NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26323 |
2ki9   |
16268 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 HT1 ASP 1 11.427 -3.029 -0.651
2 H2 ASP 1 HT2 ASP 1 12.320 -1.757 -1.333
3 H3 ASP 1 HT3 ASP 1 10.658 -1.560 -1.023
4 HA ASP 1 HA ASP 1 12.773 -1.935 1.030
5 HB2 ASP 1 HB2 ASP 1 11.026 0.491 0.579
6 HB3 ASP 1 HB1 ASP 1 12.471 0.368 1.571
7 H VAL 2 HN VAL 2 11.273 -0.435 2.880
8 HA VAL 2 HA VAL 2 8.828 -2.112 3.276
9 HB VAL 2 HB VAL 2 9.048 -0.990 5.676
10 HG11 VAL 2 HG11 VAL 2 10.407 -2.941 6.403
11 HG12 VAL 2 HG12 VAL 2 10.811 -3.265 4.717
12 HG13 VAL 2 HG13 VAL 2 9.140 -3.403 5.266
13 HG21 VAL 2 HG21 VAL 2 11.930 -1.049 4.728
14 HG22 VAL 2 HG22 VAL 2 11.369 -0.652 6.352
15 HG23 VAL 2 HG23 VAL 2 10.996 0.421 5.004
16 H ARG 3 HN ARG 3 10.248 1.017 2.905
17 HA ARG 3 HA ARG 3 7.752 2.539 3.227
18 HB2 ARG 3 HB2 ARG 3 9.486 4.060 1.651
19 HB3 ARG 3 HB1 ARG 3 9.345 4.170 3.398
20 HG2 ARG 3 HG2 ARG 3 11.143 2.594 3.719
21 HG3 ARG 3 HG1 ARG 3 11.194 2.231 1.992
22 HD2 ARG 3 HD2 ARG 3 12.676 3.890 1.712
23 HD3 ARG 3 HD1 ARG 3 11.461 5.049 2.236
24 HE ARG 3 HE ARG 3 13.642 3.952 3.883
25 HH11 ARG 3 HH21 ARG 3 10.659 5.697 3.674
26 HH12 ARG 3 HH22 ARG 3 10.813 6.408 5.246
27 HH21 ARG 3 HH11 ARG 3 13.851 4.880 5.943
28 HH22 ARG 3 HH12 ARG 3 12.616 5.945 6.527
29 H LEU 4 HN LEU 4 9.945 2.099 0.466
30 HA LEU 4 HA LEU 4 7.604 1.399 -1.235
31 HB2 LEU 4 HB2 LEU 4 9.871 3.172 -2.188
32 HB3 LEU 4 HB1 LEU 4 8.345 2.835 -3.003
33 HG LEU 4 HG LEU 4 7.476 3.861 -0.603
34 HD11 LEU 4 HD11 LEU 4 8.836 5.587 0.149
35 HD12 LEU 4 HD12 LEU 4 9.668 5.740 -1.398
36 HD13 LEU 4 HD13 LEU 4 10.049 4.397 -0.323
37 HD21 LEU 4 HD21 LEU 4 8.140 5.370 -3.151
38 HD22 LEU 4 HD22 LEU 4 7.029 5.930 -1.901
39 HD23 LEU 4 HD23 LEU 4 6.649 4.483 -2.835
40 H ALA 5 HN ALA 5 10.181 1.757 -3.200
41 HA ALA 5 HA ALA 5 11.587 -0.744 -2.543
42 HB1 ALA 5 HB1 ALA 5 11.130 -1.803 -4.686
43 HB2 ALA 5 HB2 ALA 5 10.193 -0.407 -5.214
44 HB3 ALA 5 HB3 ALA 5 9.589 -1.432 -3.914
45 H LYS 6 HN LYS 6 12.430 1.954 -2.553
46 HA LYS 6 HA LYS 6 14.551 1.798 -4.597
47 HB2 LYS 6 HB2 LYS 6 12.345 3.814 -4.597
48 HB3 LYS 6 HB1 LYS 6 13.966 4.386 -4.982
49 HG2 LYS 6 HG2 LYS 6 12.649 2.023 -6.355
50 HG3 LYS 6 HG1 LYS 6 12.625 3.663 -6.995
51 HD2 LYS 6 HD2 LYS 6 14.720 3.484 -7.788
52 HD3 LYS 6 HD1 LYS 6 15.329 2.892 -6.240
53 HE2 LYS 6 HE2 LYS 6 15.676 1.135 -7.924
54 HE3 LYS 6 HE1 LYS 6 14.404 0.605 -6.819
55 HZ1 LYS 6 HZ1 LYS 6 13.640 2.105 -9.219
56 HZ2 LYS 6 HZ2 LYS 6 12.787 0.904 -8.369
57 HZ3 LYS 6 HZ3 LYS 6 14.078 0.477 -9.383
58 H THR 7 HN THR 7 13.122 3.902 -2.045
59 HA THR 7 HA THR 7 15.491 5.338 -1.518
60 HB THR 7 HB THR 7 14.122 5.004 0.953
61 HG1 THR 7 HG1 THR 7 11.975 5.576 0.008
62 HG21 THR 7 HG21 THR 7 13.796 7.125 -1.187
63 HG22 THR 7 HG22 THR 7 15.088 7.085 0.013
64 HG23 THR 7 HG23 THR 7 13.417 7.302 0.528
65 H LEU 8 HN LEU 8 14.259 2.424 0.169
66 HA LEU 8 HA LEU 8 16.786 2.098 1.605
67 HB2 LEU 8 HB2 LEU 8 14.542 0.097 1.201
68 HB3 LEU 8 HB1 LEU 8 15.835 -0.011 2.392
69 HG LEU 8 HG LEU 8 13.689 2.127 2.264
70 HD11 LEU 8 HD11 LEU 8 14.115 0.453 4.671
71 HD12 LEU 8 HD12 LEU 8 13.445 -0.375 3.265
72 HD13 LEU 8 HD13 LEU 8 12.616 1.026 3.941
73 HD21 LEU 8 HD21 LEU 8 15.530 3.291 3.114
74 HD22 LEU 8 HD22 LEU 8 16.217 1.853 3.871
75 HD23 LEU 8 HD23 LEU 8 14.813 2.641 4.589
76 H GLY 9 HN GLY 9 15.263 0.750 -1.291
77 HA2 GLY 9 HA2 GLY 9 17.145 -1.277 -1.909
78 HA3 GLY 9 HA1 GLY 9 16.279 -0.330 -3.123
79 H LEU 10 HN LEU 10 17.209 2.211 -2.705
80 HA LEU 10 HA LEU 10 19.823 2.232 -3.890
81 HB2 LEU 10 HB2 LEU 10 17.955 4.239 -2.743
82 HB3 LEU 10 HB1 LEU 10 19.658 4.694 -2.735
83 HG LEU 10 HG LEU 10 18.385 3.562 -5.222
84 HD11 LEU 10 HD11 LEU 10 17.857 5.821 -5.956
85 HD12 LEU 10 HD12 LEU 10 18.515 6.499 -4.468
86 HD13 LEU 10 HD13 LEU 10 17.042 5.530 -4.418
87 HD21 LEU 10 HD21 LEU 10 20.592 5.607 -4.929
88 HD22 LEU 10 HD22 LEU 10 20.234 4.581 -6.316
89 HD23 LEU 10 HD23 LEU 10 20.922 3.876 -4.854
90 H VAL 11 HN VAL 11 18.799 3.108 -0.565
91 HA VAL 11 HA VAL 11 21.340 3.407 0.587
92 HB VAL 11 HB VAL 11 18.942 2.058 1.869
93 HG11 VAL 11 HG11 VAL 11 19.958 3.032 3.954
94 HG12 VAL 11 HG12 VAL 11 21.375 3.469 2.999
95 HG13 VAL 11 HG13 VAL 11 20.939 1.772 3.208
96 HG21 VAL 11 HG21 VAL 11 17.957 4.097 2.056
97 HG22 VAL 11 HG22 VAL 11 19.059 4.605 0.778
98 HG23 VAL 11 HG23 VAL 11 19.479 4.884 2.467
99 H LEU 12 HN LEU 12 19.449 0.388 0.259
100 HA LEU 12 HA LEU 12 21.421 -1.372 1.331
101 HB2 LEU 12 HB2 LEU 12 19.026 -1.622 -0.400
102 HB3 LEU 12 HB1 LEU 12 20.221 -2.903 -0.598
103 HG LEU 12 HG LEU 12 19.538 -2.110 2.195
104 HD11 LEU 12 HD11 LEU 12 17.621 -3.870 1.992
105 HD12 LEU 12 HD12 LEU 12 17.650 -3.458 0.277
106 HD13 LEU 12 HD13 LEU 12 17.308 -2.212 1.478
107 HD21 LEU 12 HD21 LEU 12 19.806 -4.845 0.929
108 HD22 LEU 12 HD22 LEU 12 19.993 -4.415 2.629
109 HD23 LEU 12 HD23 LEU 12 21.205 -3.906 1.453
110 H ALA 13 HN ALA 13 20.741 -0.610 -2.101
111 HA ALA 13 HA ALA 13 22.973 -2.002 -3.169
112 HB1 ALA 13 HB1 ALA 13 21.762 0.526 -4.319
