 -3.118 13.646 -3.563
266 HB3 CYS 36 1HB CYS 36 -4.245 14.997 -3.489
267 H HIS 37 H HIS 37 -3.429 13.806 0.702
268 HA HIS 37 HA HIS 37 -5.018 16.129 1.261
269 HB2 HIS 37 2HB HIS 37 -4.511 15.629 3.728
270 HB3 HIS 37 1HB HIS 37 -5.576 14.522 2.885
271 HD1 HIS 37 1HD HIS 37 -5.035 12.111 3.247
272 HD2 HIS 37 2HD HIS 37 -1.755 14.560 3.877
273 HE1 HIS 37 1HE HIS 37 -3.228 10.604 4.100
274 H CYS 38 H CYS 38 -3.699 17.380 0.053
275 HA CYS 38 HA CYS 38 -1.533 18.474 1.697
276 HB2 CYS 38 2HB CYS 38 -0.741 17.301 -0.419
277 HB3 CYS 38 1HB CYS 38 -1.623 18.518 -1.334
278 H ARG 39 H ARG 39 -1.269 20.888 1.292
279 HA ARG 39 HA ARG 39 -3.499 22.232 0.102
280 HB2 ARG 39 2HB ARG 39 -4.280 21.646 2.391
281 HB3 ARG 39 1HB ARG 39 -2.888 22.487 3.052
282 HG2 ARG 39 2HG ARG 39 -3.666 24.557 2.074
283 HG3 ARG 39 1HG ARG 39 -5.053 23.694 1.401
284 HD2 ARG 39 2HD ARG 39 -5.712 24.845 3.453
285 HD3 ARG 39 1HD ARG 39 -5.768 23.099 3.688
286 HE ARG 39 HE ARG 39 -3.486 24.733 4.555
287 HH11 ARG 39 1HH1 ARG 39 -5.962 22.291 5.289
288 HH12 ARG 39 2HH1 ARG 39 -5.396 21.986 6.863
289 HH21 ARG 39 1HH2 ARG 39 -2.710 24.284 6.755
290 HH22 ARG 39 2HH2 ARG 39 -3.527 23.142 7.710
Start of MODEL 6
1 H1 HIS 1 H HIS 1 18.693 3.233 4.696
2 HA HIS 1 HA HIS 1 20.445 2.091 6.648
3 HB2 HIS 1 2HB HIS 1 21.534 3.572 4.236
4 HB3 HIS 1 1HB HIS 1 22.465 3.123 5.658
5 HD1 HIS 1 1HD HIS 1 23.190 0.626 5.847
6 HD2 HIS 1 2HD HIS 1 20.950 1.525 2.471
7 HE1 HIS 1 1HE HIS 1 23.388 -1.376 4.328
8 H GLY 2 H GLY 2 20.387 3.448 8.282
9 HA2 GLY 2 2HA GLY 2 20.937 5.838 8.818
10 HA3 GLY 2 1HA GLY 2 19.596 6.213 7.740
11 H GLU 3 H GLU 3 19.705 6.997 10.344
12 HA GLU 3 HA GLU 3 18.174 5.263 12.058
13 HB2 GLU 3 2HB GLU 3 18.942 8.167 12.312
14 HB3 GLU 3 1HB GLU 3 18.315 7.155 13.608
15 HG2 GLU 3 2HG GLU 3 20.266 5.894 13.730
16 HG3 GLU 3 1HG GLU 3 20.817 6.411 12.142
17 H GLY 4 H GLY 4 17.657 8.273 10.270
18 HA2 GLY 4 2HA GLY 4 14.771 7.793 10.321
19 HA3 GLY 4 1HA GLY 4 15.403 9.364 10.808
20 H THR 5 H THR 5 16.173 7.092 8.212
21 HA THR 5 HA THR 5 16.212 9.294 6.349
22 HB THR 5 HB THR 5 17.176 7.430 4.828
23 HG1 THR 5 1HG THR 5 18.201 5.790 6.124
24 HG21 THR 5 3HG2 THR 5 18.676 8.289 7.303
25 HG22 THR 5 1HG2 THR 5 18.517 9.232 5.821
26 HG23 THR 5 2HG2 THR 5 19.403 7.706 5.806
27 H PHE 6 H PHE 6 14.355 9.727 5.380
28 HA PHE 6 HA PHE 6 12.469 7.540 4.929
29 HB2 PHE 6 2HB PHE 6 11.987 10.516 5.122
30 HB3 PHE 6 1HB PHE 6 10.749 9.327 4.741
31 HD1 PHE 6 2HD PHE 6 10.038 7.702 6.452
32 HD2 PHE 6 1HD PHE 6 12.738 10.869 7.351
33 HE1 PHE 6 2HE PHE 6 9.622 7.378 8.851
34 HE2 PHE 6 1HE PHE 6 12.324 10.543 9.747
35 HZ PHE 6 HZ PHE 6 10.766 8.794 10.496
36 H THR 7 H THR 7 12.614 6.765 2.974
37 HA THR 7 HA THR 7 12.569 8.637 0.745
38 HB THR 7 HB THR 7 14.030 5.979 0.790
39 HG1 THR 7 1HG THR 7 14.715 8.437 1.637
40 HG21 THR 7 3HG2 THR 7 13.198 6.668 -1.432
41 HG22 THR 7 1HG2 THR 7 14.959 6.745 -1.356
42 HG23 THR 7 2HG2 THR 7 14.006 8.224 -1.245
43 H SER 8 H SER 8 10.646 8.383 -0.170
44 HA SER 8 HA SER 8 8.961 6.190 0.401
45 HB2 SER 8 2HB SER 8 8.690 8.376 -1.656
46 HB3 SER 8 1HB SER 8 7.396 7.371 -1.001
47 HG SER 8 HG SER 8 7.791 8.278 1.041
48 H ASP 9 H ASP 9 8.377 4.516 -0.880
49 HA ASP 9 HA ASP 9 8.221 3.046 -2.596
50 HB2 ASP 9 2HB ASP 9 7.887 4.849 -4.154
51 HB3 ASP 9 1HB ASP 9 9.599 5.221 -4.179
52 H LEU 10 H LEU 10 10.797 3.827 -0.974
53 HA LEU 10 HA LEU 10 12.866 2.411 -2.327
54 HB2 LEU 10 2HB LEU 10 13.351 4.170 -0.680
55 HB3 LEU 10 1HB LEU 10 12.583 3.238 0.576
56 HG LEU 10 HG LEU 10 15.074 2.211 -0.800
57 HD11 LEU 10 1HD1 LEU 10 16.368 3.254 0.989
58 HD12 LEU 10 2HD1 LEU 10 14.912 4.038 1.597
59 HD13 LEU 10 3HD1 LEU 10 15.554 4.473 0.012
60 HD21 LEU 10 3HD2 LEU 10 13.768 0.689 0.659
61 HD22 LEU 10 1HD2 LEU 10 13.978 1.821 1.990
62 HD23 LEU 10 2HD2 LEU 10 15.382 1.013 1.286
63 H SER 11 H SER 11 10.642 1.613 0.286
64 HA SER 11 HA SER 11 11.273 -1.218 -0.148
65 HB2 SER 11 2HB SER 11 11.660 -0.336 2.171
66 HB3 SER 11 1HB SER 11 9.948 0.057 2.275
67 HG SER 11 HG SER 11 11.000 -2.529 1.811
68 H LYS 12 H LYS 12 8.972 1.208 -0.613
69 HA LYS 12 HA LYS 12 6.784 1.342 -0.956
70 HB2 LYS 12 2HB LYS 12 5.944 0.096 -2.936
71 HB3 LYS 12 1HB LYS 12 7.458 0.940 -3.188
72 HG2 LYS 12 2HG LYS 12 8.684 -1.097 -3.128
73 HG3 LYS 12 1HG LYS 12 7.260 -1.995 -2.593
74 HD2 LYS 12 2HD LYS 12 6.138 -1.462 -4.613
75 HD3 LYS 12 1HD LYS 12 7.524 -0.534 -5.190
76 HE2 LYS 12 2HE LYS 12 7.482 -2.790 -6.200
77 HE3 LYS 12 1HE LYS 12 8.895 -2.577 -5.172
78 HZ1 LYS 12 3HZ LYS 12 6.396 -4.015 -4.402
79 HZ2 LYS 12 1HZ LYS 12 7.739 -3.789 -3.412
80 HZ3 LYS 12 2HZ LYS 12 7.877 -4.720 -4.779
81 H GLN 13 H GLN 13 6.558 0.603 1.136
82 HA GLN 13 HA GLN 13 5.387 -1.989 1.749
83 HB2 GLN 13 2HB GLN 13 5.493 0.523 3.410
84 HB3 GLN 13 1HB GLN 13 5.201 -1.109 3.978
85 HG2 GLN 13 2HG GLN 13 7.423 -1.704 3.745
86 HG3 GLN 13 1HG GLN 13 7.744 -0.399 2.597
87 HE21 GLN 13 1HE2 GLN 13 7.947 1.665 3.331
88 HE22 GLN 13 2HE2 GLN 13 8.324 2.044 4.974
89 H MET 14 H MET 14 4.254 1.273 2.476
90 HA MET 14 HA MET 14 1.484 0.531 1.835
91 HB2 MET 14 2HB MET 14 2.040 0.803 4.292
92 HB3 MET 14 1HB MET 14 2.538 2.444 3.939
93 HG2 MET 14 2HG MET 14 0.248 2.988 3.251
94 HG3 MET 14 1HG MET 14 -0.248 1.338 3.614
95 HE1 MET 14 3HE MET 14 2.278 3.632 5.656
96 HE2 MET 14 1HE MET 14 1.170 4.381 6.801
97 HE3 MET 14 2HE MET 14 1.038 4.746 5.082
98 H GLU 15 H GLU 15 3.843 1.688 0.468
99 HA GLU 15 HA GLU 15 3.322 4.475 0.300
100 HB2 GLU 15 2HB GLU 15 5.464 2.825 -1.012
101 HB3 GLU 15 1HB GLU 15 5.273 4.536 -1.312
102 HG2 GLU 15 2HG GLU 15 7.005 4.321 0.297
103 HG3 GLU 15 1HG GLU 15 5.604 4.920 1.159
104 H GLU 16 H GLU 16 1.220 4.102 -0.466
105 HA GLU 16 HA GLU 16 1.208 4.301 -3.359
106 HB2 GLU 16 2HB GLU 16 0.225 2.165 -2.718
107 HB3 GLU 16 1HB GLU 16 -0.777 2.946 -1.514
108 HG2 GLU 16 2HG GLU 16 -2.021 2.286 -3.411
109 HG3 GLU 16 1HG GLU 16 -2.051 4.038 -3.256
110 H GLU 17 H GLU 17 -1.341 4.718 -0.884
111 HA GLU 17 HA GLU 17 -1.927 7.234 -1.905
112 HB2 GLU 17 2HB GLU 17 -3.736 7.116 -0.224
113 HB3 GLU 17 1HB GLU 17 -3.714 5.714 -1.279
114 HG2 GLU 17 2HG GLU 17 -2.592 4.418 0.462
115 HG3 GLU 17 1HG GLU 17 -2.626 5.823 1.522
116 H ALA 18 H ALA 18 -1.954 8.823 -0.753
117 HA ALA 18 HA ALA 18 -0.968 10.664 0.258
118 HB1 ALA 18 1HB ALA 18 -1.941 9.694 2.284
119 HB2 ALA 18 2HB ALA 18 -0.413 10.535 2.614
120 HB3 ALA 18 3HB ALA 18 -0.452 8.777 2.545
121 H VAL 19 H VAL 19 0.809 8.281 -0.883
122 HA VAL 19 HA VAL 19 3.313 9.648 -0.250
123 HB VAL 19 HB VAL 19 2.836 6.889 -1.446
124 HG11 VAL 19 1HG1 VAL 19 5.440 8.301 -0.855
125 HG12 VAL 19 2HG1 VAL 19 4.808 7.935 -2.462
126 HG13 VAL 19 3HG1 VAL 19 5.280 6.623 -1.379
127 HG21 VAL 19 3HG2 VAL 19 4.056 6.196 0.649
128 HG22 VAL 19 1HG2 VAL 19 2.457 6.910 0.919
129 HG23 VAL 19 2HG2 VAL 19 3.910 7.861 1.182
130 H ARG 20 H ARG 20 1.263 8.432 -2.792
131 HA ARG 20 HA ARG 20 2.493 9.716 -4.951
132 HB2 ARG 20 2HB ARG 20 -0.252 8.708 -4.371
133 HB3 ARG 20 1HB ARG 20 0.014 9.536 -5.878
134 HG2 ARG 20 2HG ARG 20 1.463 7.060 -4.923
135 HG3 ARG 20 1HG ARG 20 0.145 7.090 -6.095
136 HD2 ARG 20 2HD ARG 20 1.504 8.392 -7.633
137 HD3 ARG 20 1HD ARG 20 2.807 8.474 -6.452
138 HE ARG 20 HE ARG 20 2.506 5.868 -6.691
139 HH11 ARG 20 1HH1 ARG 20 2.702 8.323 -9.263
140 HH12 ARG 20 2HH1 ARG 20 3.495 7.293 -10.353
141 HH21 ARG 20 1HH2 ARG 20 3.616 4.497 -8.169
142 HH22 ARG 20 2HH2 ARG 20 4.015 5.035 -9.728
143 H CYS 21 H CYS 21 0.794 10.937 -2.339
144 HA CYS 21 HA CYS 21 0.268 13.490 -3.688
145 HB2 CYS 21 2HB CYS 21 -1.692 12.665 -2.545
146 HB3 CYS 21 1HB CYS 21 -0.770 12.325 -1.086
147 H PHE 22 H PHE 22 2.311 11.865 -1.499
148 HA PHE 22 HA PHE 22 3.044 13.972 0.245
149 HB2 PHE 22 2HB PHE 22 3.228 11.517 0.676
150 HB3 PHE 22 1HB PHE 22 4.588 11.481 -0.438
151 HD1 PHE 22 2HD PHE 22 3.344 12.711 2.736
152 HD2 PHE 22 1HD PHE 22 6.733 12.214 0.252
153 HE1 PHE 22 2HE PHE 22 4.768 13.261 4.625
154 HE2 PHE 22 1HE PHE 22 8.217 12.762 2.118
155 HZ PHE 22 HZ PHE 22 7.249 13.296 4.342
156 H ILE 23 H ILE 23 4.847 12.303 -2.308
157 HA ILE 23 HA ILE 23 7.093 13.987 -2.250
158 HB ILE 23 HB ILE 23 6.093 12.344 -4.604
159 HG12 ILE 23 2HG1 ILE 23 6.316 10.969 -2.567
160 HG13 ILE 23 1HG1 ILE 23 7.528 10.542 -3.767
161 HG21 ILE 23 1HG2 ILE 23 8.856 13.317 -3.911
162 HG22 ILE 23 2HG2 ILE 23 7.844 13.946 -5.213
163 HG23 ILE 23 3HG2 ILE 23 8.456 12.287 -5.289
164 HD11 ILE 23 3HD1 ILE 23 8.439 10.574 -1.505
165 HD12 ILE 23 1HD1 ILE 23 8.000 12.274 -1.344
166 HD13 ILE 23 2HD1 ILE 23 9.210 11.786 -2.528
167 H GLU 24 H GLU 24 4.149 14.093 -4.075
168 HA GLU 24 HA GLU 24 4.816 16.176 -5.866
169 HB2 GLU 24 2HB GLU 24 2.078 15.530 -4.801
170 HB3 GLU 24 1HB GLU 24 2.515 16.290 -6.330
171 HG2 GLU 24 2HG GLU 24 3.090 13.495 -5.533
172 HG3 GLU 24 1HG GLU 24 1.773 14.003 -6.572
173 H CYS 25 H CYS 25 3.284 16.053 -2.703
174 HA CYS 25 HA CYS 25 2.662 18.818 -2.626
175 HB2 CYS 25 2HB CYS 25 1.427 17.172 -1.275
176 HB3 CYS 25 1HB CYS 25 2.841 16.896 -0.275
177 H LEU 26 H LEU 26 5.512 17.018 -1.720
178 HA LEU 26 HA LEU 26 6.681 19.274 -0.410
179 HB2 LEU 26 2HB LEU 26 7.736 16.608 -1.239
180 HB3 LEU 26 1HB LEU 26 8.885 17.877 -0.879
181 HG LEU 26 HG LEU 26 8.610 16.442 1.048
182 HD11 LEU 26 1HD1 LEU 26 7.319 19.115 1.535
183 HD12 LEU 26 2HD1 LEU 26 9.047 18.775 1.482
184 HD13 LEU 26 3HD1 LEU 26 8.050 18.071 2.752
185 HD21 LEU 26 3HD2 LEU 26 5.684 17.185 0.991
186 HD22 LEU 26 1HD2 LEU 26 6.487 16.266 2.264
187 HD23 LEU 26 2HD2 LEU 26 6.358 15.593 0.640
188 H LYS 27 H LYS 27 6.175 18.498 -3.600
189 HA LYS 27 HA LYS 27 8.206 20.329 -4.607
190 HB2 LYS 27 2HB LYS 27 5.895 18.978 -6.039
191 HB3 LYS 27 1HB LYS 27 7.169 19.903 -6.812
192 HG2 LYS 27 2HG LYS 27 8.803 18.235 -6.116
193 HG3 LYS 27 1HG LYS 27 7.525 17.312 -5.324
194 HD2 LYS 27 2HD LYS 27 6.386 17.031 -7.472
195 HD3 LYS 27 1HD LYS 27 7.648 17.971 -8.265
196 HE2 LYS 27 2HE LYS 27 8.051 15.349 -6.828
197 HE3 LYS 27 1HE LYS 27 7.963 15.556 -8.574
198 HZ1 LYS 27 3HZ LYS 27 9.935 16.983 -8.432
199 HZ2 LYS 27 1HZ LYS 27 10.229 15.420 -7.885
200 HZ3 LYS 27 2HZ LYS 27 10.042 16.691 -6.785
201 H GLY 28 H GLY 28 4.708 20.018 -4.364
202 HA2 GLY 28 2HA GLY 28 3.615 22.012 -3.297
203 HA3 GLY 28 1HA GLY 28 4.413 22.958 -4.549
204 H ILE 29 H ILE 29 1.734 20.899 -3.779
205 HA ILE 29 HA ILE 29 0.697 21.502 -6.317
206 HB ILE 29 HB ILE 29 -0.181 19.228 -6.720
207 HG12 ILE 29 2HG1 ILE 29 1.130 17.314 -5.467
208 HG13 ILE 29 1HG1 ILE 29 1.266 18.519 -4.193
209 HG21 ILE 29 1HG2 ILE 29 1.779 19.790 -7.898
210 HG22 ILE 29 2HG2 ILE 29 1.874 18.090 -7.423
211 HG23 ILE 29 3HG2 ILE 29 2.795 19.305 -6.544
212 HD11 ILE 29 3HD1 ILE 29 -1.267 17.426 -5.389
213 HD12 ILE 29 1HD1 ILE 29 -1.175 18.694 -4.168
214 HD13 ILE 29 2HD1 ILE 29 -0.607 17.063 -3.790
215 H GLY 30 H GLY 30 -0.934 22.300 -5.981
216 HA2 GLY 30 2HA GLY 30 -2.566 21.980 -3.578
217 HA3 GLY 30 1HA GLY 30 -2.922 23.112 -4.890
218 H HIS 31 H HIS 31 -3.221 19.929 -3.691
219 HA HIS 31 HA HIS 31 -4.522 18.138 -4.116
220 HB2 HIS 31 2HB HIS 31 -6.296 19.720 -3.528
221 HB3 HIS 31 1HB HIS 31 -6.409 20.245 -5.201
222 HD1 HIS 31 1HD HIS 31 -8.368 19.216 -6.375
223 HD2 HIS 31 2HD HIS 31 -6.872 16.772 -3.367
224 HE1 HIS 31 1HE HIS 31 -9.813 17.147 -6.370
225 H LYS 32 H LYS 32 -3.261 17.016 -5.555
226 HA LYS 32 HA LYS 32 -3.916 17.398 -8.387
227 HB2 LYS 32 2HB LYS 32 -1.504 17.388 -7.881
228 HB3 LYS 32 1HB LYS 32 -1.646 15.786 -7.171
229 HG2 LYS 32 2HG LYS 32 -2.361 14.909 -9.377
230 HG3 LYS 32 1HG LYS 32 -2.107 16.508 -10.061
231 HD2 LYS 32 2HD LYS 32 0.044 14.846 -8.743
232 HD3 LYS 32 1HD LYS 32 -0.257 14.902 -10.476
233 HE2 LYS 32 2HE LYS 32 0.184 17.335 -10.426
234 HE3 LYS 32 1HE LYS 32 0.570 17.198 -8.713
235 HZ1 LYS 32 3HZ LYS 32 2.423 15.725 -9.270
236 HZ2 LYS 32 1HZ LYS 32 2.560 17.150 -10.149
237 HZ3 LYS 32 2HZ LYS 32 1.997 15.754 -10.881
238 H TYR 33 H TYR 33 -4.408 15.197 -5.798
239 HA TYR 33 HA TYR 33 -5.558 13.226 -7.667
240 HB2 TYR 33 2HB TYR 33 -4.150 12.566 -5.055
241 HB3 TYR 33 1HB TYR 33 -4.876 11.424 -6.156
242 HD1 TYR 33 1HD TYR 33 -2.137 13.890 -5.857
243 HD2 TYR 33 2HD TYR 33 -3.608 10.475 -7.899
244 HE1 TYR 33 1HE TYR 33 -0.009 13.656 -6.950
245 HE2 TYR 33 2HE TYR 33 -1.447 10.212 -9.021
246 HH TYR 33 HH TYR 33 0.512 11.604 -9.614
247 HA PRO 34 HA PRO 34 -9.357 13.787 -5.430
248 HB2 PRO 34 2HB PRO 34 -10.153 11.107 -5.275
249 HB3 PRO 34 1HB PRO 34 -10.440 12.173 -6.648
250 HG2 PRO 34 2HG PRO 34 -8.282 10.160 -6.254
251 HG3 PRO 34 1HG PRO 34 -9.215 10.545 -7.711
252 HD2 PRO 34 2HD PRO 34 -6.730 11.407 -7.430
253 HD3 PRO 34 1HD PRO 34 -7.969 12.461 -8.144
254 H PHE 35 H PHE 35 -7.091 11.435 -4.274
255 HA PHE 35 HA PHE 35 -8.212 11.462 -1.566
256 HB2 PHE 35 2HB PHE 35 -6.606 9.498 -1.259
257 HB3 PHE 35 1HB PHE 35 -7.964 9.257 -2.358
258 HD1 PHE 35 2HD PHE 35 -4.331 9.749 -2.149
259 HD2 PHE 35 1HD PHE 35 -7.646 9.000 -4.682
260 HE1 PHE 35 2HE PHE 35 -2.797 9.197 -3.966
261 HE2 PHE 35 1HE PHE 35 -6.178 8.473 -6.514
262 HZ PHE 35 HZ PHE 35 -3.694 8.551 -6.185
263 H CYS 36 H CYS 36 -6.211 13.349 -3.107
264 HA CYS 36 HA CYS 36 -3.953 13.234 -1.280
265 HB2 CYS 36 2HB CYS 36 -3.392 13.548 -3.589
266 HB3 CYS 36 1HB CYS 36 -4.495 14.903 -3.751
267 H HIS 37 H HIS 37 -4.060 14.186 0.537
268 HA HIS 37 HA HIS 37 -5.880 16.476 0.887
269 HB2 HIS 37 2HB HIS 37 -5.159 14.287 2.856
270 HB3 HIS 37 1HB HIS 37 -6.229 15.639 3.185
271 HD1 HIS 37 1HD HIS 37 -6.467 12.184 2.470
272 HD2 HIS 37 2HD HIS 37 -8.417 15.554 1.028
273 HE1 HIS 37 1HE HIS 37 -8.635 11.367 1.520
274 H CYS 38 H CYS 38 -3.087 16.694 0.171
275 HA CYS 38 HA CYS 38 -1.815 17.453 2.681
276 HB2 CYS 38 2HB CYS 38 -0.467 16.206 0.986
277 HB3 CYS 38 1HB CYS 38 -0.618 17.599 -0.080
278 H ARG 39 H ARG 39 -1.860 19.076 -0.264
279 HA ARG 39 HA ARG 39 -2.721 21.518 1.182
280 HB2 ARG 39 2HB ARG 39 -0.525 21.503 -0.883
281 HB3 ARG 39 1HB ARG 39 -1.216 22.951 -0.177
282 HG2 ARG 39 2HG ARG 39 -0.440 22.193 2.036
283 HG3 ARG 39 1HG ARG 39 0.334 20.810 1.257
284 HD2 ARG 39 2HD ARG 39 1.978 22.528 1.596
285 HD3 ARG 39 1HD ARG 39 1.630 22.393 -0.125
286 HE ARG 39 HE ARG 39 -0.074 24.324 0.733
287 HH11 ARG 39 1HH1 ARG 39 3.438 23.936 0.835
288 HH12 ARG 39 2HH1 ARG 39 3.761 25.596 0.812
289 HH21 ARG 39 1HH2 ARG 39 0.363 26.602 0.741
290 HH22 ARG 39 2HH2 ARG 39 1.965 27.157 0.766
Start of MODEL 7
1 H1 HIS 1 H HIS 1 -9.405 -17.045 -7.953
2 HA HIS 1 HA HIS 1 -8.555 -14.751 -7.994
3 HB2 HIS 1 2HB HIS 1 -8.527 -15.190 -4.998
4 HB3 HIS 1 1HB HIS 1 -7.810 -13.813 -5.821
5 HD1 HIS 1 1HD HIS 1 -11.035 -15.139 -4.552
6 HD2 HIS 1 2HD HIS 1 -9.683 -11.977 -6.889
7 HE1 HIS 1 1HE HIS 1 -12.949 -13.513 -4.683
8 H GLY 2 H GLY 2 -7.872 -17.651 -6.336
9 HA2 GLY 2 2HA GLY 2 -5.864 -18.844 -7.209
10 HA3 GLY 2 1HA GLY 2 -4.990 -17.348 -6.874
11 H GLU 3 H GLU 3 -3.604 -18.420 -5.430
12 HA GLU 3 HA GLU 3 -4.776 -19.701 -3.124
13 HB2 GLU 3 2HB GLU 3 -1.947 -19.327 -4.049
14 HB3 GLU 3 1HB GLU 3 -2.297 -19.843 -2.411
15 HG2 GLU 3 2HG GLU 3 -1.782 -21.735 -3.843
16 HG3 GLU 3 1HG GLU 3 -3.438 -21.816 -3.259
17 H GLY 4 H GLY 4 -3.717 -16.630 -4.012
18 HA2 GLY 4 2HA GLY 4 -3.736 -15.813 -1.197
19 HA3 GLY 4 1HA GLY 4 -2.991 -14.903 -2.515
20 H THR 5 H THR 5 -5.303 -14.450 -0.512
21 HA THR 5 HA THR 5 -7.371 -13.768 -2.445
22 HB THR 5 HB THR 5 -7.317 -13.349 0.557
23 HG1 THR 5 1HG THR 5 -7.901 -15.598 -1.011
24 HG21 THR 5 3HG2 THR 5 -9.755 -13.218 0.333
25 HG22 THR 5 1HG2 THR 5 -9.610 -13.442 -1.411
26 HG23 THR 5 2HG2 THR 5 -8.965 -11.987 -0.651
27 H PHE 6 H PHE 6 -7.028 -11.909 -3.471
28 HA PHE 6 HA PHE 6 -5.194 -9.961 -2.460
29 HB2 PHE 6 2HB PHE 6 -6.890 -9.910 -4.969
30 HB3 PHE 6 1HB PHE 6 -5.562 -8.814 -4.601
31 HD1 PHE 6 1HD PHE 6 -3.229 -9.741 -4.433
32 HD2 PHE 6 2HD PHE 6 -6.494 -12.034 -5.930
33 HE1 PHE 6 1HE PHE 6 -1.650 -11.321 -5.466
34 HE2 PHE 6 2HE PHE 6 -4.917 -13.615 -6.958
35 HZ PHE 6 HZ PHE 6 -2.491 -13.258 -6.726
36 H THR 7 H THR 7 -5.869 -8.736 -0.870
37 HA THR 7 HA THR 7 -8.389 -7.340 -1.199
38 HB THR 7 HB THR 7 -8.678 -9.199 0.433
39 HG1 THR 7 1HG THR 7 -8.955 -7.373 2.301
40 HG21 THR 7 3HG2 THR 7 -6.402 -9.332 1.329
41 HG22 THR 7 1HG2 THR 7 -7.569 -9.104 2.632
42 HG23 THR 7 2HG2 THR 7 -6.595 -7.745 2.075
43 H SER 8 H SER 8 -8.413 -5.247 -0.184
44 HA SER 8 HA SER 8 -5.979 -3.887 -0.508
45 HB2 SER 8 2HB SER 8 -7.383 -1.981 0.382
46 HB3 SER 8 1HB SER 8 -7.940 -2.766 -1.107
47 HG SER 8 HG SER 8 -8.875 -3.304 1.526
48 H ASP 9 H ASP 9 -4.588 -3.084 0.945
49 HA ASP 9 HA ASP 9 -3.377 -2.831 2.834
50 HB2 ASP 9 2HB ASP 9 -6.107 -2.854 4.088
51 HB3 ASP 9 1HB ASP 9 -4.641 -2.509 5.005
52 H LEU 10 H LEU 10 -3.943 -5.437 1.810
53 HA LEU 10 HA LEU 10 -4.489 -7.414 3.730
54 HB2 LEU 10 2HB LEU 10 -4.364 -7.617 1.245
55 HB3 LEU 10 1HB LEU 10 -2.641 -7.474 1.340
56 HG LEU 10 HG LEU 10 -4.232 -9.820 2.443
57 HD11 LEU 10 1HD1 LEU 10 -4.366 -9.684 0.025
58 HD12 LEU 10 2HD1 LEU 10 -3.340 -11.034 0.513
59 HD13 LEU 10 3HD1 LEU 10 -2.612 -9.541 -0.080
60 HD21 LEU 10 3HD2 LEU 10 -2.051 -9.529 3.574
61 HD22 LEU 10 1HD2 LEU 10 -1.250 -9.515 2.003
62 HD23 LEU 10 2HD2 LEU 10 -2.071 -10.972 2.560
63 H SER 11 H SER 11 -1.413 -6.038 2.613
64 HA SER 11 HA SER 11 -0.195 -6.992 5.105
65 HB2 SER 11 2HB SER 11 0.828 -7.887 3.028
66 HB3 SER 11 1HB SER 11 1.119 -6.253 2.460
67 HG SER 11 HG SER 11 2.174 -6.693 4.940
68 H LYS 12 H LYS 12 -1.234 -4.316 3.294
69 HA LYS 12 HA LYS 12 -1.156 -2.077 3.422
70 HB2 LYS 12 2HB LYS 12 -2.213 -2.849 5.615
71 HB3 LYS 12 1HB LYS 12 -0.673 -2.465 6.365
72 HG2 LYS 12 2HG LYS 12 -0.910 -0.145 5.561
73 HG3 LYS 12 1HG LYS 12 -2.508 -0.562 4.938
74 HD2 LYS 12 2HD LYS 12 -3.134 -1.296 7.186
75 HD3 LYS 12 1HD LYS 12 -1.563 -0.721 7.758
76 HE2 LYS 12 2HE LYS 12 -3.189 1.018 8.224
77 HE3 LYS 12 1HE LYS 12 -2.153 1.558 6.905
78 HZ1 LYS 12 3HZ LYS 12 -4.393 2.086 6.348
79 HZ2 LYS 12 1HZ LYS 12 -4.930 0.539 6.718
80 HZ3 LYS 12 2HZ LYS 12 -4.004 0.749 5.372
81 H GLN 13 H GLN 13 1.374 -3.501 3.126
82 HA GLN 13 HA GLN 13 3.409 -1.899 4.375
83 HB2 GLN 13 2HB GLN 13 3.838 -4.241 4.179
84 HB3 GLN 13 1HB GLN 13 3.403 -4.242 2.481
85 HG2 GLN 13 2HG GLN 13 5.752 -4.418 2.680
86 HG3 GLN 13 1HG GLN 13 5.298 -2.851 1.998
87 HE21 GLN 13 1HE2 GLN 13 5.172 -3.681 5.405
88 HE22 GLN 13 2HE2 GLN 13 6.416 -2.611 5.913
89 H MET 14 H MET 14 2.086 -2.537 1.180
90 HA MET 14 HA MET 14 3.571 -0.242 0.135
91 HB2 MET 14 2HB MET 14 2.216 -2.489 -1.362
92 HB3 MET 14 1HB MET 14 3.099 -1.161 -2.090
93 HG2 MET 14 2HG MET 14 5.160 -1.999 -1.051
94 HG3 MET 14 1HG MET 14 4.247 -3.345 -0.368
95 HE1 MET 14 3HE MET 14 5.880 -5.124 -1.507
96 HE2 MET 14 1HE MET 14 6.835 -3.795 -2.168
97 HE3 MET 14 2HE MET 14 6.298 -5.103 -3.221
98 H GLU 15 H GLU 15 2.193 1.392 0.708
99 HA GLU 15 HA GLU 15 -0.537 1.200 -0.303
100 HB2 GLU 15 2HB GLU 15 -1.111 2.982 1.206
101 HB3 GLU 15 1HB GLU 15 -0.327 1.700 2.108
102 HG2 GLU 15 2HG GLU 15 1.004 4.176 1.152
103 HG3 GLU 15 1HG GLU 15 0.268 3.994 2.753
104 H GLU 16 H GLU 16 -1.351 3.090 -1.432
105 HA GLU 16 HA GLU 16 0.884 4.546 -2.637
106 HB2 GLU 16 2HB GLU 16 -0.283 4.742 -4.719
107 HB3 GLU 16 1HB GLU 16 -0.309 3.060 -4.237
108 HG2 GLU 16 2HG GLU 16 -2.610 3.205 -3.613
109 HG3 GLU 16 1HG GLU 16 -2.607 4.956 -3.843
110 H GLU 17 H GLU 17 -2.260 4.797 -1.185
111 HA GLU 17 HA GLU 17 -2.633 7.457 -1.757
112 HB2 GLU 17 2HB GLU 17 -3.764 5.671 0.380
113 HB3 GLU 17 1HB GLU 17 -4.316 7.319 0.110
114 HG2 GLU 17 2HG GLU 17 -5.053 6.707 -2.129
115 HG3 GLU 17 1HG GLU 17 -4.456 5.067 -1.894
116 H ALA 18 H ALA 18 -1.925 8.913 -0.957
117 HA ALA 18 HA ALA 18 -0.804 10.582 0.179
118 HB1 ALA 18 1HB ALA 18 -1.958 9.796 2.194
119 HB2 ALA 18 2HB ALA 18 -0.348 10.420 2.564
120 HB3 ALA 18 3HB ALA 18 -0.635 8.675 2.514
121 H VAL 19 H VAL 19 0.474 7.902 -0.938
122 HA VAL 19 HA VAL 19 3.233 8.709 -0.364
123 HB VAL 19 HB VAL 19 2.181 6.258 -1.845
124 HG11 VAL 19 1HG1 VAL 19 4.464 5.401 -1.662
125 HG12 VAL 19 2HG1 VAL 19 4.957 6.902 -0.874
126 HG13 VAL 19 3HG1 VAL 19 4.424 6.925 -2.554
127 HG21 VAL 19 3HG2 VAL 19 3.281 6.497 0.948
128 HG22 VAL 19 1HG2 VAL 19 2.834 4.992 0.142
129 HG23 VAL 19 2HG2 VAL 19 1.599 6.199 0.513
130 H ARG 20 H ARG 20 0.925 7.998 -2.860
131 HA ARG 20 HA ARG 20 2.096 8.869 -5.200
132 HB2 ARG 20 2HB ARG 20 -0.686 9.024 -4.141
133 HB3 ARG 20 1HB ARG 20 -0.404 9.513 -5.772
134 HG2 ARG 20 2HG ARG 20 0.031 6.796 -4.558
135 HG3 ARG 20 1HG ARG 20 -1.261 7.257 -5.662
136 HD2 ARG 20 2HD ARG 20 0.399 7.648 -7.422
137 HD3 ARG 20 1HD ARG 20 1.682 7.209 -6.293
138 HE ARG 20 HE ARG 20 -0.402 5.249 -6.760
139 HH11 ARG 20 1HH1 ARG 20 2.869 6.364 -7.540
140 HH12 ARG 20 2HH1 ARG 20 3.419 4.834 -8.070
141 HH21 ARG 20 1HH2 ARG 20 0.396 3.140 -7.510
142 HH22 ARG 20 2HH2 ARG 20 1.999 3.000 -8.058
143 H CYS 21 H CYS 21 0.757 10.698 -2.577
144 HA CYS 21 HA CYS 21 0.931 13.216 -4.054
145 HB2 CYS 21 2HB CYS 21 -1.238 12.733 -3.095
146 HB3 CYS 21 1HB CYS 21 -0.540 12.404 -1.529
147 H PHE 22 H PHE 22 2.893 11.391 -2.126
148 HA PHE 22 HA PHE 22 3.572 13.145 0.007
149 HB2 PHE 22 2HB PHE 22 3.909 10.621 -0.132
150 HB3 PHE 22 1HB PHE 22 5.297 11.027 -1.154
151 HD1 PHE 22 1HD PHE 22 7.303 11.983 -0.215
152 HD2 PHE 22 2HD PHE 22 3.957 11.064 2.210
153 HE1 PHE 22 1HE PHE 22 8.712 12.208 1.785
154 HE2 PHE 22 2HE PHE 22 5.357 11.292 4.240
155 HZ PHE 22 HZ PHE 22 7.740 11.866 4.017
156 H ILE 23 H ILE 23 5.553 12.092 -2.785
157 HA ILE 23 HA ILE 23 7.487 14.114 -2.291
158 HB ILE 23 HB ILE 23 7.147 12.288 -4.712
159 HG12 ILE 23 2HG1 ILE 23 7.593 11.101 -2.591
160 HG13 ILE 23 1HG1 ILE 23 8.925 10.945 -3.727
161 HG21 ILE 23 1HG2 ILE 23 8.436 14.262 -5.328
162 HG22 ILE 23 2HG2 ILE 23 9.447 12.817 -5.302
163 HG23 ILE 23 3HG2 ILE 23 9.530 13.974 -3.975
164 HD11 ILE 23 3HD1 ILE 23 10.183 12.624 -2.481
165 HD12 ILE 23 1HD1 ILE 23 9.714 11.279 -1.445
166 HD13 ILE 23 2HD1 ILE 23 8.847 12.811 -1.350
167 H GLU 24 H GLU 24 4.603 13.962 -4.097
168 HA GLU 24 HA GLU 24 5.040 16.221 -5.774
169 HB2 GLU 24 2HB GLU 24 2.362 15.447 -4.613
170 HB3 GLU 24 1HB GLU 24 2.675 16.317 -6.101
171 HG2 GLU 24 2HG GLU 24 3.105 13.432 -5.515
172 HG3 GLU 24 1HG GLU 24 1.951 14.144 -6.630
173 H CYS 25 H CYS 25 3.682 15.719 -2.547
174 HA CYS 25 HA CYS 25 2.948 18.399 -2.116
175 HB2 CYS 25 2HB CYS 25 1.950 16.472 -0.881
176 HB3 CYS 25 1HB CYS 25 3.419 16.312 0.059
177 H LEU 26 H LEU 26 5.978 16.887 -1.976
178 HA LEU 26 HA LEU 26 7.224 18.807 -0.303
179 HB2 LEU 26 2HB LEU 26 8.240 16.894 -2.342
180 HB3 LEU 26 1HB LEU 26 9.303 18.202 -1.868
181 HG LEU 26 HG LEU 26 9.249 17.420 0.458
182 HD11 LEU 26 1HD1 LEU 26 8.253 15.282 1.055
183 HD12 LEU 26 2HD1 LEU 26 7.527 15.166 -0.548
184 HD13 LEU 26 3HD1 LEU 26 7.033 16.450 0.552
185 HD21 LEU 26 3HD2 LEU 26 10.484 15.339 0.139
186 HD22 LEU 26 1HD2 LEU 26 10.972 16.584 -1.011
187 HD23 LEU 26 2HD2 LEU 26 9.919 15.267 -1.530
188 H LYS 27 H LYS 27 5.781 19.209 -3.298
189 HA LYS 27 HA LYS 27 7.036 21.839 -3.611
190 HB2 LYS 27 2HB LYS 27 5.839 20.032 -5.731
191 HB3 LYS 27 1HB LYS 27 6.321 21.694 -6.008
192 HG2 LYS 27 2HG LYS 27 8.159 19.442 -5.218
193 HG3 LYS 27 1HG LYS 27 7.970 20.097 -6.845
194 HD2 LYS 27 2HD LYS 27 8.747 22.294 -6.005
195 HD3 LYS 27 1HD LYS 27 8.998 21.568 -4.416
196 HE2 LYS 27 2HE LYS 27 10.380 20.751 -6.972
197 HE3 LYS 27 1HE LYS 27 11.089 21.718 -5.687
198 HZ1 LYS 27 3HZ LYS 27 10.213 18.877 -5.473
199 HZ2 LYS 27 1HZ LYS 27 10.798 19.806 -4.186
200 HZ3 LYS 27 2HZ LYS 27 11.793 19.453 -5.481
201 H GLY 28 H GLY 28 5.305 23.251 -4.918
202 HA2 GLY 28 2HA GLY 28 2.998 23.350 -3.196
203 HA3 GLY 28 1HA GLY 28 3.385 24.473 -4.496
204 H ILE 29 H ILE 29 1.660 21.577 -3.632
205 HA ILE 29 HA ILE 29 0.462 21.596 -6.206
206 HB ILE 29 HB ILE 29 0.478 19.130 -6.365
207 HG12 ILE 29 2HG1 ILE 29 2.177 17.977 -4.645
208 HG13 ILE 29 1HG1 ILE 29 1.570 19.259 -3.604
209 HG21 ILE 29 1HG2 ILE 29 3.227 20.183 -5.828
210 HG22 ILE 29 2HG2 ILE 29 2.374 20.172 -7.370
211 HG23 ILE 29 3HG2 ILE 29 2.876 18.653 -6.620
212 HD11 ILE 29 3HD1 ILE 29 -0.704 18.497 -4.007
213 HD12 ILE 29 1HD1 ILE 29 0.296 17.232 -3.279
214 HD13 ILE 29 2HD1 ILE 29 -0.083 17.179 -5.004
215 H GLY 30 H GLY 30 -1.353 22.014 -5.865
216 HA2 GLY 30 2HA GLY 30 -2.715 21.521 -3.306
217 HA3 GLY 30 1HA GLY 30 -3.258 22.673 -4.521
218 H HIS 31 H HIS 31 -3.177 19.361 -3.539
219 HA HIS 31 HA HIS 31 -4.481 17.585 -3.951
220 HB2 HIS 31 2HB HIS 31 -6.337 19.044 -3.350
221 HB3 HIS 31 1HB HIS 31 -6.401 19.690 -4.982
222 HD1 HIS 31 1HD HIS 31 -7.884 18.459 -6.633
223 HD2 HIS 31 2HD HIS 31 -7.291 16.362 -3.106
224 HE1 HIS 31 1HE HIS 31 -9.468 16.503 -6.724
225 H LYS 32 H LYS 32 -3.075 16.644 -5.401
226 HA LYS 32 HA LYS 32 -3.661 16.973 -8.249
227 HB2 LYS 32 2HB LYS 32 -1.590 15.387 -6.790
228 HB3 LYS 32 1HB LYS 32 -1.900 15.095 -8.495
229 HG2 LYS 32 2HG LYS 32 -1.371 17.537 -8.827
230 HG3 LYS 32 1HG LYS 32 -0.773 17.538 -7.160
231 HD2 LYS 32 2HD LYS 32 0.811 15.762 -7.703
232 HD3 LYS 32 1HD LYS 32 0.178 15.668 -9.345
233 HE2 LYS 32 2HE LYS 32 0.872 18.018 -9.678
234 HE3 LYS 32 1HE LYS 32 1.628 17.992 -8.088
235 HZ1 LYS 32 3HZ LYS 32 2.372 16.406 -10.481
236 HZ2 LYS 32 1HZ LYS 32 3.055 16.116 -8.959
237 HZ3 LYS 32 2HZ LYS 32 3.278 17.597 -9.729
238 H TYR 33 H TYR 33 -4.117 14.718 -5.712
239 HA TYR 33 HA TYR 33 -5.388 12.788 -7.549
240 HB2 TYR 33 2HB TYR 33 -4.112 12.135 -4.876
241 HB3 TYR 33 1HB TYR 33 -4.653 11.018 -6.102
242 HD1 TYR 33 2HD TYR 33 -2.070 13.585 -5.367
243 HD2 TYR 33 1HD TYR 33 -3.181 10.281 -7.812
244 HE1 TYR 33 2HE TYR 33 0.150 13.523 -6.228
245 HE2 TYR 33 1HE TYR 33 -0.913 10.190 -8.696
246 HH TYR 33 HH TYR 33 1.636 11.714 -7.197
247 HA PRO 34 HA PRO 34 -9.177 13.395 -5.167
248 HB2 PRO 34 2HB PRO 34 -9.700 10.694 -4.537
249 HB3 PRO 34 1HB PRO 34 -10.290 11.563 -5.948
250 HG2 PRO 34 2HG PRO 34 -7.964 9.736 -5.694
251 HG3 PRO 34 1HG PRO 34 -9.069 9.977 -7.056
252 HD2 PRO 34 2HD PRO 34 -6.600 10.951 -7.107
253 HD3 PRO 34 1HD PRO 34 -7.955 11.886 -7.771
254 H PHE 35 H PHE 35 -6.821 11.184 -3.856
255 HA PHE 35 HA PHE 35 -7.731 11.617 -1.108
256 HB2 PHE 35 2HB PHE 35 -6.171 9.682 -0.658
257 HB3 PHE 35 1HB PHE 35 -7.595 9.322 -1.639
258 HD1 PHE 35 1HD PHE 35 -3.978 9.678 -1.603
259 HD2 PHE 35 2HD PHE 35 -7.376 8.811 -3.964
260 HE1 PHE 35 1HE PHE 35 -2.519 8.797 -3.356
261 HE2 PHE 35 2HE PHE 35 -5.984 7.952 -5.733
262 HZ PHE 35 HZ PHE 35 -3.511 7.920 -5.467
263 H CYS 36 H CYS 36 -5.919 13.296 -2.941
264 HA CYS 36 HA CYS 36 -3.495 13.405 -1.327
265 HB2 CYS 36 2HB CYS 36 -3.177 13.388 -3.696
266 HB3 CYS 36 1HB CYS 36 -4.320 14.699 -3.921
267 H HIS 37 H HIS 37 -3.801 14.509 0.424
268 HA HIS 37 HA HIS 37 -5.814 16.596 0.498
269 HB2 HIS 37 2HB HIS 37 -4.291 15.275 2.749
270 HB3 HIS 37 1HB HIS 37 -5.617 16.417 2.938
271 HD1 HIS 37 1HD HIS 37 -5.169 12.985 3.314
272 HD2 HIS 37 2HD HIS 37 -7.917 15.240 1.161
273 HE1 HIS 37 1HE HIS 37 -7.149 11.485 2.903
274 H CYS 38 H CYS 38 -2.637 16.455 -0.131
275 HA CYS 38 HA CYS 38 -1.531 18.563 1.365
276 HB2 CYS 38 2HB CYS 38 -0.201 16.975 0.046
277 HB3 CYS 38 1HB CYS 38 -0.844 17.691 -1.431
278 H ARG 39 H ARG 39 -2.062 20.710 1.266
279 HA ARG 39 HA ARG 39 -2.558 22.017 -1.198
280 HB2 ARG 39 2HB ARG 39 -4.818 22.706 -0.836
281 HB3 ARG 39 1HB ARG 39 -4.765 20.954 -0.750
282 HG2 ARG 39 2HG ARG 39 -4.743 21.137 1.733
283 HG3 ARG 39 1HG ARG 39 -4.984 22.875 1.561
284 HD2 ARG 39 2HD ARG 39 -7.137 22.016 1.896
285 HD3 ARG 39 1HD ARG 39 -7.028 22.258 0.153
286 HE ARG 39 HE ARG 39 -6.632 19.664 1.474
287 HH11 ARG 39 1HH1 ARG 39 -7.895 21.508 -1.332
288 HH12 ARG 39 2HH1 ARG 39 -8.753 20.178 -1.952
289 HH21 ARG 39 1HH2 ARG 39 -7.867 17.867 0.549
290 HH22 ARG 39 2HH2 ARG 39 -8.716 18.112 -0.916
Start of MODEL 8
1 H1 HIS 1 H HIS 1 10.847 -25.432 3.453
2 HA HIS 1 HA HIS 1 12.294 -23.065 2.896
3 HB2 HIS 1 2HB HIS 1 14.034 -24.891 2.667
4 HB3 HIS 1 1HB HIS 1 13.015 -25.643 1.456
5 HD1 HIS 1 1HD HIS 1 13.093 -24.606 -0.953
6 HD2 HIS 1 2HD HIS 1 15.406 -22.604 1.862
7 HE1 HIS 1 1HE HIS 1 14.579 -23.051 -2.255
8 H GLY 2 H GLY 2 11.527 -22.243 0.818
9 HA2 GLY 2 2HA GLY 2 10.108 -22.967 -1.163
10 HA3 GLY 2 1HA GLY 2 8.990 -23.513 0.075
11 H GLU 3 H GLU 3 8.307 -21.674 -1.863
12 HA GLU 3 HA GLU 3 7.104 -19.841 -2.115
13 HB2 GLU 3 2HB GLU 3 7.475 -19.461 0.857
14 HB3 GLU 3 1HB GLU 3 6.529 -18.364 -0.137
15 HG2 GLU 3 2HG GLU 3 5.998 -21.303 0.248
16 HG3 GLU 3 1HG GLU 3 5.107 -19.977 1.000
17 H GLY 4 H GLY 4 7.215 -17.366 -1.844
18 HA2 GLY 4 2HA GLY 4 8.780 -15.503 -1.578
19 HA3 GLY 4 1HA GLY 4 10.049 -16.584 -2.156
20 H THR 5 H THR 5 6.851 -16.506 -3.559
21 HA THR 5 HA THR 5 8.041 -15.172 -5.855
22 HB THR 5 HB THR 5 7.400 -17.515 -6.378
23 HG1 THR 5 1HG THR 5 5.693 -16.927 -8.033
24 HG21 THR 5 3HG2 THR 5 5.584 -17.850 -4.781
25 HG22 THR 5 1HG2 THR 5 5.025 -18.208 -6.414
26 HG23 THR 5 2HG2 THR 5 4.584 -16.684 -5.644
27 H PHE 6 H PHE 6 7.301 -13.219 -6.238
28 HA PHE 6 HA PHE 6 5.240 -12.113 -4.592
29 HB2 PHE 6 2HB PHE 6 6.721 -10.850 -6.914
30 HB3 PHE 6 1HB PHE 6 5.714 -9.997 -5.755
31 HD1 PHE 6 1HD PHE 6 6.398 -10.102 -3.296
32 HD2 PHE 6 2HD PHE 6 9.008 -11.154 -6.491
33 HE1 PHE 6 1HE PHE 6 8.333 -9.778 -1.819
34 HE2 PHE 6 2HE PHE 6 10.945 -10.838 -5.021
35 HZ PHE 6 HZ PHE 6 10.615 -10.148 -2.678
36 H THR 7 H THR 7 3.151 -12.132 -4.977
37 HA THR 7 HA THR 7 2.245 -12.568 -7.735
38 HB THR 7 HB THR 7 0.885 -13.425 -5.177
39 HG1 THR 7 1HG THR 7 2.867 -14.493 -5.559
40 HG21 THR 7 3HG2 THR 7 -0.472 -14.833 -6.680
41 HG22 THR 7 1HG2 THR 7 0.394 -14.188 -8.074
42 HG23 THR 7 2HG2 THR 7 -0.631 -13.130 -7.107
43 H SER 8 H SER 8 1.068 -10.937 -8.559
44 HA SER 8 HA SER 8 0.451 -8.593 -7.180
45 HB2 SER 8 2HB SER 8 -0.719 -9.646 -9.755
46 HB3 SER 8 1HB SER 8 -0.711 -7.964 -9.220
47 HG SER 8 HG SER 8 0.952 -8.320 -10.642
48 H ASP 9 H ASP 9 -1.300 -7.906 -6.202
49 HA ASP 9 HA ASP 9 -3.343 -7.619 -5.369
50 HB2 ASP 9 2HB ASP 9 -4.314 -8.254 -7.551
51 HB3 ASP 9 1HB ASP 9 -4.285 -9.946 -7.063
52 H LEU 10 H LEU 10 -2.046 -10.747 -5.374
53 HA LEU 10 HA LEU 10 -3.305 -11.727 -3.015
54 HB2 LEU 10 2HB LEU 10 -2.117 -13.074 -4.785
55 HB3 LEU 10 1HB LEU 10 -0.628 -12.381 -4.212
56 HG LEU 10 HG LEU 10 -2.342 -14.061 -2.368
57 HD11 LEU 10 1HD1 LEU 10 -1.049 -16.004 -3.016
58 HD12 LEU 10 2HD1 LEU 10 -0.209 -15.065 -4.247
59 HD13 LEU 10 3HD1 LEU 10 -1.940 -15.372 -4.398
60 HD21 LEU 10 3HD2 LEU 10 -0.173 -14.531 -1.301
61 HD22 LEU 10 1HD2 LEU 10 -0.507 -12.798 -1.353
62 HD23 LEU 10 2HD2 LEU 10 0.625 -13.510 -2.498
63 H SER 11 H SER 11 -0.328 -9.971 -3.758
64 HA SER 11 HA SER 11 0.430 -9.621 -1.026
65 HB2 SER 11 2HB SER 11 2.089 -8.041 -2.112
66 HB3 SER 11 1HB SER 11 2.135 -9.696 -2.720
67 HG SER 11 HG SER 11 1.789 -8.886 -4.615
68 H LYS 12 H LYS 12 -1.780 -8.330 -3.133
69 HA LYS 12 HA LYS 12 -2.960 -6.497 -3.439
70 HB2 LYS 12 2HB LYS 12 -4.035 -7.596 -1.595
71 HB3 LYS 12 1HB LYS 12 -3.089 -6.645 -0.450
72 HG2 LYS 12 2HG LYS 12 -5.215 -5.711 -0.571
73 HG3 LYS 12 1HG LYS 12 -4.133 -4.592 -1.387
74 HD2 LYS 12 2HD LYS 12 -6.085 -4.671 -2.753
75 HD3 LYS 12 1HD LYS 12 -4.919 -5.706 -3.569
76 HE2 LYS 12 2HE LYS 12 -5.984 -7.678 -2.692
77 HE3 LYS 12 1HE LYS 12 -7.084 -6.703 -1.716
78 HZ1 LYS 12 3HZ LYS 12 -7.926 -5.758 -3.874
79 HZ2 LYS 12 1HZ LYS 12 -8.243 -7.404 -3.669
80 HZ3 LYS 12 2HZ LYS 12 -6.999 -6.929 -4.678
81 H GLN 13 H GLN 13 -0.934 -5.724 -4.020
82 HA GLN 13 HA GLN 13 -0.095 -3.329 -2.567
83 HB2 GLN 13 2HB GLN 13 1.208 -4.726 -4.903
84 HB3 GLN 13 1HB GLN 13 1.810 -3.257 -4.154
85 HG2 GLN 13 2HG GLN 13 2.123 -4.456 -2.054
86 HG3 GLN 13 1HG GLN 13 1.520 -5.931 -2.812
87 HE21 GLN 13 1HE2 GLN 13 2.776 -6.960 -4.325
88 HE22 GLN 13 2HE2 GLN 13 4.458 -6.635 -4.518
89 H MET 14 H MET 14 0.060 -1.340 -3.705
90 HA MET 14 HA MET 14 -1.064 -1.024 -6.306
91 HB2 MET 14 2HB MET 14 -3.090 -1.375 -4.868
92 HB3 MET 14 1HB MET 14 -2.563 -0.050 -3.850
93 HG2 MET 14 2HG MET 14 -2.893 1.506 -5.699
94 HG3 MET 14 1HG MET 14 -3.354 0.166 -6.746
95 HE1 MET 14 3HE MET 14 -4.338 2.292 -3.582
96 HE2 MET 14 1HE MET 14 -4.346 0.654 -2.930
97 HE3 MET 14 2HE MET 14 -5.859 1.538 -3.106
98 H GLU 15 H GLU 15 -0.903 1.337 -6.828
99 HA GLU 15 HA GLU 15 1.155 2.619 -5.362
100 HB2 GLU 15 2HB GLU 15 0.746 4.553 -6.918
101 HB3 GLU 15 1HB GLU 15 1.086 3.046 -7.738
102 HG2 GLU 15 2HG GLU 15 -1.407 2.781 -8.036
103 HG3 GLU 15 1HG GLU 15 -1.562 4.440 -7.463
104 H GLU 16 H GLU 16 0.535 2.740 -3.375
105 HA GLU 16 HA GLU 16 -2.041 3.299 -2.480
106 HB2 GLU 16 2HB GLU 16 -1.061 3.206 -0.219
107 HB3 GLU 16 1HB GLU 16 -0.640 1.834 -1.234
108 HG2 GLU 16 2HG GLU 16 1.549 2.916 -1.669
109 HG3 GLU 16 1HG GLU 16 1.069 4.187 -0.542
110 H GLU 17 H GLU 17 -2.454 4.852 -0.635
111 HA GLU 17 HA GLU 17 -2.235 7.398 -1.766
112 HB2 GLU 17 2HB GLU 17 -3.581 6.441 0.744
113 HB3 GLU 17 1HB GLU 17 -3.851 7.960 -0.082
114 HG2 GLU 17 2HG GLU 17 -4.852 6.875 -1.956
115 HG3 GLU 17 1HG GLU 17 -4.410 5.286 -1.341
116 H ALA 18 H ALA 18 -1.875 8.927 -0.440
117 HA ALA 18 HA ALA 18 -0.491 10.482 0.624
118 HB1 ALA 18 1HB ALA 18 -0.200 8.337 2.723
119 HB2 ALA 18 2HB ALA 18 -1.547 9.470 2.606
120 HB3 ALA 18 3HB ALA 18 0.081 10.063 2.938
121 H VAL 19 H VAL 19 0.895 7.816 -0.730
122 HA VAL 19 HA VAL 19 3.521 8.922 -0.196
123 HB VAL 19 HB VAL 19 3.310 6.471 0.178
124 HG11 VAL 19 1HG1 VAL 19 2.805 6.298 -2.766
125 HG12 VAL 19 2HG1 VAL 19 1.647 5.964 -1.485
126 HG13 VAL 19 3HG1 VAL 19 3.074 4.931 -1.679
127 HG21 VAL 19 3HG2 VAL 19 5.454 7.385 -0.383
128 HG22 VAL 19 1HG2 VAL 19 5.083 7.228 -2.101
129 HG23 VAL 19 2HG2 VAL 19 5.265 5.777 -1.105
130 H ARG 20 H ARG 20 1.258 8.054 -2.688
131 HA ARG 20 HA ARG 20 2.497 9.057 -4.981
132 HB2 ARG 20 2HB ARG 20 -0.323 8.760 -4.072
133 HB3 ARG 20 1HB ARG 20 0.003 9.477 -5.632
134 HG2 ARG 20 2HG ARG 20 1.059 6.766 -4.877
135 HG3 ARG 20 1HG ARG 20 -0.575 6.977 -5.501
136 HD2 ARG 20 2HD ARG 20 0.848 6.424 -7.366
137 HD3 ARG 20 1HD ARG 20 0.391 8.109 -7.473
138 HE ARG 20 HE ARG 20 2.935 7.553 -6.226
139 HH11 ARG 20 1HH1 ARG 20 1.171 8.522 -9.143
140 HH12 ARG 20 2HH1 ARG 20 2.550 9.126 -9.943
141 HH21 ARG 20 1HH2 ARG 20 4.855 8.362 -7.356
142 HH22 ARG 20 2HH2 ARG 20 4.703 8.989 -8.924
143 H CYS 21 H CYS 21 1.206 10.640 -2.270
144 HA CYS 21 HA CYS 21 1.100 13.247 -3.617
145 HB2 CYS 21 2HB CYS 21 -0.966 12.632 -2.465
146 HB3 CYS 21 1HB CYS 21 -0.097 12.386 -0.954
147 H PHE 22 H PHE 22 3.254 11.400 -1.923
148 HA PHE 22 HA PHE 22 3.945 13.046 0.274
149 HB2 PHE 22 2HB PHE 22 4.452 10.583 -0.063
150 HB3 PHE 22 1HB PHE 22 5.773 11.115 -1.102
151 HD1 PHE 22 2HD PHE 22 7.712 12.274 -0.135
152 HD2 PHE 22 1HD PHE 22 4.557 10.755 2.269
153 HE1 PHE 22 2HE PHE 22 9.145 12.474 1.850
154 HE2 PHE 22 1HE PHE 22 5.973 10.949 4.269
155 HZ PHE 22 HZ PHE 22 8.273 11.807 4.065
156 H ILE 23 H ILE 23 5.685 12.465 -2.755
157 HA ILE 23 HA ILE 23 7.534 14.594 -2.231
158 HB ILE 23 HB ILE 23 7.123 13.173 -4.891
159 HG12 ILE 23 2HG1 ILE 23 9.280 11.921 -4.088
160 HG13 ILE 23 1HG1 ILE 23 8.703 12.360 -2.485
161 HG21 ILE 23 1HG2 ILE 23 9.526 14.614 -3.782
162 HG22 ILE 23 2HG2 ILE 23 8.430 15.234 -5.011
163 HG23 ILE 23 3HG2 ILE 23 9.435 13.823 -5.358
164 HD11 ILE 23 3HD1 ILE 23 6.645 11.123 -2.887
165 HD12 ILE 23 1HD1 ILE 23 8.069 10.107 -3.091
166 HD13 ILE 23 2HD1 ILE 23 7.204 10.713 -4.507
167 H GLU 24 H GLU 24 4.594 14.182 -3.802
168 HA GLU 24 HA GLU 24 4.566 16.425 -5.522
169 HB2 GLU 24 2HB GLU 24 2.212 15.129 -4.179
170 HB3 GLU 24 1HB GLU 24 2.246 16.053 -5.679
171 HG2 GLU 24 2HG GLU 24 3.579 13.448 -5.204
172 HG3 GLU 24 1HG GLU 24 2.047 13.658 -6.029
173 H CYS 25 H CYS 25 3.558 15.859 -2.228
174 HA CYS 25 HA CYS 25 2.642 18.545 -1.862
175 HB2 CYS 25 2HB CYS 25 1.794 16.553 -0.552
176 HB3 CYS 25 1HB CYS 25 3.319 16.552 0.317
177 H LEU 26 H LEU 26 5.711 16.992 -1.756
178 HA LEU 26 HA LEU 26 7.004 19.089 -0.269
179 HB2 LEU 26 2HB LEU 26 8.154 16.961 -2.081
180 HB3 LEU 26 1HB LEU 26 9.110 18.043 -1.090
181 HG LEU 26 HG LEU 26 7.196 15.941 -0.075
182 HD11 LEU 26 1HD1 LEU 26 10.203 16.068 -0.019
183 HD12 LEU 26 2HD1 LEU 26 9.236 14.999 -1.032
184 HD13 LEU 26 3HD1 LEU 26 9.206 14.818 0.722
185 HD21 LEU 26 3HD2 LEU 26 8.153 16.497 2.131
186 HD22 LEU 26 1HD2 LEU 26 7.249 17.839 1.429
187 HD23 LEU 26 2HD2 LEU 26 9.009 17.846 1.390
188 H LYS 27 H LYS 27 5.684 18.881 -3.254
189 HA LYS 27 HA LYS 27 7.334 20.993 -4.457
190 HB2 LYS 27 2HB LYS 27 5.041 19.373 -5.622
191 HB3 LYS 27 1HB LYS 27 6.017 20.534 -6.504
192 HG2 LYS 27 2HG LYS 27 7.939 19.128 -6.382
193 HG3 LYS 27 1HG LYS 27 7.142 18.046 -5.237
194 HD2 LYS 27 2HD LYS 27 5.481 17.472 -6.995
195 HD3 LYS 27 1HD LYS 27 6.363 18.500 -8.119
196 HE2 LYS 27 2HE LYS 27 8.294 17.092 -8.016
197 HE3 LYS 27 1HE LYS 27 7.608 16.163 -6.684
198 HZ1 LYS 27 3HZ LYS 27 6.440 16.254 -9.418
199 HZ2 LYS 27 1HZ LYS 27 5.952 15.285 -8.122
200 HZ3 LYS 27 2HZ LYS 27 7.449 15.029 -8.845
201 H GLY 28 H GLY 28 3.935 20.113 -3.904
202 HA2 GLY 28 2HA GLY 28 2.560 21.648 -2.552
203 HA3 GLY 28 1HA GLY 28 3.253 22.972 -3.463
204 H ILE 29 H ILE 29 1.187 20.140 -3.701
205 HA ILE 29 HA ILE 29 -0.199 21.492 -5.728
206 HB ILE 29 HB ILE 29 -0.509 19.399 -7.053
207 HG12 ILE 29 2HG1 ILE 29 1.421 17.697 -6.929
208 HG13 ILE 29 1HG1 ILE 29 1.722 18.333 -5.318
209 HG21 ILE 29 1HG2 ILE 29 0.904 21.081 -7.916
210 HG22 ILE 29 2HG2 ILE 29 1.616 19.498 -8.266
211 HG23 ILE 29 3HG2 ILE 29 2.259 20.490 -6.953
212 HD11 ILE 29 3HD1 ILE 29 -0.500 17.688 -4.637
213 HD12 ILE 29 1HD1 ILE 29 0.357 16.272 -5.235
214 HD13 ILE 29 2HD1 ILE 29 -0.854 17.095 -6.239
215 H GLY 30 H GLY 30 -1.930 21.585 -5.149
216 HA2 GLY 30 2HA GLY 30 -3.224 19.598 -3.376
217 HA3 GLY 30 1HA GLY 30 -3.829 21.236 -3.575
218 H HIS 31 H HIS 31 -5.137 18.531 -3.911
219 HA HIS 31 HA HIS 31 -6.857 17.724 -4.975
220 HB2 HIS 31 2HB HIS 31 -6.689 20.378 -6.212
221 HB3 HIS 31 1HB HIS 31 -7.957 19.251 -6.752
222 HD1 HIS 31 1HD HIS 31 -10.025 19.164 -5.228
223 HD2 HIS 31 2HD HIS 31 -6.841 21.201 -3.501
224 HE1 HIS 31 1HE HIS 31 -10.923 20.199 -3.139
225 H LYS 32 H LYS 32 -4.043 17.542 -6.186
226 HA LYS 32 HA LYS 32 -4.642 16.915 -8.936
227 HB2 LYS 32 2HB LYS 32 -2.191 16.232 -7.334
228 HB3 LYS 32 1HB LYS 32 -2.368 15.992 -9.057
229 HG2 LYS 32 2HG LYS 32 -2.461 18.666 -7.673
230 HG3 LYS 32 1HG LYS 32 -1.075 18.008 -8.548
231 HD2 LYS 32 2HD LYS 32 -2.438 17.962 -10.611
232 HD3 LYS 32 1HD LYS 32 -3.785 18.665 -9.711
233 HE2 LYS 32 2HE LYS 32 -2.433 20.630 -9.212
234 HE3 LYS 32 1HE LYS 32 -1.084 19.942 -10.108
235 HZ1 LYS 32 3HZ LYS 32 -2.440 20.055 -12.137
236 HZ2 LYS 32 1HZ LYS 32 -2.303 21.565 -11.403
237 HZ3 LYS 32 2HZ LYS 32 -3.725 20.693 -11.263
238 H TYR 33 H TYR 33 -4.291 15.048 -5.992
239 HA TYR 33 HA TYR 33 -5.186 12.711 -7.540
240 HB2 TYR 33 2HB TYR 33 -3.637 12.695 -4.913
241 HB3 TYR 33 1HB TYR 33 -4.118 11.292 -5.836
242 HD1 TYR 33 1HD TYR 33 -1.936 14.299 -5.960
243 HD2 TYR 33 2HD TYR 33 -2.711 10.417 -7.528
244 HE1 TYR 33 1HE TYR 33 0.159 14.385 -7.130
245 HE2 TYR 33 2HE TYR 33 -0.570 10.487 -8.720
246 HH TYR 33 HH TYR 33 1.805 12.876 -8.089
247 HA PRO 34 HA PRO 34 -9.019 12.683 -5.258
248 HB2 PRO 34 2HB PRO 34 -8.980 10.029 -4.330
249 HB3 PRO 34 1HB PRO 34 -9.631 10.579 -5.871
250 HG2 PRO 34 2HG PRO 34 -6.964 9.387 -5.274
251 HG3 PRO 34 1HG PRO 34 -8.015 9.152 -6.677
252 HD2 PRO 34 2HD PRO 34 -5.869 10.682 -6.856
253 HD3 PRO 34 1HD PRO 34 -7.385 11.175 -7.638
254 H PHE 35 H PHE 35 -6.148 11.661 -3.728
255 HA PHE 35 HA PHE 35 -7.240 12.189 -1.042
256 HB2 PHE 35 2HB PHE 35 -5.498 10.591 -0.241
257 HB3 PHE 35 1HB PHE 35 -6.758 9.867 -1.247
258 HD1 PHE 35 1HD PHE 35 -3.234 10.796 -1.058
259 HD2 PHE 35 2HD PHE 35 -6.278 9.051 -3.416
260 HE1 PHE 35 1HE PHE 35 -1.542 9.912 -2.563
261 HE2 PHE 35 2HE PHE 35 -4.653 8.157 -4.941
262 HZ PHE 35 HZ PHE 35 -2.245 8.559 -4.563
263 H CYS 36 H CYS 36 -5.622 13.775 -3.212
264 HA CYS 36 HA CYS 36 -3.514 14.517 -1.335
265 HB2 CYS 36 2HB CYS 36 -2.521 13.316 -3.214
266 HB3 CYS 36 1HB CYS 36 -3.203 14.529 -4.294
267 H HIS 37 H HIS 37 -4.303 16.202 -0.533
268 HA HIS 37 HA HIS 37 -4.615 18.494 -2.326
269 HB2 HIS 37 2HB HIS 37 -5.996 18.290 0.358
270 HB3 HIS 37 1HB HIS 37 -6.407 19.324 -1.002
271 HD1 HIS 37 1HD HIS 37 -7.351 16.189 0.612
272 HD2 HIS 37 2HD HIS 37 -7.610 17.805 -3.187
273 HE1 HIS 37 1HE HIS 37 -9.011 14.757 -0.625
274 H CYS 38 H CYS 38 -2.193 18.498 -1.936
275 HA CYS 38 HA CYS 38 -0.954 18.581 0.522
276 HB2 CYS 38 2HB CYS 38 0.260 18.698 -1.634
277 HB3 CYS 38 1HB CYS 38 -0.187 20.394 -1.770
278 H ARG 39 H ARG 39 -0.789 19.754 2.184
279 HA ARG 39 HA ARG 39 -2.934 21.251 2.575
280 HB2 ARG 39 2HB ARG 39 -1.998 21.864 4.845
281 HB3 ARG 39 1HB ARG 39 -1.992 20.157 4.448
282 HG2 ARG 39 2HG ARG 39 0.371 20.225 3.978
283 HG3 ARG 39 1HG ARG 39 0.397 21.971 4.211
284 HD2 ARG 39 2HD ARG 39 -0.358 19.969 6.336
285 HD3 ARG 39 1HD ARG 39 1.244 20.683 6.164
286 HE ARG 39 HE ARG 39 -0.538 22.785 6.298
287 HH11 ARG 39 1HH1 ARG 39 0.443 20.127 8.448
288 HH12 ARG 39 2HH1 ARG 39 0.190 20.992 9.874
289 HH21 ARG 39 1HH2 ARG 39 -0.878 23.986 8.294
290 HH22 ARG 39 2HH2 ARG 39 -0.577 23.255 9.787
Start of MODEL 9
1 H1 HIS 1 H HIS 1 24.062 11.473 -6.973
2 HA HIS 1 HA HIS 1 23.792 14.021 -7.467
3 HB2 HIS 1 2HB HIS 1 21.485 14.457 -8.327
4 HB3 HIS 1 1HB HIS 1 22.520 13.704 -9.525
5 HD1 HIS 1 1HD HIS 1 19.210 13.435 -8.091
6 HD2 HIS 1 2HD HIS 1 21.977 10.792 -9.689
7 HE1 HIS 1 1HE HIS 1 17.918 11.364 -8.696
8 H GLY 2 H GLY 2 23.820 14.407 -5.387
9 HA2 GLY 2 2HA GLY 2 22.808 14.836 -3.335
10 HA3 GLY 2 1HA GLY 2 21.437 13.857 -3.835
11 H GLU 3 H GLU 3 22.327 13.506 -1.338
12 HA GLU 3 HA GLU 3 24.036 11.149 -1.462
13 HB2 GLU 3 2HB GLU 3 24.159 11.304 0.990
14 HB3 GLU 3 1HB GLU 3 24.692 12.780 0.203
15 HG2 GLU 3 2HG GLU 3 22.592 13.851 0.728
16 HG3 GLU 3 1HG GLU 3 21.986 12.352 1.437
17 H GLY 4 H GLY 4 20.806 12.081 -1.171
18 HA2 GLY 4 2HA GLY 4 19.856 9.710 0.124
19 HA3 GLY 4 1HA GLY 4 18.884 10.937 -0.691
20 H THR 5 H THR 5 19.835 7.814 -0.848
21 HA THR 5 HA THR 5 19.991 7.733 -3.741
22 HB THR 5 HB THR 5 20.273 5.488 -1.739
23 HG1 THR 5 1HG THR 5 21.971 7.509 -2.549
24 HG21 THR 5 3HG2 THR 5 19.752 4.754 -4.039
25 HG22 THR 5 1HG2 THR 5 21.408 4.335 -3.593
26 HG23 THR 5 2HG2 THR 5 21.100 5.717 -4.645
27 H PHE 6 H PHE 6 18.040 7.786 -4.663
28 HA PHE 6 HA PHE 6 16.001 5.967 -3.645
29 HB2 PHE 6 2HB PHE 6 15.254 8.320 -3.655
30 HB3 PHE 6 1HB PHE 6 15.692 8.457 -5.348
31 HD1 PHE 6 1HD PHE 6 13.481 6.545 -3.051
32 HD2 PHE 6 2HD PHE 6 14.106 8.021 -6.992
33 HE1 PHE 6 1HE PHE 6 11.226 5.808 -3.679
34 HE2 PHE 6 2HE PHE 6 11.839 7.285 -7.622
35 HZ PHE 6 HZ PHE 6 10.404 6.180 -5.968
36 H THR 7 H THR 7 15.793 4.220 -4.793
37 HA THR 7 HA THR 7 16.278 4.360 -7.655
38 HB THR 7 HB THR 7 17.183 2.077 -5.860
39 HG1 THR 7 1HG THR 7 18.229 4.470 -6.335
40 HG21 THR 7 3HG2 THR 7 18.443 1.368 -7.858
41 HG22 THR 7 1HG2 THR 7 17.812 2.750 -8.743
42 HG23 THR 7 2HG2 THR 7 16.720 1.467 -8.223
43 H SER 8 H SER 8 14.839 3.085 -8.815
44 HA SER 8 HA SER 8 12.303 2.670 -7.782
45 HB2 SER 8 2HB SER 8 13.547 1.306 -10.173
46 HB3 SER 8 1HB SER 8 11.829 1.625 -9.911
47 HG SER 8 HG SER 8 13.906 3.342 -10.622
48 H ASP 9 H ASP 9 11.555 1.144 -6.444
49 HA ASP 9 HA ASP 9 11.024 -0.879 -5.535
50 HB2 ASP 9 2HB ASP 9 11.226 -1.828 -7.814
51 HB3 ASP 9 1HB ASP 9 12.941 -2.078 -7.548
52 H LEU 10 H LEU 10 13.796 0.640 -5.211
53 HA LEU 10 HA LEU 10 15.523 -1.181 -3.856
54 HB2 LEU 10 2HB LEU 10 16.526 0.763 -4.587
55 HB3 LEU 10 1HB LEU 10 15.299 1.806 -3.890
56 HG LEU 10 HG LEU 10 16.174 1.142 -1.633
57 HD11 LEU 10 1HD1 LEU 10 18.394 -0.088 -3.219
58 HD12 LEU 10 2HD1 LEU 10 17.255 -0.883 -2.116
59 HD13 LEU 10 3HD1 LEU 10 18.441 0.255 -1.484
60 HD21 LEU 10 3HD2 LEU 10 18.042 2.580 -3.508
61 HD22 LEU 10 1HD2 LEU 10 18.132 2.619 -1.738
62 HD23 LEU 10 2HD2 LEU 10 16.711 3.256 -2.556
63 H SER 11 H SER 11 13.076 1.060 -2.710
64 HA SER 11 HA SER 11 13.631 0.328 0.000
65 HB2 SER 11 2HB SER 11 13.115 2.655 -0.641
66 HB3 SER 11 1HB SER 11 11.539 2.155 -1.227
67 HG SER 11 HG SER 11 12.359 1.800 1.467
68 H LYS 12 H LYS 12 11.752 -0.600 -2.631
69 HA LYS 12 HA LYS 12 9.914 -1.754 -3.054
70 HB2 LYS 12 2HB LYS 12 11.650 -3.404 -2.604
71 HB3 LYS 12 1HB LYS 12 11.028 -3.576 -0.961
72 HG2 LYS 12 2HG LYS 12 8.846 -4.267 -1.895
73 HG3 LYS 12 1HG LYS 12 9.541 -4.199 -3.516
74 HD2 LYS 12 2HD LYS 12 11.199 -5.838 -2.825
75 HD3 LYS 12 1HD LYS 12 10.408 -5.945 -1.245
76 HE2 LYS 12 2HE LYS 12 9.157 -6.606 -3.917
77 HE3 LYS 12 1HE LYS 12 9.700 -7.789 -2.731
78 HZ1 LYS 12 3HZ LYS 12 7.327 -7.493 -2.592
79 HZ2 LYS 12 1HZ LYS 12 7.464 -5.836 -2.353
80 HZ3 LYS 12 2HZ LYS 12 8.008 -6.916 -1.191
81 H GLN 13 H GLN 13 8.918 -0.008 -2.015
82 HA GLN 13 HA GLN 13 7.138 -0.934 0.123
83 HB2 GLN 13 2HB GLN 13 8.012 1.868 -0.566
84 HB3 GLN 13 1HB GLN 13 6.590 1.556 0.409
85 HG2 GLN 13 2HG GLN 13 8.066 0.323 2.018
86 HG3 GLN 13 1HG GLN 13 9.449 0.857 1.065
87 HE21 GLN 13 1HE2 GLN 13 10.131 2.966 1.244
88 HE22 GLN 13 2HE2 GLN 13 9.452 4.095 2.370
89 H MET 14 H MET 14 4.926 -0.483 -0.092
90 HA MET 14 HA MET 14 3.889 -0.951 -2.654
91 HB2 MET 14 2HB MET 14 2.456 0.174 -0.228
92 HB3 MET 14 1HB MET 14 1.675 -0.449 -1.660
93 HG2 MET 14 2HG MET 14 1.500 -2.089 0.042
94 HG3 MET 14 1HG MET 14 2.648 -2.683 -1.146
95 HE1 MET 14 3HE MET 14 3.184 0.002 1.728
96 HE2 MET 14 1HE MET 14 3.785 -1.033 3.021
97 HE3 MET 14 2HE MET 14 2.130 -1.215 2.446
98 H GLU 15 H GLU 15 3.285 0.438 -4.226
99 HA GLU 15 HA GLU 15 3.769 3.252 -3.868
100 HB2 GLU 15 2HB GLU 15 3.612 1.494 -6.056
101 HB3 GLU 15 1HB GLU 15 2.218 2.548 -6.232
102 HG2 GLU 15 2HG GLU 15 5.077 3.441 -5.971
103 HG3 GLU 15 1HG GLU 15 4.148 3.387 -7.464
104 H GLU 16 H GLU 16 2.433 3.638 -2.200
105 HA GLU 16 HA GLU 16 -0.351 2.834 -2.312
106 HB2 GLU 16 2HB GLU 16 1.172 2.047 -0.526
107 HB3 GLU 16 1HB GLU 16 1.400 3.699 -0.014
108 HG2 GLU 16 2HG GLU 16 -0.923 3.827 0.663
109 HG3 GLU 16 1HG GLU 16 -1.205 2.192 0.058
110 H GLU 17 H GLU 17 -1.929 4.259 -1.261
111 HA GLU 17 HA GLU 17 -2.151 6.747 -2.258
112 HB2 GLU 17 2HB GLU 17 -4.035 6.846 -0.642
113 HB3 GLU 17 1HB GLU 17 -4.047 5.399 -1.642
114 HG2 GLU 17 2HG GLU 17 -3.063 4.118 0.208
115 HG3 GLU 17 1HG GLU 17 -3.076 5.573 1.201
116 H ALA 18 H ALA 18 -2.154 8.396 -1.287
117 HA ALA 18 HA ALA 18 -1.333 10.334 -0.282
118 HB1 ALA 18 1HB ALA 18 -0.942 10.369 2.132
119 HB2 ALA 18 2HB ALA 18 -0.921 8.612 2.170
120 HB3 ALA 18 3HB ALA 18 -2.413 9.465 1.756
121 H VAL 19 H VAL 19 0.666 7.816 -1.016
122 HA VAL 19 HA VAL 19 3.102 9.241 -0.288
123 HB VAL 19 HB VAL 19 2.767 6.828 -2.122
124 HG11 VAL 19 1HG1 VAL 19 5.141 6.423 -1.653
125 HG12 VAL 19 2HG1 VAL 19 5.185 7.895 -0.678
126 HG13 VAL 19 3HG1 VAL 19 4.871 7.994 -2.411
127 HG21 VAL 19 3HG2 VAL 19 3.380 6.871 0.829
128 HG22 VAL 19 1HG2 VAL 19 3.433 5.440 -0.205
129 HG23 VAL 19 2HG2 VAL 19 1.904 6.275 0.069
130 H ARG 20 H ARG 20 1.121 8.327 -2.932
131 HA ARG 20 HA ARG 20 2.258 9.866 -4.985
132 HB2 ARG 20 2HB ARG 20 -0.310 8.499 -4.500
133 HB3 ARG 20 1HB ARG 20 -0.273 9.646 -5.814
134 HG2 ARG 20 2HG ARG 20 1.669 7.358 -5.516
135 HG3 ARG 20 1HG ARG 20 0.148 7.223 -6.391
136 HD2 ARG 20 2HD ARG 20 2.049 7.634 -7.907
137 HD3 ARG 20 1HD ARG 20 0.865 8.928 -7.970
138 HE ARG 20 HE ARG 20 2.405 10.379 -7.105
139 HH11 ARG 20 1HH1 ARG 20 3.718 7.095 -6.801
140 HH12 ARG 20 2HH1 ARG 20 5.325 7.606 -6.657
141 HH21 ARG 20 1HH2 ARG 20 4.694 11.081 -6.908
142 HH22 ARG 20 2HH2 ARG 20 5.889 9.888 -6.730
143 H CYS 21 H CYS 21 0.755 10.866 -2.246
144 HA CYS 21 HA CYS 21 0.066 13.437 -3.480
145 HB2 CYS 21 2HB CYS 21 -1.800 12.646 -2.174
146 HB3 CYS 21 1HB CYS 21 -0.758 12.299 -0.797
147 H PHE 22 H PHE 22 1.898 11.926 -0.895
148 HA PHE 22 HA PHE 22 2.754 14.038 0.574
149 HB2 PHE 22 2HB PHE 22 2.920 11.540 0.908
150 HB3 PHE 22 1HB PHE 22 4.386 11.617 -0.046
151 HD1 PHE 22 2HD PHE 22 6.346 12.904 0.846
152 HD2 PHE 22 1HD PHE 22 2.829 12.162 3.099
153 HE1 PHE 22 2HE PHE 22 7.567 13.432 2.879
154 HE2 PHE 22 1HE PHE 22 3.989 12.670 5.147
155 HZ PHE 22 HZ PHE 22 6.397 13.324 5.087
156 H ILE 23 H ILE 23 4.862 12.405 -1.821
157 HA ILE 23 HA ILE 23 6.873 14.402 -1.610
158 HB ILE 23 HB ILE 23 6.577 12.285 -3.786
159 HG12 ILE 23 2HG1 ILE 23 8.498 11.179 -2.552
160 HG13 ILE 23 1HG1 ILE 23 8.188 12.322 -1.244
161 HG21 ILE 23 1HG2 ILE 23 7.997 14.117 -4.537
162 HG22 ILE 23 2HG2 ILE 23 8.966 12.664 -4.239
163 HG23 ILE 23 3HG2 ILE 23 8.954 13.976 -3.060
164 HD11 ILE 23 3HD1 ILE 23 7.262 10.096 -0.828
165 HD12 ILE 23 1HD1 ILE 23 6.238 10.268 -2.258
166 HD13 ILE 23 2HD1 ILE 23 6.042 11.365 -0.881
167 H GLU 24 H GLU 24 4.327 13.829 -3.762
168 HA GLU 24 HA GLU 24 4.797 15.635 -5.869
169 HB2 GLU 24 2HB GLU 24 2.115 15.075 -4.613
170 HB3 GLU 24 1HB GLU 24 2.431 15.579 -6.261
171 HG2 GLU 24 2HG GLU 24 3.235 12.951 -5.077
172 HG3 GLU 24 1HG GLU 24 1.782 13.231 -6.000
173 H CYS 25 H CYS 25 2.971 16.012 -2.885
174 HA CYS 25 HA CYS 25 2.234 18.698 -3.235
175 HB2 CYS 25 2HB CYS 25 0.984 17.307 -1.820
176 HB3 CYS 25 1HB CYS 25 2.367 16.962 -0.785
177 H LEU 26 H LEU 26 5.055 17.210 -1.876
178 HA LEU 26 HA LEU 26 6.024 19.341 -0.370
179 HB2 LEU 26 2HB LEU 26 7.471 17.181 -1.844
180 HB3 LEU 26 1HB LEU 26 8.291 18.298 -0.759
181 HG LEU 26 HG LEU 26 6.178 16.258 -0.028
182 HD11 LEU 26 1HD1 LEU 26 7.971 15.176 1.204
183 HD12 LEU 26 2HD1 LEU 26 9.103 16.411 0.658
184 HD13 LEU 26 3HD1 LEU 26 8.377 15.307 -0.509
185 HD21 LEU 26 3HD2 LEU 26 5.938 18.229 1.381
186 HD22 LEU 26 1HD2 LEU 26 7.667 18.206 1.735
187 HD23 LEU 26 2HD2 LEU 26 6.633 16.898 2.303
188 H LYS 27 H LYS 27 5.883 19.044 -3.817
189 HA LYS 27 HA LYS 27 7.872 21.186 -4.098
190 HB2 LYS 27 2HB LYS 27 7.734 20.887 -6.495
191 HB3 LYS 27 1HB LYS 27 8.035 19.344 -5.687
192 HG2 LYS 27 2HG LYS 27 5.692 18.765 -6.001
193 HG3 LYS 27 1HG LYS 27 5.428 20.313 -6.810
194 HD2 LYS 27 2HD LYS 27 7.034 19.705 -8.520
195 HD3 LYS 27 1HD LYS 27 7.332 18.165 -7.703
196 HE2 LYS 27 2HE LYS 27 5.005 17.533 -8.043
197 HE3 LYS 27 1HE LYS 27 4.693 19.076 -8.831
198 HZ1 LYS 27 3HZ LYS 27 5.042 17.288 -10.415