113 HB2 ALA 13 HB2 ALA 13 21.019 -1.066 -4.476
114 HB3 ALA 13 HB3 ALA 13 22.597 -0.753 -5.197
115 H VAL 14 HN VAL 14 22.764 1.130 -1.644
116 HA VAL 14 HA VAL 14 25.471 1.887 -2.546
117 HB VAL 14 HB VAL 14 23.425 3.250 -0.772
118 HG11 VAL 14 HG11 VAL 14 26.277 3.966 -1.446
119 HG12 VAL 14 HG12 VAL 14 25.473 4.012 0.123
120 HG13 VAL 14 HG13 VAL 14 25.093 5.225 -1.100
121 HG21 VAL 14 HG21 VAL 14 23.517 4.919 -2.689
122 HG22 VAL 14 HG22 VAL 14 22.831 3.349 -3.108
123 HG23 VAL 14 HG23 VAL 14 24.487 3.739 -3.571
124 H LEU 15 HN LEU 15 23.810 1.234 0.556
125 HA LEU 15 HA LEU 15 26.116 1.382 2.184
126 HB2 LEU 15 HB2 LEU 15 24.287 1.193 3.535
127 HB3 LEU 15 HB1 LEU 15 23.430 0.136 2.417
128 HG LEU 15 HG LEU 15 25.861 -0.982 3.733
129 HD11 LEU 15 HD11 LEU 15 24.599 -1.550 5.771
130 HD12 LEU 15 HD12 LEU 15 23.227 -0.608 5.187
131 HD13 LEU 15 HD13 LEU 15 24.742 0.199 5.589
132 HD21 LEU 15 HD21 LEU 15 23.370 -2.504 3.813
133 HD22 LEU 15 HD22 LEU 15 24.912 -2.925 3.070
134 HD23 LEU 15 HD23 LEU 15 23.744 -1.949 2.181
135 H LEU 16 HN LEU 16 24.765 -1.355 0.337
136 HA LEU 16 HA LEU 16 26.521 -3.391 1.130
137 HB2 LEU 16 HB2 LEU 16 25.062 -2.745 -1.377
138 HB3 LEU 16 HB1 LEU 16 26.411 -3.867 -1.542
139 HG LEU 16 HG LEU 16 24.461 -4.283 0.697
140 HD11 LEU 16 HD11 LEU 16 24.018 -5.250 -2.140
141 HD12 LEU 16 HD12 LEU 16 23.111 -3.937 -1.387
142 HD13 LEU 16 HD13 LEU 16 22.992 -5.576 -0.744
143 HD21 LEU 16 HD21 LEU 16 25.157 -6.557 0.481
144 HD22 LEU 16 HD22 LEU 16 26.627 -5.599 0.303
145 HD23 LEU 16 HD23 LEU 16 25.835 -6.271 -1.122
146 H ILE 17 HN ILE 17 27.230 -0.467 -0.587
147 HA ILE 17 HA ILE 17 30.058 -1.376 -0.868
148 HB ILE 17 HB ILE 17 28.703 -1.179 -3.046
149 HG12 ILE 17 HG12 ILE 17 31.078 0.682 -2.966
150 HG13 ILE 17 HG11 ILE 17 31.270 -1.055 -2.721
151 HG21 ILE 17 HG21 ILE 17 29.010 1.770 -2.411
152 HG22 ILE 17 HG22 ILE 17 27.491 0.882 -2.495
153 HG23 ILE 17 HG23 ILE 17 28.460 1.104 -3.948
154 HD11 ILE 17 HD11 ILE 17 29.996 0.270 -5.129
155 HD12 ILE 17 HD12 ILE 17 30.117 -1.472 -4.875
156 HD13 ILE 17 HD13 ILE 17 31.579 -0.507 -5.087
157 H CYS 18 HN CYS 18 28.275 0.369 1.048
158 HA CYS 18 HA CYS 18 30.331 2.472 1.394
159 HB2 CYS 18 HB2 CYS 18 27.412 3.032 0.868
160 HB3 CYS 18 HB1 CYS 18 28.497 4.216 1.592
161 HG CYS 18 HG CYS 18 28.457 3.404 -1.362
162 H TRP 19 HN TRP 19 27.880 0.424 2.632
163 HA TRP 19 HA TRP 19 26.748 0.783 4.849
164 HB2 TRP 19 HB2 TRP 19 28.990 -0.621 5.979
165 HB3 TRP 19 HB1 TRP 19 27.441 -1.260 5.457
166 HD1 TRP 19 HD1 TRP 19 27.700 -3.063 3.691
167 HE1 TRP 19 HE1 TRP 19 29.316 -3.514 1.726
168 HE3 TRP 19 HE3 TRP 19 30.797 0.954 4.167
169 HZ2 TRP 19 HZ2 TRP 19 31.609 -2.310 0.518
170 HZ3 TRP 19 HZ3 TRP 19 32.674 1.294 2.595
171 HH2 TRP 19 HH2 TRP 19 33.083 -0.326 0.775
172 H PHE 20 HN PHE 20 29.841 0.595 6.393
173 HA PHE 20 HA PHE 20 30.038 3.469 6.881
174 HB2 PHE 20 HB2 PHE 20 29.651 1.828 9.376
175 HB3 PHE 20 HB1 PHE 20 29.487 3.561 9.151
176 HD1 PHE 20 HD1 PHE 20 27.481 4.517 8.070
177 HD2 PHE 20 HD2 PHE 20 27.812 0.306 8.863
178 HE1 PHE 20 HE1 PHE 20 25.042 4.260 7.727
179 HE2 PHE 20 HE2 PHE 20 25.373 0.053 8.507
180 HZ PHE 20 HZ PHE 20 23.987 2.026 7.940
181 HA PRO 21 HA PRO 21 33.662 1.302 8.976
182 HB2 PRO 21 HB2 PRO 21 33.526 -1.470 9.313
183 HB3 PRO 21 HB1 PRO 21 33.059 -0.260 10.517
184 HG2 PRO 21 HG2 PRO 21 31.372 -2.078 9.116
185 HG3 PRO 21 HG1 PRO 21 30.909 -0.843 10.294
186 HD2 PRO 21 HD2 PRO 21 30.744 -0.758 7.343
187 HD3 PRO 21 HD1 PRO 21 29.858 0.196 8.548
188 H VAL 22 HN VAL 22 32.343 -0.702 6.388
189 HA VAL 22 HA VAL 22 34.870 -1.856 5.633
190 HB VAL 22 HB VAL 22 32.687 -1.609 3.610
191 HG11 VAL 22 HG11 VAL 22 34.147 -4.039 4.673
192 HG12 VAL 22 HG12 VAL 22 34.812 -3.008 3.405
193 HG13 VAL 22 HG13 VAL 22 33.300 -3.874 3.135
194 HG21 VAL 22 HG21 VAL 22 31.535 -3.557 4.875
195 HG22 VAL 22 HG22 VAL 22 31.252 -1.925 5.475
196 HG23 VAL 22 HG23 VAL 22 32.409 -2.977 6.293
197 H LEU 23 HN LEU 23 33.528 1.274 5.074
198 HA LEU 23 HA LEU 23 34.799 1.743 2.519
199 HB2 LEU 23 HB2 LEU 23 34.624 4.209 3.210
200 HB3 LEU 23 HB1 LEU 23 33.116 3.320 3.046
201 HG LEU 23 HG LEU 23 33.705 2.864 5.684
202 HD11 LEU 23 HD11 LEU 23 34.840 4.590 6.669
203 HD12 LEU 23 HD12 LEU 23 34.227 5.781 5.522
204 HD13 LEU 23 HD13 LEU 23 35.578 4.741 5.075
205 HD21 LEU 23 HD21 LEU 23 32.204 5.204 4.468
206 HD22 LEU 23 HD22 LEU 23 32.017 4.638 6.126
207 HD23 LEU 23 HD23 LEU 23 31.545 3.600 4.784
208 H ALA 24 HN ALA 24 35.754 2.716 5.836
209 HA ALA 24 HA ALA 24 38.343 3.675 5.188
210 HB1 ALA 24 HB1 ALA 24 37.276 2.290 7.664
211 HB2 ALA 24 HB2 ALA 24 37.570 4.014 7.431
212 HB3 ALA 24 HB3 ALA 24 38.929 2.897 7.562
213 H LEU 25 HN LEU 25 37.156 0.401 5.788
214 HA LEU 25 HA LEU 25 39.748 -0.863 5.479
215 HB2 LEU 25 HB2 LEU 25 36.907 -1.764 5.655
216 HB3 LEU 25 HB1 LEU 25 38.040 -2.855 4.859
217 HG LEU 25 HG LEU 25 39.532 -2.731 6.834
218 HD11 LEU 25 HD11 LEU 25 38.268 -1.770 8.941
219 HD12 LEU 25 HD12 LEU 25 37.402 -0.817 7.739
220 HD13 LEU 25 HD13 LEU 25 39.154 -0.679 7.875
221 HD21 LEU 25 HD21 LEU 25 36.682 -3.450 7.595