199 HZ2 LYS 27 1HZ LYS 27 6.574 17.004 -9.806
200 HZ3 LYS 27 2HZ LYS 27 6.240 18.465 -10.580
201 H GLY 28 H GLY 28 4.671 20.907 -3.621
202 HA2 GLY 28 2HA GLY 28 3.386 22.879 -3.227
203 HA3 GLY 28 1HA GLY 28 4.250 23.674 -4.525
204 H ILE 29 H ILE 29 2.376 20.618 -4.307
205 HA ILE 29 HA ILE 29 0.672 21.822 -6.207
206 HB ILE 29 HB ILE 29 0.272 19.762 -7.413
207 HG12 ILE 29 2HG1 ILE 29 1.989 17.794 -7.058
208 HG13 ILE 29 1HG1 ILE 29 2.103 18.441 -5.429
209 HG21 ILE 29 1HG2 ILE 29 3.201 20.317 -7.309
210 HG22 ILE 29 2HG2 ILE 29 1.982 21.090 -8.323
211 HG23 ILE 29 3HG2 ILE 29 2.384 19.389 -8.569
212 HD11 ILE 29 3HD1 ILE 29 -0.384 17.427 -6.792
213 HD12 ILE 29 1HD1 ILE 29 -0.347 18.127 -5.182
214 HD13 ILE 29 2HD1 ILE 29 0.502 16.612 -5.501
215 H GLY 30 H GLY 30 -0.968 21.958 -5.486
216 HA2 GLY 30 2HA GLY 30 -2.007 20.929 -3.039
217 HA3 GLY 30 1HA GLY 30 -2.962 21.813 -4.215
218 H HIS 31 H HIS 31 -4.717 20.691 -4.558
219 HA HIS 31 HA HIS 31 -4.819 17.833 -4.222
220 HB2 HIS 31 2HB HIS 31 -7.035 19.637 -5.223
221 HB3 HIS 31 1HB HIS 31 -7.201 17.972 -4.707
222 HD1 HIS 31 1HD HIS 31 -6.619 17.628 -1.978
223 HD2 HIS 31 2HD HIS 31 -7.562 21.432 -3.360
224 HE1 HIS 31 1HE HIS 31 -7.391 18.935 0.041
225 H LYS 32 H LYS 32 -3.371 17.237 -5.891
226 HA LYS 32 HA LYS 32 -4.492 17.391 -8.604
227 HB2 LYS 32 2HB LYS 32 -2.090 17.982 -8.267
228 HB3 LYS 32 1HB LYS 32 -1.810 16.338 -7.705
229 HG2 LYS 32 2HG LYS 32 -2.378 15.464 -9.878
230 HG3 LYS 32 1HG LYS 32 -2.753 17.087 -10.462
231 HD2 LYS 32 2HD LYS 32 -0.423 17.746 -10.120
232 HD3 LYS 32 1HD LYS 32 -0.062 16.143 -9.484
233 HE2 LYS 32 2HE LYS 32 -1.105 16.668 -12.262
234 HE3 LYS 32 1HE LYS 32 0.599 16.479 -11.875
235 HZ1 LYS 32 3HZ LYS 32 0.159 14.235 -11.118
236 HZ2 LYS 32 1HZ LYS 32 -0.388 14.425 -12.689
237 HZ3 LYS 32 2HZ LYS 32 -1.490 14.400 -11.423
238 H TYR 33 H TYR 33 -4.408 15.354 -5.981
239 HA TYR 33 HA TYR 33 -5.192 13.030 -7.605
240 HB2 TYR 33 2HB TYR 33 -3.444 12.994 -5.123
241 HB3 TYR 33 1HB TYR 33 -4.069 11.564 -5.920
242 HD1 TYR 33 1HD TYR 33 -1.753 14.429 -6.265
243 HD2 TYR 33 2HD TYR 33 -2.938 10.652 -7.841
244 HE1 TYR 33 1HE TYR 33 0.231 14.407 -7.662
245 HE2 TYR 33 2HE TYR 33 -0.942 10.618 -9.250
246 HH TYR 33 HH TYR 33 1.629 12.882 -8.823
247 HA PRO 34 HA PRO 34 -8.958 13.040 -5.335
248 HB2 PRO 34 2HB PRO 34 -9.061 10.282 -4.716
249 HB3 PRO 34 1HB PRO 34 -9.731 11.048 -6.152
250 HG2 PRO 34 2HG PRO 34 -7.144 9.631 -5.806
251 HG3 PRO 34 1HG PRO 34 -8.223 9.682 -7.210
252 HD2 PRO 34 2HD PRO 34 -5.953 11.062 -7.174
253 HD3 PRO 34 1HD PRO 34 -7.421 11.752 -7.895
254 H PHE 35 H PHE 35 -6.464 11.029 -3.932
255 HA PHE 35 HA PHE 35 -7.460 11.309 -1.221
256 HB2 PHE 35 2HB PHE 35 -5.498 9.754 -0.752
257 HB3 PHE 35 1HB PHE 35 -6.789 9.130 -1.778
258 HD1 PHE 35 2HD PHE 35 -3.334 10.377 -1.742
259 HD2 PHE 35 1HD PHE 35 -6.433 8.639 -4.056
260 HE1 PHE 35 2HE PHE 35 -1.727 9.904 -3.548
261 HE2 PHE 35 1HE PHE 35 -4.894 8.174 -5.841
262 HZ PHE 35 HZ PHE 35 -2.502 8.791 -5.618
263 H CYS 36 H CYS 36 -5.849 13.403 -2.973
264 HA CYS 36 HA CYS 36 -3.680 13.741 -1.080
265 HB2 CYS 36 2HB CYS 36 -3.107 13.794 -3.453
266 HB3 CYS 36 1HB CYS 36 -4.084 15.245 -3.682
267 H HIS 37 H HIS 37 -4.346 14.606 0.637
268 HA HIS 37 HA HIS 37 -6.103 16.928 0.614
269 HB2 HIS 37 2HB HIS 37 -6.046 16.525 3.148
270 HB3 HIS 37 1HB HIS 37 -6.844 15.307 2.162
271 HD1 HIS 37 1HD HIS 37 -6.000 12.944 2.405
272 HD2 HIS 37 2HD HIS 37 -3.393 15.723 4.050
273 HE1 HIS 37 1HE HIS 37 -4.195 11.601 3.552
274 H CYS 38 H CYS 38 -2.897 16.422 0.394
275 HA CYS 38 HA CYS 38 -1.953 18.319 2.332
276 HB2 CYS 38 2HB CYS 38 -0.570 16.389 1.606
277 HB3 CYS 38 1HB CYS 38 -0.536 17.040 -0.024
278 H ARG 39 H ARG 39 -1.121 20.388 1.857
279 HA ARG 39 HA ARG 39 -2.199 21.585 -0.601
280 HB2 ARG 39 2HB ARG 39 -2.080 22.692 2.204
281 HB3 ARG 39 1HB ARG 39 -2.525 23.634 0.784
282 HG2 ARG 39 2HG ARG 39 -4.473 22.340 0.430
283 HG3 ARG 39 1HG ARG 39 -3.984 21.144 1.628
284 HD2 ARG 39 2HD ARG 39 -4.598 24.030 2.230
285 HD3 ARG 39 1HD ARG 39 -5.756 22.712 2.399
286 HE ARG 39 HE ARG 39 -3.412 22.068 3.773
287 HH11 ARG 39 1HH1 ARG 39 -6.193 24.238 4.078
288 HH12 ARG 39 2HH1 ARG 39 -6.105 24.314 5.772
289 HH21 ARG 39 1HH2 ARG 39 -3.353 22.116 6.074
290 HH22 ARG 39 2HH2 ARG 39 -4.475 23.072 6.938
Start of MODEL 10
1 H1 HIS 1 H HIS 1 7.031 1.941 26.132
2 HA HIS 1 HA HIS 1 7.929 2.777 23.843
3 HB2 HIS 1 2HB HIS 1 8.120 -0.239 23.657
4 HB3 HIS 1 1HB HIS 1 8.163 0.836 22.274
5 HD1 HIS 1 1HD HIS 1 10.370 2.357 22.054
6 HD2 HIS 1 2HD HIS 1 10.438 -0.594 24.978
7 HE1 HIS 1 1HE HIS 1 12.776 2.117 22.732
8 H GLY 2 H GLY 2 5.906 0.302 25.172
9 HA2 GLY 2 2HA GLY 2 3.583 0.102 25.061
10 HA3 GLY 2 1HA GLY 2 3.554 1.422 23.893
11 H GLU 3 H GLU 3 2.065 -0.971 23.552
12 HA GLU 3 HA GLU 3 3.622 -2.445 21.592
13 HB2 GLU 3 2HB GLU 3 0.824 -2.918 22.571
14 HB3 GLU 3 1HB GLU 3 1.673 -3.921 21.407
15 HG2 GLU 3 2HG GLU 3 3.398 -4.340 23.157
16 HG3 GLU 3 1HG GLU 3 2.337 -3.512 24.300
17 H GLY 4 H GLY 4 3.753 -1.644 19.683
18 HA2 GLY 4 2HA GLY 4 2.320 -1.504 17.629
19 HA3 GLY 4 1HA GLY 4 1.383 -0.326 18.549
20 H THR 5 H THR 5 2.811 -0.012 16.077
21 HA THR 5 HA THR 5 4.285 2.314 16.928
22 HB THR 5 HB THR 5 5.360 0.306 14.918
23 HG1 THR 5 1HG THR 5 5.520 0.528 17.584
24 HG21 THR 5 3HG2 THR 5 6.599 2.843 16.035
25 HG22 THR 5 1HG2 THR 5 5.968 2.658 14.398
26 HG23 THR 5 2HG2 THR 5 7.371 1.724 14.915
27 H PHE 6 H PHE 6 3.496 3.961 15.907
28 HA PHE 6 HA PHE 6 1.685 3.761 13.724
29 HB2 PHE 6 2HB PHE 6 1.584 5.612 15.358
30 HB3 PHE 6 1HB PHE 6 3.175 6.153 14.850
31 HD1 PHE 6 1HD PHE 6 -0.368 5.914 13.904
32 HD2 PHE 6 2HD PHE 6 3.461 7.453 12.858
33 HE1 PHE 6 1HE PHE 6 -1.417 7.395 12.257
34 HE2 PHE 6 2HE PHE 6 2.410 8.932 11.203
35 HZ PHE 6 HZ PHE 6 -0.022 8.910 10.905
36 H THR 7 H THR 7 2.259 3.475 11.662
37 HA THR 7 HA THR 7 5.062 3.983 10.991
38 HB THR 7 HB THR 7 3.297 1.829 9.813
39 HG1 THR 7 1HG THR 7 3.845 1.817 12.203
40 HG21 THR 7 3HG2 THR 7 5.316 2.508 8.521
41 HG22 THR 7 1HG2 THR 7 5.436 0.857 9.133
42 HG23 THR 7 2HG2 THR 7 6.302 2.160 9.940
43 H SER 8 H SER 8 4.994 5.841 9.830
44 HA SER 8 HA SER 8 3.638 5.698 7.279
45 HB2 SER 8 2HB SER 8 3.488 8.086 9.148
46 HB3 SER 8 1HB SER 8 2.892 8.052 7.484
47 HG SER 8 HG SER 8 2.002 5.954 8.909
48 H ASP 9 H ASP 9 4.979 6.267 5.704
49 HA ASP 9 HA ASP 9 6.789 6.893 4.554
50 HB2 ASP 9 2HB ASP 9 6.652 9.156 5.381
51 HB3 ASP 9 1HB ASP 9 7.383 8.691 6.916
52 H LEU 10 H LEU 10 7.266 5.909 7.768
53 HA LEU 10 HA LEU 10 9.919 5.150 7.868
54 HB2 LEU 10 2HB LEU 10 8.199 5.182 9.699
55 HB3 LEU 10 1HB LEU 10 7.551 3.705 9.051
56 HG LEU 10 HG LEU 10 10.360 3.928 10.175
57 HD11 LEU 10 1HD1 LEU 10 8.733 4.492 11.887
58 HD12 LEU 10 2HD1 LEU 10 9.438 2.907 12.194
59 HD13 LEU 10 3HD1 LEU 10 7.815 3.032 11.519
60 HD21 LEU 10 3HD2 LEU 10 10.209 1.500 10.377
61 HD22 LEU 10 1HD2 LEU 10 9.966 1.985 8.698
62 HD23 LEU 10 2HD2 LEU 10 8.583 1.522 9.692
63 H SER 11 H SER 11 7.135 3.210 6.685
64 HA SER 11 HA SER 11 9.138 1.532 5.357
65 HB2 SER 11 2HB SER 11 7.279 -0.146 5.187
66 HB3 SER 11 1HB SER 11 7.736 0.248 6.844
67 HG SER 11 HG SER 11 5.444 0.203 6.345
68 H LYS 12 H LYS 12 6.696 3.865 4.917
69 HA LYS 12 HA LYS 12 5.670 4.871 3.195
70 HB2 LYS 12 2HB LYS 12 8.067 5.208 2.636
71 HB3 LYS 12 1HB LYS 12 8.017 3.766 1.642
72 HG2 LYS 12 2HG LYS 12 6.423 4.840 0.155
73 HG3 LYS 12 1HG LYS 12 6.445 6.284 1.174
74 HD2 LYS 12 2HD LYS 12 8.815 6.509 0.799
75 HD3 LYS 12 1HD LYS 12 8.783 5.064 -0.218
76 HE2 LYS 12 2HE LYS 12 7.307 6.152 -1.803
77 HE3 LYS 12 1HE LYS 12 7.188 7.573 -0.767
78 HZ1 LYS 12 3HZ LYS 12 9.525 8.008 -1.165
79 HZ2 LYS 12 1HZ LYS 12 8.677 7.926 -2.613
80 HZ3 LYS 12 2HZ LYS 12 9.666 6.642 -2.127
81 H GLN 13 H GLN 13 5.226 1.977 3.699
82 HA GLN 13 HA GLN 13 4.607 0.806 1.138
83 HB2 GLN 13 2HB GLN 13 4.277 -0.203 3.902
84 HB3 GLN 13 1HB GLN 13 3.774 -1.128 2.493
85 HG2 GLN 13 2HG GLN 13 6.575 -0.207 3.124
86 HG3 GLN 13 1HG GLN 13 5.962 -1.856 3.264
87 HE21 GLN 13 1HE2 GLN 13 7.013 0.631 1.117
88 HE22 GLN 13 2HE2 GLN 13 7.100 -0.334 -0.310
89 H MET 14 H MET 14 2.865 2.691 3.280
90 HA MET 14 HA MET 14 0.277 1.723 2.867
91 HB2 MET 14 2HB MET 14 -0.581 4.056 3.212
92 HB3 MET 14 1HB MET 14 0.543 3.525 4.450
93 HG2 MET 14 2HG MET 14 2.303 4.832 3.430
94 HG3 MET 14 1HG MET 14 1.211 5.322 2.139
95 HE1 MET 14 3HE MET 14 0.119 4.965 5.926
96 HE2 MET 14 1HE MET 14 0.565 6.551 6.547
97 HE3 MET 14 2HE MET 14 1.819 5.423 6.026
98 H GLU 15 H GLU 15 2.099 3.991 0.887
99 HA GLU 15 HA GLU 15 2.215 4.413 -1.273
100 HB2 GLU 15 2HB GLU 15 2.371 1.965 -1.348
101 HB3 GLU 15 1HB GLU 15 0.647 1.878 -1.631
102 HG2 GLU 15 2HG GLU 15 0.884 2.923 -3.762
103 HG3 GLU 15 1HG GLU 15 2.590 3.263 -3.451
104 H GLU 16 H GLU 16 -1.061 3.372 -0.581
105 HA GLU 16 HA GLU 16 -2.571 4.335 -2.590
106 HB2 GLU 16 2HB GLU 16 -4.429 4.540 -0.911
107 HB3 GLU 16 1HB GLU 16 -3.566 3.014 -0.887
108 HG2 GLU 16 2HG GLU 16 -2.280 3.810 1.068
109 HG3 GLU 16 1HG GLU 16 -3.218 5.299 1.041
110 H GLU 17 H GLU 17 -1.706 6.394 0.284
111 HA GLU 17 HA GLU 17 -2.003 8.669 -1.337
112 HB2 GLU 17 2HB GLU 17 -4.117 8.859 -0.432
113 HB3 GLU 17 1HB GLU 17 -3.748 7.797 0.887
114 HG2 GLU 17 2HG GLU 17 -4.287 9.942 1.801
115 HG3 GLU 17 1HG GLU 17 -2.563 9.641 1.984
116 H ALA 18 H ALA 18 -1.088 10.306 -0.256
117 HA ALA 18 HA ALA 18 0.571 11.458 0.514
118 HB1 ALA 18 1HB ALA 18 -0.416 10.926 2.674
119 HB2 ALA 18 2HB ALA 18 1.328 11.146 2.817
120 HB3 ALA 18 3HB ALA 18 0.640 9.520 2.825
121 H VAL 19 H VAL 19 1.080 8.575 -0.635
122 HA VAL 19 HA VAL 19 3.998 8.823 -0.626
123 HB VAL 19 HB VAL 19 2.224 6.484 -1.412
124 HG11 VAL 19 1HG1 VAL 19 4.309 5.229 -1.790
125 HG12 VAL 19 2HG1 VAL 19 5.235 6.701 -1.485
126 HG13 VAL 19 3HG1 VAL 19 4.174 6.603 -2.891
127 HG21 VAL 19 3HG2 VAL 19 4.212 6.843 0.824
128 HG22 VAL 19 1HG2 VAL 19 3.343 5.350 0.465
129 HG23 VAL 19 2HG2 VAL 19 2.458 6.789 0.981
130 H ARG 20 H ARG 20 1.229 8.156 -2.683
131 HA ARG 20 HA ARG 20 2.358 8.743 -5.186
132 HB2 ARG 20 2HB ARG 20 -0.461 9.034 -4.193
133 HB3 ARG 20 1HB ARG 20 -0.039 9.109 -5.878
134 HG2 ARG 20 2HG ARG 20 0.192 6.745 -4.029
135 HG3 ARG 20 1HG ARG 20 -0.966 6.978 -5.338
136 HD2 ARG 20 2HD ARG 20 0.888 6.946 -6.956
137 HD3 ARG 20 1HD ARG 20 2.019 6.664 -5.629
138 HE ARG 20 HE ARG 20 -0.052 4.786 -5.567
139 HH11 ARG 20 1HH1 ARG 20 2.867 5.501 -7.446
140 HH12 ARG 20 2HH1 ARG 20 3.136 3.872 -7.864
141 HH21 ARG 20 1HH2 ARG 20 0.301 2.608 -6.213
142 HH22 ARG 20 2HH2 ARG 20 1.658 2.203 -7.161
143 H CYS 21 H CYS 21 1.146 10.733 -2.647
144 HA CYS 21 HA CYS 21 1.240 13.083 -4.370
145 HB2 CYS 21 2HB CYS 21 -0.943 12.636 -3.243
146 HB3 CYS 21 1HB CYS 21 -0.148 12.823 -1.686
147 H PHE 22 H PHE 22 3.273 11.484 -2.421
148 HA PHE 22 HA PHE 22 3.832 13.238 -0.311
149 HB2 PHE 22 2HB PHE 22 4.555 10.881 -0.332
150 HB3 PHE 22 1HB PHE 22 5.790 11.281 -1.524
151 HD1 PHE 22 2HD PHE 22 4.631 11.822 1.872
152 HD2 PHE 22 1HD PHE 22 7.821 12.395 -0.858
153 HE1 PHE 22 2HE PHE 22 6.074 12.542 3.729
154 HE2 PHE 22 1HE PHE 22 9.284 13.130 0.976
155 HZ PHE 22 HZ PHE 22 8.404 13.211 3.284
156 H ILE 23 H ILE 23 5.797 12.786 -3.248
157 HA ILE 23 HA ILE 23 7.507 14.957 -2.549
158 HB ILE 23 HB ILE 23 7.231 13.510 -5.223
159 HG12 ILE 23 2HG1 ILE 23 9.517 12.599 -4.563
160 HG13 ILE 23 1HG1 ILE 23 9.178 13.234 -2.954
161 HG21 ILE 23 1HG2 ILE 23 8.131 15.737 -5.586
162 HG22 ILE 23 2HG2 ILE 23 9.377 14.513 -5.846
163 HG23 ILE 23 3HG2 ILE 23 9.359 15.451 -4.352
164 HD11 ILE 23 3HD1 ILE 23 7.223 11.757 -2.828
165 HD12 ILE 23 1HD1 ILE 23 8.732 10.870 -3.036
166 HD13 ILE 23 2HD1 ILE 23 7.645 11.096 -4.406
167 H GLU 24 H GLU 24 4.789 14.493 -4.489
168 HA GLU 24 HA GLU 24 4.594 16.831 -5.990
169 HB2 GLU 24 2HB GLU 24 2.150 15.728 -4.657
170 HB3 GLU 24 1HB GLU 24 2.359 16.329 -6.294
171 HG2 GLU 24 2HG GLU 24 3.316 13.700 -5.228
172 HG3 GLU 24 1HG GLU 24 1.924 13.986 -6.244
173 H CYS 25 H CYS 25 3.192 16.092 -2.821
174 HA CYS 25 HA CYS 25 2.280 18.696 -2.169
175 HB2 CYS 25 2HB CYS 25 1.258 16.727 -1.239
176 HB3 CYS 25 1HB CYS 25 2.746 16.222 -0.479
177 H LEU 26 H LEU 26 5.229 16.959 -1.650
178 HA LEU 26 HA LEU 26 6.383 18.520 0.381
179 HB2 LEU 26 2HB LEU 26 7.090 16.241 -0.401
180 HB3 LEU 26 1HB LEU 26 7.740 16.997 -1.836
181 HG LEU 26 HG LEU 26 9.349 18.235 -0.401
182 HD11 LEU 26 1HD1 LEU 26 8.081 18.221 1.678
183 HD12 LEU 26 2HD1 LEU 26 9.663 17.470 1.901
184 HD13 LEU 26 3HD1 LEU 26 8.222 16.465 1.759
185 HD21 LEU 26 3HD2 LEU 26 10.754 16.286 0.073
186 HD22 LEU 26 1HD2 LEU 26 9.988 16.170 -1.513
187 HD23 LEU 26 2HD2 LEU 26 9.359 15.233 -0.160
188 H LYS 27 H LYS 27 6.019 18.929 -3.021
189 HA LYS 27 HA LYS 27 7.827 21.239 -3.023
190 HB2 LYS 27 2HB LYS 27 6.297 20.110 -5.371
191 HB3 LYS 27 1HB LYS 27 7.614 21.266 -5.430
192 HG2 LYS 27 2HG LYS 27 7.778 18.329 -4.752
193 HG3 LYS 27 1HG LYS 27 8.442 19.140 -6.164
194 HD2 LYS 27 2HD LYS 27 9.336 19.567 -3.307
195 HD3 LYS 27 1HD LYS 27 10.159 18.555 -4.486
196 HE2 LYS 27 2HE LYS 27 10.561 20.535 -5.886
197 HE3 LYS 27 1HE LYS 27 9.731 21.536 -4.697
198 HZ1 LYS 27 3HZ LYS 27 12.233 19.996 -4.230
199 HZ2 LYS 27 1HZ LYS 27 11.416 20.885 -3.064
200 HZ3 LYS 27 2HZ LYS 27 12.111 21.670 -4.375
201 H GLY 28 H GLY 28 4.561 20.405 -4.137
202 HA2 GLY 28 2HA GLY 28 2.882 21.993 -2.978
203 HA3 GLY 28 1HA GLY 28 3.710 23.210 -3.936
204 H ILE 29 H ILE 29 1.208 21.091 -3.843
205 HA ILE 29 HA ILE 29 0.762 21.560 -6.548
206 HB ILE 29 HB ILE 29 -0.137 19.269 -6.908
207 HG12 ILE 29 2HG1 ILE 29 1.055 17.458 -5.360
208 HG13 ILE 29 1HG1 ILE 29 0.980 18.757 -4.182
209 HG21 ILE 29 1HG2 ILE 29 1.986 19.819 -7.846
210 HG22 ILE 29 2HG2 ILE 29 1.967 18.128 -7.345
211 HG23 ILE 29 3HG2 ILE 29 2.796 19.336 -6.355
212 HD11 ILE 29 3HD1 ILE 29 -1.450 18.831 -4.461
213 HD12 ILE 29 1HD1 ILE 29 -0.885 17.242 -3.942
214 HD13 ILE 29 2HD1 ILE 29 -1.344 17.514 -5.625
215 H GLY 30 H GLY 30 -0.997 22.078 -6.731
216 HA2 GLY 30 2HA GLY 30 -2.981 22.596 -4.736
217 HA3 GLY 30 1HA GLY 30 -3.321 22.691 -6.460
218 H HIS 31 H HIS 31 -5.112 21.490 -6.815
219 HA HIS 31 HA HIS 31 -5.324 19.040 -5.249
220 HB2 HIS 31 2HB HIS 31 -7.281 20.679 -5.315
221 HB3 HIS 31 1HB HIS 31 -7.511 20.179 -6.984
222 HD1 HIS 31 1HD HIS 31 -9.919 19.314 -6.137
223 HD2 HIS 31 2HD HIS 31 -6.623 17.286 -4.617
224 HE1 HIS 31 1HE HIS 31 -10.813 17.218 -5.091
225 H LYS 32 H LYS 32 -3.915 17.781 -6.296
226 HA LYS 32 HA LYS 32 -4.481 17.221 -9.124
227 HB2 LYS 32 2HB LYS 32 -2.184 18.003 -8.650
228 HB3 LYS 32 1HB LYS 32 -1.948 16.633 -7.577
229 HG2 LYS 32 2HG LYS 32 -2.196 15.095 -9.456
230 HG3 LYS 32 1HG LYS 32 -2.482 16.454 -10.540
231 HD2 LYS 32 2HD LYS 32 -0.236 17.310 -10.041
232 HD3 LYS 32 1HD LYS 32 0.050 15.937 -8.973
233 HE2 LYS 32 2HE LYS 32 -0.510 15.775 -11.939
234 HE3 LYS 32 1HE LYS 32 1.076 15.627 -11.193
235 HZ1 LYS 32 3HZ LYS 32 0.077 13.497 -11.750
236 HZ2 LYS 32 1HZ LYS 32 -1.212 13.777 -10.721
237 HZ3 LYS 32 2HZ LYS 32 0.351 13.590 -10.098
238 H TYR 33 H TYR 33 -4.311 15.740 -5.950
239 HA TYR 33 HA TYR 33 -4.948 13.220 -7.266
240 HB2 TYR 33 2HB TYR 33 -3.485 13.565 -4.642
241 HB3 TYR 33 1HB TYR 33 -3.977 12.031 -5.321
242 HD1 TYR 33 2HD TYR 33 -1.745 14.928 -5.873
243 HD2 TYR 33 1HD TYR 33 -2.697 10.944 -6.988
244 HE1 TYR 33 2HE TYR 33 0.294 14.826 -7.181
245 HE2 TYR 33 1HE TYR 33 -0.643 10.814 -8.303
246 HH TYR 33 HH TYR 33 1.827 13.236 -8.214
247 HA PRO 34 HA PRO 34 -8.931 13.506 -5.492
248 HB2 PRO 34 2HB PRO 34 -9.560 10.837 -5.614
249 HB3 PRO 34 1HB PRO 34 -9.525 11.898 -7.030
250 HG2 PRO 34 2HG PRO 34 -7.448 10.009 -6.046
251 HG3 PRO 34 1HG PRO 34 -8.050 10.259 -7.692
252 HD2 PRO 34 2HD PRO 34 -5.743 11.340 -6.862
253 HD3 PRO 34 1HD PRO 34 -6.826 12.217 -7.971
254 H PHE 35 H PHE 35 -6.479 11.649 -4.071
255 HA PHE 35 HA PHE 35 -8.036 11.202 -1.618
256 HB2 PHE 35 2HB PHE 35 -6.179 9.535 -1.140
257 HB3 PHE 35 1HB PHE 35 -7.336 9.113 -2.398
258 HD1 PHE 35 2HD PHE 35 -3.805 10.301 -1.788
259 HD2 PHE 35 1HD PHE 35 -6.699 8.883 -4.607
260 HE1 PHE 35 2HE PHE 35 -2.101 9.993 -3.337
261 HE2 PHE 35 1HE PHE 35 -4.968 8.612 -6.252
262 HZ PHE 35 HZ PHE 35 -2.593 9.142 -5.660
263 H CYS 36 H CYS 36 -5.691 13.174 -2.890
264 HA CYS 36 HA CYS 36 -3.896 12.987 -0.679
265 HB2 CYS 36 2HB CYS 36 -2.928 13.408 -2.799
266 HB3 CYS 36 1HB CYS 36 -3.893 14.876 -3.019
267 H HIS 37 H HIS 37 -4.359 13.710 1.112
268 HA HIS 37 HA HIS 37 -5.814 16.238 1.352
269 HB2 HIS 37 2HB HIS 37 -5.319 14.016 3.327
270 HB3 HIS 37 1HB HIS 37 -5.852 15.605 3.862
271 HD1 HIS 37 1HD HIS 37 -8.349 15.799 4.054
272 HD2 HIS 37 2HD HIS 37 -7.188 12.963 1.249
273 HE1 HIS 37 1HE HIS 37 -10.472 14.797 3.167
274 H CYS 38 H CYS 38 -2.759 15.112 1.226
275 HA CYS 38 HA CYS 38 -1.459 16.830 3.087
276 HB2 CYS 38 2HB CYS 38 -0.390 14.808 2.002
277 HB3 CYS 38 1HB CYS 38 -0.322 15.726 0.505
278 H ARG 39 H ARG 39 -2.441 17.048 -0.043
279 HA ARG 39 HA ARG 39 -2.868 18.736 -1.597
280 HB2 ARG 39 2HB ARG 39 -2.675 20.695 0.702
281 HB3 ARG 39 1HB ARG 39 -3.483 20.899 -0.848
282 HG2 ARG 39 2HG ARG 39 -4.318 18.950 1.284
283 HG3 ARG 39 1HG ARG 39 -5.039 20.533 1.012
284 HD2 ARG 39 2HD ARG 39 -5.782 19.848 -1.185
285 HD3 ARG 39 1HD ARG 39 -4.966 18.292 -1.008
286 HE ARG 39 HE ARG 39 -6.592 18.475 1.157
287 HH11 ARG 39 1HH1 ARG 39 -7.314 18.689 -2.314
288 HH12 ARG 39 2HH1 ARG 39 -8.784 17.839 -2.170
289 HH21 ARG 39 1HH2 ARG 39 -8.610 17.388 1.314
290 HH22 ARG 39 2HH2 ARG 39 -9.549 17.125 -0.096
Start of MODEL 11
1 H1 HIS 1 H HIS 1 13.174 7.889 8.342
2 HA HIS 1 HA HIS 1 15.074 9.181 9.643
3 HB2 HIS 1 2HB HIS 1 16.226 6.546 8.702
4 HB3 HIS 1 1HB HIS 1 17.206 7.957 9.072
5 HD1 HIS 1 1HD HIS 1 18.100 7.952 11.408
6 HD2 HIS 1 2HD HIS 1 14.579 5.813 11.040
7 HE1 HIS 1 1HE HIS 1 17.685 6.941 13.671
8 H GLY 2 H GLY 2 16.546 10.272 8.262
9 HA2 GLY 2 2HA GLY 2 17.430 10.937 6.239
10 HA3 GLY 2 1HA GLY 2 16.423 9.744 5.431
11 H GLU 3 H GLU 3 16.808 12.382 4.610
12 HA GLU 3 HA GLU 3 14.036 13.296 4.753
13 HB2 GLU 3 2HB GLU 3 14.772 15.615 4.564
14 HB3 GLU 3 1HB GLU 3 15.550 14.877 5.945
15 HG2 GLU 3 2HG GLU 3 16.815 15.416 3.265
16 HG3 GLU 3 1HG GLU 3 17.056 16.363 4.729
17 H GLY 4 H GLY 4 16.978 13.013 2.865
18 HA2 GLY 4 2HA GLY 4 15.330 12.925 0.420
19 HA3 GLY 4 1HA GLY 4 17.030 13.422 0.457
20 H THR 5 H THR 5 15.994 10.939 2.490
21 HA THR 5 HA THR 5 16.976 8.852 0.707
22 HB THR 5 HB THR 5 17.615 9.032 3.664
23 HG1 THR 5 1HG THR 5 18.862 10.161 1.479
24 HG21 THR 5 3HG2 THR 5 17.566 6.756 2.720
25 HG22 THR 5 1HG2 THR 5 19.207 7.228 3.163
26 HG23 THR 5 2HG2 THR 5 18.709 7.252 1.474
27 H PHE 6 H PHE 6 15.232 7.615 0.479
28 HA PHE 6 HA PHE 6 13.130 7.560 2.422
29 HB2 PHE 6 2HB PHE 6 12.678 7.426 0.007
30 HB3 PHE 6 1HB PHE 6 13.540 5.895 -0.070
31 HD1 PHE 6 1HD PHE 6 10.548 7.603 1.180
32 HD2 PHE 6 2HD PHE 6 12.484 3.867 0.594
33 HE1 PHE 6 1HE PHE 6 8.435 6.434 1.644
34 HE2 PHE 6 2HE PHE 6 10.383 2.701 1.062
35 HZ PHE 6 HZ PHE 6 8.352 3.992 1.587
36 H THR 7 H THR 7 13.228 6.378 4.193
37 HA THR 7 HA THR 7 14.827 3.947 4.187
38 HB THR 7 HB THR 7 13.578 5.351 6.583
39 HG1 THR 7 1HG THR 7 15.073 6.829 6.048
40 HG21 THR 7 3HG2 THR 7 15.240 4.081 7.851
41 HG22 THR 7 1HG2 THR 7 15.897 3.413 6.356
42 HG23 THR 7 2HG2 THR 7 14.277 2.971 6.871
43 H SER 8 H SER 8 13.759 2.173 3.711
44 HA SER 8 HA SER 8 10.930 2.022 3.555
45 HB2 SER 8 2HB SER 8 12.942 -0.185 3.217
46 HB3 SER 8 1HB SER 8 11.377 0.011 2.419
47 HG SER 8 HG SER 8 12.282 1.227 0.974
48 H ASP 9 H ASP 9 9.561 0.952 4.922
49 HA ASP 9 HA ASP 9 8.684 -0.289 6.646
50 HB2 ASP 9 2HB ASP 9 10.037 -2.126 5.635
51 HB3 ASP 9 1HB ASP 9 11.369 -1.716 6.701
52 H LEU 10 H LEU 10 10.536 2.051 7.056
53 HA LEU 10 HA LEU 10 11.607 1.683 9.701
54 HB2 LEU 10 2HB LEU 10 12.595 3.257 8.018
55 HB3 LEU 10 1HB LEU 10 11.185 4.267 8.173
56 HG LEU 10 HG LEU 10 13.254 5.092 9.348
57 HD11 LEU 10 1HD1 LEU 10 12.150 5.823 11.387
58 HD12 LEU 10 2HD1 LEU 10 10.879 4.626 11.133
59 HD13 LEU 10 3HD1 LEU 10 11.077 5.954 9.992
60 HD21 LEU 10 3HD2 LEU 10 12.696 2.756 11.161
61 HD22 LEU 10 1HD2 LEU 10 13.821 4.061 11.523
62 HD23 LEU 10 2HD2 LEU 10 14.122 2.998 10.154
63 H SER 11 H SER 11 8.837 3.366 8.323
64 HA SER 11 HA SER 11 7.805 3.710 11.020
65 HB2 SER 11 2HB SER 11 7.628 5.587 9.323
66 HB3 SER 11 1HB SER 11 6.513 4.577 8.406
67 HG SER 11 HG SER 11 5.173 5.723 9.647
68 H LYS 12 H LYS 12 7.806 1.523 8.514
69 HA LYS 12 HA LYS 12 6.763 -0.392 8.008
70 HB2 LYS 12 2HB LYS 12 7.443 -0.770 10.340
71 HB3 LYS 12 1HB LYS 12 5.856 -0.241 10.885
72 HG2 LYS 12 2HG LYS 12 4.844 -2.122 9.665
73 HG3 LYS 12 1HG LYS 12 6.461 -2.656 9.187
74 HD2 LYS 12 2HD LYS 12 7.086 -2.865 11.471
75 HD3 LYS 12 1HD LYS 12 5.489 -2.295 11.979
76 HE2 LYS 12 2HE LYS 12 4.447 -4.220 10.878
77 HE3 LYS 12 1HE LYS 12 6.028 -4.808 10.372
78 HZ1 LYS 12 3HZ LYS 12 5.189 -5.967 12.299
79 HZ2 LYS 12 1HZ LYS 12 5.094 -4.541 13.177
80 HZ3 LYS 12 2HZ LYS 12 6.595 -5.129 12.704
81 H GLN 13 H GLN 13 5.526 1.898 7.461
82 HA GLN 13 HA GLN 13 2.636 1.458 7.731
83 HB2 GLN 13 2HB GLN 13 2.396 3.691 6.753
84 HB3 GLN 13 1HB GLN 13 3.469 3.742 8.145
85 HG2 GLN 13 2HG GLN 13 5.408 3.777 6.658
86 HG3 GLN 13 1HG GLN 13 4.340 3.702 5.261
87 HE21 GLN 13 1HE2 GLN 13 6.288 5.713 6.002
88 HE22 GLN 13 2HE2 GLN 13 5.417 7.192 6.115
89 H MET 14 H MET 14 1.392 1.705 5.671
90 HA MET 14 HA MET 14 2.843 0.337 3.563
91 HB2 MET 14 2HB MET 14 0.700 -0.299 2.634
92 HB3 MET 14 1HB MET 14 0.731 -0.720 4.334
93 HG2 MET 14 2HG MET 14 -0.599 1.366 4.767
94 HG3 MET 14 1HG MET 14 -0.725 1.550 3.021
95 HE1 MET 14 3HE MET 14 -1.903 -0.324 1.434
96 HE2 MET 14 1HE MET 14 -2.647 -1.784 2.083
97 HE3 MET 14 2HE MET 14 -0.903 -1.575 2.179
98 H GLU 15 H GLU 15 3.422 1.335 1.812
99 HA GLU 15 HA GLU 15 2.739 4.114 1.412
100 HB2 GLU 15 2HB GLU 15 4.443 2.199 -0.203
101 HB3 GLU 15 1HB GLU 15 4.287 3.915 -0.524
102 HG2 GLU 15 2HG GLU 15 5.393 2.792 2.038
103 HG3 GLU 15 1HG GLU 15 6.379 3.220 0.642
104 H GLU 16 H GLU 16 0.546 4.013 0.886
105 HA GLU 16 HA GLU 16 -0.033 2.512 -1.548
106 HB2 GLU 16 2HB GLU 16 -1.143 1.500 0.306
107 HB3 GLU 16 1HB GLU 16 -1.800 3.037 0.825
108 HG2 GLU 16 2HG GLU 16 -3.166 3.148 -1.109
109 HG3 GLU 16 1HG GLU 16 -2.492 1.639 -1.742
110 H GLU 17 H GLU 17 -2.045 5.031 0.081
111 HA GLU 17 HA GLU 17 -1.684 6.599 -2.291
112 HB2 GLU 17 2HB GLU 17 -4.240 6.155 -0.726
113 HB3 GLU 17 1HB GLU 17 -4.029 7.323 -2.016
114 HG2 GLU 17 2HG GLU 17 -3.513 5.478 -3.563
115 HG3 GLU 17 1HG GLU 17 -3.870 4.325 -2.299
116 H ALA 18 H ALA 18 -2.449 8.625 -1.776
117 HA ALA 18 HA ALA 18 -1.852 10.742 -0.961
118 HB1 ALA 18 1HB ALA 18 -1.898 9.358 1.725
119 HB2 ALA 18 2HB ALA 18 -3.272 10.172 0.966
120 HB3 ALA 18 3HB ALA 18 -1.853 11.097 1.482
121 H VAL 19 H VAL 19 0.147 8.211 -0.975
122 HA VAL 19 HA VAL 19 2.496 9.763 -0.191
123 HB VAL 19 HB VAL 19 3.774 7.664 -0.485
124 HG11 VAL 19 1HG1 VAL 19 1.348 7.369 1.265
125 HG12 VAL 19 2HG1 VAL 19 2.872 8.143 1.698
126 HG13 VAL 19 3HG1 VAL 19 2.819 6.404 1.402
127 HG21 VAL 19 3HG2 VAL 19 2.441 6.625 -2.242
128 HG22 VAL 19 1HG2 VAL 19 1.101 6.408 -1.115
129 HG23 VAL 19 2HG2 VAL 19 2.610 5.529 -0.869
130 H ARG 20 H ARG 20 0.535 9.157 -2.596
131 HA ARG 20 HA ARG 20 2.303 8.966 -4.868
132 HB2 ARG 20 2HB ARG 20 -0.663 9.477 -4.646
133 HB3 ARG 20 1HB ARG 20 0.164 9.095 -6.143
134 HG2 ARG 20 2HG ARG 20 -0.126 7.279 -3.746
135 HG3 ARG 20 1HG ARG 20 -1.075 7.188 -5.228
136 HD2 ARG 20 2HD ARG 20 0.940 6.661 -6.495
137 HD3 ARG 20 1HD ARG 20 1.913 6.822 -5.031
138 HE ARG 20 HE ARG 20 0.007 4.936 -4.435
139 HH11 ARG 20 1HH1 ARG 20 2.563 5.225 -6.847
140 HH12 ARG 20 2HH1 ARG 20 2.837 3.553 -6.980
141 HH21 ARG 20 1HH2 ARG 20 0.357 2.622 -4.605
142 HH22 ARG 20 2HH2 ARG 20 1.549 2.037 -5.654
143 H CYS 21 H CYS 21 0.586 11.385 -3.017
144 HA CYS 21 HA CYS 21 1.364 13.476 -4.915
145 HB2 CYS 21 2HB CYS 21 -0.384 14.821 -4.040
146 HB3 CYS 21 1HB CYS 21 -1.058 13.192 -4.114
147 H PHE 22 H PHE 22 2.501 12.024 -2.294
148 HA PHE 22 HA PHE 22 2.770 13.938 -0.275
149 HB2 PHE 22 2HB PHE 22 3.023 11.525 -0.044
150 HB3 PHE 22 1HB PHE 22 4.605 11.594 -0.813
151 HD1 PHE 22 2HD PHE 22 2.614 12.177 2.134
152 HD2 PHE 22 1HD PHE 22 6.498 12.619 0.449
153 HE1 PHE 22 2HE PHE 22 3.505 12.549 4.354
154 HE2 PHE 22 1HE PHE 22 7.429 12.992 2.695
155 HZ PHE 22 HZ PHE 22 5.946 12.968 4.657
156 H ILE 23 H ILE 23 5.338 12.858 -2.491
157 HA ILE 23 HA ILE 23 7.061 14.999 -1.680
158 HB ILE 23 HB ILE 23 7.401 13.154 -4.093
159 HG12 ILE 23 2HG1 ILE 23 9.219 12.127 -2.572
160 HG13 ILE 23 1HG1 ILE 23 8.361 12.946 -1.266
161 HG21 ILE 23 1HG2 ILE 23 8.714 15.198 -4.296
162 HG22 ILE 23 2HG2 ILE 23 9.764 13.804 -4.019
163 HG23 ILE 23 3HG2 ILE 23 9.406 14.917 -2.698
164 HD11 ILE 23 3HD1 ILE 23 6.376 11.631 -1.753
165 HD12 ILE 23 1HD1 ILE 23 7.762 10.604 -1.403
166 HD13 ILE 23 2HD1 ILE 23 7.227 10.821 -3.070
167 H GLU 24 H GLU 24 4.801 14.404 -4.099
168 HA GLU 24 HA GLU 24 5.297 16.470 -5.953
169 HB2 GLU 24 2HB GLU 24 2.546 15.575 -5.073
170 HB3 GLU 24 1HB GLU 24 2.992 16.302 -6.610
171 HG2 GLU 24 2HG GLU 24 3.789 13.613 -5.605
172 HG3 GLU 24 1HG GLU 24 2.552 13.938 -6.797
173 H CYS 25 H CYS 25 3.450 16.388 -3.001
174 HA CYS 25 HA CYS 25 2.619 19.121 -3.009
175 HB2 CYS 25 2HB CYS 25 1.387 17.381 -1.815
176 HB3 CYS 25 1HB CYS 25 2.749 17.138 -0.731
177 H LEU 26 H LEU 26 5.362 17.405 -1.679
178 HA LEU 26 HA LEU 26 6.362 19.527 -0.108
179 HB2 LEU 26 2HB LEU 26 7.854 17.293 -1.481
180 HB3 LEU 26 1HB LEU 26 8.529 18.322 -0.232
181 HG LEU 26 HG LEU 26 6.294 16.314 0.092
182 HD11 LEU 26 1HD1 LEU 26 9.110 16.331 1.150
183 HD12 LEU 26 2HD1 LEU 26 8.486 15.292 -0.126
184 HD13 LEU 26 3HD1 LEU 26 7.875 15.130 1.521
185 HD21 LEU 26 3HD2 LEU 26 5.902 18.228 1.551
186 HD22 LEU 26 1HD2 LEU 26 7.559 18.130 2.149
187 HD23 LEU 26 2HD2 LEU 26 6.420 16.831 2.491
188 H LYS 27 H LYS 27 6.474 18.805 -3.465
189 HA LYS 27 HA LYS 27 8.365 20.909 -4.073
190 HB2 LYS 27 2HB LYS 27 6.630 19.176 -5.838
191 HB3 LYS 27 1HB LYS 27 7.740 20.386 -6.464
192 HG2 LYS 27 2HG LYS 27 9.636 19.203 -5.556
193 HG3 LYS 27 1HG LYS 27 8.573 18.054 -4.747
194 HD2 LYS 27 2HD LYS 27 8.719 18.420 -7.741
195 HD3 LYS 27 1HD LYS 27 9.613 17.180 -6.852
196 HE2 LYS 27 2HE LYS 27 7.436 16.319 -6.002
197 HE3 LYS 27 1HE LYS 27 6.626 17.509 -7.020
198 HZ1 LYS 27 3HZ LYS 27 6.768 15.234 -7.924
199 HZ2 LYS 27 1HZ LYS 27 8.426 15.407 -8.064
200 HZ3 LYS 27 2HZ LYS 27 7.398 16.400 -8.974
201 H GLY 28 H GLY 28 4.906 20.330 -4.666
202 HA2 GLY 28 2HA GLY 28 3.664 22.423 -3.745
203 HA3 GLY 28 1HA GLY 28 4.493 23.221 -5.063
204 H ILE 29 H ILE 29 1.908 21.090 -4.175
205 HA ILE 29 HA ILE 29 0.820 21.487 -6.727
206 HB ILE 29 HB ILE 29 0.080 19.213 -7.071
207 HG12 ILE 29 2HG1 ILE 29 1.427 17.318 -5.773
208 HG13 ILE 29 1HG1 ILE 29 1.472 18.537 -4.509
209 HG21 ILE 29 1HG2 ILE 29 2.034 19.776 -8.237
210 HG22 ILE 29 2HG2 ILE 29 2.146 18.086 -7.740
211 HG23 ILE 29 3HG2 ILE 29 3.050 19.325 -6.869
212 HD11 ILE 29 3HD1 ILE 29 -0.378 17.063 -4.106
213 HD12 ILE 29 1HD1 ILE 29 -0.976 17.306 -5.759
214 HD13 ILE 29 2HD1 ILE 29 -0.988 18.644 -4.624
215 H GLY 30 H GLY 30 -0.858 22.310 -6.334
216 HA2 GLY 30 2HA GLY 30 -2.291 21.986 -3.808
217 HA3 GLY 30 1HA GLY 30 -2.754 23.094 -5.096
218 H HIS 31 H HIS 31 -2.902 19.854 -3.931
219 HA HIS 31 HA HIS 31 -4.280 18.092 -4.240
220 HB2 HIS 31 2HB HIS 31 -6.005 19.676 -3.484
221 HB3 HIS 31 1HB HIS 31 -6.248 20.215 -5.139
222 HD1 HIS 31 1HD HIS 31 -7.971 18.926 -6.501
223 HD2 HIS 31 2HD HIS 31 -6.892 16.967 -2.999
224 HE1 HIS 31 1HE HIS 31 -9.546 16.982 -6.281
225 H LYS 32 H LYS 32 -3.196 16.970 -5.783
226 HA LYS 32 HA LYS 32 -4.143 17.307 -8.563
227 HB2 LYS 32 2HB LYS 32 -1.589 16.097 -7.529
228 HB3 LYS 32 1HB LYS 32 -2.095 16.018 -9.210
229 HG2 LYS 32 2HG LYS 32 -1.626 18.541 -7.666
230 HG3 LYS 32 1HG LYS 32 -0.433 17.800 -8.750
231 HD2 LYS 32 2HD LYS 32 -2.075 18.064 -10.593
232 HD3 LYS 32 1HD LYS 32 -3.157 18.885 -9.468
233 HE2 LYS 32 2HE LYS 32 -1.460 20.604 -9.093
234 HE3 LYS 32 1HE LYS 32 -0.384 19.788 -10.224
235 HZ1 LYS 32 3HZ LYS 32 -1.517 21.613 -11.288
236 HZ2 LYS 32 1HZ LYS 32 -3.022 20.980 -10.890
237 HZ3 LYS 32 2HZ LYS 32 -2.026 20.164 -11.971
238 H TYR 33 H TYR 33 -4.505 15.379 -5.902
239 HA TYR 33 HA TYR 33 -5.411 13.130 -7.520
240 HB2 TYR 33 2HB TYR 33 -3.736 12.900 -5.006
241 HB3 TYR 33 1HB TYR 33 -4.460 11.559 -5.842
242 HD1 TYR 33 1HD TYR 33 -1.809 14.140 -6.018
243 HD2 TYR 33 2HD TYR 33 -3.338 10.567 -7.761
244 HE1 TYR 33 1HE TYR 33 0.246 13.888 -7.257
245 HE2 TYR 33 2HE TYR 33 -1.260 10.293 -9.010
246 HH TYR 33 HH TYR 33 1.525 11.780 -8.260
247 HA PRO 34 HA PRO 34 -9.015 13.801 -4.990
248 HB2 PRO 34 2HB PRO 34 -9.909 11.166 -4.847
249 HB3 PRO 34 1HB PRO 34 -10.218 12.256 -6.197
250 HG2 PRO 34 2HG PRO 34 -8.156 10.129 -5.930
251 HG3 PRO 34 1HG PRO 34 -9.117 10.595 -7.342
252 HD2 PRO 34 2HD PRO 34 -6.542 11.311 -7.070
253 HD3 PRO 34 1HD PRO 34 -7.719 12.391 -7.842
254 H PHE 35 H PHE 35 -6.946 11.146 -4.148
255 HA PHE 35 HA PHE 35 -7.782 11.098 -1.353
256 HB2 PHE 35 2HB PHE 35 -6.169 9.123 -1.323
257 HB3 PHE 35 1HB PHE 35 -7.623 8.964 -2.315
258 HD1 PHE 35 1HD PHE 35 -4.010 9.585 -2.410
259 HD2 PHE 35 2HD PHE 35 -7.507 8.736 -4.626
260 HE1 PHE 35 1HE PHE 35 -2.634 9.154 -4.409
261 HE2 PHE 35 2HE PHE 35 -6.193 8.325 -6.617
262 HZ PHE 35 HZ PHE 35 -3.724 8.524 -6.529
263 H CYS 36 H CYS 36 -5.995 13.159 -2.788
264 HA CYS 36 HA CYS 36 -3.639 12.911 -1.104
265 HB2 CYS 36 2HB CYS 36 -3.213 13.606 -3.341
266 HB3 CYS 36 1HB CYS 36 -4.316 14.982 -3.205
267 H HIS 37 H HIS 37 -3.488 13.916 0.699
268 HA HIS 37 HA HIS 37 -5.480 15.981 1.221
269 HB2 HIS 37 2HB HIS 37 -5.540 15.360 3.634
270 HB3 HIS 37 1HB HIS 37 -6.176 14.137 2.558
271 HD1 HIS 37 1HD HIS 37 -3.926 14.574 5.377
272 HD2 HIS 37 2HD HIS 37 -4.277 11.946 2.181
273 HE1 HIS 37 1HE HIS 37 -2.680 12.494 6.047
274 H CYS 38 H CYS 38 -2.343 15.644 0.714
275 HA CYS 38 HA CYS 38 -1.526 17.658 2.598
276 HB2 CYS 38 2HB CYS 38 0.099 16.014 1.648
277 HB3 CYS 38 1HB CYS 38 -0.116 16.772 0.066
278 H ARG 39 H ARG 39 -2.922 19.169 2.334
279 HA ARG 39 HA ARG 39 -2.962 20.658 -0.212
280 HB2 ARG 39 2HB ARG 39 -5.374 20.079 1.518
281 HB3 ARG 39 1HB ARG 39 -5.343 21.052 0.048
282 HG2 ARG 39 2HG ARG 39 -4.773 19.106 -1.274
283 HG3 ARG 39 1HG ARG 39 -4.683 18.117 0.178
284 HD2 ARG 39 2HD ARG 39 -7.155 19.474 -0.903
285 HD3 ARG 39 1HD ARG 39 -6.778 17.761 -1.023
286 HE ARG 39 HE ARG 39 -7.273 19.157 1.525
287 HH11 ARG 39 1HH1 ARG 39 -7.424 16.157 -0.369
288 HH12 ARG 39 2HH1 ARG 39 -8.519 15.410 0.694
289 HH21 ARG 39 1HH2 ARG 39 -8.739 18.063 2.969
290 HH22 ARG 39 2HH2 ARG 39 -9.262 16.473 2.617
Start of MODEL 12
1 H1 HIS 1 H HIS 1 0.293 10.331 -16.097
2 HA HIS 1 HA HIS 1 1.411 8.464 -14.685
3 HB2 HIS 1 2HB HIS 1 -0.104 6.754 -15.670
4 HB3 HIS 1 1HB HIS 1 0.595 7.065 -17.249
5 HD1 HIS 1 1HD HIS 1 3.023 6.058 -17.684
6 HD2 HIS 1 2HD HIS 1 1.348 5.159 -13.980
7 HE1 HIS 1 1HE HIS 1 4.355 4.133 -16.765
8 H GLY 2 H GLY 2 1.272 9.276 -18.112
9 HA2 GLY 2 2HA GLY 2 2.916 10.754 -19.058
10 HA3 GLY 2 1HA GLY 2 4.104 10.061 -17.959
11 H GLU 3 H GLU 3 4.686 10.257 -20.575
12 HA GLU 3 HA GLU 3 5.620 9.146 -22.270
13 HB2 GLU 3 2HB GLU 3 5.236 6.743 -20.472
14 HB3 GLU 3 1HB GLU 3 5.994 6.622 -22.047
15 HG2 GLU 3 2HG GLU 3 7.717 6.704 -20.399
16 HG3 GLU 3 1HG GLU 3 7.732 8.229 -21.268
17 H GLY 4 H GLY 4 2.673 9.491 -22.035
18 HA2 GLY 4 2HA GLY 4 0.950 9.173 -23.555
19 HA3 GLY 4 1HA GLY 4 1.972 8.032 -24.429
20 H THR 5 H THR 5 2.031 7.254 -21.249
21 HA THR 5 HA THR 5 0.162 5.087 -21.650
22 HB THR 5 HB THR 5 2.120 5.588 -19.394
23 HG1 THR 5 1HG THR 5 2.556 4.919 -21.966
24 HG21 THR 5 3HG2 THR 5 1.925 3.154 -19.055
25 HG22 THR 5 1HG2 THR 5 0.771 3.060 -20.387
26 HG23 THR 5 2HG2 THR 5 0.350 3.937 -18.917
27 H PHE 6 H PHE 6 -1.770 5.365 -20.823
28 HA PHE 6 HA PHE 6 -2.116 7.264 -18.638
29 HB2 PHE 6 2HB PHE 6 -4.088 6.269 -20.705
30 HB3 PHE 6 1HB PHE 6 -4.544 7.231 -19.301
31 HD1 PHE 6 1HD PHE 6 -3.939 9.556 -19.134
32 HD2 PHE 6 2HD PHE 6 -2.865 7.265 -22.553
33 HE1 PHE 6 1HE PHE 6 -3.413 11.625 -20.352
34 HE2 PHE 6 2HE PHE 6 -2.340 9.330 -23.774
35 HZ PHE 6 HZ PHE 6 -2.616 11.510 -22.673
36 H THR 7 H THR 7 -3.248 6.613 -16.826
37 HA THR 7 HA THR 7 -3.632 3.747 -16.670
38 HB THR 7 HB THR 7 -2.158 5.499 -14.703
39 HG1 THR 7 1HG THR 7 -1.444 4.219 -16.828
40 HG21 THR 7 3HG2 THR 7 -2.827 2.550 -14.538
41 HG22 THR 7 1HG2 THR 7 -3.511 3.814 -13.519
42 HG23 THR 7 2HG2 THR 7 -1.791 3.432 -13.415
43 H SER 8 H SER 8 -5.707 3.523 -16.491
44 HA SER 8 HA SER 8 -7.006 4.626 -14.148
45 HB2 SER 8 2HB SER 8 -7.701 5.906 -16.232
46 HB3 SER 8 1HB SER 8 -8.310 4.367 -16.861
47 HG SER 8 HG SER 8 -9.930 4.394 -15.455
48 H ASP 9 H ASP 9 -6.814 2.782 -13.144
49 HA ASP 9 HA ASP 9 -7.104 0.625 -12.464
50 HB2 ASP 9 2HB ASP 9 -9.296 0.756 -14.517
51 HB3 ASP 9 1HB ASP 9 -9.017 -0.691 -13.555
52 H LEU 10 H LEU 10 -5.177 1.214 -14.522
53 HA LEU 10 HA LEU 10 -5.252 -0.856 -16.526
54 HB2 LEU 10 2HB LEU 10 -4.041 1.347 -16.784
55 HB3 LEU 10 1HB LEU 10 -2.904 0.813 -15.577
56 HG LEU 10 HG LEU 10 -3.208 -0.614 -18.235
57 HD11 LEU 10 1HD1 LEU 10 -2.638 1.728 -18.644
58 HD12 LEU 10 2HD1 LEU 10 -1.270 0.671 -18.988
59 HD13 LEU 10 3HD1 LEU 10 -1.308 1.607 -17.494
60 HD21 LEU 10 3HD2 LEU 10 -0.921 -0.491 -16.256
61 HD22 LEU 10 1HD2 LEU 10 -0.940 -1.402 -17.766
62 HD23 LEU 10 2HD2 LEU 10 -2.024 -1.852 -16.446
63 H SER 11 H SER 11 -3.496 -0.368 -13.523
64 HA SER 11 HA SER 11 -2.824 -3.222 -13.436
65 HB2 SER 11 2HB SER 11 -0.947 -1.544 -13.362
66 HB3 SER 11 1HB SER 11 -1.685 -0.850 -11.927
67 HG SER 11 HG SER 11 -0.690 -3.482 -12.194
68 H LYS 12 H LYS 12 -4.868 -0.863 -12.464
69 HA LYS 12 HA LYS 12 -6.352 -0.394 -10.927
70 HB2 LYS 12 2HB LYS 12 -7.075 -2.689 -11.748
71 HB3 LYS 12 1HB LYS 12 -6.415 -3.294 -10.223
72 HG2 LYS 12 2HG LYS 12 -7.849 -1.689 -9.024
73 HG3 LYS 12 1HG LYS 12 -8.588 -1.266 -10.570
74 HD2 LYS 12 2HD LYS 12 -9.252 -3.525 -10.871
75 HD3 LYS 12 1HD LYS 12 -8.505 -3.954 -9.321
76 HE2 LYS 12 2HE LYS 12 -10.825 -2.046 -9.740
77 HE3 LYS 12 1HE LYS 12 -10.906 -3.621 -8.951
78 HZ1 LYS 12 3HZ LYS 12 -9.411 -2.746 -7.211
79 HZ2 LYS 12 1HZ LYS 12 -10.848 -1.869 -7.323
80 HZ3 LYS 12 2HZ LYS 12 -9.432 -1.228 -7.950
81 H GLN 13 H GLN 13 -3.976 0.090 -10.147
82 HA GLN 13 HA GLN 13 -4.160 -0.235 -7.249
83 HB2 GLN 13 2HB GLN 13 -1.582 -0.453 -8.803
84 HB3 GLN 13 1HB GLN 13 -1.706 -0.392 -7.058
85 HG2 GLN 13 2HG GLN 13 -3.002 -2.521 -7.166
86 HG3 GLN 13 1HG GLN 13 -2.629 -2.583 -8.889
87 HE21 GLN 13 1HE2 GLN 13 0.041 -1.389 -8.423
88 HE22 GLN 13 2HE2 GLN 13 1.000 -2.647 -7.764
89 H MET 14 H MET 14 -3.426 1.529 -6.132
90 HA MET 14 HA MET 14 -2.941 3.934 -7.741
91 HB2 MET 14 2HB MET 14 -3.716 3.720 -4.811
92 HB3 MET 14 1HB MET 14 -3.593 5.197 -5.742
93 HG2 MET 14 2HG MET 14 -5.886 4.759 -5.496
94 HG3 MET 14 1HG MET 14 -5.496 4.312 -7.154
95 HE1 MET 14 3HE MET 14 -7.812 2.997 -7.305
96 HE2 MET 14 1HE MET 14 -8.178 3.440 -5.639
97 HE3 MET 14 2HE MET 14 -8.313 1.760 -6.154
98 H GLU 15 H GLU 15 -1.257 1.597 -6.663
99 HA GLU 15 HA GLU 15 0.822 1.142 -5.990
100 HB2 GLU 15 2HB GLU 15 1.021 4.107 -6.136
101 HB3 GLU 15 1HB GLU 15 2.415 3.129 -5.644
102 HG2 GLU 15 2HG GLU 15 2.511 2.100 -7.786
103 HG3 GLU 15 1HG GLU 15 0.928 2.730 -8.231
104 H GLU 16 H GLU 16 -0.109 4.018 -4.239
105 HA GLU 16 HA GLU 16 -0.996 2.820 -1.979
106 HB2 GLU 16 2HB GLU 16 1.310 2.222 -1.468
107 HB3 GLU 16 1HB GLU 16 1.822 3.896 -1.700
108 HG2 GLU 16 2HG GLU 16 0.582 4.593 0.219
109 HG3 GLU 16 1HG GLU 16 -0.152 2.997 0.352
110 H GLU 17 H GLU 17 -2.227 4.268 -1.086
111 HA GLU 17 HA GLU 17 -2.229 6.791 -2.323
112 HB2 GLU 17 2HB GLU 17 -4.326 7.139 -1.093
113 HB3 GLU 17 1HB GLU 17 -4.352 5.692 -2.080
114 HG2 GLU 17 2HG GLU 17 -4.005 4.325 -0.099
115 HG3 GLU 17 1HG GLU 17 -3.930 5.781 0.896
116 H ALA 18 H ALA 18 -2.078 8.386 -1.450
117 HA ALA 18 HA ALA 18 -1.364 10.203 -0.278
118 HB1 ALA 18 1HB ALA 18 -1.314 8.475 2.183
119 HB2 ALA 18 2HB ALA 18 -2.719 9.365 1.587
120 HB3 ALA 18 3HB ALA 18 -1.280 10.238 2.134
121 H VAL 19 H VAL 19 0.559 7.623 -0.929
122 HA VAL 19 HA VAL 19 2.831 9.183 -0.019
123 HB VAL 19 HB VAL 19 2.905 6.677 0.360
124 HG11 VAL 19 1HG1 VAL 19 3.443 5.211 -1.490
125 HG12 VAL 19 2HG1 VAL 19 3.229 6.550 -2.620
126 HG13 VAL 19 3HG1 VAL 19 1.852 5.949 -1.698
127 HG21 VAL 19 3HG2 VAL 19 5.038 7.866 -1.371
128 HG22 VAL 19 1HG2 VAL 19 5.226 6.409 -0.388
129 HG23 VAL 19 2HG2 VAL 19 4.913 7.969 0.388
130 H ARG 20 H ARG 20 1.064 8.118 -2.744
131 HA ARG 20 HA ARG 20 2.627 8.813 -4.900
132 HB2 ARG 20 2HB ARG 20 -0.272 8.679 -4.380
133 HB3 ARG 20 1HB ARG 20 0.190 9.305 -5.928
134 HG2 ARG 20 2HG ARG 20 0.751 6.576 -4.767
135 HG3 ARG 20 1HG ARG 20 -0.333 7.008 -6.097
136 HD2 ARG 20 2HD ARG 20 2.681 7.224 -6.128
137 HD3 ARG 20 1HD ARG 20 1.709 6.019 -6.955
138 HE ARG 20 HE ARG 20 0.768 8.449 -7.806
139 HH11 ARG 20 1HH1 ARG 20 3.610 6.415 -8.214
140 HH12 ARG 20 2HH1 ARG 20 4.275 7.351 -9.480
141 HH21 ARG 20 1HH2 ARG 20 1.620 9.678 -9.641
142 HH22 ARG 20 2HH2 ARG 20 3.093 9.216 -10.332
143 H CYS 21 H CYS 21 0.736 10.938 -2.824
144 HA CYS 21 HA CYS 21 1.516 13.143 -4.550
145 HB2 CYS 21 2HB CYS 21 -0.909 12.903 -4.207
146 HB3 CYS 21 1HB CYS 21 -0.701 13.118 -2.480
147 H PHE 22 H PHE 22 2.605 11.612 -1.949
148 HA PHE 22 HA PHE 22 2.920 13.481 0.108
149 HB2 PHE 22 2HB PHE 22 3.326 11.031 0.204
150 HB3 PHE 22 1HB PHE 22 4.832 11.271 -0.669
151 HD1 PHE 22 2HD PHE 22 6.646 12.599 0.457
152 HD2 PHE 22 1HD PHE 22 3.142 11.304 2.449
153 HE1 PHE 22 2HE PHE 22 7.776 12.935 2.601
154 HE2 PHE 22 1HE PHE 22 4.233 11.617 4.615
155 HZ PHE 22 HZ PHE 22 6.566 12.432 4.716
156 H ILE 23 H ILE 23 5.269 12.551 -2.422
157 HA ILE 23 HA ILE 23 7.031 14.677 -1.739
158 HB ILE 23 HB ILE 23 6.983 12.967 -4.255
159 HG12 ILE 23 2HG1 ILE 23 7.199 11.596 -2.217
160 HG13 ILE 23 1HG1 ILE 23 8.681 11.574 -3.166
161 HG21 ILE 23 1HG2 ILE 23 8.313 14.993 -4.554
162 HG22 ILE 23 2HG2 ILE 23 9.360 13.570 -4.470
163 HG23 ILE 23 3HG2 ILE 23 9.197 14.631 -3.069
164 HD11 ILE 23 3HD1 ILE 23 8.205 13.221 -0.681
165 HD12 ILE 23 1HD1 ILE 23 9.690 13.165 -1.623
166 HD13 ILE 23 2HD1 ILE 23 9.132 11.723 -0.770
167 H GLU 24 H GLU 24 4.347 14.282 -3.848
168 HA GLU 24 HA GLU 24 4.769 16.433 -5.649
169 HB2 GLU 24 2HB GLU 24 2.113 15.382 -4.679
170 HB3 GLU 24 1HB GLU 24 2.459 16.237 -6.178
171 HG2 GLU 24 2HG GLU 24 3.547 13.586 -5.442
172 HG3 GLU 24 1HG GLU 24 2.122 13.824 -6.454
173 H CYS 25 H CYS 25 3.152 16.120 -2.601
174 HA CYS 25 HA CYS 25 2.231 18.808 -2.394
175 HB2 CYS 25 2HB CYS 25 1.284 16.915 -1.133
176 HB3 CYS 25 1HB CYS 25 2.760 16.807 -0.189
177 H LEU 26 H LEU 26 5.101 17.107 -1.278
178 HA LEU 26 HA LEU 26 6.364 19.174 0.130
179 HB2 LEU 26 2HB LEU 26 7.074 16.814 0.152
180 HB3 LEU 26 1HB LEU 26 7.533 16.931 -1.528
181 HG LEU 26 HG LEU 26 9.312 18.544 -0.885
182 HD11 LEU 26 1HD1 LEU 26 8.505 17.815 1.924
183 HD12 LEU 26 2HD1 LEU 26 8.345 19.402 1.168
184 HD13 LEU 26 3HD1 LEU 26 9.945 18.725 1.469
185 HD21 LEU 26 3HD2 LEU 26 9.385 15.862 0.490
186 HD22 LEU 26 1HD2 LEU 26 10.789 16.860 0.109
187 HD23 LEU 26 2HD2 LEU 26 9.808 16.185 -1.191
188 H LYS 27 H LYS 27 6.215 18.367 -3.239
189 HA LYS 27 HA LYS 27 8.032 20.367 -4.194
190 HB2 LYS 27 2HB LYS 27 5.965 18.628 -5.543
191 HB3 LYS 27 1HB LYS 27 6.942 19.786 -6.434
192 HG2 LYS 27 2HG LYS 27 8.887 18.569 -6.153
193 HG3 LYS 27 1HG LYS 27 8.299 17.773 -4.697
194 HD2 LYS 27 2HD LYS 27 8.462 16.233 -6.634
195 HD3 LYS 27 1HD LYS 27 6.832 16.362 -6.003
196 HE2 LYS 27 2HE LYS 27 6.266 17.904 -7.825
197 HE3 LYS 27 1HE LYS 27 7.911 17.761 -8.445
198 HZ1 LYS 27 3HZ LYS 27 6.263 16.302 -9.571
199 HZ2 LYS 27 1HZ LYS 27 6.051 15.458 -8.130
200 HZ3 LYS 27 2HZ LYS 27 7.548 15.443 -8.900
201 H GLY 28 H GLY 28 4.494 20.044 -4.383
202 HA2 GLY 28 2HA GLY 28 3.256 22.060 -3.570
203 HA3 GLY 28 1HA GLY 28 4.262 22.983 -4.669
204 H ILE 29 H ILE 29 1.507 20.958 -4.348
205 HA ILE 29 HA ILE 29 0.809 21.654 -6.959
206 HB ILE 29 HB ILE 29 -0.110 19.430 -7.506
207 HG12 ILE 29 2HG1 ILE 29 0.923 17.397 -6.230
208 HG13 ILE 29 1HG1 ILE 29 1.078 18.530 -4.889
209 HG21 ILE 29 1HG2 ILE 29 2.835 19.299 -7.026
210 HG22 ILE 29 2HG2 ILE 29 2.004 19.925 -8.448
211 HG23 ILE 29 3HG2 ILE 29 1.920 18.205 -8.063
212 HD11 ILE 29 3HD1 ILE 29 -1.460 17.718 -6.296
213 HD12 ILE 29 1HD1 ILE 29 -1.351 18.886 -4.980
214 HD13 ILE 29 2HD1 ILE 29 -0.931 17.196 -4.695
215 H GLY 30 H GLY 30 -0.902 22.454 -6.784
216 HA2 GLY 30 2HA GLY 30 -2.559 22.464 -4.412
217 HA3 GLY 30 1HA GLY 30 -2.974 23.271 -5.913
218 H HIS 31 H HIS 31 -3.111 20.325 -4.133
219 HA HIS 31 HA HIS 31 -4.265 18.384 -4.253
220 HB2 HIS 31 2HB HIS 31 -5.878 19.961 -3.262
221 HB3 HIS 31 1HB HIS 31 -6.517 20.311 -4.863
222 HD1 HIS 31 1HD HIS 31 -8.322 18.721 -5.753
223 HD2 HIS 31 2HD HIS 31 -6.454 17.336 -2.304
224 HE1 HIS 31 1HE HIS 31 -9.615 16.682 -5.028
225 H LYS 32 H LYS 32 -3.383 17.273 -5.970
226 HA LYS 32 HA LYS 32 -5.060 17.254 -8.399
227 HB2 LYS 32 2HB LYS 32 -2.058 17.039 -8.240
228 HB3 LYS 32 1HB LYS 32 -2.985 16.724 -9.703
229 HG2 LYS 32 2HG LYS 32 -2.831 19.342 -8.213
230 HG3 LYS 32 1HG LYS 32 -2.002 18.942 -9.720
231 HD2 LYS 32 2HD LYS 32 -4.172 18.672 -10.844
232 HD3 LYS 32 1HD LYS 32 -5.008 19.015 -9.333
233 HE2 LYS 32 2HE LYS 32 -5.021 20.983 -10.723
234 HE3 LYS 32 1HE LYS 32 -4.001 21.261 -9.314
235 HZ1 LYS 32 3HZ LYS 32 -3.058 22.064 -11.416
236 HZ2 LYS 32 1HZ LYS 32 -3.011 20.490 -11.990
237 HZ3 LYS 32 2HZ LYS 32 -2.053 20.940 -10.669
238 H TYR 33 H TYR 33 -4.822 15.560 -5.888
239 HA TYR 33 HA TYR 33 -5.035 12.996 -7.227
240 HB2 TYR 33 2HB TYR 33 -3.192 13.443 -4.866
241 HB3 TYR 33 1HB TYR 33 -3.603 11.867 -5.508
242 HD1 TYR 33 1HD TYR 33 -1.775 15.031 -6.238
243 HD2 TYR 33 2HD TYR 33 -2.348 10.956 -7.336
244 HE1 TYR 33 1HE TYR 33 0.150 15.177 -7.673
245 HE2 TYR 33 2HE TYR 33 -0.402 11.073 -8.790
246 HH TYR 33 HH TYR 33 1.856 13.664 -8.755
247 HA PRO 34 HA PRO 34 -8.623 12.939 -4.642
248 HB2 PRO 34 2HB PRO 34 -8.794 10.192 -4.227
249 HB3 PRO 34 1HB PRO 34 -9.389 11.033 -5.657
250 HG2 PRO 34 2HG PRO 34 -6.827 9.564 -5.261
251 HG3 PRO 34 1HG PRO 34 -7.897 9.597 -6.673
252 HD2 PRO 34 2HD PRO 34 -5.620 11.015 -6.606
253 HD3 PRO 34 1HD PRO 34 -7.084 11.664 -7.384
254 H PHE 35 H PHE 35 -6.025 10.876 -3.576
255 HA PHE 35 HA PHE 35 -6.853 10.916 -0.791
256 HB2 PHE 35 2HB PHE 35 -4.758 9.409 -0.636
257 HB3 PHE 35 1HB PHE 35 -6.195 8.813 -1.472
258 HD1 PHE 35 1HD PHE 35 -2.941 10.515 -2.129
259 HD2 PHE 35 2HD PHE 35 -6.053 8.039 -3.625
260 HE1 PHE 35 1HE PHE 35 -1.666 10.158 -4.194
261 HE2 PHE 35 2HE PHE 35 -4.816 7.676 -5.665
262 HZ PHE 35 HZ PHE 35 -2.598 8.721 -5.982
263 H CYS 36 H CYS 36 -5.467 13.175 -2.443
264 HA CYS 36 HA CYS 36 -3.112 13.476 -0.776
265 HB2 CYS 36 2HB CYS 36 -2.731 13.707 -3.110
266 HB3 CYS 36 1HB CYS 36 -3.927 15.001 -3.260
267 H HIS 37 H HIS 37 -3.830 14.088 1.074
268 HA HIS 37 HA HIS 37 -5.678 16.264 1.400
269 HB2 HIS 37 2HB HIS 37 -5.232 15.851 3.887
270 HB3 HIS 37 1HB HIS 37 -5.948 14.515 3.011
271 HD1 HIS 37 1HD HIS 37 -3.202 15.283 5.310
272 HD2 HIS 37 2HD HIS 37 -3.948 12.442 2.353
273 HE1 HIS 37 1HE HIS 37 -1.639 13.389 5.771
274 H CYS 38 H CYS 38 -3.789 17.262 -0.001
275 HA CYS 38 HA CYS 38 -1.842 18.602 1.723
276 HB2 CYS 38 2HB CYS 38 -1.050 17.449 -0.354
277 HB3 CYS 38 1HB CYS 38 -2.053 18.524 -1.307
278 H ARG 39 H ARG 39 -1.530 21.008 1.122
279 HA ARG 39 HA ARG 39 -4.161 22.246 0.680
280 HB2 ARG 39 2HB ARG 39 -3.585 22.159 3.030
281 HB3 ARG 39 1HB ARG 39 -2.053 22.946 2.680
282 HG2 ARG 39 2HG ARG 39 -3.235 24.959 1.986
283 HG3 ARG 39 1HG ARG 39 -4.779 24.164 2.320
284 HD2 ARG 39 2HD ARG 39 -4.104 25.611 4.181
285 HD3 ARG 39 1HD ARG 39 -4.157 23.915 4.663
286 HE ARG 39 HE ARG 39 -1.612 25.126 3.856
287 HH11 ARG 39 1HH1 ARG 39 -3.588 23.692 6.422
288 HH12 ARG 39 2HH1 ARG 39 -2.306 23.554 7.515
289 HH21 ARG 39 1HH2 ARG 39 0.166 24.900 5.361
290 HH22 ARG 39 2HH2 ARG 39 -0.126 24.234 6.900
Start of MODEL 13
1 H1 HIS 1 H HIS 1 23.132 6.046 -2.023
2 HA HIS 1 HA HIS 1 20.770 4.491 -2.154
3 HB2 HIS 1 2HB HIS 1 21.434 4.175 0.245
4 HB3 HIS 1 1HB HIS 1 21.490 5.919 0.444
5 HD1 HIS 1 1HD HIS 1 19.354 6.985 1.246
6 HD2 HIS 1 2HD HIS 1 18.741 3.207 -0.368
7 HE1 HIS 1 1HE HIS 1 16.910 6.477 1.584
8 H GLY 2 H GLY 2 18.875 6.144 -1.778
9 HA2 GLY 2 2HA GLY 2 18.539 8.628 -1.729
10 HA3 GLY 2 1HA GLY 2 19.648 8.622 -3.103
11 H GLU 3 H GLU 3 17.633 9.675 -3.961
12 HA GLU 3 HA GLU 3 15.967 9.713 -5.397
13 HB2 GLU 3 2HB GLU 3 16.913 6.923 -6.051
14 HB3 GLU 3 1HB GLU 3 15.619 7.715 -6.928
15 HG2 GLU 3 2HG GLU 3 17.646 7.907 -8.176
16 HG3 GLU 3 1HG GLU 3 17.205 9.501 -7.580
17 H GLY 4 H GLY 4 14.482 10.018 -3.830
18 HA2 GLY 4 2HA GLY 4 13.020 7.741 -2.786
19 HA3 GLY 4 1HA GLY 4 12.778 9.427 -2.349
20 H THR 5 H THR 5 12.785 7.774 -5.423
21 HA THR 5 HA THR 5 10.125 8.821 -5.967
22 HB THR 5 HB THR 5 12.159 7.566 -7.855
23 HG1 THR 5 1HG THR 5 11.389 10.274 -7.641
24 HG21 THR 5 3HG2 THR 5 10.734 8.509 -9.630
25 HG22 THR 5 1HG2 THR 5 9.616 9.125 -8.412
26 HG23 THR 5 2HG2 THR 5 9.816 7.385 -8.629
27 H PHE 6 H PHE 6 8.633 7.419 -5.366
28 HA PHE 6 HA PHE 6 9.309 4.587 -5.221
29 HB2 PHE 6 2HB PHE 6 6.915 6.064 -4.105
30 HB3 PHE 6 1HB PHE 6 7.355 4.391 -3.779
31 HD1 PHE 6 1HD PHE 6 9.467 3.916 -2.502
32 HD2 PHE 6 2HD PHE 6 7.851 7.835 -2.875
33 HE1 PHE 6 1HE PHE 6 10.820 4.659 -0.583
34 HE2 PHE 6 2HE PHE 6 9.196 8.580 -0.962
35 HZ PHE 6 HZ PHE 6 10.683 6.996 0.186
36 H THR 7 H THR 7 8.030 3.030 -6.287
37 HA THR 7 HA THR 7 6.768 4.064 -8.639
38 HB THR 7 HB THR 7 7.265 1.227 -7.717
39 HG1 THR 7 1HG THR 7 8.958 3.163 -8.856
40 HG21 THR 7 3HG2 THR 7 6.857 2.421 -10.462
41 HG22 THR 7 1HG2 THR 7 5.675 1.461 -9.572
42 HG23 THR 7 2HG2 THR 7 7.177 0.719 -10.121
43 H SER 8 H SER 8 4.691 4.674 -8.235
44 HA SER 8 HA SER 8 2.947 2.739 -6.899
45 HB2 SER 8 2HB SER 8 2.805 5.752 -6.667
46 HB3 SER 8 1HB SER 8 1.735 4.593 -5.869
47 HG SER 8 HG SER 8 4.504 4.975 -5.484
48 H ASP 9 H ASP 9 1.036 2.406 -7.975
49 HA ASP 9 HA ASP 9 -0.570 2.431 -9.525
50 HB2 ASP 9 2HB ASP 9 0.682 5.003 -10.370
51 HB3 ASP 9 1HB ASP 9 -0.726 4.326 -11.201
52 H LEU 10 H LEU 10 2.542 3.338 -10.587
53 HA LEU 10 HA LEU 10 2.577 2.599 -13.247
54 HB2 LEU 10 2HB LEU 10 4.211 3.953 -11.889
55 HB3 LEU 10 1HB LEU 10 4.843 2.477 -11.259
56 HG LEU 10 HG LEU 10 4.915 3.134 -14.227
57 HD11 LEU 10 1HD1 LEU 10 7.232 3.824 -13.889
58 HD12 LEU 10 2HD1 LEU 10 7.048 3.621 -12.149
59 HD13 LEU 10 3HD1 LEU 10 6.118 4.855 -12.997
60 HD21 LEU 10 3HD2 LEU 10 6.703 1.470 -14.314
61 HD22 LEU 10 1HD2 LEU 10 5.235 0.752 -13.655
62 HD23 LEU 10 2HD2 LEU 10 6.560 1.196 -12.579
63 H SER 11 H SER 11 3.365 0.618 -10.380
64 HA SER 11 HA SER 11 3.425 -1.714 -12.179
65 HB2 SER 11 2HB SER 11 5.499 -1.235 -10.897
66 HB3 SER 11 1HB SER 11 4.602 -1.383 -9.402
67 HG SER 11 HG SER 11 5.429 -3.321 -11.214
68 H LYS 12 H LYS 12 1.772 -0.145 -9.670
69 HA LYS 12 HA LYS 12 -0.016 -0.485 -8.361
70 HB2 LYS 12 2HB LYS 12 -0.859 -0.499 -10.713
71 HB3 LYS 12 1HB LYS 12 -0.944 -2.249 -10.610
72 HG2 LYS 12 2HG LYS 12 -2.579 -2.101 -8.845
73 HG3 LYS 12 1HG LYS 12 -2.424 -0.344 -8.816
74 HD2 LYS 12 2HD LYS 12 -3.105 -0.334 -11.185
75 HD3 LYS 12 1HD LYS 12 -3.435 -2.066 -11.024
76 HE2 LYS 12 2HE LYS 12 -5.510 -0.785 -10.725
77 HE3 LYS 12 1HE LYS 12 -5.052 -1.585 -9.222
78 HZ1 LYS 12 3HZ LYS 12 -5.785 0.696 -8.879
79 HZ2 LYS 12 1HZ LYS 12 -4.597 1.266 -9.900
80 HZ3 LYS 12 2HZ LYS 12 -4.163 0.583 -8.425
81 H GLN 13 H GLN 13 2.059 -2.754 -8.226
82 HA GLN 13 HA GLN 13 0.589 -5.092 -7.479
83 HB2 GLN 13 2HB GLN 13 3.488 -4.437 -6.957
84 HB3 GLN 13 1HB GLN 13 2.748 -5.988 -6.588
85 HG2 GLN 13 2HG GLN 13 2.201 -6.265 -8.960
86 HG3 GLN 13 1HG GLN 13 2.997 -4.732 -9.306
87 HE21 GLN 13 1HE2 GLN 13 4.462 -5.675 -10.643
88 HE22 GLN 13 2HE2 GLN 13 5.773 -6.654 -10.092
89 H MET 14 H MET 14 2.500 -2.910 -5.412
90 HA MET 14 HA MET 14 0.852 -3.818 -3.169
91 HB2 MET 14 2HB MET 14 3.299 -3.622 -2.794
92 HB3 MET 14 1HB MET 14 3.216 -1.915 -3.192
93 HG2 MET 14 2HG MET 14 1.826 -1.514 -1.239
94 HG3 MET 14 1HG MET 14 1.853 -3.235 -0.856
95 HE1 MET 14 3HE MET 14 4.099 -1.623 1.939
96 HE2 MET 14 1HE MET 14 2.691 -2.638 1.613
97 HE3 MET 14 2HE MET 14 2.661 -0.929 1.185
98 H GLU 15 H GLU 15 2.036 -0.737 -4.362
99 HA GLU 15 HA GLU 15 1.133 1.218 -4.806
100 HB2 GLU 15 2HB GLU 15 -0.259 -0.079 -6.312
101 HB3 GLU 15 1HB GLU 15 -1.434 -0.327 -5.036
102 HG2 GLU 15 2HG GLU 15 -2.048 1.957 -5.042
103 HG3 GLU 15 1HG GLU 15 -0.686 2.383 -6.084
104 H GLU 16 H GLU 16 1.413 2.463 -3.194
105 HA GLU 16 HA GLU 16 -0.509 2.475 -0.998
106 HB2 GLU 16 2HB GLU 16 1.882 2.173 -0.411
107 HB3 GLU 16 1HB GLU 16 2.261 3.681 -1.223
108 HG2 GLU 16 2HG GLU 16 0.914 4.898 0.415
109 HG3 GLU 16 1HG GLU 16 0.533 3.381 1.225
110 H GLU 17 H GLU 17 -1.497 4.499 -0.438
111 HA GLU 17 HA GLU 17 -1.397 6.533 -2.475
112 HB2 GLU 17 2HB GLU 17 -3.484 5.789 -0.394
113 HB3 GLU 17 1HB GLU 17 -3.564 7.202 -1.429
114 HG2 GLU 17 2HG GLU 17 -3.797 5.860 -3.381
115 HG3 GLU 17 1HG GLU 17 -3.465 4.389 -2.472
116 H ALA 18 H ALA 18 -1.960 8.454 -1.315
117 HA ALA 18 HA ALA 18 -1.056 10.344 -0.312
118 HB1 ALA 18 1HB ALA 18 -0.700 8.502 2.056
119 HB2 ALA 18 2HB ALA 18 -2.121 9.506 1.723
120 HB3 ALA 18 3HB ALA 18 -0.572 10.252 2.106
121 H VAL 19 H VAL 19 0.896 7.838 -1.130
122 HA VAL 19 HA VAL 19 3.290 9.351 -0.518
123 HB VAL 19 HB VAL 19 3.476 6.877 -0.343
124 HG11 VAL 19 1HG1 VAL 19 1.837 6.237 -1.958
125 HG12 VAL 19 2HG1 VAL 19 3.397 5.484 -2.350
126 HG13 VAL 19 3HG1 VAL 19 2.831 6.896 -3.256
127 HG21 VAL 19 3HG2 VAL 19 5.460 6.550 -1.748
128 HG22 VAL 19 1HG2 VAL 19 5.467 8.115 -0.927
129 HG23 VAL 19 2HG2 VAL 19 5.042 8.018 -2.635
130 H ARG 20 H ARG 20 1.121 8.486 -3.008
131 HA ARG 20 HA ARG 20 2.371 9.729 -5.195
132 HB2 ARG 20 2HB ARG 20 -0.414 8.913 -4.555
133 HB3 ARG 20 1HB ARG 20 -0.151 9.834 -6.005
134 HG2 ARG 20 2HG ARG 20 0.965 7.131 -5.297
135 HG3 ARG 20 1HG ARG 20 -0.271 7.481 -6.497