222 HD22 LEU 25 HD22 LEU 25 38.157 -4.095 8.315
223 HD23 LEU 25 HD23 LEU 25 37.748 -4.487 6.645
224 H MET 26 HN MET 26 36.879 -0.652 3.359
225 HA MET 26 HA MET 26 37.828 -1.793 1.040
226 HB2 MET 26 HB2 MET 26 35.591 -0.867 1.141
227 HB3 MET 26 HB1 MET 26 36.224 0.765 1.335
228 HG2 MET 26 HG2 MET 26 37.387 -0.357 -1.033
229 HG3 MET 26 HG1 MET 26 35.645 -0.621 -1.098
230 HE1 MET 26 HE1 MET 26 34.177 2.527 -2.103
231 HE2 MET 26 HE2 MET 26 33.849 1.149 -1.054
232 HE3 MET 26 HE3 MET 26 34.573 0.888 -2.639
233 H ALA 27 HN ALA 27 38.484 1.551 2.100
234 HA ALA 27 HA ALA 27 40.073 2.310 -0.142
235 HB1 ALA 27 HB1 ALA 27 40.317 3.254 2.734
236 HB2 ALA 27 HB2 ALA 27 39.214 3.926 1.532
237 HB3 ALA 27 HB3 ALA 27 40.957 4.085 1.315
238 H HIS 28 HN HIS 28 40.726 -0.036 2.209
239 HA HIS 28 HA HIS 28 43.624 -0.001 1.464
240 HB2 HIS 28 HB2 HIS 28 42.948 0.877 3.873
241 HB3 HIS 28 HB1 HIS 28 42.804 -0.848 4.225
242 HD1 HIS 28 HD1 HIS 28 45.163 -1.704 2.235
243 HD2 HIS 28 HD2 HIS 28 45.405 1.190 5.240
244 HE1 HIS 28 HE1 HIS 28 47.623 -1.465 2.819
245 HE2 HIS 28 HE2 HIS 28 47.777 0.281 4.652
246 H SER 29 HN SER 29 40.961 -1.838 2.910
247 HA SER 29 HA SER 29 42.145 -4.440 2.610
248 HB2 SER 29 HB2 SER 29 39.186 -3.790 2.632
249 HB3 SER 29 HB1 SER 29 39.960 -5.266 3.185
250 HG SER 29 HG SER 29 41.125 -3.743 4.676
251 H LEU 30 HN LEU 30 39.780 -2.621 0.635
252 HA LEU 30 HA LEU 30 39.827 -4.625 -1.495
253 HB2 LEU 30 HB2 LEU 30 38.208 -2.388 -0.830
254 HB3 LEU 30 HB1 LEU 30 38.939 -2.013 -2.388
255 HG LEU 30 HG LEU 30 37.782 -4.752 -1.949
256 HD11 LEU 30 HD11 LEU 30 36.149 -2.328 -2.761
257 HD12 LEU 30 HD12 LEU 30 36.063 -3.102 -1.179
258 HD13 LEU 30 HD13 LEU 30 35.573 -3.991 -2.621
259 HD21 LEU 30 HD21 LEU 30 37.819 -2.905 -4.354
260 HD22 LEU 30 HD22 LEU 30 37.425 -4.623 -4.340
261 HD23 LEU 30 HD23 LEU 30 39.074 -4.095 -4.009
262 H ALA 31 HN ALA 31 41.388 -1.557 -0.756
263 HA ALA 31 HA ALA 31 43.229 -0.480 -1.719
264 HB1 ALA 31 HB1 ALA 31 44.820 -2.293 -2.853
265 HB2 ALA 31 HB2 ALA 31 43.738 -3.409 -2.021
266 HB3 ALA 31 HB3 ALA 31 44.634 -2.201 -1.102
267 H THR 32 HN THR 32 41.700 0.501 -3.332
268 HA THR 32 HA THR 32 41.243 -0.575 -5.912
269 HB THR 32 HB THR 32 41.600 2.227 -6.198
270 HG1 THR 32 HG1 THR 32 41.601 2.762 -4.149
271 HG21 THR 32 HG21 THR 32 39.773 0.774 -7.118
272 HG22 THR 32 HG22 THR 32 39.166 2.230 -6.330
273 HG23 THR 32 HG23 THR 32 39.085 0.680 -5.496
274 H THR 33 HN THR 33 43.912 1.497 -4.743
275 HA THR 33 HA THR 33 45.606 0.360 -6.905
276 HB THR 33 HB THR 33 46.466 2.550 -7.533
277 HG1 THR 33 HG1 THR 33 45.968 3.325 -5.277
278 HG21 THR 33 HG21 THR 33 44.547 3.434 -8.664
279 HG22 THR 33 HG22 THR 33 43.449 2.782 -7.448
280 HG23 THR 33 HG23 THR 33 44.293 1.693 -8.547
Start of MODEL 2
1 H1 ASP 1 HT1 ASP 1 7.855 -4.057 -2.285
2 H2 ASP 1 HT2 ASP 1 7.174 -2.580 -2.782
3 H3 ASP 1 HT3 ASP 1 6.802 -3.224 -1.253
4 HA ASP 1 HA ASP 1 9.615 -2.900 -1.625
5 HB2 ASP 1 HB2 ASP 1 8.113 -0.323 -1.284
6 HB3 ASP 1 HB1 ASP 1 9.771 -0.579 -1.814
7 H VAL 2 HN VAL 2 10.331 -1.555 0.349
8 HA VAL 2 HA VAL 2 8.388 -1.841 2.612
9 HB VAL 2 HB VAL 2 10.114 -3.161 3.472
10 HG11 VAL 2 HG11 VAL 2 11.439 -2.976 1.335
11 HG12 VAL 2 HG12 VAL 2 12.427 -3.060 2.792
12 HG13 VAL 2 HG13 VAL 2 12.175 -1.513 1.989
13 HG21 VAL 2 HG21 VAL 2 11.593 -0.591 3.964
14 HG22 VAL 2 HG22 VAL 2 11.297 -1.932 5.072
15 HG23 VAL 2 HG23 VAL 2 9.993 -0.817 4.662
16 H ARG 3 HN ARG 3 11.194 -0.210 1.363
17 HA ARG 3 HA ARG 3 9.805 2.402 1.690
18 HB2 ARG 3 HB2 ARG 3 12.225 1.987 2.781
19 HB3 ARG 3 HB1 ARG 3 12.746 2.254 1.120
20 HG2 ARG 3 HG2 ARG 3 12.776 4.391 2.127
21 HG3 ARG 3 HG1 ARG 3 11.307 4.370 1.158
22 HD2 ARG 3 HD2 ARG 3 11.099 5.268 3.566
23 HD3 ARG 3 HD1 ARG 3 9.929 4.049 3.063
24 HE ARG 3 HE ARG 3 12.355 3.039 4.419
25 HH11 ARG 3 HH21 ARG 3 9.022 3.975 4.568
26 HH12 ARG 3 HH22 ARG 3 8.705 3.075 6.009
27 HH21 ARG 3 HH11 ARG 3 11.945 1.884 6.312
28 HH22 ARG 3 HH12 ARG 3 10.366 1.929 7.022
29 H LEU 4 HN LEU 4 9.442 3.359 -0.363
30 HA LEU 4 HA LEU 4 9.108 1.837 -2.585
31 HB2 LEU 4 HB2 LEU 4 10.231 4.630 -2.876
32 HB3 LEU 4 HB1 LEU 4 9.106 3.802 -3.945
33 HG LEU 4 HG LEU 4 7.683 5.213 -2.740
34 HD11 LEU 4 HD11 LEU 4 7.646 2.896 -0.815
35 HD12 LEU 4 HD12 LEU 4 7.173 2.673 -2.499
36 HD13 LEU 4 HD13 LEU 4 6.295 3.808 -1.479
37 HD21 LEU 4 HD21 LEU 4 8.480 6.286 -0.940
38 HD22 LEU 4 HD22 LEU 4 9.810 5.138 -0.808
39 HD23 LEU 4 HD23 LEU 4 8.280 4.816 0.011
40 H ALA 5 HN ALA 5 10.405 0.609 -3.827
41 HA ALA 5 HA ALA 5 13.050 0.066 -3.435
42 HB1 ALA 5 HB1 ALA 5 11.836 0.244 -6.207
43 HB2 ALA 5 HB2 ALA 5 11.571 -1.096 -5.091
44 HB3 ALA 5 HB3 ALA 5 13.190 -0.774 -5.714
45 H LYS 6 HN LYS 6 11.857 2.624 -5.580
46 HA LYS 6 HA LYS 6 14.242 3.627 -6.627
47 HB2 LYS 6 HB2 LYS 6 11.606 4.512 -6.464
48 HB3 LYS 6 HB1 LYS 6 12.516 5.766 -5.624
49 HG2 LYS 6 HG2 LYS 6 13.521 4.724 -8.263
50 HG3 LYS 6 HG1 LYS 6 12.228 5.919 -8.233
51 HD2 LYS 6 HD2 LYS 6 13.863 7.475 -8.092
52 HD3 LYS 6 HD1 LYS 6 14.060 6.953 -6.419
53 HE2 LYS 6 HE2 LYS 6 15.456 5.089 -8.087