136 HD2 ARG 20 2HD ARG 20 2.685 8.075 -6.608
137 HD3 ARG 20 1HD ARG 20 1.713 7.122 -7.716
138 HE ARG 20 HE ARG 20 1.930 10.016 -7.590
139 HH11 ARG 20 1HH1 ARG 20 0.270 7.277 -9.130
140 HH12 ARG 20 2HH1 ARG 20 0.055 8.060 -10.619
141 HH21 ARG 20 1HH2 ARG 20 1.590 11.112 -9.652
142 HH22 ARG 20 2HH2 ARG 20 0.803 10.310 -10.919
143 H CYS 21 H CYS 21 0.779 10.962 -2.460
144 HA CYS 21 HA CYS 21 0.589 13.615 -3.706
145 HB2 CYS 21 2HB CYS 21 -1.460 12.892 -2.646
146 HB3 CYS 21 1HB CYS 21 -0.634 12.571 -1.134
147 H PHE 22 H PHE 22 2.515 11.712 -1.700
148 HA PHE 22 HA PHE 22 3.202 13.460 0.378
149 HB2 PHE 22 2HB PHE 22 3.449 11.013 0.357
150 HB3 PHE 22 1HB PHE 22 4.835 11.167 -0.729
151 HD1 PHE 22 2HD PHE 22 3.515 11.505 2.586
152 HD2 PHE 22 1HD PHE 22 6.919 12.061 0.152
153 HE1 PHE 22 2HE PHE 22 4.879 11.740 4.609
154 HE2 PHE 22 1HE PHE 22 8.340 12.308 2.151
155 HZ PHE 22 HZ PHE 22 7.322 12.145 4.402
156 H ILE 23 H ILE 23 5.192 12.481 -2.404
157 HA ILE 23 HA ILE 23 7.145 14.496 -1.904
158 HB ILE 23 HB ILE 23 6.673 12.873 -4.418
159 HG12 ILE 23 2HG1 ILE 23 7.056 11.421 -2.472
160 HG13 ILE 23 1HG1 ILE 23 8.410 11.344 -3.590
161 HG21 ILE 23 1HG2 ILE 23 9.035 13.336 -4.948
162 HG22 ILE 23 2HG2 ILE 23 9.141 14.351 -3.511
163 HG23 ILE 23 3HG2 ILE 23 8.085 14.823 -4.843
164 HD11 ILE 23 3HD1 ILE 23 8.334 12.929 -1.024
165 HD12 ILE 23 1HD1 ILE 23 9.692 12.825 -2.138
166 HD13 ILE 23 2HD1 ILE 23 9.154 11.387 -1.268
167 H GLU 24 H GLU 24 4.278 14.283 -3.780
168 HA GLU 24 HA GLU 24 4.718 16.450 -5.545
169 HB2 GLU 24 2HB GLU 24 2.060 15.429 -4.567
170 HB3 GLU 24 1HB GLU 24 2.422 16.232 -6.092
171 HG2 GLU 24 2HG GLU 24 3.425 13.565 -5.246
172 HG3 GLU 24 1HG GLU 24 2.070 13.823 -6.340
173 H CYS 25 H CYS 25 3.065 16.124 -2.450
174 HA CYS 25 HA CYS 25 2.344 18.862 -2.206
175 HB2 CYS 25 2HB CYS 25 1.213 17.198 -0.901
176 HB3 CYS 25 1HB CYS 25 2.697 16.749 -0.068
177 H LEU 26 H LEU 26 5.170 17.007 -1.372
178 HA LEU 26 HA LEU 26 6.497 18.906 0.188
179 HB2 LEU 26 2HB LEU 26 7.188 16.532 -0.078
180 HB3 LEU 26 1HB LEU 26 7.657 16.869 -1.727
181 HG LEU 26 HG LEU 26 9.422 18.394 -0.882
182 HD11 LEU 26 1HD1 LEU 26 8.575 17.362 1.821
183 HD12 LEU 26 2HD1 LEU 26 8.425 19.024 1.245
184 HD13 LEU 26 3HD1 LEU 26 10.019 18.316 1.493
185 HD21 LEU 26 3HD2 LEU 26 9.495 15.574 0.195
186 HD22 LEU 26 1HD2 LEU 26 10.897 16.618 -0.043
187 HD23 LEU 26 2HD2 LEU 26 9.949 16.083 -1.430
188 H LYS 27 H LYS 27 6.084 18.519 -3.247
189 HA LYS 27 HA LYS 27 7.854 20.684 -4.009
190 HB2 LYS 27 2HB LYS 27 5.635 19.338 -5.583
191 HB3 LYS 27 1HB LYS 27 6.854 20.407 -6.248
192 HG2 LYS 27 2HG LYS 27 7.410 17.732 -4.983
193 HG3 LYS 27 1HG LYS 27 7.258 18.010 -6.714
194 HD2 LYS 27 2HD LYS 27 9.163 19.584 -6.585
195 HD3 LYS 27 1HD LYS 27 9.324 19.213 -4.868
196 HE2 LYS 27 2HE LYS 27 10.924 17.921 -6.153
197 HE3 LYS 27 1HE LYS 27 9.724 16.856 -5.431
198 HZ1 LYS 27 3HZ LYS 27 8.602 16.726 -7.601
199 HZ2 LYS 27 1HZ LYS 27 10.224 16.273 -7.726
200 HZ3 LYS 27 2HZ LYS 27 9.731 17.779 -8.262
201 H GLY 28 H GLY 28 4.355 20.154 -4.097
202 HA2 GLY 28 2HA GLY 28 3.009 21.847 -2.866
203 HA3 GLY 28 1HA GLY 28 3.887 23.065 -3.769
204 H ILE 29 H ILE 29 1.396 20.652 -3.863
205 HA ILE 29 HA ILE 29 0.492 21.880 -6.189
206 HB ILE 29 HB ILE 29 -0.277 19.711 -7.150
207 HG12 ILE 29 2HG1 ILE 29 1.161 17.661 -6.567
208 HG13 ILE 29 1HG1 ILE 29 1.498 18.471 -5.042
209 HG21 ILE 29 1HG2 ILE 29 1.583 20.800 -8.139
210 HG22 ILE 29 2HG2 ILE 29 1.818 19.051 -8.190
211 HG23 ILE 29 3HG2 ILE 29 2.683 20.027 -6.997
212 HD11 ILE 29 3HD1 ILE 29 -0.902 18.478 -4.572
213 HD12 ILE 29 1HD1 ILE 29 -0.283 16.837 -4.797
214 HD13 ILE 29 2HD1 ILE 29 -1.196 17.639 -6.087
215 H GLY 30 H GLY 30 -1.245 22.359 -5.898
216 HA2 GLY 30 2HA GLY 30 -2.883 21.552 -3.611
217 HA3 GLY 30 1HA GLY 30 -3.274 22.862 -4.720
218 H HIS 31 H HIS 31 -4.042 19.796 -3.753
219 HA HIS 31 HA HIS 31 -5.305 18.114 -4.432
220 HB2 HIS 31 2HB HIS 31 -6.822 20.494 -5.361
221 HB3 HIS 31 1HB HIS 31 -7.533 18.873 -5.405
222 HD1 HIS 31 1HD HIS 31 -7.610 21.795 -3.401
223 HD2 HIS 31 2HD HIS 31 -7.209 17.742 -2.559
224 HE1 HIS 31 1HE HIS 31 -8.333 21.514 -1.012
225 H LYS 32 H LYS 32 -4.020 16.997 -5.813
226 HA LYS 32 HA LYS 32 -4.856 17.149 -8.635
227 HB2 LYS 32 2HB LYS 32 -2.059 16.669 -7.597
228 HB3 LYS 32 1HB LYS 32 -2.538 16.420 -9.265
229 HG2 LYS 32 2HG LYS 32 -2.828 19.059 -7.857
230 HG3 LYS 32 1HG LYS 32 -1.396 18.599 -8.785
231 HD2 LYS 32 2HD LYS 32 -2.658 18.429 -10.803
232 HD3 LYS 32 1HD LYS 32 -4.185 18.563 -9.940
233 HE2 LYS 32 2HE LYS 32 -2.119 20.743 -9.979
234 HE3 LYS 32 1HE LYS 32 -3.410 20.627 -11.173
235 HZ1 LYS 32 3HZ LYS 32 -3.979 22.114 -9.368
236 HZ2 LYS 32 1HZ LYS 32 -3.827 20.893 -8.224
237 HZ3 LYS 32 2HZ LYS 32 -5.020 20.796 -9.393
238 H TYR 33 H TYR 33 -4.991 15.328 -5.934
239 HA TYR 33 HA TYR 33 -5.430 12.901 -7.418
240 HB2 TYR 33 2HB TYR 33 -3.675 12.936 -4.928
241 HB3 TYR 33 1HB TYR 33 -4.117 11.524 -5.860
242 HD1 TYR 33 1HD TYR 33 -1.945 14.515 -5.747
243 HD2 TYR 33 2HD TYR 33 -2.940 10.977 -7.906
244 HE1 TYR 33 1HE TYR 33 0.084 14.762 -7.069
245 HE2 TYR 33 2HE TYR 33 -0.901 11.227 -9.234
246 HH TYR 33 HH TYR 33 1.604 13.399 -8.437
247 HA PRO 34 HA PRO 34 -9.113 12.940 -4.899
248 HB2 PRO 34 2HB PRO 34 -9.000 10.200 -4.149
249 HB3 PRO 34 1HB PRO 34 -9.874 10.879 -5.518
250 HG2 PRO 34 2HG PRO 34 -7.204 9.589 -5.445
251 HG3 PRO 34 1HG PRO 34 -8.430 9.580 -6.723
252 HD2 PRO 34 2HD PRO 34 -6.233 11.037 -6.960
253 HD3 PRO 34 1HD PRO 34 -7.800 11.679 -7.501
254 H PHE 35 H PHE 35 -6.568 10.946 -3.569
255 HA PHE 35 HA PHE 35 -7.341 11.394 -0.810
256 HB2 PHE 35 2HB PHE 35 -5.438 9.797 -0.405
257 HB3 PHE 35 1HB PHE 35 -6.760 9.186 -1.404
258 HD1 PHE 35 1HD PHE 35 -3.284 10.330 -1.418
259 HD2 PHE 35 2HD PHE 35 -6.442 8.691 -3.714
260 HE1 PHE 35 1HE PHE 35 -1.707 9.821 -3.222
261 HE2 PHE 35 2HE PHE 35 -4.935 8.178 -5.508
262 HZ PHE 35 HZ PHE 35 -2.524 8.728 -5.307
263 H CYS 36 H CYS 36 -6.044 13.486 -2.621
264 HA CYS 36 HA CYS 36 -3.661 13.992 -0.989
265 HB2 CYS 36 2HB CYS 36 -3.123 13.532 -3.280
266 HB3 CYS 36 1HB CYS 36 -4.201 14.813 -3.836
267 H HIS 37 H HIS 37 -4.393 15.274 0.538
268 HA HIS 37 HA HIS 37 -5.787 17.691 -0.353
269 HB2 HIS 37 2HB HIS 37 -5.830 16.379 2.377
270 HB3 HIS 37 1HB HIS 37 -6.688 17.852 1.933
271 HD1 HIS 37 1HD HIS 37 -7.522 14.541 2.558
272 HD2 HIS 37 2HD HIS 37 -8.251 17.061 -0.655
273 HE1 HIS 37 1HE HIS 37 -9.528 13.590 1.371
274 H CYS 38 H CYS 38 -2.889 16.546 0.470
275 HA CYS 38 HA CYS 38 -1.962 18.698 2.127
276 HB2 CYS 38 2HB CYS 38 -1.016 16.368 2.173
277 HB3 CYS 38 1HB CYS 38 -0.358 16.651 0.565
278 H ARG 39 H ARG 39 -1.987 20.566 1.209
279 HA ARG 39 HA ARG 39 -1.564 20.849 -1.674
280 HB2 ARG 39 2HB ARG 39 -2.582 22.802 0.377
281 HB3 ARG 39 1HB ARG 39 -2.452 23.114 -1.349
282 HG2 ARG 39 2HG ARG 39 -4.104 21.444 -1.841
283 HG3 ARG 39 1HG ARG 39 -4.136 20.925 -0.156
284 HD2 ARG 39 2HD ARG 39 -6.045 22.335 -0.677
285 HD3 ARG 39 1HD ARG 39 -4.991 23.097 0.510
286 HE ARG 39 HE ARG 39 -5.003 23.798 -2.348
287 HH11 ARG 39 1HH1 ARG 39 -4.849 24.789 1.043
288 HH12 ARG 39 2HH1 ARG 39 -4.778 26.461 0.680
289 HH21 ARG 39 1HH2 ARG 39 -4.939 26.103 -2.809
290 HH22 ARG 39 2HH2 ARG 39 -4.831 27.210 -1.513
Start of MODEL 14
1 H1 HIS 1 H HIS 1 17.272 2.673 16.176
2 HA HIS 1 HA HIS 1 19.978 3.318 15.821
3 HB2 HIS 1 2HB HIS 1 18.409 4.796 17.953
4 HB3 HIS 1 1HB HIS 1 20.154 4.602 18.002
5 HD1 HIS 1 1HD HIS 1 17.958 7.208 17.322
6 HD2 HIS 1 2HD HIS 1 21.061 5.506 15.136
7 HE1 HIS 1 1HE HIS 1 18.758 8.989 15.738
8 H GLY 2 H GLY 2 21.202 2.504 17.792
9 HA2 GLY 2 2HA GLY 2 21.212 1.142 19.733
10 HA3 GLY 2 1HA GLY 2 19.642 0.508 19.255
11 H GLU 3 H GLU 3 20.650 -1.560 19.623
12 HA GLU 3 HA GLU 3 22.113 -2.460 17.249
13 HB2 GLU 3 2HB GLU 3 22.648 -3.237 20.112
14 HB3 GLU 3 1HB GLU 3 23.380 -3.998 18.711
15 HG2 GLU 3 2HG GLU 3 24.492 -1.924 18.136
16 HG3 GLU 3 1HG GLU 3 23.696 -1.107 19.479
17 H GLY 4 H GLY 4 20.875 -3.890 16.264
18 HA2 GLY 4 2HA GLY 4 19.994 -6.048 16.085
19 HA3 GLY 4 1HA GLY 4 19.822 -6.089 17.831
20 H THR 5 H THR 5 18.611 -3.475 15.845
21 HA THR 5 HA THR 5 15.942 -4.459 16.454
22 HB THR 5 HB THR 5 16.256 -2.356 17.588
23 HG1 THR 5 1HG THR 5 14.623 -1.108 16.605
24 HG21 THR 5 3HG2 THR 5 18.120 -1.419 16.320
25 HG22 THR 5 1HG2 THR 5 16.802 -0.250 16.394
26 HG23 THR 5 2HG2 THR 5 17.077 -1.181 14.919
27 H PHE 6 H PHE 6 14.956 -5.326 14.788
28 HA PHE 6 HA PHE 6 15.631 -4.324 12.119
29 HB2 PHE 6 2HB PHE 6 14.791 -7.145 12.853
30 HB3 PHE 6 1HB PHE 6 15.299 -6.579 11.265
31 HD1 PHE 6 1HD PHE 6 17.694 -5.647 11.079
32 HD2 PHE 6 2HD PHE 6 16.353 -8.045 14.322
33 HE1 PHE 6 1HE PHE 6 20.028 -6.185 11.641
34 HE2 PHE 6 2HE PHE 6 18.681 -8.589 14.891
35 HZ PHE 6 HZ PHE 6 20.526 -7.653 13.549
36 H THR 7 H THR 7 13.936 -3.635 10.921
37 HA THR 7 HA THR 7 11.266 -4.382 11.829
38 HB THR 7 HB THR 7 12.103 -1.596 10.951
39 HG1 THR 7 1HG THR 7 11.828 -2.808 13.499
40 HG21 THR 7 3HG2 THR 7 9.517 -2.609 12.160
41 HG22 THR 7 1HG2 THR 7 9.752 -2.169 10.467
42 HG23 THR 7 2HG2 THR 7 9.873 -0.939 11.724
43 H SER 8 H SER 8 10.600 -5.630 10.182
44 HA SER 8 HA SER 8 10.448 -4.482 7.565
45 HB2 SER 8 2HB SER 8 11.459 -6.606 6.574
46 HB3 SER 8 1HB SER 8 12.592 -5.498 7.349
47 HG SER 8 HG SER 8 11.850 -7.048 9.268
48 H ASP 9 H ASP 9 8.383 -4.708 7.156
49 HA ASP 9 HA ASP 9 6.231 -5.532 6.942
50 HB2 ASP 9 2HB ASP 9 7.531 -7.503 5.875
51 HB3 ASP 9 1HB ASP 9 7.358 -8.305 7.429
52 H LEU 10 H LEU 10 7.695 -5.060 9.481
53 HA LEU 10 HA LEU 10 6.228 -6.518 11.485
54 HB2 LEU 10 2HB LEU 10 8.557 -5.815 11.845
55 HB3 LEU 10 1HB LEU 10 8.102 -4.147 11.625
56 HG LEU 10 HG LEU 10 7.028 -5.762 13.949
57 HD11 LEU 10 1HD1 LEU 10 9.478 -5.898 13.982
58 HD12 LEU 10 2HD1 LEU 10 8.878 -4.858 15.273
59 HD13 LEU 10 3HD1 LEU 10 9.576 -4.144 13.820
60 HD21 LEU 10 3HD2 LEU 10 7.535 -2.799 13.573
61 HD22 LEU 10 1HD2 LEU 10 6.803 -3.558 14.986
62 HD23 LEU 10 2HD2 LEU 10 5.968 -3.565 13.426
63 H SER 11 H SER 11 6.309 -3.256 10.153
64 HA SER 11 HA SER 11 3.891 -2.582 11.594
65 HB2 SER 11 2HB SER 11 5.461 -0.977 9.565
66 HB3 SER 11 1HB SER 11 4.235 -0.357 10.686
67 HG SER 11 HG SER 11 6.812 -0.567 11.060
68 H LYS 12 H LYS 12 4.932 -3.904 8.674
69 HA LYS 12 HA LYS 12 3.965 -4.736 6.812
70 HB2 LYS 12 2HB LYS 12 2.541 -5.700 8.627
71 HB3 LYS 12 1HB LYS 12 1.403 -4.397 8.343
72 HG2 LYS 12 2HG LYS 12 1.034 -5.205 6.079
73 HG3 LYS 12 1HG LYS 12 2.195 -6.511 6.371
74 HD2 LYS 12 2HD LYS 12 0.898 -7.293 8.186
75 HD3 LYS 12 1HD LYS 12 -0.280 -5.995 7.944
76 HE2 LYS 12 2HE LYS 12 -1.118 -8.079 6.940
77 HE3 LYS 12 1HE LYS 12 -0.767 -6.884 5.693
78 HZ1 LYS 12 3HZ LYS 12 0.957 -9.159 6.474
79 HZ2 LYS 12 1HZ LYS 12 1.364 -8.022 5.297
80 HZ3 LYS 12 2HZ LYS 12 0.063 -9.061 5.060
81 H GLN 13 H GLN 13 4.278 -1.963 7.088
82 HA GLN 13 HA GLN 13 2.015 -0.673 5.828
83 HB2 GLN 13 2HB GLN 13 3.335 1.397 6.008
84 HB3 GLN 13 1HB GLN 13 3.155 0.575 7.551
85 HG2 GLN 13 2HG GLN 13 5.411 -0.291 7.380
86 HG3 GLN 13 1HG GLN 13 5.591 0.448 5.790
87 HE21 GLN 13 1HE2 GLN 13 5.729 2.668 5.640
88 HE22 GLN 13 2HE2 GLN 13 6.202 3.632 6.993
89 H MET 14 H MET 14 1.950 0.134 3.820
90 HA MET 14 HA MET 14 4.204 -0.087 2.049
91 HB2 MET 14 2HB MET 14 3.039 -2.289 1.827
92 HB3 MET 14 1HB MET 14 1.550 -1.439 1.459
93 HG2 MET 14 2HG MET 14 2.597 -2.310 -0.561
94 HG3 MET 14 1HG MET 14 2.522 -0.551 -0.581
95 HE1 MET 14 3HE MET 14 5.086 -2.746 1.482
96 HE2 MET 14 1HE MET 14 6.392 -2.922 0.312
97 HE3 MET 14 2HE MET 14 4.828 -3.682 0.010
98 H GLU 15 H GLU 15 4.115 2.108 2.145
99 HA GLU 15 HA GLU 15 1.780 3.607 1.794
100 HB2 GLU 15 2HB GLU 15 4.613 4.520 1.279
101 HB3 GLU 15 1HB GLU 15 3.217 5.548 1.543
102 HG2 GLU 15 2HG GLU 15 4.185 5.633 3.600
103 HG3 GLU 15 1HG GLU 15 3.103 4.264 3.828
104 H GLU 16 H GLU 16 0.676 3.149 0.087
105 HA GLU 16 HA GLU 16 1.952 3.501 -2.530
106 HB2 GLU 16 2HB GLU 16 0.125 2.117 -3.446
107 HB3 GLU 16 1HB GLU 16 1.128 1.265 -2.285
108 HG2 GLU 16 2HG GLU 16 -0.555 1.538 -0.572
109 HG3 GLU 16 1HG GLU 16 -1.549 2.486 -1.677
110 H GLU 17 H GLU 17 -0.778 4.457 -0.467
111 HA GLU 17 HA GLU 17 -1.420 6.363 -2.463
112 HB2 GLU 17 2HB GLU 17 -3.767 6.179 -1.662
113 HB3 GLU 17 1HB GLU 17 -3.135 4.740 -2.447
114 HG2 GLU 17 2HG GLU 17 -4.457 3.964 -0.666
115 HG3 GLU 17 1HG GLU 17 -2.793 3.764 -0.147
116 H ALA 18 H ALA 18 -2.449 8.025 -1.520
117 HA ALA 18 HA ALA 18 -2.149 10.125 -0.487
118 HB1 ALA 18 1HB ALA 18 -1.871 8.447 2.012
119 HB2 ALA 18 2HB ALA 18 -3.398 9.049 1.346
120 HB3 ALA 18 3HB ALA 18 -2.177 10.175 1.957
121 H VAL 19 H VAL 19 0.320 8.127 -0.850
122 HA VAL 19 HA VAL 19 2.258 10.061 0.137
123 HB VAL 19 HB VAL 19 2.585 7.674 0.765
124 HG11 VAL 19 1HG1 VAL 19 1.632 6.614 -1.177
125 HG12 VAL 19 2HG1 VAL 19 3.272 6.036 -0.896
126 HG13 VAL 19 3HG1 VAL 19 2.956 7.211 -2.177
127 HG21 VAL 19 3HG2 VAL 19 4.519 9.127 0.649
128 HG22 VAL 19 1HG2 VAL 19 4.705 8.767 -1.070
129 HG23 VAL 19 2HG2 VAL 19 4.949 7.493 0.132
130 H ARG 20 H ARG 20 0.664 8.805 -2.576
131 HA ARG 20 HA ARG 20 2.480 9.399 -4.623
132 HB2 ARG 20 2HB ARG 20 -0.451 8.879 -4.544
133 HB3 ARG 20 1HB ARG 20 0.263 9.382 -6.055
134 HG2 ARG 20 2HG ARG 20 0.971 6.941 -4.438
135 HG3 ARG 20 1HG ARG 20 0.061 6.979 -5.949
136 HD2 ARG 20 2HD ARG 20 2.952 7.798 -5.591
137 HD3 ARG 20 1HD ARG 20 2.390 6.319 -6.342
138 HE ARG 20 HE ARG 20 1.255 7.873 -7.981
139 HH11 ARG 20 1HH1 ARG 20 4.327 8.652 -6.397
140 HH12 ARG 20 2HH1 ARG 20 4.892 9.618 -7.673
141 HH21 ARG 20 1HH2 ARG 20 2.048 9.221 -9.711
142 HH22 ARG 20 2HH2 ARG 20 3.575 9.957 -9.598
143 H CYS 21 H CYS 21 0.181 11.427 -2.959
144 HA CYS 21 HA CYS 21 0.944 13.581 -4.775
145 HB2 CYS 21 2HB CYS 21 -1.490 13.173 -4.432
146 HB3 CYS 21 1HB CYS 21 -1.302 13.556 -2.737
147 H PHE 22 H PHE 22 1.793 12.202 -1.935
148 HA PHE 22 HA PHE 22 1.929 14.394 -0.132
149 HB2 PHE 22 2HB PHE 22 1.881 11.992 0.478
150 HB3 PHE 22 1HB PHE 22 3.518 11.837 -0.155
151 HD1 PHE 22 2HD PHE 22 5.392 12.853 1.071
152 HD2 PHE 22 1HD PHE 22 1.422 12.926 2.562
153 HE1 PHE 22 2HE PHE 22 6.262 13.401 3.284
154 HE2 PHE 22 1HE PHE 22 2.246 13.459 4.787
155 HZ PHE 22 HZ PHE 22 4.695 13.712 5.180
156 H ILE 23 H ILE 23 4.389 12.681 -2.008
157 HA ILE 23 HA ILE 23 6.500 14.447 -1.331
158 HB ILE 23 HB ILE 23 6.308 12.579 -3.722
159 HG12 ILE 23 2HG1 ILE 23 5.879 11.368 -1.603
160 HG13 ILE 23 1HG1 ILE 23 7.392 10.876 -2.345
161 HG21 ILE 23 1HG2 ILE 23 8.755 12.540 -3.596
162 HG22 ILE 23 2HG2 ILE 23 8.691 13.706 -2.273
163 HG23 ILE 23 3HG2 ILE 23 8.139 14.172 -3.886
164 HD11 ILE 23 3HD1 ILE 23 8.630 12.224 -0.744
165 HD12 ILE 23 1HD1 ILE 23 7.578 11.079 0.082
166 HD13 ILE 23 2HD1 ILE 23 7.127 12.784 -0.021
167 H GLU 24 H GLU 24 4.100 14.350 -3.784
168 HA GLU 24 HA GLU 24 5.294 16.239 -5.573
169 HB2 GLU 24 2HB GLU 24 2.420 15.410 -5.371
170 HB3 GLU 24 1HB GLU 24 3.228 16.083 -6.785
171 HG2 GLU 24 2HG GLU 24 3.608 13.431 -5.496
172 HG3 GLU 24 1HG GLU 24 2.910 13.740 -7.078
173 H CYS 25 H CYS 25 2.868 16.307 -3.090
174 HA CYS 25 HA CYS 25 2.079 19.006 -3.243
175 HB2 CYS 25 2HB CYS 25 0.728 17.499 -1.994
176 HB3 CYS 25 1HB CYS 25 2.084 16.999 -0.997
177 H LEU 26 H LEU 26 4.772 17.406 -1.829
178 HA LEU 26 HA LEU 26 5.648 19.571 -0.220
179 HB2 LEU 26 2HB LEU 26 6.138 17.169 0.197
180 HB3 LEU 26 1HB LEU 26 7.135 17.166 -1.241
181 HG LEU 26 HG LEU 26 8.704 18.701 -0.187
182 HD11 LEU 26 1HD1 LEU 26 8.473 19.266 2.187
183 HD12 LEU 26 2HD1 LEU 26 6.873 18.519 2.201
184 HD13 LEU 26 3HD1 LEU 26 7.173 19.951 1.217
185 HD21 LEU 26 3HD2 LEU 26 9.038 16.309 0.090
186 HD22 LEU 26 1HD2 LEU 26 8.019 16.321 1.530
187 HD23 LEU 26 2HD2 LEU 26 9.557 17.183 1.533
188 H LYS 27 H LYS 27 5.588 19.136 -3.549
189 HA LYS 27 HA LYS 27 7.249 21.358 -3.800
190 HB2 LYS 27 2HB LYS 27 8.608 20.316 -5.768
191 HB3 LYS 27 1HB LYS 27 9.107 20.128 -4.099
192 HG2 LYS 27 2HG LYS 27 9.435 18.037 -5.226
193 HG3 LYS 27 1HG LYS 27 8.076 17.855 -4.122
194 HD2 LYS 27 2HD LYS 27 6.527 18.109 -5.996
195 HD3 LYS 27 1HD LYS 27 7.887 18.326 -7.096
196 HE2 LYS 27 2HE LYS 27 7.347 15.852 -5.452
197 HE3 LYS 27 1HE LYS 27 6.974 16.033 -7.164
198 HZ1 LYS 27 3HZ LYS 27 9.016 14.858 -6.875
199 HZ2 LYS 27 1HZ LYS 27 9.672 16.087 -5.930
200 HZ3 LYS 27 2HZ LYS 27 9.349 16.350 -7.560
201 H GLY 28 H GLY 28 5.143 22.162 -4.214
202 HA2 GLY 28 2HA GLY 28 4.569 23.706 -5.969
203 HA3 GLY 28 1HA GLY 28 5.040 22.499 -7.127
204 H ILE 29 H ILE 29 3.099 20.470 -5.555
205 HA ILE 29 HA ILE 29 0.926 21.681 -6.899
206 HB ILE 29 HB ILE 29 0.120 19.590 -7.848
207 HG12 ILE 29 2HG1 ILE 29 1.878 17.649 -7.966
208 HG13 ILE 29 1HG1 ILE 29 2.462 18.338 -6.455
209 HG21 ILE 29 1HG2 ILE 29 1.837 19.223 -9.557
210 HG22 ILE 29 2HG2 ILE 29 2.958 20.177 -8.578
211 HG23 ILE 29 3HG2 ILE 29 1.503 20.925 -9.231
212 HD11 ILE 29 3HD1 ILE 29 0.901 16.518 -6.019
213 HD12 ILE 29 1HD1 ILE 29 -0.326 17.337 -6.988
214 HD13 ILE 29 2HD1 ILE 29 0.225 18.065 -5.494
215 H GLY 30 H GLY 30 -0.359 22.068 -5.839
216 HA2 GLY 30 2HA GLY 30 -1.169 20.727 -3.331
217 HA3 GLY 30 1HA GLY 30 -1.771 22.299 -3.849
218 H HIS 31 H HIS 31 -2.309 18.962 -3.795
219 HA HIS 31 HA HIS 31 -4.060 17.632 -4.234
220 HB2 HIS 31 2HB HIS 31 -5.475 19.453 -3.236
221 HB3 HIS 31 1HB HIS 31 -5.643 20.134 -4.842
222 HD1 HIS 31 1HD HIS 31 -7.731 19.444 -6.030
223 HD2 HIS 31 2HD HIS 31 -6.603 16.727 -3.096
224 HE1 HIS 31 1HE HIS 31 -9.534 17.670 -5.982
225 H LYS 32 H LYS 32 -3.038 16.693 -5.947
226 HA LYS 32 HA LYS 32 -4.206 17.369 -8.579
227 HB2 LYS 32 2HB LYS 32 -1.740 17.617 -8.462
228 HB3 LYS 32 1HB LYS 32 -1.603 15.942 -7.942
229 HG2 LYS 32 2HG LYS 32 -2.579 15.266 -10.130
230 HG3 LYS 32 1HG LYS 32 -2.506 16.956 -10.629
231 HD2 LYS 32 2HD LYS 32 -0.086 16.955 -10.304
232 HD3 LYS 32 1HD LYS 32 -0.159 15.281 -9.755
233 HE2 LYS 32 2HE LYS 32 -1.059 14.612 -11.935
234 HE3 LYS 32 1HE LYS 32 -0.938 16.277 -12.492
235 HZ1 LYS 32 3HZ LYS 32 1.461 16.157 -12.177
236 HZ2 LYS 32 1HZ LYS 32 0.936 14.937 -13.224
237 HZ3 LYS 32 2HZ LYS 32 1.320 14.576 -11.620
238 H TYR 33 H TYR 33 -4.518 15.385 -6.041
239 HA TYR 33 HA TYR 33 -5.363 13.058 -7.605
240 HB2 TYR 33 2HB TYR 33 -3.691 12.988 -5.082
241 HB3 TYR 33 1HB TYR 33 -4.399 11.585 -5.831
242 HD1 TYR 33 1HD TYR 33 -1.902 14.288 -6.307
243 HD2 TYR 33 2HD TYR 33 -3.197 10.444 -7.562
244 HE1 TYR 33 1HE TYR 33 0.166 14.027 -7.527
245 HE2 TYR 33 2HE TYR 33 -1.111 10.153 -8.808
246 HH TYR 33 HH TYR 33 1.572 12.164 -8.357
247 HA PRO 34 HA PRO 34 -9.068 13.499 -5.156
248 HB2 PRO 34 2HB PRO 34 -9.636 10.808 -4.750
249 HB3 PRO 34 1HB PRO 34 -10.038 11.717 -6.205
250 HG2 PRO 34 2HG PRO 34 -7.703 9.934 -5.704
251 HG3 PRO 34 1HG PRO 34 -8.731 10.064 -7.142
252 HD2 PRO 34 2HD PRO 34 -6.333 11.174 -7.093
253 HD3 PRO 34 1HD PRO 34 -7.702 12.029 -7.838
254 H PHE 35 H PHE 35 -6.683 11.226 -3.984
255 HA PHE 35 HA PHE 35 -7.602 11.425 -1.218
256 HB2 PHE 35 2HB PHE 35 -5.813 9.619 -0.895
257 HB3 PHE 35 1HB PHE 35 -7.219 9.207 -1.879
258 HD1 PHE 35 2HD PHE 35 -3.653 10.087 -2.001
259 HD2 PHE 35 1HD PHE 35 -7.029 8.709 -4.153
260 HE1 PHE 35 2HE PHE 35 -2.202 9.520 -3.900
261 HE2 PHE 35 1HE PHE 35 -5.650 8.158 -6.046
262 HZ PHE 35 HZ PHE 35 -3.194 8.538 -5.955
263 H CYS 36 H CYS 36 -6.078 13.486 -2.814
264 HA CYS 36 HA CYS 36 -3.629 13.664 -1.274
265 HB2 CYS 36 2HB CYS 36 -3.395 14.088 -3.582
266 HB3 CYS 36 1HB CYS 36 -4.657 15.302 -3.605
267 H HIS 37 H HIS 37 -4.136 14.180 0.683
268 HA HIS 37 HA HIS 37 -6.025 16.319 1.206
269 HB2 HIS 37 2HB HIS 37 -4.606 14.471 3.134
270 HB3 HIS 37 1HB HIS 37 -5.926 15.565 3.526
271 HD1 HIS 37 1HD HIS 37 -5.454 12.120 3.034
272 HD2 HIS 37 2HD HIS 37 -8.205 14.861 1.566
273 HE1 HIS 37 1HE HIS 37 -7.433 10.772 2.304
274 H CYS 38 H CYS 38 -2.705 15.767 0.988
275 HA CYS 38 HA CYS 38 -1.637 17.576 2.832
276 HB2 CYS 38 2HB CYS 38 -0.261 15.943 1.648
277 HB3 CYS 38 1HB CYS 38 -0.583 16.769 0.124
278 H ARG 39 H ARG 39 -2.370 19.556 2.965
279 HA ARG 39 HA ARG 39 -2.017 21.372 0.730
280 HB2 ARG 39 2HB ARG 39 -4.268 22.294 0.894
281 HB3 ARG 39 1HB ARG 39 -4.328 20.599 0.467
282 HG2 ARG 39 2HG ARG 39 -4.805 20.083 2.867
283 HG3 ARG 39 1HG ARG 39 -4.948 21.820 3.145
284 HD2 ARG 39 2HD ARG 39 -7.147 20.909 2.777
285 HD3 ARG 39 1HD ARG 39 -6.690 21.907 1.395
286 HE ARG 39 HE ARG 39 -6.372 18.993 1.351
287 HH11 ARG 39 1HH1 ARG 39 -7.719 21.933 -0.106
288 HH12 ARG 39 2HH1 ARG 39 -8.320 21.143 -1.493
289 HH21 ARG 39 1HH2 ARG 39 -7.227 17.908 -0.622
290 HH22 ARG 39 2HH2 ARG 39 -8.052 18.861 -1.773
Start of MODEL 15
1 H1 HIS 1 H HIS 1 4.872 -6.645 -23.574
2 HA HIS 1 HA HIS 1 6.018 -9.113 -23.345
3 HB2 HIS 1 2HB HIS 1 6.945 -7.252 -21.150
4 HB3 HIS 1 1HB HIS 1 7.073 -9.007 -21.095
5 HD1 HIS 1 1HD HIS 1 8.881 -6.041 -22.204
6 HD2 HIS 1 2HD HIS 1 8.748 -10.064 -23.196
7 HE1 HIS 1 1HE HIS 1 10.991 -6.508 -23.505
8 H GLY 2 H GLY 2 4.556 -6.570 -21.353
9 HA2 GLY 2 2HA GLY 2 2.481 -6.555 -20.365
10 HA3 GLY 2 1HA GLY 2 2.174 -8.136 -21.080
11 H GLU 3 H GLU 3 1.318 -8.976 -19.203
12 HA GLU 3 HA GLU 3 1.293 -10.206 -17.339
13 HB2 GLU 3 2HB GLU 3 3.378 -11.288 -18.081
14 HB3 GLU 3 1HB GLU 3 4.316 -9.970 -17.403
15 HG2 GLU 3 2HG GLU 3 4.425 -11.963 -16.011
16 HG3 GLU 3 1HG GLU 3 3.646 -10.628 -15.166
17 H GLY 4 H GLY 4 1.035 -9.908 -15.196
18 HA2 GLY 4 2HA GLY 4 1.255 -7.143 -14.341
19 HA3 GLY 4 1HA GLY 4 0.389 -8.433 -13.505
20 H THR 5 H THR 5 3.604 -7.386 -14.370
21 HA THR 5 HA THR 5 4.725 -8.864 -12.133
22 HB THR 5 HB THR 5 6.156 -7.242 -14.252
23 HG1 THR 5 1HG THR 5 5.198 -9.869 -14.126
24 HG21 THR 5 3HG2 THR 5 8.097 -8.618 -13.600
25 HG22 THR 5 1HG2 THR 5 7.116 -9.425 -12.378
26 HG23 THR 5 2HG2 THR 5 7.482 -7.708 -12.220
27 H PHE 6 H PHE 6 4.663 -7.814 -10.253
28 HA PHE 6 HA PHE 6 5.115 -4.932 -10.248
29 HB2 PHE 6 2HB PHE 6 3.078 -5.865 -9.070
30 HB3 PHE 6 1HB PHE 6 4.169 -6.702 -7.973
31 HD1 PHE 6 1HD PHE 6 2.944 -3.413 -9.065
32 HD2 PHE 6 2HD PHE 6 5.276 -5.522 -6.193
33 HE1 PHE 6 1HE PHE 6 3.023 -1.405 -7.660
34 HE2 PHE 6 2HE PHE 6 5.359 -3.520 -4.787
35 HZ PHE 6 HZ PHE 6 4.229 -1.451 -5.515
36 H THR 7 H THR 7 7.022 -4.225 -9.479
37 HA THR 7 HA THR 7 8.954 -6.263 -8.759
38 HB THR 7 HB THR 7 9.412 -3.298 -9.144
39 HG1 THR 7 1HG THR 7 8.455 -4.569 -10.978
40 HG21 THR 7 3HG2 THR 7 11.724 -3.995 -9.611
41 HG22 THR 7 1HG2 THR 7 11.272 -5.679 -9.342
42 HG23 THR 7 2HG2 THR 7 11.224 -4.529 -8.006
43 H SER 8 H SER 8 9.349 -6.704 -6.711
44 HA SER 8 HA SER 8 8.221 -5.332 -4.552
45 HB2 SER 8 2HB SER 8 10.551 -7.252 -4.567
46 HB3 SER 8 1HB SER 8 9.529 -6.852 -3.189
47 HG SER 8 HG SER 8 8.974 -8.417 -5.446
48 H ASP 9 H ASP 9 9.040 -3.830 -3.204
49 HA ASP 9 HA ASP 9 10.381 -2.265 -2.238
50 HB2 ASP 9 2HB ASP 9 11.861 -4.188 -1.881
51 HB3 ASP 9 1HB ASP 9 12.615 -3.946 -3.437
52 H LEU 10 H LEU 10 9.387 -2.077 -4.924
53 HA LEU 10 HA LEU 10 11.217 -0.599 -6.608
54 HB2 LEU 10 2HB LEU 10 9.170 -1.935 -7.344
55 HB3 LEU 10 1HB LEU 10 8.189 -0.655 -6.697
56 HG LEU 10 HG LEU 10 10.076 -0.375 -9.061
57 HD11 LEU 10 1HD1 LEU 10 8.245 -1.832 -9.627
58 HD12 LEU 10 2HD1 LEU 10 7.961 -0.251 -10.359
59 HD13 LEU 10 3HD1 LEU 10 7.097 -0.714 -8.903
60 HD21 LEU 10 3HD2 LEU 10 8.907 1.740 -9.491
61 HD22 LEU 10 1HD2 LEU 10 9.692 1.773 -7.912
62 HD23 LEU 10 2HD2 LEU 10 7.953 1.515 -8.023
63 H SER 11 H SER 11 8.467 0.221 -4.519
64 HA SER 11 HA SER 11 9.352 3.008 -4.514
65 HB2 SER 11 2HB SER 11 7.046 3.385 -3.547
66 HB3 SER 11 1HB SER 11 7.065 2.775 -5.203
67 HG SER 11 HG SER 11 5.626 1.742 -3.580
68 H LYS 12 H LYS 12 9.217 0.140 -2.805
69 HA LYS 12 HA LYS 12 10.081 -0.602 -0.877
70 HB2 LYS 12 2HB LYS 12 11.746 1.221 -1.555
71 HB3 LYS 12 1HB LYS 12 11.021 2.178 -0.274
72 HG2 LYS 12 2HG LYS 12 11.644 0.446 1.335
73 HG3 LYS 12 1HG LYS 12 12.388 -0.477 0.024
74 HD2 LYS 12 2HD LYS 12 13.705 1.583 -0.485
75 HD3 LYS 12 1HD LYS 12 13.164 2.209 1.075
76 HE2 LYS 12 2HE LYS 12 15.321 1.175 1.409
77 HE3 LYS 12 1HE LYS 12 14.095 0.142 2.144
78 HZ1 LYS 12 3HZ LYS 12 15.622 -1.205 0.906
79 HZ2 LYS 12 1HZ LYS 12 15.421 -0.274 -0.478
80 HZ3 LYS 12 2HZ LYS 12 14.154 -1.226 0.067
81 H GLN 13 H GLN 13 7.500 1.050 -1.134
82 HA GLN 13 HA GLN 13 6.758 0.856 1.677
83 HB2 GLN 13 2HB GLN 13 6.204 3.272 -0.060
84 HB3 GLN 13 1HB GLN 13 5.466 2.986 1.504
85 HG2 GLN 13 2HG GLN 13 7.697 3.120 2.552
86 HG3 GLN 13 1HG GLN 13 8.397 3.447 0.970
87 HE21 GLN 13 1HE2 GLN 13 6.171 5.151 0.115
88 HE22 GLN 13 2HE2 GLN 13 6.336 6.610 1.017
89 H MET 14 H MET 14 4.751 0.032 1.915
90 HA MET 14 HA MET 14 3.324 -0.938 -0.374
91 HB2 MET 14 2HB MET 14 3.304 -2.163 1.761
92 HB3 MET 14 1HB MET 14 2.535 -0.799 2.548
93 HG2 MET 14 2HG MET 14 0.536 -1.116 1.212
94 HG3 MET 14 1HG MET 14 1.303 -2.443 0.345
95 HE1 MET 14 3HE MET 14 -1.540 -2.715 1.720
96 HE2 MET 14 1HE MET 14 -1.387 -4.292 2.494
97 HE3 MET 14 2HE MET 14 -0.734 -4.035 0.876
98 H GLU 15 H GLU 15 3.332 1.842 1.510
99 HA GLU 15 HA GLU 15 0.789 2.947 1.118
100 HB2 GLU 15 2HB GLU 15 3.466 4.303 1.397
101 HB3 GLU 15 1HB GLU 15 1.900 5.058 1.625
102 HG2 GLU 15 2HG GLU 15 2.933 2.780 3.281
103 HG3 GLU 15 1HG GLU 15 3.087 4.483 3.715
104 H GLU 16 H GLU 16 -0.048 3.523 -0.804
105 HA GLU 16 HA GLU 16 1.752 4.884 -2.662
106 HB2 GLU 16 2HB GLU 16 0.345 4.189 -4.559
107 HB3 GLU 16 1HB GLU 16 1.039 2.813 -3.729
108 HG2 GLU 16 2HG GLU 16 -1.091 2.392 -2.645
109 HG3 GLU 16 1HG GLU 16 -1.785 3.800 -3.457
110 H GLU 17 H GLU 17 -1.456 4.763 -1.215
111 HA GLU 17 HA GLU 17 -2.042 7.276 -2.279
112 HB2 GLU 17 2HB GLU 17 -4.115 7.041 -0.887
113 HB3 GLU 17 1HB GLU 17 -3.898 5.767 -2.073
114 HG2 GLU 17 2HG GLU 17 -3.055 4.299 -0.298
115 HG3 GLU 17 1HG GLU 17 -3.373 5.571 0.884
116 H ALA 18 H ALA 18 -1.926 8.850 -1.347
117 HA ALA 18 HA ALA 18 -1.284 10.664 -0.083
118 HB1 ALA 18 1HB ALA 18 -1.101 10.525 2.347
119 HB2 ALA 18 2HB ALA 18 -1.153 8.761 2.253
120 HB3 ALA 18 3HB ALA 18 -2.558 9.713 1.761
121 H VAL 19 H VAL 19 0.738 8.251 -0.964
122 HA VAL 19 HA VAL 19 2.946 9.940 -0.119
123 HB VAL 19 HB VAL 19 3.337 7.532 0.390
124 HG11 VAL 19 1HG1 VAL 19 2.041 6.599 -1.435
125 HG12 VAL 19 2HG1 VAL 19 3.666 5.927 -1.361
126 HG13 VAL 19 3HG1 VAL 19 3.264 7.144 -2.582
127 HG21 VAL 19 3HG2 VAL 19 5.210 8.995 -0.065
128 HG22 VAL 19 1HG2 VAL 19 5.096 8.599 -1.778
129 HG23 VAL 19 2HG2 VAL 19 5.541 7.342 -0.611
130 H ARG 20 H ARG 20 1.266 8.576 -2.848
131 HA ARG 20 HA ARG 20 2.709 9.758 -4.916
132 HB2 ARG 20 2HB ARG 20 -0.063 8.783 -4.539
133 HB3 ARG 20 1HB ARG 20 0.231 9.695 -5.992
134 HG2 ARG 20 2HG ARG 20 1.686 7.191 -5.128
135 HG3 ARG 20 1HG ARG 20 0.387 7.255 -6.315
136 HD2 ARG 20 2HD ARG 20 1.797 8.747 -7.717
137 HD3 ARG 20 1HD ARG 20 3.100 8.579 -6.544
138 HE ARG 20 HE ARG 20 2.345 6.030 -7.270
139 HH11 ARG 20 1HH1 ARG 20 3.772 8.835 -8.908
140 HH12 ARG 20 2HH1 ARG 20 4.639 7.879 -10.032
141 HH21 ARG 20 1HH2 ARG 20 3.527 4.757 -8.842
142 HH22 ARG 20 2HH2 ARG 20 4.505 5.527 -9.985
143 H CYS 21 H CYS 21 0.693 11.084 -2.598
144 HA CYS 21 HA CYS 21 0.308 13.624 -4.011
145 HB2 CYS 21 2HB CYS 21 -1.685 12.894 -2.877
146 HB3 CYS 21 1HB CYS 21 -0.793 12.522 -1.415
147 H PHE 22 H PHE 22 1.885 12.116 -1.312
148 HA PHE 22 HA PHE 22 2.777 14.225 0.208
149 HB2 PHE 22 2HB PHE 22 2.734 11.770 0.680
150 HB3 PHE 22 1HB PHE 22 4.166 11.617 -0.324
151 HD1 PHE 22 2HD PHE 22 6.275 12.755 0.459
152 HD2 PHE 22 1HD PHE 22 2.810 12.338 2.846
153 HE1 PHE 22 2HE PHE 22 7.644 13.114 2.460
154 HE2 PHE 22 1HE PHE 22 4.121 12.679 4.868
155 HZ PHE 22 HZ PHE 22 6.568 13.078 4.702
156 H ILE 23 H ILE 23 4.602 12.336 -2.207
157 HA ILE 23 HA ILE 23 6.944 13.887 -2.053
158 HB ILE 23 HB ILE 23 6.055 12.174 -4.400
159 HG12 ILE 23 2HG1 ILE 23 5.996 10.888 -2.285
160 HG13 ILE 23 1HG1 ILE 23 7.267 10.321 -3.357
161 HG21 ILE 23 1HG2 ILE 23 8.809 12.993 -3.485
162 HG22 ILE 23 2HG2 ILE 23 7.964 13.637 -4.888
163 HG23 ILE 23 3HG2 ILE 23 8.457 11.939 -4.857
164 HD11 ILE 23 3HD1 ILE 23 7.644 12.097 -0.949
165 HD12 ILE 23 1HD1 ILE 23 8.922 11.527 -2.021
166 HD13 ILE 23 2HD1 ILE 23 8.012 10.374 -1.047
167 H GLU 24 H GLU 24 4.114 14.147 -4.075
168 HA GLU 24 HA GLU 24 5.261 16.072 -5.871
169 HB2 GLU 24 2HB GLU 24 2.338 15.524 -5.432
170 HB3 GLU 24 1HB GLU 24 3.103 16.206 -6.861
171 HG2 GLU 24 2HG GLU 24 3.286 13.433 -5.814
172 HG3 GLU 24 1HG GLU 24 2.418 13.952 -7.249
173 H CYS 25 H CYS 25 3.101 16.134 -3.098
174 HA CYS 25 HA CYS 25 2.607 18.946 -3.164
175 HB2 CYS 25 2HB CYS 25 1.099 17.414 -1.966
176 HB3 CYS 25 1HB CYS 25 2.379 17.051 -0.814
177 H LEU 26 H LEU 26 5.073 16.964 -1.767
178 HA LEU 26 HA LEU 26 6.369 18.759 -0.106
179 HB2 LEU 26 2HB LEU 26 6.888 16.355 -0.356
180 HB3 LEU 26 1HB LEU 26 7.534 16.669 -1.948
181 HG LEU 26 HG LEU 26 9.340 18.011 -0.926
182 HD11 LEU 26 1HD1 LEU 26 8.167 17.040 1.677
183 HD12 LEU 26 2HD1 LEU 26 8.168 18.707 1.103
184 HD13 LEU 26 3HD1 LEU 26 9.691 17.908 1.484
185 HD21 LEU 26 3HD2 LEU 26 9.035 15.205 0.131
186 HD22 LEU 26 1HD2 LEU 26 10.547 16.106 0.027
187 HD23 LEU 26 2HD2 LEU 26 9.683 15.663 -1.444
188 H LYS 27 H LYS 27 6.263 18.469 -3.559
189 HA LYS 27 HA LYS 27 8.234 20.539 -4.065
190 HB2 LYS 27 2HB LYS 27 6.231 19.319 -5.990
191 HB3 LYS 27 1HB LYS 27 7.694 20.185 -6.411
192 HG2 LYS 27 2HG LYS 27 7.539 17.472 -5.108
193 HG3 LYS 27 1HG LYS 27 7.943 17.804 -6.791
194 HD2 LYS 27 2HD LYS 27 9.939 19.034 -6.047
195 HD3 LYS 27 1HD LYS 27 9.523 18.672 -4.374
196 HE2 LYS 27 2HE LYS 27 11.222 17.126 -5.197
197 HE3 LYS 27 1HE LYS 27 9.724 16.281 -4.819
198 HZ1 LYS 27 3HZ LYS 27 10.737 15.560 -6.909
199 HZ2 LYS 27 1HZ LYS 27 10.568 17.097 -7.556
200 HZ3 LYS 27 2HZ LYS 27 9.200 16.176 -7.172
201 H GLY 28 H GLY 28 4.774 20.030 -4.704
202 HA2 GLY 28 2HA GLY 28 3.435 21.911 -3.512
203 HA3 GLY 28 1HA GLY 28 4.259 22.925 -4.678
204 H ILE 29 H ILE 29 1.664 20.734 -4.164
205 HA ILE 29 HA ILE 29 0.705 21.407 -6.693
206 HB ILE 29 HB ILE 29 -0.145 19.106 -7.180
207 HG12 ILE 29 2HG1 ILE 29 1.301 17.180 -6.233
208 HG13 ILE 29 1HG1 ILE 29 1.673 18.281 -4.918
209 HG21 ILE 29 1HG2 ILE 29 1.924 18.196 -8.121
210 HG22 ILE 29 2HG2 ILE 29 2.809 19.406 -7.176
211 HG23 ILE 29 3HG2 ILE 29 1.686 19.923 -8.432
212 HD11 ILE 29 3HD1 ILE 29 -0.093 16.842 -4.214
213 HD12 ILE 29 1HD1 ILE 29 -1.011 17.177 -5.697
214 HD13 ILE 29 2HD1 ILE 29 -0.765 18.456 -4.528
215 H GLY 30 H GLY 30 -0.986 22.091 -6.409
216 HA2 GLY 30 2HA GLY 30 -2.537 21.934 -3.982
217 HA3 GLY 30 1HA GLY 30 -3.052 22.781 -5.438
218 H HIS 31 H HIS 31 -3.036 19.797 -3.715
219 HA HIS 31 HA HIS 31 -4.122 17.815 -3.860
220 HB2 HIS 31 2HB HIS 31 -6.247 19.748 -4.639
221 HB3 HIS 31 1HB HIS 31 -6.614 18.072 -4.184
222 HD1 HIS 31 1HD HIS 31 -6.791 17.663 -1.624
223 HD2 HIS 31 2HD HIS 31 -5.333 21.424 -2.606
224 HE1 HIS 31 1HE HIS 31 -6.830 19.014 0.514
225 H LYS 32 H LYS 32 -2.948 16.889 -5.566
226 HA LYS 32 HA LYS 32 -4.012 17.219 -8.278
227 HB2 LYS 32 2HB LYS 32 -1.551 17.474 -7.701
228 HB3 LYS 32 1HB LYS 32 -1.512 15.736 -7.453
229 HG2 LYS 32 2HG LYS 32 -0.651 16.215 -9.624
230 HG3 LYS 32 1HG LYS 32 -2.242 15.474 -9.831
231 HD2 LYS 32 2HD LYS 32 -3.226 17.725 -10.080
232 HD3 LYS 32 1HD LYS 32 -1.615 18.416 -9.924
233 HE2 LYS 32 2HE LYS 32 -0.915 17.218 -11.934
234 HE3 LYS 32 1HE LYS 32 -2.534 16.536 -12.086
235 HZ1 LYS 32 3HZ LYS 32 -1.843 19.410 -12.176
236 HZ2 LYS 32 1HZ LYS 32 -3.403 18.790 -12.326
237 HZ3 LYS 32 2HZ LYS 32 -2.244 18.464 -13.505
238 H TYR 33 H TYR 33 -4.716 15.203 -5.816
239 HA TYR 33 HA TYR 33 -5.399 12.960 -7.565
240 HB2 TYR 33 2HB TYR 33 -3.971 12.506 -4.913
241 HB3 TYR 33 1HB TYR 33 -4.544 11.298 -6.012
242 HD1 TYR 33 1HD TYR 33 -2.008 13.965 -5.626
243 HD2 TYR 33 2HD TYR 33 -3.209 10.503 -7.775
244 HE1 TYR 33 1HE TYR 33 0.183 13.874 -6.689
245 HE2 TYR 33 2HE TYR 33 -1.021 10.408 -8.841
246 HH TYR 33 HH TYR 33 1.612 12.202 -7.733
247 HA PRO 34 HA PRO 34 -9.198 12.966 -5.198
248 HB2 PRO 34 2HB PRO 34 -9.371 10.191 -4.745
249 HB3 PRO 34 1HB PRO 34 -10.014 11.037 -6.150
250 HG2 PRO 34 2HG PRO 34 -7.450 9.565 -5.851
251 HG3 PRO 34 1HG PRO 34 -8.553 9.654 -7.237
252 HD2 PRO 34 2HD PRO 34 -6.285 11.014 -7.230
253 HD3 PRO 34 1HD PRO 34 -7.767 11.751 -7.874
254 H PHE 35 H PHE 35 -6.677 10.816 -4.042
255 HA PHE 35 HA PHE 35 -7.517 10.996 -1.266
256 HB2 PHE 35 2HB PHE 35 -5.599 9.346 -0.966
257 HB3 PHE 35 1HB PHE 35 -6.958 8.819 -1.957
258 HD1 PHE 35 2HD PHE 35 -3.479 9.991 -2.044
259 HD2 PHE 35 1HD PHE 35 -6.714 8.368 -4.250
260 HE1 PHE 35 2HE PHE 35 -1.963 9.548 -3.936
261 HE2 PHE 35 1HE PHE 35 -5.282 7.940 -6.121
262 HZ PHE 35 HZ PHE 35 -2.854 8.507 -6.001
263 H CYS 36 H CYS 36 -6.138 13.166 -2.907
264 HA CYS 36 HA CYS 36 -3.761 13.535 -1.256
265 HB2 CYS 36 2HB CYS 36 -3.417 13.700 -3.645
266 HB3 CYS 36 1HB CYS 36 -4.627 14.975 -3.781
267 H HIS 37 H HIS 37 -4.055 14.711 0.505
268 HA HIS 37 HA HIS 37 -6.005 16.894 0.408
269 HB2 HIS 37 2HB HIS 37 -5.481 14.985 2.695
270 HB3 HIS 37 1HB HIS 37 -6.426 16.461 2.845
271 HD1 HIS 37 1HD HIS 37 -8.778 16.486 1.619
272 HD2 HIS 37 2HD HIS 37 -6.764 12.846 1.538
273 HE1 HIS 37 1HE HIS 37 -10.456 14.802 0.879
274 H CYS 38 H CYS 38 -2.978 16.533 0.177
275 HA CYS 38 HA CYS 38 -1.928 17.940 2.420
276 HB2 CYS 38 2HB CYS 38 -0.551 16.375 1.068
277 HB3 CYS 38 1HB CYS 38 -0.722 17.451 -0.306
278 H ARG 39 H ARG 39 -2.174 20.007 2.743
279 HA ARG 39 HA ARG 39 -2.891 21.752 0.500
280 HB2 ARG 39 2HB ARG 39 -3.301 22.129 3.462
281 HB3 ARG 39 1HB ARG 39 -3.742 23.287 2.210
282 HG2 ARG 39 2HG ARG 39 -5.331 21.721 1.271
283 HG3 ARG 39 1HG ARG 39 -4.851 20.501 2.448
284 HD2 ARG 39 2HD ARG 39 -6.064 23.172 3.127
285 HD3 ARG 39 1HD ARG 39 -6.959 21.655 3.041
286 HE ARG 39 HE ARG 39 -4.748 21.412 4.788
287 HH11 ARG 39 1HH1 ARG 39 -7.949 22.926 4.669
288 HH12 ARG 39 2HH1 ARG 39 -8.197 22.796 6.353
289 HH21 ARG 39 1HH2 ARG 39 -5.127 21.227 7.057
290 HH22 ARG 39 2HH2 ARG 39 -6.580 21.838 7.729
Start of MODEL 16
1 H1 HIS 1 H HIS 1 11.950 2.084 17.161
2 HA HIS 1 HA HIS 1 11.070 2.651 19.685
3 HB2 HIS 1 2HB HIS 1 14.057 2.145 19.483
4 HB3 HIS 1 1HB HIS 1 13.277 2.986 20.811
5 HD1 HIS 1 1HD HIS 1 12.112 1.510 22.615
6 HD2 HIS 1 2HD HIS 1 13.685 -0.618 19.409
7 HE1 HIS 1 1HE HIS 1 12.021 -0.907 23.276
8 H GLY 2 H GLY 2 12.152 4.825 20.320
9 HA2 GLY 2 2HA GLY 2 13.463 6.660 19.430
10 HA3 GLY 2 1HA GLY 2 12.771 6.285 17.851
11 H GLU 3 H GLU 3 12.253 8.624 18.114
12 HA GLU 3 HA GLU 3 10.063 9.193 19.877
13 HB2 GLU 3 2HB GLU 3 11.326 10.901 17.711
14 HB3 GLU 3 1HB GLU 3 10.048 11.444 18.780
15 HG2 GLU 3 2HG GLU 3 12.031 12.343 19.664
16 HG3 GLU 3 1HG GLU 3 11.633 10.987 20.703
17 H GLY 4 H GLY 4 10.542 9.133 16.371
18 HA2 GLY 4 2HA GLY 4 7.686 8.977 15.951
19 HA3 GLY 4 1HA GLY 4 8.923 9.035 14.697
20 H THR 5 H THR 5 7.120 7.022 16.841
21 HA THR 5 HA THR 5 8.556 4.671 15.996
22 HB THR 5 HB THR 5 6.748 3.712 17.676
23 HG1 THR 5 1HG THR 5 7.067 5.956 19.130
24 HG21 THR 5 3HG2 THR 5 8.394 4.053 19.477
25 HG22 THR 5 1HG2 THR 5 9.196 5.287 18.507
26 HG23 THR 5 2HG2 THR 5 9.188 3.609 17.968
27 H PHE 6 H PHE 6 7.928 3.881 14.105
28 HA PHE 6 HA PHE 6 5.111 3.772 13.460
29 HB2 PHE 6 2HB PHE 6 6.800 4.279 11.656
30 HB3 PHE 6 1HB PHE 6 7.495 2.681 11.911
31 HD1 PHE 6 2HD PHE 6 6.293 0.670 11.208
32 HD2 PHE 6 1HD PHE 6 4.692 4.551 10.547
33 HE1 PHE 6 2HE PHE 6 4.654 -0.274 9.670
34 HE2 PHE 6 1HE PHE 6 3.042 3.613 9.002
35 HZ PHE 6 HZ PHE 6 3.013 1.196 8.557
36 H THR 7 H THR 7 3.959 1.956 13.872
37 HA THR 7 HA THR 7 5.490 -0.184 15.097
38 HB THR 7 HB THR 7 3.871 0.801 16.587
39 HG1 THR 7 1HG THR 7 3.770 -1.111 17.265
40 HG21 THR 7 3HG2 THR 7 2.254 1.653 14.983
41 HG22 THR 7 1HG2 THR 7 1.447 0.632 16.171
42 HG23 THR 7 2HG2 THR 7 1.782 0.012 14.551
43 H SER 8 H SER 8 5.317 -2.241 14.517
44 HA SER 8 HA SER 8 4.766 -2.751 11.792
45 HB2 SER 8 2HB SER 8 5.460 -4.706 13.981
46 HB3 SER 8 1HB SER 8 5.718 -4.901 12.247
47 HG SER 8 HG SER 8 7.135 -3.146 12.314
48 H ASP 9 H ASP 9 2.588 -2.528 11.448
49 HA ASP 9 HA ASP 9 0.558 -3.245 10.958
50 HB2 ASP 9 2HB ASP 9 1.647 -5.833 11.950
51 HB3 ASP 9 1HB ASP 9 -0.037 -5.703 11.435
52 H LEU 10 H LEU 10 1.413 -2.781 14.015
53 HA LEU 10 HA LEU 10 -0.952 -3.629 15.367
54 HB2 LEU 10 2HB LEU 10 1.274 -3.074 16.410
55 HB3 LEU 10 1HB LEU 10 0.937 -1.401 16.115
56 HG LEU 10 HG LEU 10 -0.784 -3.107 17.949
57 HD11 LEU 10 1HD1 LEU 10 1.501 -3.083 18.785
58 HD12 LEU 10 2HD1 LEU 10 0.453 -2.097 19.803
59 HD13 LEU 10 3HD1 LEU 10 1.543 -1.325 18.651
60 HD21 LEU 10 3HD2 LEU 10 -0.439 -0.107 17.744
61 HD22 LEU 10 1HD2 LEU 10 -1.482 -0.954 18.887
62 HD23 LEU 10 2HD2 LEU 10 -1.833 -1.015 17.160
63 H SER 11 H SER 11 0.089 -0.606 13.898
64 HA SER 11 HA SER 11 -2.516 0.590 14.314
65 HB2 SER 11 2HB SER 11 -0.456 1.960 14.524
66 HB3 SER 11 1HB SER 11 -0.072 1.623 12.840
67 HG SER 11 HG SER 11 -2.514 2.560 12.832
68 H LYS 12 H LYS 12 -0.935 -1.385 12.174
69 HA LYS 12 HA LYS 12 -1.044 -1.962 10.077
70 HB2 LYS 12 2HB LYS 12 -3.287 -2.896 9.393
71 HB3 LYS 12 1HB LYS 12 -2.549 -3.512 10.859
72 HG2 LYS 12 2HG LYS 12 -4.037 -1.981 12.141
73 HG3 LYS 12 1HG LYS 12 -4.859 -1.611 10.617
74 HD2 LYS 12 2HD LYS 12 -5.312 -3.919 10.271
75 HD3 LYS 12 1HD LYS 12 -4.441 -4.333 11.751
76 HE2 LYS 12 2HE LYS 12 -6.833 -4.375 12.214
77 HE3 LYS 12 1HE LYS 12 -6.091 -3.020 13.052
78 HZ1 LYS 12 3HZ LYS 12 -8.202 -2.495 11.959
79 HZ2 LYS 12 1HZ LYS 12 -7.523 -2.816 10.467
80 HZ3 LYS 12 2HZ LYS 12 -6.951 -1.518 11.381
81 H GLN 13 H GLN 13 -0.431 0.091 9.705
82 HA GLN 13 HA GLN 13 -2.140 1.635 7.951
83 HB2 GLN 13 2HB GLN 13 0.701 2.023 8.862
84 HB3 GLN 13 1HB GLN 13 -0.013 3.005 7.597
85 HG2 GLN 13 2HG GLN 13 -1.737 3.750 9.183
86 HG3 GLN 13 1HG GLN 13 -0.956 2.797 10.447
87 HE21 GLN 13 1HE2 GLN 13 0.957 3.529 11.334
88 HE22 GLN 13 2HE2 GLN 13 1.568 5.104 11.054
89 H MET 14 H MET 14 -2.145 1.542 5.867
90 HA MET 14 HA MET 14 0.017 0.223 4.429
91 HB2 MET 14 2HB MET 14 -2.949 -0.143 3.925
92 HB3 MET 14 1HB MET 14 -1.682 -0.670 2.838
93 HG2 MET 14 2HG MET 14 -0.887 -2.234 4.528
94 HG3 MET 14 1HG MET 14 -2.160 -1.690 5.625
95 HE1 MET 14 3HE MET 14 -2.961 -4.213 5.904
96 HE2 MET 14 1HE MET 14 -1.703 -4.746 4.788
97 HE3 MET 14 2HE MET 14 -3.374 -5.263 4.547
98 H GLU 15 H GLU 15 0.831 2.046 3.627
99 HA GLU 15 HA GLU 15 -0.952 4.083 2.630
100 HB2 GLU 15 2HB GLU 15 2.064 3.957 2.831
101 HB3 GLU 15 1HB GLU 15 1.190 5.331 2.165
102 HG2 GLU 15 2HG GLU 15 0.154 5.769 4.294
103 HG3 GLU 15 1HG GLU 15 0.832 4.298 4.978
104 H GLU 16 H GLU 16 -1.923 3.015 0.919
105 HA GLU 16 HA GLU 16 -0.305 2.047 -1.299
106 HB2 GLU 16 2HB GLU 16 -2.405 1.542 -2.430
107 HB3 GLU 16 1HB GLU 16 -2.552 1.026 -0.762
108 HG2 GLU 16 2HG GLU 16 -3.854 2.999 -0.234
109 HG3 GLU 16 1HG GLU 16 -3.646 3.599 -1.873
110 H GLU 17 H GLU 17 -1.829 4.885 -0.216
111 HA GLU 17 HA GLU 17 -0.911 6.349 -2.490
112 HB2 GLU 17 2HB GLU 17 -2.871 7.873 -1.964
113 HB3 GLU 17 1HB GLU 17 -3.230 6.305 -2.663
114 HG2 GLU 17 2HG GLU 17 -4.899 6.859 -1.033
115 HG3 GLU 17 1HG GLU 17 -3.956 5.486 -0.485
116 H ALA 18 H ALA 18 -1.532 8.729 -1.065
117 HA ALA 18 HA ALA 18 -0.500 10.281 0.210
118 HB1 ALA 18 1HB ALA 18 -1.454 8.971 2.073
119 HB2 ALA 18 2HB ALA 18 0.065 9.758 2.513
120 HB3 ALA 18 3HB ALA 18 0.040 8.034 2.154
121 H VAL 19 H VAL 19 1.268 8.033 -1.330
122 HA VAL 19 HA VAL 19 3.754 9.429 -0.641
123 HB VAL 19 HB VAL 19 3.429 6.983 -2.429
124 HG11 VAL 19 1HG1 VAL 19 5.400 8.268 -2.878
125 HG12 VAL 19 2HG1 VAL 19 5.803 6.710 -2.147
126 HG13 VAL 19 3HG1 VAL 19 5.864 8.188 -1.176
127 HG21 VAL 19 3HG2 VAL 19 4.288 5.655 -0.550
128 HG22 VAL 19 1HG2 VAL 19 2.740 6.407 -0.163
129 HG23 VAL 19 2HG2 VAL 19 4.235 7.090 0.473
130 H ARG 20 H ARG 20 1.700 8.343 -3.242
131 HA ARG 20 HA ARG 20 2.554 9.942 -5.365
132 HB2 ARG 20 2HB ARG 20 -0.061 8.697 -4.605
133 HB3 ARG 20 1HB ARG 20 0.013 9.701 -6.023
134 HG2 ARG 20 2HG ARG 20 1.758 7.259 -5.631
135 HG3 ARG 20 1HG ARG 20 0.149 7.237 -6.368
136 HD2 ARG 20 2HD ARG 20 1.908 7.275 -8.051
137 HD3 ARG 20 1HD ARG 20 0.882 8.698 -8.123
138 HE ARG 20 HE ARG 20 3.527 8.722 -6.838
139 HH11 ARG 20 1HH1 ARG 20 1.271 10.014 -9.225
140 HH12 ARG 20 2HH1 ARG 20 2.131 11.455 -9.464
141 HH21 ARG 20 1HH2 ARG 20 4.783 10.674 -7.261
142 HH22 ARG 20 2HH2 ARG 20 4.148 11.846 -8.323
143 H CYS 21 H CYS 21 1.063 10.813 -2.470
144 HA CYS 21 HA CYS 21 0.216 13.412 -3.546
145 HB2 CYS 21 2HB CYS 21 -1.553 12.346 -2.311
146 HB3 CYS 21 1HB CYS 21 -0.469 11.978 -0.983
147 H PHE 22 H PHE 22 2.531 11.816 -1.556
148 HA PHE 22 HA PHE 22 3.060 13.863 0.298
149 HB2 PHE 22 2HB PHE 22 3.469 11.417 0.566
150 HB3 PHE 22 1HB PHE 22 4.833 11.568 -0.520
151 HD1 PHE 22 2HD PHE 22 3.487 12.279 2.743
152 HD2 PHE 22 1HD PHE 22 6.884 12.656 0.231
153 HE1 PHE 22 2HE PHE 22 4.854 12.819 4.704
154 HE2 PHE 22 1HE PHE 22 8.277 13.195 2.168
155 HZ PHE 22 HZ PHE 22 7.274 13.284 4.424
156 H ILE 23 H ILE 23 5.170 12.600 -2.280
157 HA ILE 23 HA ILE 23 7.045 14.687 -2.017
158 HB ILE 23 HB ILE 23 6.629 12.804 -4.380
159 HG12 ILE 23 2HG1 ILE 23 8.784 11.762 -3.419
160 HG13 ILE 23 1HG1 ILE 23 8.383 12.677 -1.965
161 HG21 ILE 23 1HG2 ILE 23 8.917 13.360 -5.042
162 HG22 ILE 23 2HG2 ILE 23 8.998 14.531 -3.723
163 HG23 ILE 23 3HG2 ILE 23 7.866 14.782 -5.055
164 HD11 ILE 23 3HD1 ILE 23 6.643 10.568 -3.219
165 HD12 ILE 23 1HD1 ILE 23 6.345 11.430 -1.712
166 HD13 ILE 23 2HD1 ILE 23 7.710 10.322 -1.833
167 H GLU 24 H GLU 24 4.276 14.283 -3.886
168 HA GLU 24 HA GLU 24 4.611 16.407 -5.751
169 HB2 GLU 24 2HB GLU 24 1.957 15.371 -4.778
170 HB3 GLU 24 1HB GLU 24 2.360 16.061 -6.347
171 HG2 GLU 24 2HG GLU 24 3.340 13.459 -5.267
172 HG3 GLU 24 1HG GLU 24 2.050 13.650 -6.438
173 H CYS 25 H CYS 25 2.860 16.177 -2.662
174 HA CYS 25 HA CYS 25 2.071 18.878 -2.637
175 HB2 CYS 25 2HB CYS 25 0.947 17.257 -1.225
176 HB3 CYS 25 1HB CYS 25 2.384 16.945 -0.281
177 H LEU 26 H LEU 26 4.972 17.244 -1.581
178 HA LEU 26 HA LEU 26 6.188 19.504 -0.387
179 HB2 LEU 26 2HB LEU 26 7.193 16.857 -1.327
180 HB3 LEU 26 1HB LEU 26 8.364 18.121 -1.042
181 HG LEU 26 HG LEU 26 8.204 16.624 0.872
182 HD11 LEU 26 1HD1 LEU 26 8.778 18.931 1.264
183 HD12 LEU 26 2HD1 LEU 26 7.889 18.244 2.620
184 HD13 LEU 26 3HD1 LEU 26 7.076 19.335 1.500
185 HD21 LEU 26 3HD2 LEU 26 6.203 16.535 2.280
186 HD22 LEU 26 1HD2 LEU 26 5.880 15.899 0.668
187 HD23 LEU 26 2HD2 LEU 26 5.331 17.518 1.102
188 H LYS 27 H LYS 27 5.678 18.695 -3.666
189 HA LYS 27 HA LYS 27 7.744 20.402 -4.750
190 HB2 LYS 27 2HB LYS 27 5.237 19.261 -5.987
191 HB3 LYS 27 1HB LYS 27 6.365 20.273 -6.861
192 HG2 LYS 27 2HG LYS 27 8.102 18.570 -6.552
193 HG3 LYS 27 1HG LYS 27 6.935 17.559 -5.689
194 HD2 LYS 27 2HD LYS 27 5.530 17.398 -7.621
195 HD3 LYS 27 1HD LYS 27 6.492 18.589 -8.485
196 HE2 LYS 27 2HE LYS 27 6.953 16.353 -9.279
197 HE3 LYS 27 1HE LYS 27 8.380 17.041 -8.513
198 HZ1 LYS 27 3HZ LYS 27 7.961 15.743 -6.579
199 HZ2 LYS 27 1HZ LYS 27 7.993 14.739 -7.924
200 HZ3 LYS 27 2HZ LYS 27 6.509 15.109 -7.233
201 H GLY 28 H GLY 28 4.463 20.679 -3.758
202 HA2 GLY 28 2HA GLY 28 3.665 22.871 -3.018
203 HA3 GLY 28 1HA GLY 28 4.516 23.570 -4.386
204 H ILE 29 H ILE 29 2.468 20.644 -4.431
205 HA ILE 29 HA ILE 29 0.650 22.186 -5.937
206 HB ILE 29 HB ILE 29 0.221 20.393 -7.511
207 HG12 ILE 29 2HG1 ILE 29 2.004 18.426 -7.608
208 HG13 ILE 29 1HG1 ILE 29 2.121 18.737 -5.881
209 HG21 ILE 29 1HG2 ILE 29 1.884 21.892 -8.239
210 HG22 ILE 29 2HG2 ILE 29 2.330 20.275 -8.787
211 HG23 ILE 29 3HG2 ILE 29 3.147 20.994 -7.400
212 HD11 ILE 29 3HD1 ILE 29 0.545 16.943 -6.270
213 HD12 ILE 29 1HD1 ILE 29 -0.357 17.961 -7.402
214 HD13 ILE 29 2HD1 ILE 29 -0.307 18.380 -5.697
215 H GLY 30 H GLY 30 -0.868 22.276 -4.929
216 HA2 GLY 30 2HA GLY 30 -1.629 20.459 -2.795
217 HA3 GLY 30 1HA GLY 30 -2.462 21.960 -3.189
218 H HIS 31 H HIS 31 -3.292 19.163 -2.681
219 HA HIS 31 HA HIS 31 -4.998 17.812 -3.238
220 HB2 HIS 31 2HB HIS 31 -6.319 19.872 -3.452
221 HB3 HIS 31 1HB HIS 31 -5.781 20.075 -5.103
222 HD1 HIS 31 1HD HIS 31 -7.718 19.590 -6.643
223 HD2 HIS 31 2HD HIS 31 -7.682 17.101 -3.308
224 HE1 HIS 31 1HE HIS 31 -9.724 18.111 -6.868
225 H LYS 32 H LYS 32 -5.042 18.846 -6.475
226 HA LYS 32 HA LYS 32 -4.927 17.781 -8.410
227 HB2 LYS 32 2HB LYS 32 -2.611 18.320 -7.950
228 HB3 LYS 32 1HB LYS 32 -2.387 16.734 -7.231
229 HG2 LYS 32 2HG LYS 32 -1.526 16.809 -9.396
230 HG3 LYS 32 1HG LYS 32 -2.928 15.708 -9.357
231 HD2 LYS 32 2HD LYS 32 -4.301 17.552 -10.314
232 HD3 LYS 32 1HD LYS 32 -2.854 18.548 -10.427
233 HE2 LYS 32 2HE LYS 32 -3.353 17.564 -12.586
234 HE3 LYS 32 1HE LYS 32 -1.858 16.890 -11.940
235 HZ1 LYS 32 3HZ LYS 32 -3.062 14.896 -11.296
236 HZ2 LYS 32 1HZ LYS 32 -3.309 15.191 -12.920
237 HZ3 LYS 32 2HZ LYS 32 -4.516 15.535 -11.824
238 H TYR 33 H TYR 33 -3.902 15.324 -6.112
239 HA TYR 33 HA TYR 33 -5.001 13.189 -7.776
240 HB2 TYR 33 2HB TYR 33 -3.406 13.107 -5.203
241 HB3 TYR 33 1HB TYR 33 -3.867 11.703 -6.153
242 HD1 TYR 33 1HD TYR 33 -1.902 14.862 -6.322
243 HD2 TYR 33 2HD TYR 33 -2.481 10.959 -7.893
244 HE1 TYR 33 1HE TYR 33 0.086 15.143 -7.646
245 HE2 TYR 33 2HE TYR 33 -0.459 11.181 -9.218
246 HH TYR 33 HH TYR 33 1.863 13.636 -8.782
247 HA PRO 34 HA PRO 34 -8.925 12.734 -5.857
248 HB2 PRO 34 2HB PRO 34 -8.726 9.938 -5.403
249 HB3 PRO 34 1HB PRO 34 -9.459 10.727 -6.795
250 HG2 PRO 34 2HG PRO 34 -6.742 9.569 -6.492
251 HG3 PRO 34 1HG PRO 34 -7.768 9.682 -7.932
252 HD2 PRO 34 2HD PRO 34 -5.642 11.241 -7.628
253 HD3 PRO 34 1HD PRO 34 -7.136 11.874 -8.358
254 H PHE 35 H PHE 35 -6.365 10.893 -4.373
255 HA PHE 35 HA PHE 35 -7.624 10.897 -1.755
256 HB2 PHE 35 2HB PHE 35 -5.561 9.479 -1.230
257 HB3 PHE 35 1HB PHE 35 -6.750 8.815 -2.350
258 HD1 PHE 35 1HD PHE 35 -3.438 10.476 -2.165
259 HD2 PHE 35 2HD PHE 35 -6.204 8.322 -4.566
260 HE1 PHE 35 1HE PHE 35 -1.728 10.215 -3.903
261 HE2 PHE 35 2HE PHE 35 -4.537 8.056 -6.282
262 HZ PHE 35 HZ PHE 35 -2.272 8.991 -5.982
263 H CYS 36 H CYS 36 -5.815 13.114 -3.335
264 HA CYS 36 HA CYS 36 -4.062 13.576 -1.057
265 HB2 CYS 36 2HB CYS 36 -2.988 13.362 -3.277
266 HB3 CYS 36 1HB CYS 36 -3.882 14.782 -3.814
267 H HIS 37 H HIS 37 -4.591 15.023 0.292
268 HA HIS 37 HA HIS 37 -6.219 17.287 -0.580
269 HB2 HIS 37 2HB HIS 37 -7.070 17.295 1.857
270 HB3 HIS 37 1HB HIS 37 -7.688 16.040 0.794
271 HD1 HIS 37 1HD HIS 37 -5.912 16.511 4.015
272 HD2 HIS 37 2HD HIS 37 -6.582 13.460 1.274
273 HE1 HIS 37 1HE HIS 37 -5.324 14.365 5.204
274 H CYS 38 H CYS 38 -3.261 16.498 0.085
275 HA CYS 38 HA CYS 38 -2.461 18.443 2.039
276 HB2 CYS 38 2HB CYS 38 -1.220 16.301 1.577
277 HB3 CYS 38 1HB CYS 38 -0.755 16.973 0.020
278 H ARG 39 H ARG 39 -1.384 20.372 1.631
279 HA ARG 39 HA ARG 39 -1.082 21.409 -1.020
280 HB2 ARG 39 2HB ARG 39 -2.615 23.348 -0.579
281 HB3 ARG 39 1HB ARG 39 -3.438 21.811 -0.820
282 HG2 ARG 39 2HG ARG 39 -3.729 21.555 1.559
283 HG3 ARG 39 1HG ARG 39 -2.839 23.045 1.854
284 HD2 ARG 39 2HD ARG 39 -4.537 24.307 0.689
285 HD3 ARG 39 1HD ARG 39 -5.407 22.819 0.307
286 HE ARG 39 HE ARG 39 -5.122 22.795 3.004
287 HH11 ARG 39 1HH1 ARG 39 -6.573 25.039 0.670
288 HH12 ARG 39 2HH1 ARG 39 -7.765 25.605 1.744
289 HH21 ARG 39 1HH2 ARG 39 -6.805 23.546 4.473
290 HH22 ARG 39 2HH2 ARG 39 -7.909 24.718 3.929
Start of MODEL 17
1 H1 HIS 1 H HIS 1 4.234 -18.887 -6.574
2 HA HIS 1 HA HIS 1 5.090 -20.152 -4.199
3 HB2 HIS 1 2HB HIS 1 5.227 -22.078 -5.836
4 HB3 HIS 1 1HB HIS 1 6.380 -21.135 -6.763
5 HD1 HIS 1 1HD HIS 1 6.081 -23.239 -3.681
6 HD2 HIS 1 2HD HIS 1 8.960 -20.980 -5.662
7 HE1 HIS 1 1HE HIS 1 8.284 -23.851 -2.632
8 H GLY 2 H GLY 2 6.626 -18.848 -3.358
9 HA2 GLY 2 2HA GLY 2 8.817 -17.741 -3.929
10 HA3 GLY 2 1HA GLY 2 7.906 -16.937 -5.205
11 H GLU 3 H GLU 3 8.542 -14.929 -4.212
12 HA GLU 3 HA GLU 3 7.491 -14.354 -1.585
13 HB2 GLU 3 2HB GLU 3 8.883 -12.540 -3.558
14 HB3 GLU 3 1HB GLU 3 8.488 -12.129 -1.901
15 HG2 GLU 3 2HG GLU 3 9.966 -14.020 -1.177
16 HG3 GLU 3 1HG GLU 3 10.454 -14.178 -2.860
17 H GLY 4 H GLY 4 6.316 -12.213 -1.385
18 HA2 GLY 4 2HA GLY 4 4.413 -11.820 -3.578
19 HA3 GLY 4 1HA GLY 4 3.839 -12.156 -1.950
20 H THR 5 H THR 5 2.906 -9.931 -2.775
21 HA THR 5 HA THR 5 4.715 -7.787 -2.046
22 HB THR 5 HB THR 5 1.836 -7.683 -3.018
23 HG1 THR 5 1HG THR 5 4.291 -7.440 -4.418
24 HG21 THR 5 3HG2 THR 5 2.641 -5.619 -1.899
25 HG22 THR 5 1HG2 THR 5 2.389 -5.360 -3.626
26 HG23 THR 5 2HG2 THR 5 4.020 -5.576 -2.997
27 H PHE 6 H PHE 6 4.813 -7.427 0.069
28 HA PHE 6 HA PHE 6 2.501 -8.134 1.720
29 HB2 PHE 6 2HB PHE 6 4.621 -9.360 2.147
30 HB3 PHE 6 1HB PHE 6 5.403 -7.834 2.527
31 HD1 PHE 6 2HD PHE 6 2.532 -9.970 3.562
32 HD2 PHE 6 1HD PHE 6 5.483 -7.141 4.732
33 HE1 PHE 6 2HE PHE 6 1.870 -10.261 5.909
34 HE2 PHE 6 1HE PHE 6 4.831 -7.430 7.090
35 HZ PHE 6 HZ PHE 6 3.023 -8.988 7.679
36 H THR 7 H THR 7 1.511 -6.597 2.841
37 HA THR 7 HA THR 7 2.781 -4.001 3.029
38 HB THR 7 HB THR 7 -0.106 -4.425 2.241
39 HG1 THR 7 1HG THR 7 2.274 -3.941 0.865
40 HG21 THR 7 3HG2 THR 7 -0.129 -1.985 1.965
41 HG22 THR 7 1HG2 THR 7 1.563 -1.912 2.475
42 HG23 THR 7 2HG2 THR 7 0.330 -2.424 3.616
43 H SER 8 H SER 8 2.962 -3.577 5.049
44 HA SER 8 HA SER 8 0.819 -3.735 6.873
45 HB2 SER 8 2HB SER 8 1.591 -6.128 6.799
46 HB3 SER 8 1HB SER 8 3.201 -5.591 7.259
47 HG SER 8 HG SER 8 0.809 -5.370 8.774
48 H ASP 9 H ASP 9 2.455 -3.644 9.111
49 HA ASP 9 HA ASP 9 3.499 -1.007 8.962
50 HB2 ASP 9 2HB ASP 9 3.661 -3.037 11.190
51 HB3 ASP 9 1HB ASP 9 4.188 -1.365 11.328
52 H LEU 10 H LEU 10 4.811 -3.668 7.756
53 HA LEU 10 HA LEU 10 7.514 -3.696 8.520
54 HB2 LEU 10 2HB LEU 10 6.330 -5.379 7.026
55 HB3 LEU 10 1HB LEU 10 6.308 -4.210 5.754
56 HG LEU 10 HG LEU 10 8.888 -5.343 6.901
57 HD11 LEU 10 1HD1 LEU 10 7.361 -6.203 4.456
58 HD12 LEU 10 2HD1 LEU 10 7.528 -7.129 5.950
59 HD13 LEU 10 3HD1 LEU 10 8.944 -6.796 4.953
60 HD21 LEU 10 3HD2 LEU 10 9.884 -4.575 4.808
61 HD22 LEU 10 1HD2 LEU 10 9.158 -3.222 5.677
62 HD23 LEU 10 2HD2 LEU 10 8.328 -3.927 4.289
63 H SER 11 H SER 11 5.819 -1.895 5.949
64 HA SER 11 HA SER 11 7.965 0.086 6.074
65 HB2 SER 11 2HB SER 11 5.879 -0.315 3.920
66 HB3 SER 11 1HB SER 11 7.259 0.782 3.865
67 HG SER 11 HG SER 11 8.548 -1.145 4.222
68 H LYS 12 H LYS 12 4.772 -0.640 6.926
69 HA LYS 12 HA LYS 12 2.925 0.377 7.556