54 HE3 LYS 6 HE1 LYS 6 15.928 6.714 -8.579
55 HZ1 LYS 6 HZ1 LYS 6 17.304 5.824 -6.784
56 HZ2 LYS 6 HZ2 LYS 6 15.935 5.725 -5.776
57 HZ3 LYS 6 HZ3 LYS 6 16.490 7.238 -6.327
58 H THR 7 HN THR 7 12.833 4.203 -3.434
59 HA THR 7 HA THR 7 14.944 5.989 -2.551
60 HB THR 7 HB THR 7 13.618 4.546 -0.405
61 HG1 THR 7 HG1 THR 7 12.015 4.130 -1.916
62 HG21 THR 7 HG21 THR 7 13.274 7.384 -1.395
63 HG22 THR 7 HG22 THR 7 14.584 6.851 -0.340
64 HG23 THR 7 HG23 THR 7 12.912 6.779 0.220
65 H LEU 8 HN LEU 8 14.128 2.585 -1.882
66 HA LEU 8 HA LEU 8 16.419 1.883 -0.372
67 HB2 LEU 8 HB2 LEU 8 14.607 0.361 -2.236
68 HB3 LEU 8 HB1 LEU 8 16.020 -0.425 -1.547
69 HG LEU 8 HG LEU 8 13.854 0.951 0.070
70 HD11 LEU 8 HD11 LEU 8 13.880 -1.779 0.651
71 HD12 LEU 8 HD12 LEU 8 14.026 -1.708 -1.105
72 HD13 LEU 8 HD13 LEU 8 12.668 -0.925 -0.302
73 HD21 LEU 8 HD21 LEU 8 16.435 -0.421 0.725
74 HD22 LEU 8 HD22 LEU 8 15.077 -0.636 1.828
75 HD23 LEU 8 HD23 LEU 8 15.688 0.982 1.488
76 H GLY 9 HN GLY 9 15.904 2.002 -3.873
77 HA2 GLY 9 HA2 GLY 9 18.135 0.790 -4.898
78 HA3 GLY 9 HA1 GLY 9 17.509 2.284 -5.584
79 H LEU 10 HN LEU 10 18.100 4.207 -3.826
80 HA LEU 10 HA LEU 10 20.902 4.621 -4.165
81 HB2 LEU 10 HB2 LEU 10 18.686 6.002 -2.729
82 HB3 LEU 10 HB1 LEU 10 20.326 6.382 -2.201
83 HG LEU 10 HG LEU 10 20.956 6.987 -4.487
84 HD11 LEU 10 HD11 LEU 10 19.606 5.443 -5.753
85 HD12 LEU 10 HD12 LEU 10 19.118 7.071 -6.220
86 HD13 LEU 10 HD13 LEU 10 18.119 6.136 -5.108
87 HD21 LEU 10 HD21 LEU 10 18.408 8.237 -3.436
88 HD22 LEU 10 HD22 LEU 10 19.275 8.888 -4.826
89 HD23 LEU 10 HD23 LEU 10 20.060 8.825 -3.248
90 H VAL 11 HN VAL 11 19.076 4.066 -1.134
91 HA VAL 11 HA VAL 11 21.231 3.799 0.618
92 HB VAL 11 HB VAL 11 18.877 1.902 0.734
93 HG11 VAL 11 HG11 VAL 11 19.118 2.276 3.152
94 HG12 VAL 11 HG12 VAL 11 20.404 3.445 2.857
95 HG13 VAL 11 HG13 VAL 11 20.655 1.744 2.469
96 HG21 VAL 11 HG21 VAL 11 18.955 4.892 1.108
97 HG22 VAL 11 HG22 VAL 11 17.824 3.912 2.040
98 HG23 VAL 11 HG23 VAL 11 17.743 3.917 0.279
99 H LEU 12 HN LEU 12 19.728 1.223 -1.336
100 HA LEU 12 HA LEU 12 21.597 -0.829 -0.636
101 HB2 LEU 12 HB2 LEU 12 19.299 -0.733 -2.126
102 HB3 LEU 12 HB1 LEU 12 20.515 -0.873 -3.394
103 HG LEU 12 HG LEU 12 21.497 -2.789 -1.917
104 HD11 LEU 12 HD11 LEU 12 20.069 -2.302 0.054
105 HD12 LEU 12 HD12 LEU 12 19.815 -3.942 -0.541
106 HD13 LEU 12 HD13 LEU 12 18.635 -2.680 -0.901
107 HD21 LEU 12 HD21 LEU 12 18.941 -2.933 -3.534
108 HD22 LEU 12 HD22 LEU 12 19.730 -4.381 -2.912
109 HD23 LEU 12 HD23 LEU 12 20.580 -3.334 -4.047
110 H ALA 13 HN ALA 13 21.422 1.129 -3.627
111 HA ALA 13 HA ALA 13 23.848 0.265 -4.744
112 HB1 ALA 13 HB1 ALA 13 22.132 1.708 -5.877
113 HB2 ALA 13 HB2 ALA 13 23.787 2.273 -6.103
114 HB3 ALA 13 HB3 ALA 13 22.732 3.078 -4.941
115 H VAL 14 HN VAL 14 23.296 2.811 -2.337
116 HA VAL 14 HA VAL 14 26.107 3.631 -2.429
117 HB VAL 14 HB VAL 14 23.868 4.397 -0.528
118 HG11 VAL 14 HG11 VAL 14 26.683 5.430 -0.906
119 HG12 VAL 14 HG12 VAL 14 25.919 4.874 0.584
120 HG13 VAL 14 HG13 VAL 14 25.419 6.398 -0.149
121 HG21 VAL 14 HG21 VAL 14 23.638 6.381 -1.883
122 HG22 VAL 14 HG22 VAL 14 23.587 4.998 -2.976
123 HG23 VAL 14 HG23 VAL 14 25.058 5.961 -2.839
124 H LEU 15 HN LEU 15 24.016 1.931 -0.045
125 HA LEU 15 HA LEU 15 26.165 1.614 1.825
126 HB2 LEU 15 HB2 LEU 15 24.687 0.394 3.120
127 HB3 LEU 15 HB1 LEU 15 23.554 1.287 2.114
128 HG LEU 15 HG LEU 15 23.802 -0.804 0.509
129 HD11 LEU 15 HD11 LEU 15 23.863 -2.724 2.512
130 HD12 LEU 15 HD12 LEU 15 25.151 -1.620 2.992
131 HD13 LEU 15 HD13 LEU 15 25.186 -2.374 1.400
132 HD21 LEU 15 HD21 LEU 15 22.236 -0.777 3.103
133 HD22 LEU 15 HD22 LEU 15 21.917 -1.883 1.766
134 HD23 LEU 15 HD23 LEU 15 21.707 -0.146 1.544
135 H LEU 16 HN LEU 16 25.015 -0.378 -0.875
136 HA LEU 16 HA LEU 16 26.556 -2.704 -0.372
137 HB2 LEU 16 HB2 LEU 16 25.596 -1.378 -2.900
138 HB3 LEU 16 HB1 LEU 16 26.637 -2.798 -2.984
139 HG LEU 16 HG LEU 16 24.113 -2.743 -1.316
140 HD11 LEU 16 HD11 LEU 16 24.507 -3.559 -4.207
141 HD12 LEU 16 HD12 LEU 16 23.381 -2.356 -3.576
142 HD13 LEU 16 HD13 LEU 16 23.124 -4.068 -3.237
143 HD21 LEU 16 HD21 LEU 16 24.393 -5.274 -1.775
144 HD22 LEU 16 HD22 LEU 16 25.529 -4.531 -0.648
145 HD23 LEU 16 HD23 LEU 16 26.023 -4.866 -2.307
146 H ILE 17 HN ILE 17 27.618 0.471 -1.042
147 HA ILE 17 HA ILE 17 30.358 -0.588 -1.594
148 HB ILE 17 HB ILE 17 28.934 0.718 -3.452
149 HG12 ILE 17 HG12 ILE 17 31.853 1.346 -2.953
150 HG13 ILE 17 HG11 ILE 17 31.278 -0.192 -3.595
151 HG21 ILE 17 HG21 ILE 17 30.451 2.992 -2.175
152 HG22 ILE 17 HG22 ILE 17 28.748 2.704 -1.819
153 HG23 ILE 17 HG23 ILE 17 29.256 3.061 -3.468
154 HD11 ILE 17 HD11 ILE 17 31.968 1.352 -5.410
155 HD12 ILE 17 HD12 ILE 17 30.765 2.516 -4.855
156 HD13 ILE 17 HD13 ILE 17 30.249 0.960 -5.504
157 H CYS 18 HN CYS 18 28.511 0.820 0.688
158 HA CYS 18 HA CYS 18 30.853 2.105 1.964
159 HB2 CYS 18 HB2 CYS 18 28.349 3.527 1.114
160 HB3 CYS 18 HB1 CYS 18 29.226 4.074 2.544
161 HG CYS 18 HG CYS 18 30.968 3.729 0.026
162 H TRP 19 HN TRP 19 28.265 0.100 2.166
163 HA TRP 19 HA TRP 19 26.639 0.044 4.150
164 HB2 TRP 19 HB2 TRP 19 28.602 -1.860 5.114
165 HB3 TRP 19 HB1 TRP 19 27.065 -2.160 4.311
166 HD1 TRP 19 HD1 TRP 19 27.311 -3.365 2.099
167 HE1 TRP 19 HE1 TRP 19 29.093 -3.480 0.238
168 HE3 TRP 19 HE3 TRP 19 30.793 -0.165 4.017
169 HZ2 TRP 19 HZ2 TRP 19 31.652 -2.344 -0.363
170 HZ3 TRP 19 HZ3 TRP 19 32.879 0.314 2.777
171 HH2 TRP 19 HH2 TRP 19 33.312 -0.766 0.592
172 H PHE 20 HN PHE 20 29.695 -0.739 5.726
173 HA PHE 20 HA PHE 20 29.998 1.680 7.188
174 HB2 PHE 20 HB2 PHE 20 28.039 -0.244 8.281
175 HB3 PHE 20 HB1 PHE 20 29.249 0.305 9.440
176 HD1 PHE 20 HD1 PHE 20 29.796 3.028 8.916
177 HD2 PHE 20 HD2 PHE 20 26.063 0.955 8.418
178 HE1 PHE 20 HE1 PHE 20 28.570 5.175 9.119
179 HE2 PHE 20 HE2 PHE 20 24.841 3.100 8.622
180 HZ PHE 20 HZ PHE 20 26.094 5.211 8.975
181 HA PRO 21 HA PRO 21 32.680 -1.723 9.258
182 HB2 PRO 21 HB2 PRO 21 32.088 -4.281 7.991
183 HB3 PRO 21 HB1 PRO 21 31.996 -3.843 9.703
184 HG2 PRO 21 HG2 PRO 21 29.825 -4.377 8.141
185 HG3 PRO 21 HG1 PRO 21 29.788 -3.365 9.594
186 HD2 PRO 21 HD2 PRO 21 29.781 -2.539 6.720
187 HD3 PRO 21 HD1 PRO 21 28.986 -1.786 8.114
188 H VAL 22 HN VAL 22 31.935 -2.808 5.934
189 HA VAL 22 HA VAL 22 34.637 -3.446 5.268
190 HB VAL 22 HB VAL 22 32.572 -2.548 3.253
191 HG11 VAL 22 HG11 VAL 22 35.086 -3.391 2.851
192 HG12 VAL 22 HG12 VAL 22 33.776 -3.810 1.748
193 HG13 VAL 22 HG13 VAL 22 34.300 -4.966 2.972
194 HG21 VAL 22 HG21 VAL 22 31.215 -4.008 4.450
195 HG22 VAL 22 HG22 VAL 22 32.579 -4.966 5.031
196 HG23 VAL 22 HG23 VAL 22 32.024 -5.139 3.366
197 H LEU 23 HN LEU 23 33.289 -0.425 5.883
198 HA LEU 23 HA LEU 23 34.450 1.271 3.933
199 HB2 LEU 23 HB2 LEU 23 33.931 1.640 6.890
200 HB3 LEU 23 HB1 LEU 23 34.652 2.917 5.912
201 HG LEU 23 HG LEU 23 32.031 1.564 5.175
202 HD11 LEU 23 HD11 LEU 23 32.057 2.879 7.404
203 HD12 LEU 23 HD12 LEU 23 30.852 3.340 6.203
204 HD13 LEU 23 HD13 LEU 23 32.310 4.310 6.405
205 HD21 LEU 23 HD21 LEU 23 32.974 2.604 3.260
206 HD22 LEU 23 HD22 LEU 23 33.575 3.974 4.196
207 HD23 LEU 23 HD23 LEU 23 31.846 3.800 3.894
208 H ALA 24 HN ALA 24 35.854 0.411 7.118
209 HA ALA 24 HA ALA 24 38.472 1.389 6.564
210 HB1 ALA 24 HB1 ALA 24 37.690 0.705 8.833
211 HB2 ALA 24 HB2 ALA 24 39.212 -0.072 8.396
212 HB3 ALA 24 HB3 ALA 24 37.701 -0.979 8.308
213 H LEU 25 HN LEU 25 37.101 -1.888 6.198
214 HA LEU 25 HA LEU 25 39.391 -3.135 5.122
215 HB2 LEU 25 HB2 LEU 25 36.446 -3.607 4.823
216 HB3 LEU 25 HB1 LEU 25 37.557 -4.490 3.781
217 HG LEU 25 HG LEU 25 38.808 -5.205 5.857
218 HD11 LEU 25 HD11 LEU 25 37.493 -5.033 7.995
219 HD12 LEU 25 HD12 LEU 25 36.390 -3.931 7.174
220 HD13 LEU 25 HD13 LEU 25 38.081 -3.482 7.401
221 HD21 LEU 25 HD21 LEU 25 35.873 -5.979 5.796
222 HD22 LEU 25 HD22 LEU 25 37.201 -6.942 6.446
223 HD23 LEU 25 HD23 LEU 25 37.098 -6.636 4.712
224 H MET 26 HN MET 26 36.832 -1.273 3.522
225 HA MET 26 HA MET 26 37.880 -1.593 0.865
226 HB2 MET 26 HB2 MET 26 35.603 -0.869 1.115
227 HB3 MET 26 HB1 MET 26 36.081 0.492 2.127
228 HG2 MET 26 HG2 MET 26 37.258 0.299 -0.617
229 HG3 MET 26 HG1 MET 26 35.581 0.816 -0.462
230 HE1 MET 26 HE1 MET 26 37.251 4.215 -1.016
231 HE2 MET 26 HE2 MET 26 36.002 3.069 -1.496
232 HE3 MET 26 HE3 MET 26 37.698 2.677 -1.766
233 H ALA 27 HN ALA 27 38.123 1.063 3.221
234 HA ALA 27 HA ALA 27 39.863 2.651 1.602
235 HB1 ALA 27 HB1 ALA 27 39.877 2.747 4.612
236 HB2 ALA 27 HB2 ALA 27 38.466 3.295 3.706
237 HB3 ALA 27 HB3 ALA 27 40.027 4.076 3.466
238 H HIS 28 HN HIS 28 40.472 0.078 3.918
239 HA HIS 28 HA HIS 28 43.410 0.575 3.619
240 HB2 HIS 28 HB2 HIS 28 42.360 0.666 5.927
241 HB3 HIS 28 HB1 HIS 28 42.065 -1.067 5.769
242 HD1 HIS 28 HD1 HIS 28 44.879 -1.383 4.079
243 HD2 HIS 28 HD2 HIS 28 44.353 0.110 7.951
244 HE1 HIS 28 HE1 HIS 28 47.111 -1.637 5.269
245 HE2 HIS 28 HE2 HIS 28 46.796 -0.740 7.625
246 H SER 29 HN SER 29 41.100 -2.156 3.919
247 HA SER 29 HA SER 29 43.107 -4.093 3.162
248 HB2 SER 29 HB2 SER 29 40.434 -4.171 4.112
249 HB3 SER 29 HB1 SER 29 40.441 -5.050 2.594
250 HG SER 29 HG SER 29 41.847 -5.526 4.995
251 H LEU 30 HN LEU 30 40.284 -2.760 1.396
252 HA LEU 30 HA LEU 30 41.067 -3.891 -1.147
253 HB2 LEU 30 HB2 LEU 30 38.800 -2.743 -0.350
254 HB3 LEU 30 HB1 LEU 30 39.574 -1.296 -0.996
255 HG LEU 30 HG LEU 30 40.072 -3.015 -3.028
256 HD11 LEU 30 HD11 LEU 30 38.846 -4.853 -1.891
257 HD12 LEU 30 HD12 LEU 30 38.093 -4.400 -3.420
258 HD13 LEU 30 HD13 LEU 30 37.389 -3.860 -1.896
259 HD21 LEU 30 HD21 LEU 30 38.999 -0.812 -3.244
260 HD22 LEU 30 HD22 LEU 30 37.499 -1.460 -2.577
261 HD23 LEU 30 HD23 LEU 30 38.083 -2.021 -4.144
262 H ALA 31 HN ALA 31 41.508 -0.687 0.350
263 HA ALA 31 HA ALA 31 42.905 1.109 -0.325
264 HB1 ALA 31 HB1 ALA 31 44.568 -1.374 -0.056
265 HB2 ALA 31 HB2 ALA 31 44.512 0.046 0.988
266 HB3 ALA 31 HB3 ALA 31 45.338 0.126 -0.568
267 H THR 32 HN THR 32 41.686 1.193 -2.465
268 HA THR 32 HA THR 32 42.568 -0.039 -4.836
269 HB THR 32 HB THR 32 40.502 1.273 -4.727
270 HG1 THR 32 HG1 THR 32 41.029 1.296 -6.775
271 HG21 THR 32 HG21 THR 32 42.115 3.811 -4.701