70 HB2 LYS 12 2HB LYS 12 3.086 2.199 9.183
71 HB3 LYS 12 1HB LYS 12 4.228 0.911 9.520
72 HG2 LYS 12 2HG LYS 12 5.972 2.367 8.424
73 HG3 LYS 12 1HG LYS 12 4.770 3.659 8.447
74 HD2 LYS 12 2HD LYS 12 4.578 3.478 10.836
75 HD3 LYS 12 1HD LYS 12 5.713 2.121 10.845
76 HE2 LYS 12 2HE LYS 12 7.421 3.646 9.859
77 HE3 LYS 12 1HE LYS 12 6.284 4.976 10.067
78 HZ1 LYS 12 3HZ LYS 12 6.316 4.514 12.485
79 HZ2 LYS 12 1HZ LYS 12 7.834 4.898 11.875
80 HZ3 LYS 12 2HZ LYS 12 7.458 3.306 12.218
81 H GLN 13 H GLN 13 3.771 0.849 5.153
82 HA GLN 13 HA GLN 13 2.174 3.156 4.292
83 HB2 GLN 13 2HB GLN 13 4.900 2.421 3.177
84 HB3 GLN 13 1HB GLN 13 3.834 3.636 2.507
85 HG2 GLN 13 2HG GLN 13 4.098 4.988 4.508
86 HG3 GLN 13 1HG GLN 13 5.108 3.739 5.227
87 HE21 GLN 13 1HE2 GLN 13 5.308 4.603 1.823
88 HE22 GLN 13 2HE2 GLN 13 6.849 5.357 1.939
89 H MET 14 H MET 14 1.632 2.841 1.958
90 HA MET 14 HA MET 14 1.809 0.063 1.091
91 HB2 MET 14 2HB MET 14 -0.497 0.594 2.026
92 HB3 MET 14 1HB MET 14 -0.663 1.832 0.798
93 HG2 MET 14 2HG MET 14 -0.097 -0.957 -0.096
94 HG3 MET 14 1HG MET 14 -1.705 -0.607 0.515
95 HE1 MET 14 3HE MET 14 -3.487 0.803 -0.733
96 HE2 MET 14 1HE MET 14 -3.101 1.953 -2.013
97 HE3 MET 14 2HE MET 14 -2.448 2.179 -0.385
98 H GLU 15 H GLU 15 1.416 -0.038 -1.352
99 HA GLU 15 HA GLU 15 3.368 1.399 -2.678
100 HB2 GLU 15 2HB GLU 15 2.406 -0.779 -3.341
101 HB3 GLU 15 1HB GLU 15 0.944 0.047 -3.843
102 HG2 GLU 15 2HG GLU 15 2.210 1.212 -5.563
103 HG3 GLU 15 1HG GLU 15 3.681 0.396 -5.030
104 H GLU 16 H GLU 16 -0.072 2.072 -2.397
105 HA GLU 16 HA GLU 16 0.498 4.626 -3.667
106 HB2 GLU 16 2HB GLU 16 -0.921 3.087 -5.108
107 HB3 GLU 16 1HB GLU 16 -2.160 3.156 -3.867
108 HG2 GLU 16 2HG GLU 16 -2.645 5.392 -4.309
109 HG3 GLU 16 1HG GLU 16 -1.110 5.647 -5.138
110 H GLU 17 H GLU 17 -1.742 6.054 -2.986
111 HA GLU 17 HA GLU 17 -2.315 7.524 -1.557
112 HB2 GLU 17 2HB GLU 17 -3.581 6.904 0.408
113 HB3 GLU 17 1HB GLU 17 -3.908 5.805 -0.926
114 HG2 GLU 17 2HG GLU 17 -2.714 4.072 0.066
115 HG3 GLU 17 1HG GLU 17 -1.965 5.137 1.249
116 H ALA 18 H ALA 18 -1.652 8.975 -0.366
117 HA ALA 18 HA ALA 18 -0.325 10.321 0.810
118 HB1 ALA 18 1HB ALA 18 0.165 7.947 2.587
119 HB2 ALA 18 2HB ALA 18 -1.269 8.971 2.638
120 HB3 ALA 18 3HB ALA 18 0.314 9.652 3.019
121 H VAL 19 H VAL 19 1.067 7.932 -0.893
122 HA VAL 19 HA VAL 19 3.694 9.128 -0.482
123 HB VAL 19 HB VAL 19 3.720 6.660 -0.405
124 HG11 VAL 19 1HG1 VAL 19 2.597 6.720 -3.192
125 HG12 VAL 19 2HG1 VAL 19 1.775 6.158 -1.735
126 HG13 VAL 19 3HG1 VAL 19 3.180 5.281 -2.349
127 HG21 VAL 19 3HG2 VAL 19 5.675 7.755 -1.296
128 HG22 VAL 19 1HG2 VAL 19 4.975 7.722 -2.915
129 HG23 VAL 19 2HG2 VAL 19 5.418 6.207 -2.115
130 H ARG 20 H ARG 20 1.207 8.414 -2.766
131 HA ARG 20 HA ARG 20 2.060 9.649 -5.123
132 HB2 ARG 20 2HB ARG 20 -0.604 9.297 -3.846
133 HB3 ARG 20 1HB ARG 20 -0.488 10.036 -5.417
134 HG2 ARG 20 2HG ARG 20 0.377 7.240 -4.687
135 HG3 ARG 20 1HG ARG 20 -1.129 7.689 -5.492
136 HD2 ARG 20 2HD ARG 20 0.270 8.684 -7.327
137 HD3 ARG 20 1HD ARG 20 1.675 7.947 -6.548
138 HE ARG 20 HE ARG 20 -0.459 6.093 -7.058
139 HH11 ARG 20 1HH1 ARG 20 2.360 7.631 -8.557
140 HH12 ARG 20 2HH1 ARG 20 2.578 6.373 -9.681
141 HH21 ARG 20 1HH2 ARG 20 -0.152 4.445 -8.553
142 HH22 ARG 20 2HH2 ARG 20 1.104 4.509 -9.700
143 H CYS 21 H CYS 21 0.845 10.958 -2.157
144 HA CYS 21 HA CYS 21 0.580 13.603 -3.373
145 HB2 CYS 21 2HB CYS 21 -1.445 12.747 -2.284
146 HB3 CYS 21 1HB CYS 21 -0.562 12.486 -0.791
147 H PHE 22 H PHE 22 2.710 11.737 -1.608
148 HA PHE 22 HA PHE 22 3.454 13.526 0.516
149 HB2 PHE 22 2HB PHE 22 3.718 10.994 0.441
150 HB3 PHE 22 1HB PHE 22 5.081 11.260 -0.631
151 HD1 PHE 22 2HD PHE 22 6.741 13.226 0.520
152 HD2 PHE 22 1HD PHE 22 4.279 10.402 2.517
153 HE1 PHE 22 2HE PHE 22 8.180 13.390 2.513
154 HE2 PHE 22 1HE PHE 22 5.708 10.564 4.517
155 HZ PHE 22 HZ PHE 22 7.659 12.056 4.515
156 H ILE 23 H ILE 23 5.270 12.282 -2.242
157 HA ILE 23 HA ILE 23 7.433 14.074 -1.945
158 HB ILE 23 HB ILE 23 6.681 12.396 -4.349
159 HG12 ILE 23 2HG1 ILE 23 6.700 11.003 -2.345
160 HG13 ILE 23 1HG1 ILE 23 8.070 10.624 -3.376
161 HG21 ILE 23 1HG2 ILE 23 9.072 12.379 -4.842
162 HG22 ILE 23 2HG2 ILE 23 9.389 13.319 -3.390
163 HG23 ILE 23 3HG2 ILE 23 8.501 14.049 -4.723
164 HD11 ILE 23 3HD1 ILE 23 8.149 12.305 -0.879
165 HD12 ILE 23 1HD1 ILE 23 9.526 11.925 -1.914
166 HD13 ILE 23 2HD1 ILE 23 8.694 10.637 -1.039
167 H GLU 24 H GLU 24 4.470 14.174 -3.595
168 HA GLU 24 HA GLU 24 5.220 16.199 -5.488
169 HB2 GLU 24 2HB GLU 24 2.417 15.350 -4.811
170 HB3 GLU 24 1HB GLU 24 3.042 15.988 -6.327
171 HG2 GLU 24 2HG GLU 24 3.583 13.302 -5.141
172 HG3 GLU 24 1HG GLU 24 2.562 13.642 -6.528
173 H CYS 25 H CYS 25 3.489 15.944 -2.414
174 HA CYS 25 HA CYS 25 2.563 18.610 -2.286
175 HB2 CYS 25 2HB CYS 25 1.806 16.757 -0.740
176 HB3 CYS 25 1HB CYS 25 3.361 16.864 0.069
177 H LEU 26 H LEU 26 5.589 17.071 -1.499
178 HA LEU 26 HA LEU 26 6.894 19.203 -0.222
179 HB2 LEU 26 2HB LEU 26 8.067 17.039 -1.967
180 HB3 LEU 26 1HB LEU 26 8.986 18.081 -0.902
181 HG LEU 26 HG LEU 26 6.942 16.033 -0.030
182 HD11 LEU 26 1HD1 LEU 26 9.947 16.041 0.185
183 HD12 LEU 26 2HD1 LEU 26 8.994 15.036 -0.901
184 HD13 LEU 26 3HD1 LEU 26 8.865 14.814 0.844
185 HD21 LEU 26 3HD2 LEU 26 7.023 17.940 1.496
186 HD22 LEU 26 1HD2 LEU 26 8.778 17.794 1.599
187 HD23 LEU 26 2HD2 LEU 26 7.747 16.513 2.234
188 H LYS 27 H LYS 27 6.063 18.738 -3.518
189 HA LYS 27 HA LYS 27 7.912 20.776 -4.506
190 HB2 LYS 27 2HB LYS 27 5.683 19.339 -5.971
191 HB3 LYS 27 1HB LYS 27 6.964 20.293 -6.694
192 HG2 LYS 27 2HG LYS 27 7.316 17.681 -5.237
193 HG3 LYS 27 1HG LYS 27 7.324 17.898 -6.985
194 HD2 LYS 27 2HD LYS 27 9.291 19.381 -6.749
195 HD3 LYS 27 1HD LYS 27 9.286 19.065 -5.016
196 HE2 LYS 27 2HE LYS 27 9.646 17.001 -7.192
197 HE3 LYS 27 1HE LYS 27 10.917 17.661 -6.168
198 HZ1 LYS 27 3HZ LYS 27 10.162 15.505 -5.416
199 HZ2 LYS 27 1HZ LYS 27 8.591 16.077 -5.208
200 HZ3 LYS 27 2HZ LYS 27 9.855 16.677 -4.248
201 H GLY 28 H GLY 28 4.465 20.154 -4.177
202 HA2 GLY 28 2HA GLY 28 3.119 21.994 -3.187
203 HA3 GLY 28 1HA GLY 28 3.861 23.067 -4.358
204 H ILE 29 H ILE 29 1.534 20.585 -3.834
205 HA ILE 29 HA ILE 29 0.392 21.324 -6.261
206 HB ILE 29 HB ILE 29 -0.190 18.989 -6.849
207 HG12 ILE 29 2HG1 ILE 29 1.436 17.163 -5.902
208 HG13 ILE 29 1HG1 ILE 29 1.568 18.251 -4.528
209 HG21 ILE 29 1HG2 ILE 29 1.930 18.247 -7.809
210 HG22 ILE 29 2HG2 ILE 29 2.767 19.443 -6.818
211 HG23 ILE 29 3HG2 ILE 29 1.622 19.969 -8.050
212 HD11 ILE 29 3HD1 ILE 29 -0.903 18.104 -4.271
213 HD12 ILE 29 1HD1 ILE 29 -0.084 16.549 -4.084
214 HD13 ILE 29 2HD1 ILE 29 -0.929 16.951 -5.580
215 H GLY 30 H GLY 30 -1.393 21.668 -5.866
216 HA2 GLY 30 2HA GLY 30 -2.744 21.348 -3.352
217 HA3 GLY 30 1HA GLY 30 -3.533 21.912 -4.822
218 H HIS 31 H HIS 31 -5.283 20.699 -5.030
219 HA HIS 31 HA HIS 31 -5.280 17.905 -4.301
220 HB2 HIS 31 2HB HIS 31 -7.285 19.466 -3.944
221 HB3 HIS 31 1HB HIS 31 -7.519 19.416 -5.679
222 HD1 HIS 31 1HD HIS 31 -9.313 17.764 -6.327
223 HD2 HIS 31 2HD HIS 31 -7.271 16.642 -2.884
224 HE1 HIS 31 1HE HIS 31 -10.430 15.677 -5.519
225 H LYS 32 H LYS 32 -3.653 17.318 -5.755
226 HA LYS 32 HA LYS 32 -4.243 17.290 -8.612
227 HB2 LYS 32 2HB LYS 32 -1.926 17.714 -7.755
228 HB3 LYS 32 1HB LYS 32 -1.920 16.083 -7.114
229 HG2 LYS 32 2HG LYS 32 -2.055 15.152 -9.331
230 HG3 LYS 32 1HG LYS 32 -2.155 16.766 -10.038
231 HD2 LYS 32 2HD LYS 32 0.078 17.277 -9.168
232 HD3 LYS 32 1HD LYS 32 0.162 15.674 -8.440
233 HE2 LYS 32 2HE LYS 32 -0.103 16.231 -11.399
234 HE3 LYS 32 1HE LYS 32 1.398 15.828 -10.569
235 HZ1 LYS 32 3HZ LYS 32 0.407 13.666 -9.968
236 HZ2 LYS 32 1HZ LYS 32 0.476 13.881 -11.619
237 HZ3 LYS 32 2HZ LYS 32 -0.985 14.043 -10.838
238 H TYR 33 H TYR 33 -4.549 15.236 -5.898
239 HA TYR 33 HA TYR 33 -5.402 13.020 -7.627
240 HB2 TYR 33 2HB TYR 33 -3.931 12.692 -4.987
241 HB3 TYR 33 1HB TYR 33 -4.430 11.412 -6.073
242 HD1 TYR 33 1HD TYR 33 -1.984 14.101 -5.511
243 HD2 TYR 33 2HD TYR 33 -3.124 10.880 -8.061
244 HE1 TYR 33 1HE TYR 33 0.180 14.208 -6.596
245 HE2 TYR 33 2HE TYR 33 -0.938 10.985 -9.155
246 HH TYR 33 HH TYR 33 1.678 12.651 -7.911
247 HA PRO 34 HA PRO 34 -9.236 13.429 -5.411
248 HB2 PRO 34 2HB PRO 34 -9.810 10.707 -5.107
249 HB3 PRO 34 1HB PRO 34 -10.239 11.700 -6.496
250 HG2 PRO 34 2HG PRO 34 -7.940 9.841 -6.137
251 HG3 PRO 34 1HG PRO 34 -8.910 10.166 -7.580
252 HD2 PRO 34 2HD PRO 34 -6.460 11.158 -7.318
253 HD3 PRO 34 1HD PRO 34 -7.755 12.118 -8.066
254 H PHE 35 H PHE 35 -6.717 11.521 -4.100
255 HA PHE 35 HA PHE 35 -7.921 11.550 -1.415
256 HB2 PHE 35 2HB PHE 35 -6.354 9.595 -0.997
257 HB3 PHE 35 1HB PHE 35 -7.689 9.306 -2.112
258 HD1 PHE 35 1HD PHE 35 -4.085 9.738 -1.824
259 HD2 PHE 35 2HD PHE 35 -7.312 8.950 -4.427
260 HE1 PHE 35 1HE PHE 35 -2.502 9.096 -3.550
261 HE2 PHE 35 2HE PHE 35 -5.789 8.303 -6.181
262 HZ PHE 35 HZ PHE 35 -3.341 8.351 -5.785
263 H CYS 36 H CYS 36 -6.038 13.422 -3.003
264 HA CYS 36 HA CYS 36 -3.822 13.435 -1.113
265 HB2 CYS 36 2HB CYS 36 -3.100 13.504 -3.391
266 HB3 CYS 36 1HB CYS 36 -4.190 14.834 -3.766
267 H HIS 37 H HIS 37 -3.895 14.809 0.499
268 HA HIS 37 HA HIS 37 -5.733 17.081 0.314
269 HB2 HIS 37 2HB HIS 37 -5.097 15.300 2.658
270 HB3 HIS 37 1HB HIS 37 -5.830 16.886 2.866
271 HD1 HIS 37 1HD HIS 37 -8.323 16.863 2.888
272 HD2 HIS 37 2HD HIS 37 -6.732 13.625 0.832
273 HE1 HIS 37 1HE HIS 37 -10.298 15.453 2.185
274 H CYS 38 H CYS 38 -2.974 17.114 -0.482
275 HA CYS 38 HA CYS 38 -1.427 18.519 1.435
276 HB2 CYS 38 2HB CYS 38 -0.431 17.497 -0.613
277 HB3 CYS 38 1HB CYS 38 -1.303 18.655 -1.606
278 H ARG 39 H ARG 39 -0.895 20.928 1.154
279 HA ARG 39 HA ARG 39 -3.428 22.328 0.666
280 HB2 ARG 39 2HB ARG 39 -1.324 23.068 2.698
281 HB3 ARG 39 1HB ARG 39 -2.897 23.823 2.473
282 HG2 ARG 39 2HG ARG 39 -3.977 21.696 3.127
283 HG3 ARG 39 1HG ARG 39 -2.382 21.020 3.442
284 HD2 ARG 39 2HD ARG 39 -2.007 22.855 5.082
285 HD3 ARG 39 1HD ARG 39 -3.680 23.352 4.838
286 HE ARG 39 HE ARG 39 -2.829 20.759 5.908
287 HH11 ARG 39 1HH1 ARG 39 -5.300 23.313 5.680
288 HH12 ARG 39 2HH1 ARG 39 -6.221 22.731 6.972
289 HH21 ARG 39 1HH2 ARG 39 -4.129 19.973 7.732
290 HH22 ARG 39 2HH2 ARG 39 -5.553 20.806 8.152
Start of MODEL 18
1 H1 HIS 1 H HIS 1 -2.935 12.464 10.286
2 HA HIS 1 HA HIS 1 -4.810 12.614 11.542
3 HB2 HIS 1 2HB HIS 1 -4.876 15.079 11.257
4 HB3 HIS 1 1HB HIS 1 -5.675 14.863 9.707
5 HD1 HIS 1 1HD HIS 1 -6.332 14.106 13.391
6 HD2 HIS 1 2HD HIS 1 -8.367 14.799 9.835
7 HE1 HIS 1 1HE HIS 1 -8.766 14.230 14.010
8 H GLY 2 H GLY 2 -6.098 10.966 11.308
9 HA2 GLY 2 2HA GLY 2 -8.146 10.272 10.038
10 HA3 GLY 2 1HA GLY 2 -7.081 10.324 8.632
11 H GLU 3 H GLU 3 -8.408 8.045 9.410
12 HA GLU 3 HA GLU 3 -6.528 6.389 10.848
13 HB2 GLU 3 2HB GLU 3 -9.227 5.766 9.648
14 HB3 GLU 3 1HB GLU 3 -8.256 4.632 10.572
15 HG2 GLU 3 2HG GLU 3 -9.390 7.222 11.607
16 HG3 GLU 3 1HG GLU 3 -10.050 5.616 11.908
17 H GLY 4 H GLY 4 -4.847 5.786 9.688
18 HA2 GLY 4 2HA GLY 4 -4.934 5.399 6.858
19 HA3 GLY 4 1HA GLY 4 -3.568 5.065 7.918
20 H THR 5 H THR 5 -6.547 3.871 6.681
21 HA THR 5 HA THR 5 -6.109 1.240 7.806
22 HB THR 5 HB THR 5 -8.428 2.299 6.179
23 HG1 THR 5 1HG THR 5 -7.577 2.727 8.716
24 HG21 THR 5 3HG2 THR 5 -8.193 -0.044 8.086
25 HG22 THR 5 1HG2 THR 5 -8.274 -0.168 6.328
26 HG23 THR 5 2HG2 THR 5 -9.656 0.449 7.233
27 H PHE 6 H PHE 6 -4.858 -0.037 6.626
28 HA PHE 6 HA PHE 6 -4.642 0.358 3.765
29 HB2 PHE 6 2HB PHE 6 -3.060 -1.409 5.643
30 HB3 PHE 6 1HB PHE 6 -2.731 -1.207 3.927
31 HD1 PHE 6 1HD PHE 6 -1.951 1.011 3.090
32 HD2 PHE 6 2HD PHE 6 -2.297 0.144 7.241
33 HE1 PHE 6 1HE PHE 6 -0.494 2.914 3.603
34 HE2 PHE 6 2HE PHE 6 -0.843 2.045 7.765
35 HZ PHE 6 HZ PHE 6 0.067 3.441 5.948
36 H THR 7 H THR 7 -5.810 -0.823 2.460
37 HA THR 7 HA THR 7 -6.970 -3.325 3.446
38 HB THR 7 HB THR 7 -7.809 -1.615 1.071
39 HG1 THR 7 1HG THR 7 -8.511 -1.640 3.774
40 HG21 THR 7 3HG2 THR 7 -8.527 -3.986 0.952
41 HG22 THR 7 1HG2 THR 7 -9.900 -2.910 1.210
42 HG23 THR 7 2HG2 THR 7 -9.243 -3.837 2.557
43 H SER 8 H SER 8 -6.255 -5.205 2.527
44 HA SER 8 HA SER 8 -3.993 -5.182 0.876
45 HB2 SER 8 2HB SER 8 -4.567 -7.002 2.485
46 HB3 SER 8 1HB SER 8 -5.839 -7.524 1.384
47 HG SER 8 HG SER 8 -4.204 -7.958 -0.196
48 H ASP 9 H ASP 9 -3.737 -5.170 -1.174
49 HA ASP 9 HA ASP 9 -4.012 -5.203 -3.391
50 HB2 ASP 9 2HB ASP 9 -6.191 -7.150 -2.678
51 HB3 ASP 9 1HB ASP 9 -5.655 -6.852 -4.334
52 H LEU 10 H LEU 10 -5.490 -3.317 -1.704
53 HA LEU 10 HA LEU 10 -8.044 -2.766 -2.773
54 HB2 LEU 10 2HB LEU 10 -7.028 -1.917 -0.631
55 HB3 LEU 10 1HB LEU 10 -6.058 -0.828 -1.574
56 HG LEU 10 HG LEU 10 -8.015 0.252 -0.451
57 HD11 LEU 10 1HD1 LEU 10 -8.067 0.407 -3.448
58 HD12 LEU 10 2HD1 LEU 10 -7.023 1.330 -2.375
59 HD13 LEU 10 3HD1 LEU 10 -8.774 1.577 -2.334
60 HD21 LEU 10 3HD2 LEU 10 -9.635 -1.357 -2.411
61 HD22 LEU 10 1HD2 LEU 10 -10.246 -0.075 -1.370
62 HD23 LEU 10 2HD2 LEU 10 -9.614 -1.562 -0.660
63 H SER 11 H SER 11 -4.822 -1.542 -3.512
64 HA SER 11 HA SER 11 -5.926 -0.564 -6.031
65 HB2 SER 11 2HB SER 11 -3.405 0.264 -4.572
66 HB3 SER 11 1HB SER 11 -3.972 0.956 -6.100
67 HG SER 11 HG SER 11 -4.552 1.994 -3.929
68 H LYS 12 H LYS 12 -3.924 -2.837 -4.526
69 HA LYS 12 HA LYS 12 -2.801 -4.655 -5.136
70 HB2 LYS 12 2HB LYS 12 -4.996 -4.934 -6.326
71 HB3 LYS 12 1HB LYS 12 -4.214 -4.342 -7.777
72 HG2 LYS 12 2HG LYS 12 -2.689 -6.262 -7.718
73 HG3 LYS 12 1HG LYS 12 -3.522 -6.860 -6.275
74 HD2 LYS 12 2HD LYS 12 -5.608 -6.900 -7.510
75 HD3 LYS 12 1HD LYS 12 -4.752 -6.332 -8.945
76 HE2 LYS 12 2HE LYS 12 -3.365 -8.387 -8.895
77 HE3 LYS 12 1HE LYS 12 -4.297 -8.942 -7.505
78 HZ1 LYS 12 3HZ LYS 12 -5.075 -9.925 -9.592
79 HZ2 LYS 12 1HZ LYS 12 -5.423 -8.395 -10.200
80 HZ3 LYS 12 2HZ LYS 12 -6.272 -9.000 -8.878
81 H GLN 13 H GLN 13 -1.832 -1.876 -6.093
82 HA GLN 13 HA GLN 13 0.503 -2.913 -7.512
83 HB2 GLN 13 2HB GLN 13 -0.994 -0.390 -8.301
84 HB3 GLN 13 1HB GLN 13 0.562 -0.871 -8.947
85 HG2 GLN 13 2HG GLN 13 -2.025 -2.383 -9.286
86 HG3 GLN 13 1HG GLN 13 -1.281 -1.343 -10.493
87 HE21 GLN 13 1HE2 GLN 13 1.452 -2.279 -9.927
88 HE22 GLN 13 2HE2 GLN 13 1.525 -3.874 -10.564
89 H MET 14 H MET 14 2.395 -1.568 -7.154
90 HA MET 14 HA MET 14 2.192 -0.295 -4.592
91 HB2 MET 14 2HB MET 14 4.621 -0.917 -6.260
92 HB3 MET 14 1HB MET 14 4.705 -0.032 -4.742
93 HG2 MET 14 2HG MET 14 3.657 -1.966 -3.607
94 HG3 MET 14 1HG MET 14 3.711 -2.843 -5.129
95 HE1 MET 14 3HE MET 14 7.551 -3.231 -5.730
96 HE2 MET 14 1HE MET 14 6.504 -1.950 -6.341
97 HE3 MET 14 2HE MET 14 5.935 -3.621 -6.318
98 H GLU 15 H GLU 15 0.827 1.222 -5.390
99 HA GLU 15 HA GLU 15 2.184 3.728 -5.827
100 HB2 GLU 15 2HB GLU 15 1.356 2.810 -8.094
101 HB3 GLU 15 1HB GLU 15 -0.268 2.899 -7.439
102 HG2 GLU 15 2HG GLU 15 -0.047 5.310 -7.201
103 HG3 GLU 15 1HG GLU 15 1.598 5.228 -7.830
104 H GLU 16 H GLU 16 1.680 4.261 -3.747
105 HA GLU 16 HA GLU 16 -0.996 3.602 -2.770
106 HB2 GLU 16 2HB GLU 16 0.845 2.403 -1.698
107 HB3 GLU 16 1HB GLU 16 1.590 3.925 -1.254
108 HG2 GLU 16 2HG GLU 16 -0.262 4.432 0.225
109 HG3 GLU 16 1HG GLU 16 -1.090 2.957 -0.260
110 H GLU 17 H GLU 17 -2.077 5.006 -1.350
111 HA GLU 17 HA GLU 17 -2.031 7.661 -1.915
112 HB2 GLU 17 2HB GLU 17 -3.752 7.673 -0.176
113 HB3 GLU 17 1HB GLU 17 -4.012 6.336 -1.289
114 HG2 GLU 17 2HG GLU 17 -2.845 4.845 0.355
115 HG3 GLU 17 1HG GLU 17 -2.837 6.196 1.478
116 H ALA 18 H ALA 18 -1.722 9.056 -0.428
117 HA ALA 18 HA ALA 18 -0.386 10.468 0.868
118 HB1 ALA 18 1HB ALA 18 0.146 9.741 3.112
119 HB2 ALA 18 2HB ALA 18 -0.133 8.059 2.661
120 HB3 ALA 18 3HB ALA 18 -1.476 9.200 2.675
121 H VAL 19 H VAL 19 0.979 8.044 -0.844
122 HA VAL 19 HA VAL 19 3.680 8.972 -0.172
123 HB VAL 19 HB VAL 19 2.857 6.699 -2.014
124 HG11 VAL 19 1HG1 VAL 19 5.531 7.454 -0.857
125 HG12 VAL 19 2HG1 VAL 19 5.020 7.635 -2.537
126 HG13 VAL 19 3HG1 VAL 19 5.212 6.022 -1.840
127 HG21 VAL 19 3HG2 VAL 19 3.824 6.542 0.842
128 HG22 VAL 19 1HG2 VAL 19 3.590 5.165 -0.238
129 HG23 VAL 19 2HG2 VAL 19 2.208 6.143 0.257
130 H ARG 20 H ARG 20 1.456 8.219 -2.743
131 HA ARG 20 HA ARG 20 2.711 9.761 -4.749
132 HB2 ARG 20 2HB ARG 20 0.056 8.484 -4.438
133 HB3 ARG 20 1HB ARG 20 0.440 9.393 -5.875
134 HG2 ARG 20 2HG ARG 20 1.758 6.887 -4.809
135 HG3 ARG 20 1HG ARG 20 0.838 7.059 -6.301
136 HD2 ARG 20 2HD ARG 20 3.572 8.244 -5.697
137 HD3 ARG 20 1HD ARG 20 3.205 6.944 -6.814
138 HE ARG 20 HE ARG 20 1.940 8.576 -8.129
139 HH11 ARG 20 1HH1 ARG 20 4.569 9.766 -6.020
140 HH12 ARG 20 2HH1 ARG 20 4.736 11.238 -6.862
141 HH21 ARG 20 1HH2 ARG 20 2.297 10.579 -9.320
142 HH22 ARG 20 2HH2 ARG 20 3.436 11.698 -8.758
143 H CYS 21 H CYS 21 0.979 10.670 -2.167
144 HA CYS 21 HA CYS 21 0.283 13.248 -3.403
145 HB2 CYS 21 2HB CYS 21 -1.560 12.361 -2.136
146 HB3 CYS 21 1HB CYS 21 -0.524 12.044 -0.746
147 H PHE 22 H PHE 22 2.383 11.653 -1.199
148 HA PHE 22 HA PHE 22 3.125 13.790 0.470
149 HB2 PHE 22 2HB PHE 22 3.277 11.341 0.928
150 HB3 PHE 22 1HB PHE 22 4.635 11.278 -0.181
151 HD1 PHE 22 2HD PHE 22 3.426 12.486 3.011
152 HD2 PHE 22 1HD PHE 22 6.778 12.056 0.469
153 HE1 PHE 22 2HE PHE 22 4.902 13.021 4.890
154 HE2 PHE 22 1HE PHE 22 8.282 12.588 2.321
155 HZ PHE 22 HZ PHE 22 7.352 13.078 4.550
156 H ILE 23 H ILE 23 4.948 12.100 -2.078
157 HA ILE 23 HA ILE 23 7.155 13.852 -2.017
158 HB ILE 23 HB ILE 23 6.270 12.038 -4.290
159 HG12 ILE 23 2HG1 ILE 23 6.536 10.809 -2.159
160 HG13 ILE 23 1HG1 ILE 23 7.757 10.349 -3.336
161 HG21 ILE 23 1HG2 ILE 23 7.939 13.657 -5.007
162 HG22 ILE 23 2HG2 ILE 23 8.644 12.038 -4.943
163 HG23 ILE 23 3HG2 ILE 23 8.982 13.200 -3.661
164 HD11 ILE 23 3HD1 ILE 23 9.397 11.731 -2.182
165 HD12 ILE 23 1HD1 ILE 23 8.687 10.546 -1.092
166 HD13 ILE 23 2HD1 ILE 23 8.180 12.236 -1.016
167 H GLU 24 H GLU 24 4.191 13.888 -3.778
168 HA GLU 24 HA GLU 24 4.918 15.858 -5.716
169 HB2 GLU 24 2HB GLU 24 2.126 15.225 -4.793
170 HB3 GLU 24 1HB GLU 24 2.659 15.789 -6.368
171 HG2 GLU 24 2HG GLU 24 3.221 13.095 -5.200
172 HG3 GLU 24 1HG GLU 24 1.958 13.453 -6.368
173 H CYS 25 H CYS 25 3.329 15.802 -2.572
174 HA CYS 25 HA CYS 25 2.458 18.473 -2.519
175 HB2 CYS 25 2HB CYS 25 1.686 16.599 -0.995
176 HB3 CYS 25 1HB CYS 25 3.194 16.811 -0.109
177 H LEU 26 H LEU 26 5.452 16.912 -1.698
178 HA LEU 26 HA LEU 26 6.721 19.031 -0.368
179 HB2 LEU 26 2HB LEU 26 7.916 16.838 -2.060
180 HB3 LEU 26 1HB LEU 26 8.830 17.882 -0.991
181 HG LEU 26 HG LEU 26 6.722 15.896 -0.129
182 HD11 LEU 26 1HD1 LEU 26 9.716 15.826 0.160
183 HD12 LEU 26 2HD1 LEU 26 8.763 14.829 -0.936
184 HD13 LEU 26 3HD1 LEU 26 8.583 14.642 0.808
185 HD21 LEU 26 3HD2 LEU 26 6.798 17.805 1.381
186 HD22 LEU 26 1HD2 LEU 26 8.555 17.660 1.499
187 HD23 LEU 26 2HD2 LEU 26 7.518 16.389 2.142
188 H LYS 27 H LYS 27 6.070 18.475 -3.708
189 HA LYS 27 HA LYS 27 7.917 20.457 -4.715
190 HB2 LYS 27 2HB LYS 27 5.455 19.318 -6.061
191 HB3 LYS 27 1HB LYS 27 6.786 20.160 -6.835
192 HG2 LYS 27 2HG LYS 27 8.272 18.318 -6.321
193 HG3 LYS 27 1HG LYS 27 6.966 17.480 -5.480
194 HD2 LYS 27 2HD LYS 27 7.216 16.558 -7.700
195 HD3 LYS 27 1HD LYS 27 5.691 17.429 -7.602
196 HE2 LYS 27 2HE LYS 27 6.652 19.327 -8.742
197 HE3 LYS 27 1HE LYS 27 8.241 18.561 -8.757
198 HZ1 LYS 27 3HZ LYS 27 7.305 16.825 -10.182
199 HZ2 LYS 27 1HZ LYS 27 7.155 18.337 -10.883
200 HZ3 LYS 27 2HZ LYS 27 5.818 17.593 -10.189
201 H GLY 28 H GLY 28 4.427 20.144 -4.426
202 HA2 GLY 28 2HA GLY 28 3.323 22.049 -3.236
203 HA3 GLY 28 1HA GLY 28 4.177 23.085 -4.378
204 H ILE 29 H ILE 29 1.698 20.574 -4.090
205 HA ILE 29 HA ILE 29 0.621 21.626 -6.445
206 HB ILE 29 HB ILE 29 -0.087 19.361 -7.218
207 HG12 ILE 29 2HG1 ILE 29 1.499 17.440 -6.504
208 HG13 ILE 29 1HG1 ILE 29 1.778 18.395 -5.055
209 HG21 ILE 29 1HG2 ILE 29 2.868 19.835 -7.199
210 HG22 ILE 29 2HG2 ILE 29 1.688 20.462 -8.348
211 HG23 ILE 29 3HG2 ILE 29 2.020 18.730 -8.280
212 HD11 ILE 29 3HD1 ILE 29 -0.832 17.257 -6.014
213 HD12 ILE 29 1HD1 ILE 29 -0.638 18.357 -4.653
214 HD13 ILE 29 2HD1 ILE 29 0.105 16.747 -4.595
215 H GLY 30 H GLY 30 -1.043 22.219 -6.046
216 HA2 GLY 30 2HA GLY 30 -2.622 21.869 -3.704
217 HA3 GLY 30 1HA GLY 30 -3.198 22.654 -5.169
218 H HIS 31 H HIS 31 -3.211 19.874 -3.272
219 HA HIS 31 HA HIS 31 -4.225 17.914 -3.257
220 HB2 HIS 31 2HB HIS 31 -6.111 19.501 -4.890
221 HB3 HIS 31 1HB HIS 31 -6.531 17.877 -4.292
222 HD1 HIS 31 1HD HIS 31 -6.604 21.436 -3.392
223 HD2 HIS 31 2HD HIS 31 -6.521 17.810 -1.386
224 HE1 HIS 31 1HE HIS 31 -7.319 21.948 -1.034
225 H LYS 32 H LYS 32 -5.217 18.551 -6.458
226 HA LYS 32 HA LYS 32 -4.920 17.498 -8.483
227 HB2 LYS 32 2HB LYS 32 -2.401 16.418 -7.232
228 HB3 LYS 32 1HB LYS 32 -2.846 16.165 -8.908
229 HG2 LYS 32 2HG LYS 32 -2.212 18.783 -7.569
230 HG3 LYS 32 1HG LYS 32 -1.201 17.917 -8.727
231 HD2 LYS 32 2HD LYS 32 -3.113 18.165 -10.369
232 HD3 LYS 32 1HD LYS 32 -3.846 19.274 -9.207
233 HE2 LYS 32 2HE LYS 32 -2.656 20.615 -10.753
234 HE3 LYS 32 1HE LYS 32 -1.708 20.584 -9.272
235 HZ1 LYS 32 3HZ LYS 32 -1.193 18.953 -11.696
236 HZ2 LYS 32 1HZ LYS 32 -0.270 18.856 -10.298
237 HZ3 LYS 32 2HZ LYS 32 -0.290 20.265 -11.210
238 H TYR 33 H TYR 33 -3.829 15.151 -6.147
239 HA TYR 33 HA TYR 33 -5.176 13.055 -7.596
240 HB2 TYR 33 2HB TYR 33 -3.560 12.941 -5.032
241 HB3 TYR 33 1HB TYR 33 -4.088 11.552 -5.966
242 HD1 TYR 33 1HD TYR 33 -1.972 14.615 -6.194
243 HD2 TYR 33 2HD TYR 33 -2.707 10.697 -7.664
244 HE1 TYR 33 1HE TYR 33 0.024 14.781 -7.517
245 HE2 TYR 33 2HE TYR 33 -0.661 10.819 -9.003
246 HH TYR 33 HH TYR 33 1.709 13.235 -8.613
247 HA PRO 34 HA PRO 34 -9.022 13.219 -5.449
248 HB2 PRO 34 2HB PRO 34 -9.372 10.465 -5.083
249 HB3 PRO 34 1HB PRO 34 -9.841 11.375 -6.517
250 HG2 PRO 34 2HG PRO 34 -7.375 9.771 -6.041
251 HG3 PRO 34 1HG PRO 34 -8.357 9.917 -7.506
252 HD2 PRO 34 2HD PRO 34 -6.051 11.184 -7.296
253 HD3 PRO 34 1HD PRO 34 -7.448 11.995 -8.043
254 H PHE 35 H PHE 35 -6.585 11.090 -4.149
255 HA PHE 35 HA PHE 35 -7.698 11.151 -1.459
256 HB2 PHE 35 2HB PHE 35 -5.824 9.473 -1.055
257 HB3 PHE 35 1HB PHE 35 -7.103 8.985 -2.165
258 HD1 PHE 35 1HD PHE 35 -3.585 9.989 -1.909
259 HD2 PHE 35 2HD PHE 35 -6.689 8.714 -4.485
260 HE1 PHE 35 1HE PHE 35 -1.937 9.586 -3.678
261 HE2 PHE 35 2HE PHE 35 -5.114 8.313 -6.257
262 HZ PHE 35 HZ PHE 35 -2.681 8.737 -5.879
263 H CYS 36 H CYS 36 -5.840 13.230 -3.079
264 HA CYS 36 HA CYS 36 -3.806 13.433 -1.006
265 HB2 CYS 36 2HB CYS 36 -2.981 13.370 -3.276
266 HB3 CYS 36 1HB CYS 36 -3.942 14.791 -3.701
267 H HIS 37 H HIS 37 -4.035 14.774 0.523
268 HA HIS 37 HA HIS 37 -5.965 16.982 0.334
269 HB2 HIS 37 2HB HIS 37 -4.706 15.644 2.753
270 HB3 HIS 37 1HB HIS 37 -5.838 16.980 2.824
271 HD1 HIS 37 1HD HIS 37 -8.120 16.146 3.510
272 HD2 HIS 37 2HD HIS 37 -6.061 13.376 1.180
273 HE1 HIS 37 1HE HIS 37 -9.585 14.105 3.391
274 H CYS 38 H CYS 38 -3.256 17.073 -0.801
275 HA CYS 38 HA CYS 38 -1.576 18.579 0.948
276 HB2 CYS 38 2HB CYS 38 -0.618 17.302 -0.912
277 HB3 CYS 38 1HB CYS 38 -1.453 18.349 -2.060
278 H ARG 39 H ARG 39 -2.122 20.463 1.676
279 HA ARG 39 HA ARG 39 -2.853 22.617 -0.093
280 HB2 ARG 39 2HB ARG 39 -4.929 23.146 1.090
281 HB3 ARG 39 1HB ARG 39 -5.014 21.565 0.325
282 HG2 ARG 39 2HG ARG 39 -4.474 20.538 2.534
283 HG3 ARG 39 1HG ARG 39 -4.593 22.141 3.256
284 HD2 ARG 39 2HD ARG 39 -6.778 20.700 1.768
285 HD3 ARG 39 1HD ARG 39 -6.659 20.845 3.518
286 HE ARG 39 HE ARG 39 -6.771 23.342 3.015
287 HH11 ARG 39 1HH1 ARG 39 -8.506 20.831 1.143
288 HH12 ARG 39 2HH1 ARG 39 -9.756 21.872 0.675
289 HH21 ARG 39 1HH2 ARG 39 -8.632 24.722 2.418
290 HH22 ARG 39 2HH2 ARG 39 -9.853 24.066 1.416
Start of MODEL 19
1 H1 HIS 1 H HIS 1 25.203 -4.639 2.951
2 HA HIS 1 HA HIS 1 23.769 -4.949 1.193
3 HB2 HIS 1 2HB HIS 1 21.628 -5.427 3.296
4 HB3 HIS 1 1HB HIS 1 21.414 -5.634 1.562
5 HD1 HIS 1 1HD HIS 1 22.352 -7.822 0.521
6 HD2 HIS 1 2HD HIS 1 23.116 -7.399 4.576
7 HE1 HIS 1 1HE HIS 1 23.208 -10.068 1.298
8 H GLY 2 H GLY 2 23.833 -2.805 3.548
9 HA2 GLY 2 2HA GLY 2 23.666 -0.468 3.062
10 HA3 GLY 2 1HA GLY 2 22.306 -0.828 2.000
11 H GLU 3 H GLU 3 22.155 1.097 3.952
12 HA GLU 3 HA GLU 3 20.854 -0.128 6.205
13 HB2 GLU 3 2HB GLU 3 21.284 2.779 5.549
14 HB3 GLU 3 1HB GLU 3 20.496 2.191 7.007
15 HG2 GLU 3 2HG GLU 3 23.342 1.696 6.174
16 HG3 GLU 3 1HG GLU 3 22.781 2.706 7.509
17 H GLY 4 H GLY 4 19.916 1.807 3.440
18 HA2 GLY 4 2HA GLY 4 17.144 1.817 4.184
19 HA3 GLY 4 1HA GLY 4 17.824 2.359 2.651
20 H THR 5 H THR 5 16.578 -0.318 4.426
21 HA THR 5 HA THR 5 16.839 -2.003 2.061
22 HB THR 5 HB THR 5 16.091 -2.760 4.895
23 HG1 THR 5 1HG THR 5 18.495 -2.537 3.485
24 HG21 THR 5 3HG2 THR 5 15.248 -4.334 3.177
25 HG22 THR 5 1HG2 THR 5 16.536 -5.062 4.141
26 HG23 THR 5 2HG2 THR 5 16.882 -4.465 2.522
27 H PHE 6 H PHE 6 15.218 -1.756 0.744
28 HA PHE 6 HA PHE 6 12.518 -1.703 1.846
29 HB2 PHE 6 2HB PHE 6 13.540 -0.529 -0.749
30 HB3 PHE 6 1HB PHE 6 11.854 -0.546 -0.243
31 HD1 PHE 6 1HD PHE 6 11.104 0.850 1.613
32 HD2 PHE 6 2HD PHE 6 15.110 1.010 0.185
33 HE1 PHE 6 1HE PHE 6 11.444 2.961 2.809
34 HE2 PHE 6 2HE PHE 6 15.453 3.125 1.376
35 HZ PHE 6 HZ PHE 6 13.618 4.102 2.694