272 HG22 THR 32 HG22 THR 32 41.650 3.033 -3.189
273 HG23 THR 32 HG23 THR 32 40.412 3.581 -4.319
274 H THR 33 HN THR 33 43.724 2.977 -3.318
275 HA THR 33 HA THR 33 46.337 2.547 -4.593
276 HB THR 33 HB THR 33 46.160 5.221 -5.049
277 HG1 THR 33 HG1 THR 33 43.851 4.972 -4.479
278 HG21 THR 33 HG21 THR 33 45.230 3.102 -7.001
279 HG22 THR 33 HG22 THR 33 46.918 3.414 -6.603
280 HG23 THR 33 HG23 THR 33 45.957 4.658 -7.400
Start of MODEL 3
1 H1 ASP 1 HT1 ASP 1 8.001 -1.160 -0.658
2 H2 ASP 1 HT2 ASP 1 7.828 0.246 0.278
3 H3 ASP 1 HT3 ASP 1 6.974 -1.164 0.684
4 HA ASP 1 HA ASP 1 8.996 -2.306 1.237
5 HB2 ASP 1 HB2 ASP 1 11.128 -1.000 1.226
6 HB3 ASP 1 HB1 ASP 1 10.466 -1.239 -0.390
7 H VAL 2 HN VAL 2 10.489 0.429 2.422
8 HA VAL 2 HA VAL 2 8.658 0.549 4.791
9 HB VAL 2 HB VAL 2 11.517 1.173 5.255
10 HG11 VAL 2 HG11 VAL 2 9.776 1.051 7.027
11 HG12 VAL 2 HG12 VAL 2 11.080 -0.105 7.298
12 HG13 VAL 2 HG13 VAL 2 9.535 -0.653 6.647
13 HG21 VAL 2 HG21 VAL 2 10.584 -1.628 4.543
14 HG22 VAL 2 HG22 VAL 2 12.075 -1.292 5.421
15 HG23 VAL 2 HG23 VAL 2 11.877 -0.711 3.769
16 H ARG 3 HN ARG 3 10.560 2.198 2.430
17 HA ARG 3 HA ARG 3 9.494 4.807 3.411
18 HB2 ARG 3 HB2 ARG 3 11.786 5.728 2.429
19 HB3 ARG 3 HB1 ARG 3 11.709 5.162 4.086
20 HG2 ARG 3 HG2 ARG 3 12.274 2.833 2.700
21 HG3 ARG 3 HG1 ARG 3 13.177 4.049 1.801
22 HD2 ARG 3 HD2 ARG 3 14.650 3.265 3.520
23 HD3 ARG 3 HD1 ARG 3 14.098 4.851 4.042
24 HE ARG 3 HE ARG 3 13.221 2.244 5.183
25 HH11 ARG 3 HH21 ARG 3 13.240 5.718 5.177
26 HH12 ARG 3 HH22 ARG 3 12.496 5.850 6.732
27 HH21 ARG 3 HH11 ARG 3 12.257 2.415 7.202
28 HH22 ARG 3 HH12 ARG 3 11.939 3.973 7.883
29 H LEU 4 HN LEU 4 11.548 3.564 0.827
30 HA LEU 4 HA LEU 4 9.520 3.465 -1.140
31 HB2 LEU 4 HB2 LEU 4 10.278 6.096 -0.748
32 HB3 LEU 4 HB1 LEU 4 11.348 5.593 -2.054
33 HG LEU 4 HG LEU 4 9.366 6.419 -3.116
34 HD11 LEU 4 HD11 LEU 4 10.284 4.083 -3.798
35 HD12 LEU 4 HD12 LEU 4 8.693 4.554 -4.392
36 HD13 LEU 4 HD13 LEU 4 8.829 3.447 -3.026
37 HD21 LEU 4 HD21 LEU 4 7.134 5.805 -2.476
38 HD22 LEU 4 HD22 LEU 4 7.978 6.239 -0.990
39 HD23 LEU 4 HD23 LEU 4 7.725 4.542 -1.397
40 H ALA 5 HN ALA 5 10.324 1.931 -2.500
41 HA ALA 5 HA ALA 5 12.718 0.633 -2.192
42 HB1 ALA 5 HB1 ALA 5 11.215 1.098 -4.786
43 HB2 ALA 5 HB2 ALA 5 11.048 -0.273 -3.687
44 HB3 ALA 5 HB3 ALA 5 12.534 -0.062 -4.615
45 H LYS 6 HN LYS 6 12.232 3.650 -3.907
46 HA LYS 6 HA LYS 6 14.821 3.706 -5.178
47 HB2 LYS 6 HB2 LYS 6 12.537 5.513 -4.890
48 HB3 LYS 6 HB1 LYS 6 14.075 6.368 -4.773
49 HG2 LYS 6 HG2 LYS 6 13.341 4.440 -7.000
50 HG3 LYS 6 HG1 LYS 6 13.247 6.196 -7.124
51 HD2 LYS 6 HD2 LYS 6 15.839 5.070 -6.171
52 HD3 LYS 6 HD1 LYS 6 15.435 4.802 -7.866
53 HE2 LYS 6 HE2 LYS 6 15.145 7.548 -6.651
54 HE3 LYS 6 HE1 LYS 6 16.717 6.987 -7.230
55 HZ1 LYS 6 HZ1 LYS 6 14.339 6.722 -8.948
56 HZ2 LYS 6 HZ2 LYS 6 15.973 6.840 -9.384
57 HZ3 LYS 6 HZ3 LYS 6 15.139 8.213 -8.835
58 H THR 7 HN THR 7 13.547 5.356 -2.255
59 HA THR 7 HA THR 7 15.968 6.504 -1.389
60 HB THR 7 HB THR 7 14.488 5.439 0.859
61 HG1 THR 7 HG1 THR 7 12.773 5.168 -0.521
62 HG21 THR 7 HG21 THR 7 15.773 7.550 0.811
63 HG22 THR 7 HG22 THR 7 14.101 7.818 1.298
64 HG23 THR 7 HG23 THR 7 14.617 8.220 -0.340
65 H LEU 8 HN LEU 8 14.602 3.309 -0.632
66 HA LEU 8 HA LEU 8 16.922 2.357 0.789
67 HB2 LEU 8 HB2 LEU 8 14.607 0.997 -0.597
68 HB3 LEU 8 HB1 LEU 8 15.926 0.070 0.109
69 HG LEU 8 HG LEU 8 14.322 2.132 1.640
70 HD11 LEU 8 HD11 LEU 8 13.233 -0.167 0.770
71 HD12 LEU 8 HD12 LEU 8 12.868 0.506 2.357
72 HD13 LEU 8 HD13 LEU 8 14.062 -0.784 2.201
73 HD21 LEU 8 HD21 LEU 8 16.493 0.158 2.329
74 HD22 LEU 8 HD22 LEU 8 15.344 0.682 3.559
75 HD23 LEU 8 HD23 LEU 8 16.375 1.863 2.758
76 H GLY 9 HN GLY 9 15.795 1.920 -2.572
77 HA2 GLY 9 HA2 GLY 9 17.885 0.383 -3.597
78 HA3 GLY 9 HA1 GLY 9 17.043 1.616 -4.534
79 H LEU 10 HN LEU 10 17.774 3.938 -3.257
80 HA LEU 10 HA LEU 10 20.465 4.365 -4.204
81 HB2 LEU 10 HB2 LEU 10 18.530 5.991 -2.561
82 HB3 LEU 10 HB1 LEU 10 20.195 6.532 -2.776
83 HG LEU 10 HG LEU 10 18.408 5.776 -5.105
84 HD11 LEU 10 HD11 LEU 10 18.202 8.272 -5.427
85 HD12 LEU 10 HD12 LEU 10 18.882 8.475 -3.811
86 HD13 LEU 10 HD13 LEU 10 17.338 7.648 -4.020
87 HD21 LEU 10 HD21 LEU 10 21.191 6.531 -4.776
88 HD22 LEU 10 HD22 LEU 10 20.352 7.706 -5.788
89 HD23 LEU 10 HD23 LEU 10 20.351 6.002 -6.233
90 H VAL 11 HN VAL 11 19.138 4.388 -0.868
91 HA VAL 11 HA VAL 11 21.579 4.537 0.519
92 HB VAL 11 HB VAL 11 19.140 2.883 1.269
93 HG11 VAL 11 HG11 VAL 11 21.504 3.918 2.855
94 HG12 VAL 11 HG12 VAL 11 20.965 2.246 2.689
95 HG13 VAL 11 HG13 VAL 11 19.999 3.398 3.616
96 HG21 VAL 11 HG21 VAL 11 19.100 5.532 0.777
97 HG22 VAL 11 HG22 VAL 11 19.703 5.573 2.434
98 HG23 VAL 11 HG23 VAL 11 18.156 4.805 2.076
99 H LEU 12 HN LEU 12 19.884 1.632 -0.688
100 HA LEU 12 HA LEU 12 21.893 -0.237 0.153
101 HB2 LEU 12 HB2 LEU 12 19.613 -0.248 -1.768
102 HB3 LEU 12 HB1 LEU 12 20.860 -1.470 -2.011
103 HG LEU 12 HG LEU 12 20.618 -2.165 0.364
104 HD11 LEU 12 HD11 LEU 12 19.810 0.024 1.225
105 HD12 LEU 12 HD12 LEU 12 18.750 -1.306 1.687
106 HD13 LEU 12 HD13 LEU 12 18.286 -0.227 0.373
107 HD21 LEU 12 HD21 LEU 12 18.322 -3.149 0.126
108 HD22 LEU 12 HD22 LEU 12 19.323 -3.364 -1.310
109 HD23 LEU 12 HD23 LEU 12 18.069 -2.123 -1.285
110 H ALA 13 HN ALA 13 21.328 1.322 -3.031
111 HA ALA 13 HA ALA 13 23.613 0.272 -4.343
112 HB1 ALA 13 HB1 ALA 13 21.927 1.519 -5.589
113 HB2 ALA 13 HB2 ALA 13 23.488 2.320 -5.781
114 HB3 ALA 13 HB3 ALA 13 22.286 2.981 -4.670
115 H VAL 14 HN VAL 14 23.278 3.022 -2.155
116 HA VAL 14 HA VAL 14 26.069 3.833 -2.481
117 HB VAL 14 HB VAL 14 24.056 4.590 -0.334
118 HG11 VAL 14 HG11 VAL 14 25.552 6.543 -0.019
119 HG12 VAL 14 HG12 VAL 14 26.665 5.873 -1.211
120 HG13 VAL 14 HG13 VAL 14 26.391 5.028 0.313
121 HG21 VAL 14 HG21 VAL 14 23.328 6.319 -1.695
122 HG22 VAL 14 HG22 VAL 14 23.673 5.099 -2.922
123 HG23 VAL 14 HG23 VAL 14 24.840 6.382 -2.602
124 H LEU 15 HN LEU 15 24.147 2.170 0.049
125 HA LEU 15 HA LEU 15 26.340 1.662 1.799
126 HB2 LEU 15 HB2 LEU 15 24.475 1.009 2.919
127 HB3 LEU 15 HB1 LEU 15 23.604 0.599 1.445
128 HG LEU 15 HG LEU 15 25.848 -1.211 2.150
129 HD11 LEU 15 HD11 LEU 15 24.699 -0.605 4.355
130 HD12 LEU 15 HD12 LEU 15 24.722 -2.320 3.940
131 HD13 LEU 15 HD13 LEU 15 23.253 -1.373 3.694
132 HD21 LEU 15 HD21 LEU 15 24.341 -2.877 1.303
133 HD22 LEU 15 HD22 LEU 15 24.168 -1.477 0.246
134 HD23 LEU 15 HD23 LEU 15 22.955 -1.802 1.483
135 H LEU 16 HN LEU 16 25.140 -0.087 -1.061
136 HA LEU 16 HA LEU 16 26.802 -2.361 -0.957
137 HB2 LEU 16 HB2 LEU 16 25.709 -0.704 -3.214
138 HB3 LEU 16 HB1 LEU 16 26.855 -1.996 -3.570
139 HG LEU 16 HG LEU 16 24.308 -2.361 -1.960
140 HD11 LEU 16 HD11 LEU 16 23.868 -1.819 -4.345
141 HD12 LEU 16 HD12 LEU 16 23.423 -3.478 -3.951
142 HD13 LEU 16 HD13 LEU 16 24.919 -3.150 -4.823
143 HD21 LEU 16 HD21 LEU 16 25.591 -4.158 -1.296
144 HD22 LEU 16 HD22 LEU 16 26.590 -4.120 -2.751
145 HD23 LEU 16 HD23 LEU 16 24.973 -4.823 -2.808
146 H ILE 17 HN ILE 17 27.686 0.942 -1.227
147 HA ILE 17 HA ILE 17 30.508 0.095 -1.676
148 HB ILE 17 HB ILE 17 29.410 1.298 -3.663
149 HG12 ILE 17 HG12 ILE 17 31.416 2.823 -3.959
150 HG13 ILE 17 HG11 ILE 17 31.893 2.397 -2.317
151 HG21 ILE 17 HG21 ILE 17 29.474 3.840 -3.371
152 HG22 ILE 17 HG22 ILE 17 29.460 3.534 -1.635
153 HG23 ILE 17 HG23 ILE 17 28.115 2.990 -2.638
154 HD11 ILE 17 HD11 ILE 17 32.656 1.004 -4.537
155 HD12 ILE 17 HD12 ILE 17 31.230 0.093 -4.043
156 HD13 ILE 17 HD13 ILE 17 32.572 0.311 -2.918
157 H CYS 18 HN CYS 18 28.706 0.743 0.715
158 HA CYS 18 HA CYS 18 30.697 2.398 2.126
159 HB2 CYS 18 HB2 CYS 18 28.009 3.381 1.347
160 HB3 CYS 18 HB1 CYS 18 28.494 3.700 3.011
161 HG CYS 18 HG CYS 18 30.171 4.649 0.540
162 H TRP 19 HN TRP 19 28.011 0.233 2.069
163 HA TRP 19 HA TRP 19 26.756 -0.486 4.117
164 HB2 TRP 19 HB2 TRP 19 28.740 -2.499 4.461
165 HB3 TRP 19 HB1 TRP 19 27.263 -2.582 3.516
166 HD1 TRP 19 HD1 TRP 19 27.725 -3.225 1.097
167 HE1 TRP 19 HE1 TRP 19 29.592 -2.747 -0.625
168 HE3 TRP 19 HE3 TRP 19 30.841 -0.391 3.955
169 HZ2 TRP 19 HZ2 TRP 19 32.079 -1.356 -0.756
170 HZ3 TRP 19 HZ3 TRP 19 32.950 0.511 3.010
171 HH2 TRP 19 HH2 TRP 19 33.571 0.033 0.659
172 H PHE 20 HN PHE 20 29.684 -1.750 5.444
173 HA PHE 20 HA PHE 20 29.936 0.422 7.405
174 HB2 PHE 20 HB2 PHE 20 29.529 -2.255 8.671
175 HB3 PHE 20 HB1 PHE 20 29.171 -0.650 9.290
176 HD1 PHE 20 HD1 PHE 20 27.148 0.593 8.460
177 HD2 PHE 20 HD2 PHE 20 27.857 -3.534 7.482
178 HE1 PHE 20 HE1 PHE 20 24.770 0.337 7.806
179 HE2 PHE 20 HE2 PHE 20 25.484 -3.785 6.826
180 HZ PHE 20 HZ PHE 20 23.936 -1.853 6.989
181 HA PRO 21 HA PRO 21 33.417 -2.664 8.245
182 HB2 PRO 21 HB2 PRO 21 33.203 -5.144 6.844
183 HB3 PRO 21 HB1 PRO 21 32.900 -4.848 8.560
184 HG2 PRO 21 HG2 PRO 21 30.992 -5.561 6.668
185 HG3 PRO 21 HG1 PRO 21 30.669 -4.891 8.274
186 HD2 PRO 21 HD2 PRO 21 30.649 -3.508 5.620
187 HD3 PRO 21 HD1 PRO 21 29.662 -3.199 7.061
188 H VAL 22 HN VAL 22 32.439 -3.360 4.887
189 HA VAL 22 HA VAL 22 35.041 -3.701 3.843
190 HB VAL 22 HB VAL 22 32.686 -2.537 2.327
191 HG11 VAL 22 HG11 VAL 22 35.060 -4.250 1.521
192 HG12 VAL 22 HG12 VAL 22 34.783 -2.568 1.073
193 HG13 VAL 22 HG13 VAL 22 33.721 -3.830 0.451
194 HG21 VAL 22 HG21 VAL 22 33.076 -5.172 3.598
195 HG22 VAL 22 HG22 VAL 22 32.665 -5.260 1.886
196 HG23 VAL 22 HG23 VAL 22 31.596 -4.416 3.006
197 H LEU 23 HN LEU 23 33.721 -0.889 5.166
198 HA LEU 23 HA LEU 23 35.044 1.054 3.466
199 HB2 LEU 23 HB2 LEU 23 34.518 2.657 5.105
200 HB3 LEU 23 HB1 LEU 23 33.224 1.478 5.295
201 HG LEU 23 HG LEU 23 34.832 0.378 7.055
202 HD11 LEU 23 HD11 LEU 23 36.744 1.485 7.512
203 HD12 LEU 23 HD12 LEU 23 35.821 2.925 7.929
204 HD13 LEU 23 HD13 LEU 23 36.353 2.671 6.267
205 HD21 LEU 23 HD21 LEU 23 33.521 1.350 8.663
206 HD22 LEU 23 HD22 LEU 23 32.649 1.963 7.259
207 HD23 LEU 23 HD23 LEU 23 33.829 2.983 8.079
208 H ALA 24 HN ALA 24 35.945 -0.945 6.214
209 HA ALA 24 HA ALA 24 38.622 0.149 6.531
210 HB1 ALA 24 HB1 ALA 24 37.217 -2.373 7.398
211 HB2 ALA 24 HB2 ALA 24 37.926 -1.102 8.395
212 HB3 ALA 24 HB3 ALA 24 38.970 -2.247 7.555
213 H LEU 25 HN LEU 25 37.183 -2.595 4.808
214 HA LEU 25 HA LEU 25 39.582 -3.515 3.522