36 H THR 7 H THR 7 11.874 -3.697 1.744
37 HA THR 7 HA THR 7 12.279 -5.054 -0.772
38 HB THR 7 HB THR 7 13.833 -6.006 0.889
39 HG1 THR 7 1HG THR 7 13.477 -8.003 0.387
40 HG21 THR 7 3HG2 THR 7 13.008 -7.229 2.857
41 HG22 THR 7 1HG2 THR 7 11.370 -6.712 2.464
42 HG23 THR 7 2HG2 THR 7 12.580 -5.517 2.935
43 H SER 8 H SER 8 10.620 -6.291 -1.483
44 HA SER 8 HA SER 8 8.048 -5.402 -0.965
45 HB2 SER 8 2HB SER 8 8.909 -7.975 -2.282
46 HB3 SER 8 1HB SER 8 7.418 -7.071 -2.558
47 HG SER 8 HG SER 8 8.589 -6.317 -4.131
48 H ASP 9 H ASP 9 6.340 -6.487 -0.032
49 HA ASP 9 HA ASP 9 5.128 -7.882 1.317
50 HB2 ASP 9 2HB ASP 9 6.298 -9.797 0.228
51 HB3 ASP 9 1HB ASP 9 7.593 -9.647 1.402
52 H LEU 10 H LEU 10 8.229 -6.820 2.306
53 HA LEU 10 HA LEU 10 7.849 -7.057 5.094
54 HB2 LEU 10 2HB LEU 10 9.970 -6.554 3.827
55 HB3 LEU 10 1HB LEU 10 9.390 -4.936 3.582
56 HG LEU 10 HG LEU 10 11.124 -5.093 5.356
57 HD11 LEU 10 1HD1 LEU 10 10.031 -3.825 7.117
58 HD12 LEU 10 2HD1 LEU 10 8.457 -4.262 6.452
59 HD13 LEU 10 3HD1 LEU 10 9.558 -3.260 5.512
60 HD21 LEU 10 3HD2 LEU 10 9.099 -6.756 6.844
61 HD22 LEU 10 1HD2 LEU 10 10.613 -6.141 7.503
62 HD23 LEU 10 2HD2 LEU 10 10.640 -7.314 6.189
63 H SER 11 H SER 11 7.113 -4.451 2.756
64 HA SER 11 HA SER 11 5.760 -2.902 4.725
65 HB2 SER 11 2HB SER 11 5.130 -1.654 2.507
66 HB3 SER 11 1HB SER 11 6.792 -1.609 3.107
67 HG SER 11 HG SER 11 6.995 -2.163 1.045
68 H LYS 12 H LYS 12 5.024 -5.472 2.710
69 HA LYS 12 HA LYS 12 3.255 -6.725 2.135
70 HB2 LYS 12 2HB LYS 12 1.741 -7.289 3.931
71 HB3 LYS 12 1HB LYS 12 3.463 -7.437 4.311
72 HG2 LYS 12 2HG LYS 12 3.282 -5.267 5.539
73 HG3 LYS 12 1HG LYS 12 1.543 -5.292 5.238
74 HD2 LYS 12 2HD LYS 12 2.996 -7.526 6.514
75 HD3 LYS 12 1HD LYS 12 2.364 -6.184 7.492
76 HE2 LYS 12 2HE LYS 12 0.731 -8.000 5.681
77 HE3 LYS 12 1HE LYS 12 0.851 -8.183 7.428
78 HZ1 LYS 12 3HZ LYS 12 -0.306 -5.822 6.017
79 HZ2 LYS 12 1HZ LYS 12 -0.203 -6.020 7.679
80 HZ3 LYS 12 2HZ LYS 12 -1.183 -7.026 6.758
81 H GLN 13 H GLN 13 2.622 -3.771 1.690
82 HA GLN 13 HA GLN 13 -0.209 -4.241 1.267
83 HB2 GLN 13 2HB GLN 13 -0.026 -3.150 3.363
84 HB3 GLN 13 1HB GLN 13 1.039 -1.929 2.686
85 HG2 GLN 13 2HG GLN 13 -0.632 -1.091 1.366
86 HG3 GLN 13 1HG GLN 13 -1.726 -2.417 1.815
87 HE21 GLN 13 1HE2 GLN 13 -3.286 -1.025 2.691
88 HE22 GLN 13 2HE2 GLN 13 -3.068 -0.155 4.161
89 H MET 14 H MET 14 2.721 -2.459 0.376
90 HA MET 14 HA MET 14 3.187 -0.890 -1.083
91 HB2 MET 14 2HB MET 14 1.523 -2.799 -2.585
92 HB3 MET 14 1HB MET 14 2.121 -1.365 -3.447
93 HG2 MET 14 2HG MET 14 3.705 -3.579 -2.134
94 HG3 MET 14 1HG MET 14 3.563 -3.260 -3.859
95 HE1 MET 14 3HE MET 14 6.399 -3.631 -2.384
96 HE2 MET 14 1HE MET 14 7.317 -2.347 -3.166
97 HE3 MET 14 2HE MET 14 6.209 -3.343 -4.112
98 H GLU 15 H GLU 15 2.170 0.601 0.215
99 HA GLU 15 HA GLU 15 -0.458 1.553 -0.527
100 HB2 GLU 15 2HB GLU 15 0.336 1.428 1.838
101 HB3 GLU 15 1HB GLU 15 1.554 2.631 1.452
102 HG2 GLU 15 2HG GLU 15 -0.197 3.777 2.530
103 HG3 GLU 15 1HG GLU 15 -0.333 4.168 0.818
104 H GLU 16 H GLU 16 -0.570 2.900 -2.256
105 HA GLU 16 HA GLU 16 1.687 4.705 -2.693
106 HB2 GLU 16 2HB GLU 16 0.790 5.112 -4.927
107 HB3 GLU 16 1HB GLU 16 1.083 3.397 -4.654
108 HG2 GLU 16 2HG GLU 16 -1.279 3.035 -4.351
109 HG3 GLU 16 1HG GLU 16 -1.585 4.764 -4.514
110 H GLU 17 H GLU 17 -1.605 4.599 -1.738
111 HA GLU 17 HA GLU 17 -2.148 7.258 -2.160
112 HB2 GLU 17 2HB GLU 17 -3.396 5.230 -0.340
113 HB3 GLU 17 1HB GLU 17 -4.010 6.867 -0.508
114 HG2 GLU 17 2HG GLU 17 -4.385 6.439 -2.911
115 HG3 GLU 17 1HG GLU 17 -3.845 4.777 -2.676
116 H ALA 18 H ALA 18 -1.923 8.684 -1.081
117 HA ALA 18 HA ALA 18 -1.158 10.379 0.319
118 HB1 ALA 18 1HB ALA 18 -0.801 9.967 2.702
119 HB2 ALA 18 2HB ALA 18 -0.830 8.227 2.412
120 HB3 ALA 18 3HB ALA 18 -2.284 9.189 2.142
121 H VAL 19 H VAL 19 0.633 8.080 -0.977
122 HA VAL 19 HA VAL 19 3.182 9.234 -0.091
123 HB VAL 19 HB VAL 19 2.650 6.813 -1.868
124 HG11 VAL 19 1HG1 VAL 19 5.018 6.298 -1.552
125 HG12 VAL 19 2HG1 VAL 19 5.210 7.783 -0.613
126 HG13 VAL 19 3HG1 VAL 19 4.785 7.868 -2.324
127 HG21 VAL 19 3HG2 VAL 19 3.483 6.899 1.032
128 HG22 VAL 19 1HG2 VAL 19 3.350 5.445 0.043
129 HG23 VAL 19 2HG2 VAL 19 1.909 6.392 0.418
130 H ARG 20 H ARG 20 1.248 8.357 -2.862
131 HA ARG 20 HA ARG 20 2.515 9.786 -4.904
132 HB2 ARG 20 2HB ARG 20 -0.253 8.781 -4.441
133 HB3 ARG 20 1HB ARG 20 0.074 9.678 -5.897
134 HG2 ARG 20 2HG ARG 20 1.522 7.177 -5.028
135 HG3 ARG 20 1HG ARG 20 0.155 7.218 -6.146
136 HD2 ARG 20 2HD ARG 20 2.737 8.704 -6.614
137 HD3 ARG 20 1HD ARG 20 2.414 7.089 -7.240
138 HE ARG 20 HE ARG 20 0.312 8.374 -8.153
139 HH11 ARG 20 1HH1 ARG 20 3.683 9.509 -8.153
140 HH12 ARG 20 2HH1 ARG 20 3.559 10.314 -9.644
141 HH21 ARG 20 1HH2 ARG 20 0.183 9.471 -10.260
142 HH22 ARG 20 2HH2 ARG 20 1.550 10.255 -10.879
143 H CYS 21 H CYS 21 0.808 10.928 -2.280
144 HA CYS 21 HA CYS 21 0.348 13.537 -3.559
145 HB2 CYS 21 2HB CYS 21 -1.633 12.783 -2.449
146 HB3 CYS 21 1HB CYS 21 -0.733 12.352 -1.004
147 H PHE 22 H PHE 22 2.242 11.830 -1.258
148 HA PHE 22 HA PHE 22 2.896 13.911 0.523
149 HB2 PHE 22 2HB PHE 22 3.020 11.388 0.848
150 HB3 PHE 22 1HB PHE 22 4.507 11.470 -0.090
151 HD1 PHE 22 1HD PHE 22 6.478 12.576 0.821
152 HD2 PHE 22 2HD PHE 22 2.923 12.105 3.085
153 HE1 PHE 22 1HE PHE 22 7.744 13.038 2.853
154 HE2 PHE 22 2HE PHE 22 4.148 12.566 5.146
155 HZ PHE 22 HZ PHE 22 6.580 13.040 5.057
156 H ILE 23 H ILE 23 4.826 12.282 -1.978
157 HA ILE 23 HA ILE 23 7.015 14.066 -1.713
158 HB ILE 23 HB ILE 23 6.379 12.252 -4.070
159 HG12 ILE 23 2HG1 ILE 23 6.394 10.999 -1.938
160 HG13 ILE 23 1HG1 ILE 23 7.748 10.554 -2.965
161 HG21 ILE 23 1HG2 ILE 23 8.807 12.276 -4.464
162 HG22 ILE 23 2HG2 ILE 23 9.004 13.360 -3.085
163 HG23 ILE 23 3HG2 ILE 23 8.141 13.917 -4.520
164 HD11 ILE 23 3HD1 ILE 23 7.892 12.423 -0.603
165 HD12 ILE 23 1HD1 ILE 23 9.242 11.911 -1.607
166 HD13 ILE 23 2HD1 ILE 23 8.390 10.732 -0.608
167 H GLU 24 H GLU 24 4.152 14.088 -3.612
168 HA GLU 24 HA GLU 24 4.959 16.071 -5.505
169 HB2 GLU 24 2HB GLU 24 2.157 15.323 -4.689
170 HB3 GLU 24 1HB GLU 24 2.699 16.055 -6.198
171 HG2 GLU 24 2HG GLU 24 3.467 13.374 -5.237
172 HG3 GLU 24 1HG GLU 24 2.137 13.656 -6.355
173 H CYS 25 H CYS 25 3.369 15.998 -2.429
174 HA CYS 25 HA CYS 25 2.520 18.695 -2.319
175 HB2 CYS 25 2HB CYS 25 1.746 16.850 -0.763
176 HB3 CYS 25 1HB CYS 25 3.297 16.969 0.052
177 H LEU 26 H LEU 26 5.551 17.106 -1.566
178 HA LEU 26 HA LEU 26 6.815 19.466 -0.560
179 HB2 LEU 26 2HB LEU 26 7.862 16.783 -1.402
180 HB3 LEU 26 1HB LEU 26 8.970 18.106 -1.138
181 HG LEU 26 HG LEU 26 8.924 16.689 0.798
182 HD11 LEU 26 1HD1 LEU 26 7.515 19.274 1.379
183 HD12 LEU 26 2HD1 LEU 26 9.251 19.036 1.197
184 HD13 LEU 26 3HD1 LEU 26 8.395 18.283 2.541
185 HD21 LEU 26 3HD2 LEU 26 5.966 17.241 0.967
186 HD22 LEU 26 1HD2 LEU 26 6.923 16.386 2.177
187 HD23 LEU 26 2HD2 LEU 26 6.715 15.696 0.566
188 H LYS 27 H LYS 27 5.892 18.640 -3.617
189 HA LYS 27 HA LYS 27 7.996 20.224 -4.896
190 HB2 LYS 27 2HB LYS 27 5.705 18.645 -6.095
191 HB3 LYS 27 1HB LYS 27 6.917 19.523 -7.019
192 HG2 LYS 27 2HG LYS 27 8.651 18.052 -6.252
193 HG3 LYS 27 1HG LYS 27 7.537 17.255 -5.142
194 HD2 LYS 27 2HD LYS 27 6.205 16.485 -7.076
195 HD3 LYS 27 1HD LYS 27 7.367 17.255 -8.152
196 HE2 LYS 27 2HE LYS 27 9.113 15.796 -7.437
197 HE3 LYS 27 1HE LYS 27 8.105 15.132 -6.152
198 HZ1 LYS 27 3HZ LYS 27 8.227 13.655 -8.069
199 HZ2 LYS 27 1HZ LYS 27 7.561 14.859 -9.056
200 HZ3 LYS 27 2HZ LYS 27 6.652 14.202 -7.796
201 H GLY 28 H GLY 28 4.480 20.038 -4.651
202 HA2 GLY 28 2HA GLY 28 3.522 22.241 -3.841
203 HA3 GLY 28 1HA GLY 28 4.311 22.946 -5.232
204 H ILE 29 H ILE 29 1.848 20.680 -4.232
205 HA ILE 29 HA ILE 29 0.502 21.448 -6.550
206 HB ILE 29 HB ILE 29 -0.408 19.153 -6.878
207 HG12 ILE 29 2HG1 ILE 29 1.158 17.234 -6.193
208 HG13 ILE 29 1HG1 ILE 29 1.758 18.325 -4.949
209 HG21 ILE 29 1HG2 ILE 29 2.506 19.439 -7.386
210 HG22 ILE 29 2HG2 ILE 29 1.175 19.956 -8.428
211 HG23 ILE 29 3HG2 ILE 29 1.467 18.234 -8.147
212 HD11 ILE 29 3HD1 ILE 29 -0.567 18.449 -4.069
213 HD12 ILE 29 1HD1 ILE 29 0.105 16.814 -4.036
214 HD13 ILE 29 2HD1 ILE 29 -1.048 17.295 -5.286
215 H GLY 30 H GLY 30 -1.178 21.908 -6.079
216 HA2 GLY 30 2HA GLY 30 -2.465 21.853 -3.540
217 HA3 GLY 30 1HA GLY 30 -3.309 22.229 -5.042
218 H HIS 31 H HIS 31 -5.079 20.963 -5.032
219 HA HIS 31 HA HIS 31 -4.829 18.212 -4.132
220 HB2 HIS 31 2HB HIS 31 -6.824 19.649 -3.485
221 HB3 HIS 31 1HB HIS 31 -7.326 19.580 -5.170
222 HD1 HIS 31 1HD HIS 31 -9.049 17.808 -5.576
223 HD2 HIS 31 2HD HIS 31 -6.552 16.890 -2.384
224 HE1 HIS 31 1HE HIS 31 -9.941 15.652 -4.567
225 H LYS 32 H LYS 32 -3.481 17.520 -5.728
226 HA LYS 32 HA LYS 32 -4.412 17.556 -8.488
227 HB2 LYS 32 2HB LYS 32 -2.037 18.021 -8.030
228 HB3 LYS 32 1HB LYS 32 -1.855 16.429 -7.315
229 HG2 LYS 32 2HG LYS 32 -0.935 16.486 -9.571
230 HG3 LYS 32 1HG LYS 32 -2.326 15.399 -9.493
231 HD2 LYS 32 2HD LYS 32 -3.747 17.173 -10.390
232 HD3 LYS 32 1HD LYS 32 -2.352 18.239 -10.483
233 HE2 LYS 32 2HE LYS 32 -1.307 16.714 -12.087
234 HE3 LYS 32 1HE LYS 32 -2.714 15.653 -11.986
235 HZ1 LYS 32 3HZ LYS 32 -4.082 17.477 -12.801
236 HZ2 LYS 32 1HZ LYS 32 -2.887 17.074 -13.907
237 HZ3 LYS 32 2HZ LYS 32 -2.724 18.462 -12.967
238 H TYR 33 H TYR 33 -4.030 15.346 -5.866
239 HA TYR 33 HA TYR 33 -4.979 13.162 -7.573
240 HB2 TYR 33 2HB TYR 33 -3.437 12.854 -4.946
241 HB3 TYR 33 1HB TYR 33 -3.935 11.603 -6.016
242 HD1 TYR 33 1HD TYR 33 -1.692 14.596 -5.914
243 HD2 TYR 33 2HD TYR 33 -2.581 10.887 -7.803
244 HE1 TYR 33 1HE TYR 33 0.361 14.782 -7.226
245 HE2 TYR 33 2HE TYR 33 -0.519 11.061 -9.102
246 HH TYR 33 HH TYR 33 1.947 13.362 -8.516
247 HA PRO 34 HA PRO 34 -8.908 13.224 -5.557
248 HB2 PRO 34 2HB PRO 34 -9.215 10.448 -5.259
249 HB3 PRO 34 1HB PRO 34 -9.685 11.397 -6.664
250 HG2 PRO 34 2HG PRO 34 -7.234 9.776 -6.225
251 HG3 PRO 34 1HG PRO 34 -8.171 10.032 -7.703
252 HD2 PRO 34 2HD PRO 34 -5.843 11.242 -7.323
253 HD3 PRO 34 1HD PRO 34 -7.194 12.086 -8.112
254 H PHE 35 H PHE 35 -6.352 11.436 -4.122
255 HA PHE 35 HA PHE 35 -7.658 11.451 -1.486
256 HB2 PHE 35 2HB PHE 35 -6.056 9.587 -0.976
257 HB3 PHE 35 1HB PHE 35 -7.270 9.228 -2.208
258 HD1 PHE 35 2HD PHE 35 -6.663 8.969 -4.493
259 HD2 PHE 35 1HD PHE 35 -3.718 9.795 -1.579
260 HE1 PHE 35 2HE PHE 35 -4.984 8.371 -6.095
261 HE2 PHE 35 1HE PHE 35 -1.955 9.161 -3.170
262 HZ PHE 35 HZ PHE 35 -2.572 8.448 -5.467
263 H CYS 36 H CYS 36 -5.929 13.490 -2.914
264 HA CYS 36 HA CYS 36 -3.535 13.340 -1.318
265 HB2 CYS 36 2HB CYS 36 -3.126 13.869 -3.513
266 HB3 CYS 36 1HB CYS 36 -4.252 15.216 -3.591
267 H HIS 37 H HIS 37 -3.355 14.064 0.525
268 HA HIS 37 HA HIS 37 -5.277 15.739 1.787
269 HB2 HIS 37 2HB HIS 37 -3.824 15.380 3.776
270 HB3 HIS 37 1HB HIS 37 -4.374 13.895 3.016
271 HD1 HIS 37 1HD HIS 37 -2.537 12.169 2.858
272 HD2 HIS 37 2HD HIS 37 -1.032 16.046 2.770
273 HE1 HIS 37 1HE HIS 37 -0.022 11.956 2.681
274 H CYS 38 H CYS 38 -2.695 16.560 -0.135
275 HA CYS 38 HA CYS 38 -1.434 18.503 1.487
276 HB2 CYS 38 2HB CYS 38 -0.380 17.368 -0.505
277 HB3 CYS 38 1HB CYS 38 -1.388 18.378 -1.532
278 H ARG 39 H ARG 39 -1.632 20.696 1.510
279 HA ARG 39 HA ARG 39 -3.899 21.897 0.166
280 HB2 ARG 39 2HB ARG 39 -4.733 22.843 2.299
281 HB3 ARG 39 1HB ARG 39 -4.886 21.096 2.207
282 HG2 ARG 39 2HG ARG 39 -2.832 20.901 3.570
283 HG3 ARG 39 1HG ARG 39 -2.825 22.654 3.754
284 HD2 ARG 39 2HD ARG 39 -5.055 22.533 4.779
285 HD3 ARG 39 1HD ARG 39 -5.022 20.779 4.622
286 HE ARG 39 HE ARG 39 -3.066 22.281 6.209
287 HH11 ARG 39 1HH1 ARG 39 -5.255 19.492 5.890
288 HH12 ARG 39 2HH1 ARG 39 -4.969 18.905 7.441
289 HH21 ARG 39 1HH2 ARG 39 -2.664 21.452 8.363
290 HH22 ARG 39 2HH2 ARG 39 -3.432 20.027 8.877
Start of MODEL 20
1 H1 HIS 1 H HIS 1 8.147 11.296 -10.795
2 HA HIS 1 HA HIS 1 8.446 8.661 -10.310
3 HB2 HIS 1 2HB HIS 1 11.151 10.023 -10.001
4 HB3 HIS 1 1HB HIS 1 10.768 8.362 -9.593
5 HD1 HIS 1 1HD HIS 1 12.249 10.372 -12.208
6 HD2 HIS 1 2HD HIS 1 10.138 6.790 -12.037
7 HE1 HIS 1 1HE HIS 1 12.733 9.183 -14.367
8 H GLY 2 H GLY 2 10.246 11.444 -9.102
9 HA2 GLY 2 2HA GLY 2 9.288 12.879 -7.440
10 HA3 GLY 2 1HA GLY 2 8.604 11.445 -6.671
11 H GLU 3 H GLU 3 10.183 13.304 -5.386
12 HA GLU 3 HA GLU 3 12.826 12.177 -5.134
13 HB2 GLU 3 2HB GLU 3 12.519 14.626 -5.064
14 HB3 GLU 3 1HB GLU 3 11.491 14.457 -3.656
15 HG2 GLU 3 2HG GLU 3 13.369 13.646 -2.359
16 HG3 GLU 3 1HG GLU 3 14.406 13.742 -3.784
17 H GLY 4 H GLY 4 12.366 10.178 -4.407
18 HA2 GLY 4 2HA GLY 4 12.585 9.421 -1.918
19 HA3 GLY 4 1HA GLY 4 10.865 9.822 -1.964
20 H THR 5 H THR 5 11.924 7.232 -1.532
21 HA THR 5 HA THR 5 11.200 5.945 -4.047
22 HB THR 5 HB THR 5 12.821 4.789 -1.767
23 HG1 THR 5 1HG THR 5 13.504 6.038 -4.204
24 HG21 THR 5 3HG2 THR 5 11.681 3.102 -3.157
25 HG22 THR 5 1HG2 THR 5 13.422 3.067 -3.434
26 HG23 THR 5 2HG2 THR 5 12.355 3.835 -4.609
27 H PHE 6 H PHE 6 9.117 5.445 -3.979
28 HA PHE 6 HA PHE 6 8.255 3.858 -1.731
29 HB2 PHE 6 2HB PHE 6 5.852 4.431 -2.439
30 HB3 PHE 6 1HB PHE 6 6.770 5.717 -1.685
31 HD1 PHE 6 1HD PHE 6 7.495 7.650 -2.999
32 HD2 PHE 6 2HD PHE 6 5.123 4.566 -4.712
33 HE1 PHE 6 1HE PHE 6 6.913 9.142 -4.860
34 HE2 PHE 6 2HE PHE 6 4.543 6.063 -6.585
35 HZ PHE 6 HZ PHE 6 5.435 8.343 -6.651
36 H THR 7 H THR 7 8.404 1.907 -2.149
37 HA THR 7 HA THR 7 8.035 0.908 -4.847
38 HB THR 7 HB THR 7 10.422 1.265 -4.574
39 HG1 THR 7 1HG THR 7 10.807 -0.549 -5.471
40 HG21 THR 7 3HG2 THR 7 10.579 1.249 -2.138
41 HG22 THR 7 1HG2 THR 7 11.721 0.103 -2.842
42 HG23 THR 7 2HG2 THR 7 10.222 -0.476 -2.115
43 H SER 8 H SER 8 7.581 -1.254 -4.971
44 HA SER 8 HA SER 8 5.765 -2.468 -3.362
45 HB2 SER 8 2HB SER 8 7.867 -3.681 -5.150
46 HB3 SER 8 1HB SER 8 6.358 -4.452 -4.660
47 HG SER 8 HG SER 8 5.235 -2.832 -5.678
48 H ASP 9 H ASP 9 6.815 -5.129 -2.910
49 HA ASP 9 HA ASP 9 7.634 -4.954 -0.223
50 HB2 ASP 9 2HB ASP 9 7.539 -7.299 -2.095
51 HB3 ASP 9 1HB ASP 9 7.992 -7.448 -0.402
52 H LEU 10 H LEU 10 9.502 -4.142 -2.541
53 HA LEU 10 HA LEU 10 12.033 -5.299 -2.151
54 HB2 LEU 10 2HB LEU 10 11.202 -3.843 -4.061
55 HB3 LEU 10 1HB LEU 10 11.273 -2.475 -3.001
56 HG LEU 10 HG LEU 10 13.706 -4.080 -3.844
57 HD11 LEU 10 1HD1 LEU 10 12.653 -3.078 -5.776
58 HD12 LEU 10 2HD1 LEU 10 14.139 -2.213 -5.376
59 HD13 LEU 10 3HD1 LEU 10 12.576 -1.522 -4.952
60 HD21 LEU 10 3HD2 LEU 10 13.989 -2.771 -1.773
61 HD22 LEU 10 1HD2 LEU 10 13.474 -1.319 -2.628
62 HD23 LEU 10 2HD2 LEU 10 14.970 -2.134 -3.094
63 H SER 11 H SER 11 10.361 -2.478 -0.688
64 HA SER 11 HA SER 11 12.409 -2.392 1.398
65 HB2 SER 11 2HB SER 11 11.203 -0.225 1.975
66 HB3 SER 11 1HB SER 11 12.005 -0.251 0.399
67 HG SER 11 HG SER 11 9.917 0.569 0.230
68 H LYS 12 H LYS 12 9.560 -3.719 0.682
69 HA LYS 12 HA LYS 12 7.856 -4.775 1.641
70 HB2 LYS 12 2HB LYS 12 8.268 -6.185 3.496
71 HB3 LYS 12 1HB LYS 12 9.595 -6.198 2.333
72 HG2 LYS 12 2HG LYS 12 10.948 -4.862 3.847
73 HG3 LYS 12 1HG LYS 12 9.597 -4.751 4.981
74 HD2 LYS 12 2HD LYS 12 9.610 -7.169 5.232
75 HD3 LYS 12 1HD LYS 12 10.952 -7.277 4.098
76 HE2 LYS 12 2HE LYS 12 11.021 -5.797 6.731
77 HE3 LYS 12 1HE LYS 12 11.665 -7.415 6.469
78 HZ1 LYS 12 3HZ LYS 12 13.247 -6.515 4.903
79 HZ2 LYS 12 1HZ LYS 12 13.379 -5.719 6.374
80 HZ3 LYS 12 2HZ LYS 12 12.634 -4.962 5.066
81 H GLN 13 H GLN 13 8.077 -2.018 2.342
82 HA GLN 13 HA GLN 13 6.431 -1.887 4.737
83 HB2 GLN 13 2HB GLN 13 7.273 0.290 2.789
84 HB3 GLN 13 1HB GLN 13 6.264 0.564 4.188
85 HG2 GLN 13 2HG GLN 13 8.132 -0.165 5.627
86 HG3 GLN 13 1HG GLN 13 9.132 -0.335 4.183
87 HE21 GLN 13 1HE2 GLN 13 10.575 1.272 4.970
88 HE22 GLN 13 2HE2 GLN 13 10.118 2.935 4.932
89 H MET 14 H MET 14 4.455 -0.177 4.143
90 HA MET 14 HA MET 14 2.845 -1.741 2.345
91 HB2 MET 14 2HB MET 14 1.866 -0.983 4.457
92 HB3 MET 14 1HB MET 14 2.150 0.691 4.002
93 HG2 MET 14 2HG MET 14 -0.175 0.118 3.676
94 HG3 MET 14 1HG MET 14 0.618 0.451 2.140
95 HE1 MET 14 3HE MET 14 -2.208 -0.929 2.418
96 HE2 MET 14 1HE MET 14 -2.086 -2.233 1.235
97 HE3 MET 14 2HE MET 14 -1.444 -0.637 0.856
98 H GLU 15 H GLU 15 2.601 -1.323 0.327
99 HA GLU 15 HA GLU 15 3.586 1.148 -0.861
100 HB2 GLU 15 2HB GLU 15 3.840 -1.430 -1.616
101 HB3 GLU 15 1HB GLU 15 2.298 -1.104 -2.374
102 HG2 GLU 15 2HG GLU 15 4.865 0.373 -2.925
103 HG3 GLU 15 1HG GLU 15 4.204 -0.919 -3.908
104 H GLU 16 H GLU 16 2.004 2.681 -0.383
105 HA GLU 16 HA GLU 16 -0.765 2.036 -1.101
106 HB2 GLU 16 2HB GLU 16 -1.518 3.214 0.952
107 HB3 GLU 16 1HB GLU 16 -0.674 1.709 1.272
108 HG2 GLU 16 2HG GLU 16 1.351 2.951 1.840
109 HG3 GLU 16 1HG GLU 16 0.543 4.465 1.452
110 H GLU 17 H GLU 17 -2.129 4.173 -0.716
111 HA GLU 17 HA GLU 17 -1.026 6.194 -2.387
112 HB2 GLU 17 2HB GLU 17 -3.725 5.512 -1.232
113 HB3 GLU 17 1HB GLU 17 -3.424 7.056 -2.002
114 HG2 GLU 17 2HG GLU 17 -4.498 5.436 -3.505
115 HG3 GLU 17 1HG GLU 17 -2.938 5.981 -4.100
116 H ALA 18 H ALA 18 -2.292 8.180 -1.407
117 HA ALA 18 HA ALA 18 -1.725 10.161 -0.325
118 HB1 ALA 18 1HB ALA 18 -1.551 10.133 2.102
119 HB2 ALA 18 2HB ALA 18 -1.346 8.384 2.092
120 HB3 ALA 18 3HB ALA 18 -2.880 9.095 1.577
121 H VAL 19 H VAL 19 0.494 7.954 -0.986
122 HA VAL 19 HA VAL 19 2.772 9.589 -0.124
123 HB VAL 19 HB VAL 19 2.772 6.894 -1.529
124 HG11 VAL 19 1HG1 VAL 19 5.089 6.742 -0.746
125 HG12 VAL 19 2HG1 VAL 19 4.951 8.379 -0.088
126 HG13 VAL 19 3HG1 VAL 19 4.811 8.109 -1.828
127 HG21 VAL 19 3HG2 VAL 19 1.708 6.650 0.639
128 HG22 VAL 19 1HG2 VAL 19 3.075 7.448 1.417
129 HG23 VAL 19 2HG2 VAL 19 3.296 5.879 0.640
130 H ARG 20 H ARG 20 0.745 8.675 -2.638
131 HA ARG 20 HA ARG 20 2.297 8.968 -4.973
132 HB2 ARG 20 2HB ARG 20 -0.648 9.445 -4.595
133 HB3 ARG 20 1HB ARG 20 0.160 9.076 -6.133
134 HG2 ARG 20 2HG ARG 20 -0.165 7.327 -3.725
135 HG3 ARG 20 1HG ARG 20 -1.148 7.247 -5.180
136 HD2 ARG 20 2HD ARG 20 0.868 6.637 -6.442
137 HD3 ARG 20 1HD ARG 20 1.794 6.653 -4.931
138 HE ARG 20 HE ARG 20 -0.594 4.993 -5.017
139 HH11 ARG 20 1HH1 ARG 20 2.923 5.006 -5.322
140 HH12 ARG 20 2HH1 ARG 20 3.038 3.364 -4.796
141 HH21 ARG 20 1HH2 ARG 20 -0.394 2.907 -4.390
142 HH22 ARG 20 2HH2 ARG 20 1.145 2.108 -4.339
143 H CYS 21 H CYS 21 0.493 11.266 -3.006
144 HA CYS 21 HA CYS 21 1.141 13.432 -4.864
145 HB2 CYS 21 2HB CYS 21 -1.259 13.069 -4.319
146 HB3 CYS 21 1HB CYS 21 -0.919 13.376 -2.632
147 H PHE 22 H PHE 22 2.404 11.990 -2.232
148 HA PHE 22 HA PHE 22 2.508 14.088 -0.326
149 HB2 PHE 22 2HB PHE 22 2.657 11.683 0.232
150 HB3 PHE 22 1HB PHE 22 4.263 11.635 -0.477
151 HD1 PHE 22 1HD PHE 22 2.223 12.753 2.304
152 HD2 PHE 22 2HD PHE 22 6.157 12.674 0.685
153 HE1 PHE 22 1HE PHE 22 3.109 13.397 4.472
154 HE2 PHE 22 2HE PHE 22 7.070 13.340 2.863
155 HZ PHE 22 HZ PHE 22 5.554 13.706 4.771
156 H ILE 23 H ILE 23 4.966 12.791 -2.535
157 HA ILE 23 HA ILE 23 6.818 14.827 -1.722
158 HB ILE 23 HB ILE 23 7.122 12.840 -4.015
159 HG12 ILE 23 2HG1 ILE 23 8.816 11.797 -2.333
160 HG13 ILE 23 1HG1 ILE 23 7.903 12.702 -1.127
161 HG21 ILE 23 1HG2 ILE 23 9.506 13.360 -3.810
162 HG22 ILE 23 2HG2 ILE 23 9.121 14.579 -2.598
163 HG23 ILE 23 3HG2 ILE 23 8.551 14.776 -4.256
164 HD11 ILE 23 3HD1 ILE 23 5.900 11.440 -1.692
165 HD12 ILE 23 1HD1 ILE 23 7.216 10.367 -1.219
166 HD13 ILE 23 2HD1 ILE 23 6.799 10.551 -2.921
167 H GLU 24 H GLU 24 4.605 14.212 -4.213
168 HA GLU 24 HA GLU 24 5.270 16.240 -6.066
169 HB2 GLU 24 2HB GLU 24 2.474 15.422 -5.251
170 HB3 GLU 24 1HB GLU 24 2.930 16.208 -6.754
171 HG2 GLU 24 2HG GLU 24 3.568 13.457 -5.836
172 HG3 GLU 24 1HG GLU 24 2.450 13.900 -7.109
173 H CYS 25 H CYS 25 3.172 16.259 -3.252
174 HA CYS 25 HA CYS 25 2.669 19.061 -3.299
175 HB2 CYS 25 2HB CYS 25 1.121 17.455 -2.272
176 HB3 CYS 25 1HB CYS 25 2.295 17.121 -1.005
177 H LEU 26 H LEU 26 5.274 17.180 -2.122
178 HA LEU 26 HA LEU 26 6.288 18.982 -0.183
179 HB2 LEU 26 2HB LEU 26 7.049 16.646 -0.372
180 HB3 LEU 26 1HB LEU 26 7.711 16.977 -1.953
181 HG LEU 26 HG LEU 26 9.406 18.448 -0.914
182 HD11 LEU 26 1HD1 LEU 26 9.711 18.387 1.515
183 HD12 LEU 26 2HD1 LEU 26 8.188 17.510 1.678
184 HD13 LEU 26 3HD1 LEU 26 8.201 19.161 1.049
185 HD21 LEU 26 3HD2 LEU 26 9.941 16.126 -1.345
186 HD22 LEU 26 1HD2 LEU 26 9.244 15.657 0.209
187 HD23 LEU 26 2HD2 LEU 26 10.692 16.658 0.158
188 H LYS 27 H LYS 27 6.310 18.844 -3.619
189 HA LYS 27 HA LYS 27 8.159 21.032 -3.963
190 HB2 LYS 27 2HB LYS 27 6.238 19.681 -5.869
191 HB3 LYS 27 1HB LYS 27 7.266 21.027 -6.333
192 HG2 LYS 27 2HG LYS 27 9.241 19.715 -5.917
193 HG3 LYS 27 1HG LYS 27 8.260 18.388 -5.290
194 HD2 LYS 27 2HD LYS 27 7.267 18.024 -7.436
195 HD3 LYS 27 1HD LYS 27 8.025 19.475 -8.089
196 HE2 LYS 27 2HE LYS 27 9.154 17.374 -8.766
197 HE3 LYS 27 1HE LYS 27 10.198 18.497 -7.902
198 HZ1 LYS 27 3HZ LYS 27 10.430 16.167 -7.199
199 HZ2 LYS 27 1HZ LYS 27 8.847 16.171 -6.636
200 HZ3 LYS 27 2HZ LYS 27 10.021 17.172 -5.936
201 H GLY 28 H GLY 28 4.703 20.659 -4.760
202 HA2 GLY 28 2HA GLY 28 3.533 22.528 -3.256
203 HA3 GLY 28 1HA GLY 28 4.335 23.532 -4.444
204 H ILE 29 H ILE 29 2.140 20.751 -4.209
205 HA ILE 29 HA ILE 29 0.570 22.019 -6.152
206 HB ILE 29 HB ILE 29 0.045 19.808 -7.314
207 HG12 ILE 29 2HG1 ILE 29 2.020 18.134 -7.231
208 HG13 ILE 29 1HG1 ILE 29 2.324 18.830 -5.644
209 HG21 ILE 29 1HG2 ILE 29 1.432 21.388 -8.431
210 HG22 ILE 29 2HG2 ILE 29 2.010 19.748 -8.759
211 HG23 ILE 29 3HG2 ILE 29 2.851 20.771 -7.587
212 HD11 ILE 29 3HD1 ILE 29 -0.027 18.335 -5.090
213 HD12 ILE 29 1HD1 ILE 29 0.978 16.889 -5.343
214 HD13 ILE 29 2HD1 ILE 29 -0.130 17.439 -6.606
215 H GLY 30 H GLY 30 -1.023 22.318 -5.306
216 HA2 GLY 30 2HA GLY 30 -1.937 20.924 -2.922
217 HA3 GLY 30 1HA GLY 30 -2.658 22.405 -3.547
218 H HIS 31 H HIS 31 -3.070 19.192 -3.050
219 HA HIS 31 HA HIS 31 -4.600 17.635 -3.629
220 HB2 HIS 31 2HB HIS 31 -6.063 19.308 -2.609
221 HB3 HIS 31 1HB HIS 31 -6.239 20.129 -4.146
222 HD1 HIS 31 1HD HIS 31 -8.667 19.834 -4.721
223 HD2 HIS 31 2HD HIS 31 -6.964 16.324 -3.284
224 HE1 HIS 31 1HE HIS 31 -10.447 18.095 -4.894
225 H LYS 32 H LYS 32 -3.176 17.081 -5.404
226 HA LYS 32 HA LYS 32 -4.237 17.703 -8.073
227 HB2 LYS 32 2HB LYS 32 -1.832 17.981 -7.665
228 HB3 LYS 32 1HB LYS 32 -1.710 16.277 -7.254
229 HG2 LYS 32 2HG LYS 32 -2.228 15.649 -9.509
230 HG3 LYS 32 1HG LYS 32 -2.535 17.328 -9.951
231 HD2 LYS 32 2HD LYS 32 -0.187 17.869 -9.409
232 HD3 LYS 32 1HD LYS 32 0.098 16.169 -9.036
233 HE2 LYS 32 2HE LYS 32 0.874 16.706 -11.284
234 HE3 LYS 32 1HE LYS 32 -0.473 15.575 -11.338
235 HZ1 LYS 32 3HZ LYS 32 -1.938 17.415 -11.870
236 HZ2 LYS 32 1HZ LYS 32 -0.708 17.285 -12.997
237 HZ3 LYS 32 2HZ LYS 32 -0.651 18.494 -11.833
238 H TYR 33 H TYR 33 -4.245 15.284 -5.754
239 HA TYR 33 HA TYR 33 -5.222 13.262 -7.666
240 HB2 TYR 33 2HB TYR 33 -3.769 12.825 -5.041
241 HB3 TYR 33 1HB TYR 33 -4.451 11.564 -6.032
242 HD1 TYR 33 2HD TYR 33 -2.006 14.368 -6.288
243 HD2 TYR 33 1HD TYR 33 -3.044 10.429 -7.446
244 HE1 TYR 33 2HE TYR 33 0.129 14.189 -7.386
245 HE2 TYR 33 1HE TYR 33 -0.886 10.168 -8.550
246 HH TYR 33 HH TYR 33 1.682 12.078 -7.938
247 HA PRO 34 HA PRO 34 -9.142 13.301 -5.574
248 HB2 PRO 34 2HB PRO 34 -9.416 10.522 -5.160
249 HB3 PRO 34 1HB PRO 34 -9.946 11.416 -6.582
250 HG2 PRO 34 2HG PRO 34 -7.448 9.869 -6.157
251 HG3 PRO 34 1HG PRO 34 -8.448 10.029 -7.611
252 HD2 PRO 34 2HD PRO 34 -6.153 11.314 -7.404
253 HD3 PRO 34 1HD PRO 34 -7.571 12.110 -8.127
254 H PHE 35 H PHE 35 -6.694 11.243 -4.194
255 HA PHE 35 HA PHE 35 -7.872 11.409 -1.525
256 HB2 PHE 35 2HB PHE 35 -6.175 9.609 -1.024
257 HB3 PHE 35 1HB PHE 35 -7.426 9.192 -2.194
258 HD1 PHE 35 2HD PHE 35 -3.873 9.962 -1.758
259 HD2 PHE 35 1HD PHE 35 -6.915 8.834 -4.491
260 HE1 PHE 35 2HE PHE 35 -2.176 9.434 -3.419
261 HE2 PHE 35 1HE PHE 35 -5.270 8.313 -6.163
262 HZ PHE 35 HZ PHE 35 -2.858 8.592 -5.668
263 H CYS 36 H CYS 36 -6.047 13.403 -3.089
264 HA CYS 36 HA CYS 36 -3.802 13.515 -1.244
265 HB2 CYS 36 2HB CYS 36 -3.256 13.864 -3.543
266 HB3 CYS 36 1HB CYS 36 -4.430 15.173 -3.696
267 H HIS 37 H HIS 37 -4.149 14.411 0.604
268 HA HIS 37 HA HIS 37 -6.081 16.574 0.769
269 HB2 HIS 37 2HB HIS 37 -4.968 14.713 2.858
270 HB3 HIS 37 1HB HIS 37 -5.899 16.149 3.269
271 HD1 HIS 37 1HD HIS 37 -8.350 15.698 3.557
272 HD2 HIS 37 2HD HIS 37 -6.545 12.957 1.004
273 HE1 HIS 37 1HE HIS 37 -10.152 14.059 2.909
274 H CYS 38 H CYS 38 -3.013 16.398 0.139
275 HA CYS 38 HA CYS 38 -2.048 18.343 2.056
276 HB2 CYS 38 2HB CYS 38 -0.588 16.454 1.307
277 HB3 CYS 38 1HB CYS 38 -0.645 17.105 -0.324
278 H ARG 39 H ARG 39 -2.090 20.478 1.686
279 HA ARG 39 HA ARG 39 -2.056 21.510 -1.026
280 HB2 ARG 39 2HB ARG 39 -4.119 22.340 1.028
281 HB3 ARG 39 1HB ARG 39 -3.778 23.155 -0.496
282 HG2 ARG 39 2HG ARG 39 -4.536 21.193 -1.732
283 HG3 ARG 39 1HG ARG 39 -4.856 20.355 -0.215
284 HD2 ARG 39 2HD ARG 39 -6.183 22.914 -1.108
285 HD3 ARG 39 1HD ARG 39 -6.898 21.308 -1.231
286 HE ARG 39 HE ARG 39 -6.101 21.876 1.429
287 HH11 ARG 39 1HH1 ARG 39 -8.636 22.663 -0.898
288 HH12 ARG 39 2HH1 ARG 39 -9.839 22.940 0.264
289 HH21 ARG 39 1HH2 ARG 39 -7.739 22.237 3.042
290 HH22 ARG 39 2HH2 ARG 39 -9.318 22.682 2.590