215 HB2 LEU 25 HB2 LEU 25 36.641 -3.698 2.892
216 HB3 LEU 25 HB1 LEU 25 37.828 -4.273 1.732
217 HG LEU 25 HG LEU 25 38.781 -5.443 3.991
218 HD11 LEU 25 HD11 LEU 25 35.779 -5.622 4.288
219 HD12 LEU 25 HD12 LEU 25 36.752 -4.482 5.219
220 HD13 LEU 25 HD13 LEU 25 37.019 -6.216 5.394
221 HD21 LEU 25 HD21 LEU 25 37.728 -7.498 3.184
222 HD22 LEU 25 HD22 LEU 25 38.244 -6.525 1.807
223 HD23 LEU 25 HD23 LEU 25 36.544 -6.562 2.271
224 H MET 26 HN MET 26 36.970 -1.382 2.406
225 HA MET 26 HA MET 26 38.114 -0.573 -0.040
226 HB2 MET 26 HB2 MET 26 35.810 -0.056 0.630
227 HB3 MET 26 HB1 MET 26 36.401 1.016 1.898
228 HG2 MET 26 HG2 MET 26 37.712 1.942 -0.366
229 HG3 MET 26 HG1 MET 26 36.121 1.500 -0.984
230 HE1 MET 26 HE1 MET 26 37.206 4.621 2.176
231 HE2 MET 26 HE2 MET 26 38.264 3.511 1.309
232 HE3 MET 26 HE3 MET 26 37.262 2.915 2.628
233 H ALA 27 HN ALA 27 38.623 0.659 3.250
234 HA ALA 27 HA ALA 27 40.531 2.684 2.289
235 HB1 ALA 27 HB1 ALA 27 39.141 3.198 4.247
236 HB2 ALA 27 HB2 ALA 27 40.842 3.156 4.713
237 HB3 ALA 27 HB3 ALA 27 39.790 1.792 5.094
238 H HIS 28 HN HIS 28 40.853 -0.470 2.202
239 HA HIS 28 HA HIS 28 43.738 -0.395 2.677
240 HB2 HIS 28 HB2 HIS 28 42.287 -0.974 4.912
241 HB3 HIS 28 HB1 HIS 28 42.471 -2.588 4.229
242 HD1 HIS 28 HD1 HIS 28 45.091 -3.179 3.510
243 HD2 HIS 28 HD2 HIS 28 44.513 -0.147 6.326
244 HE1 HIS 28 HE1 HIS 28 47.304 -2.874 4.714
245 HE2 HIS 28 HE2 HIS 28 46.962 -1.031 6.427
246 H SER 29 HN SER 29 41.292 -3.001 2.738
247 HA SER 29 HA SER 29 42.647 -4.788 1.025
248 HB2 SER 29 HB2 SER 29 39.656 -4.366 1.240
249 HB3 SER 29 HB1 SER 29 40.452 -5.823 0.670
250 HG SER 29 HG SER 29 40.388 -6.361 2.707
251 H LEU 30 HN LEU 30 40.546 -2.049 0.289
252 HA LEU 30 HA LEU 30 41.131 -2.457 -2.618
253 HB2 LEU 30 HB2 LEU 30 38.689 -2.004 -1.376
254 HB3 LEU 30 HB1 LEU 30 39.141 -0.399 -1.951
255 HG LEU 30 HG LEU 30 39.228 -2.873 -3.705
256 HD11 LEU 30 HD11 LEU 30 37.069 -0.750 -3.544
257 HD12 LEU 30 HD12 LEU 30 36.912 -2.392 -2.924
258 HD13 LEU 30 HD13 LEU 30 37.107 -2.119 -4.655
259 HD21 LEU 30 HD21 LEU 30 40.643 -1.073 -4.510
260 HD22 LEU 30 HD22 LEU 30 39.366 0.112 -4.239
261 HD23 LEU 30 HD23 LEU 30 39.187 -1.101 -5.504
262 H ALA 31 HN ALA 31 43.119 -1.405 -0.903
263 HA ALA 31 HA ALA 31 43.138 1.463 -0.817
264 HB1 ALA 31 HB1 ALA 31 44.714 0.291 0.563
265 HB2 ALA 31 HB2 ALA 31 45.666 1.137 -0.655
266 HB3 ALA 31 HB3 ALA 31 45.366 -0.592 -0.816
267 H THR 32 HN THR 32 42.178 1.601 -3.114
268 HA THR 32 HA THR 32 43.914 1.024 -5.357
269 HB THR 32 HB THR 32 41.662 1.076 -5.989
270 HG1 THR 32 HG1 THR 32 42.394 3.783 -6.455
271 HG21 THR 32 HG21 THR 32 40.588 1.910 -4.068
272 HG22 THR 32 HG22 THR 32 40.200 3.104 -5.306
273 HG23 THR 32 HG23 THR 32 41.469 3.437 -4.127
274 H THR 33 HN THR 33 44.369 2.980 -6.922
275 HA THR 33 HA THR 33 46.192 4.786 -5.592
276 HB THR 33 HB THR 33 45.971 5.899 -8.007
277 HG1 THR 33 HG1 THR 33 44.115 4.706 -8.551
278 HG21 THR 33 HG21 THR 33 47.606 4.253 -8.830
279 HG22 THR 33 HG22 THR 33 47.137 3.134 -7.547
280 HG23 THR 33 HG23 THR 33 47.931 4.657 -7.145
Start of MODEL 4
1 H1 ASP 1 HT1 ASP 1 4.929 0.547 -3.399
2 H2 ASP 1 HT2 ASP 1 4.182 1.524 -2.222
3 H3 ASP 1 HT3 ASP 1 4.318 -0.145 -1.974
4 HA ASP 1 HA ASP 1 6.458 -0.034 -1.316
5 HB2 ASP 1 HB2 ASP 1 6.786 2.437 -3.040
6 HB3 ASP 1 HB1 ASP 1 8.076 1.534 -2.250
7 H VAL 2 HN VAL 2 7.038 0.831 0.659
8 HA VAL 2 HA VAL 2 5.435 2.876 1.899
9 HB VAL 2 HB VAL 2 6.540 1.255 3.305
10 HG11 VAL 2 HG11 VAL 2 8.450 0.399 2.429
11 HG12 VAL 2 HG12 VAL 2 9.245 1.710 3.298
12 HG13 VAL 2 HG13 VAL 2 8.852 1.894 1.592
13 HG21 VAL 2 HG21 VAL 2 7.733 4.028 3.533
14 HG22 VAL 2 HG22 VAL 2 8.033 2.773 4.733
15 HG23 VAL 2 HG23 VAL 2 6.390 3.341 4.444
16 H ARG 3 HN ARG 3 8.476 2.878 0.138
17 HA ARG 3 HA ARG 3 8.254 5.764 -0.307
18 HB2 ARG 3 HB2 ARG 3 10.839 5.860 0.426
19 HB3 ARG 3 HB1 ARG 3 9.540 6.184 1.572
20 HG2 ARG 3 HG2 ARG 3 9.594 3.821 2.303
21 HG3 ARG 3 HG1 ARG 3 10.904 3.501 1.166
22 HD2 ARG 3 HD2 ARG 3 11.374 5.803 2.954
23 HD3 ARG 3 HD1 ARG 3 11.263 4.252 3.786
24 HE ARG 3 HE ARG 3 12.991 3.728 1.691
25 HH11 ARG 3 HH21 ARG 3 12.767 6.082 4.215
26 HH12 ARG 3 HH22 ARG 3 14.477 6.324 4.324
27 HH21 ARG 3 HH11 ARG 3 15.231 4.034 1.823
28 HH22 ARG 3 HH12 ARG 3 15.869 5.160 2.979
29 H LEU 4 HN LEU 4 8.053 3.620 -2.060
30 HA LEU 4 HA LEU 4 8.829 2.849 -4.112
31 HB2 LEU 4 HB2 LEU 4 10.583 5.275 -3.709
32 HB3 LEU 4 HB1 LEU 4 10.816 4.207 -5.090
33 HG LEU 4 HG LEU 4 8.293 4.480 -5.523
34 HD11 LEU 4 HD11 LEU 4 8.793 6.646 -3.473
35 HD12 LEU 4 HD12 LEU 4 7.511 5.434 -3.493
36 HD13 LEU 4 HD13 LEU 4 7.486 6.761 -4.651
37 HD21 LEU 4 HD21 LEU 4 8.645 6.567 -6.746
38 HD22 LEU 4 HD22 LEU 4 10.087 5.562 -6.868
39 HD23 LEU 4 HD23 LEU 4 10.060 6.935 -5.761
40 H ALA 5 HN ALA 5 9.813 0.903 -4.142
41 HA ALA 5 HA ALA 5 11.675 -0.146 -2.391
42 HB1 ALA 5 HB1 ALA 5 12.477 -1.588 -4.296
43 HB2 ALA 5 HB2 ALA 5 11.537 -0.577 -5.395
44 HB3 ALA 5 HB3 ALA 5 10.719 -1.527 -4.154
45 H LYS 6 HN LYS 6 12.275 1.925 -5.140
46 HA LYS 6 HA LYS 6 14.984 2.149 -5.449
47 HB2 LYS 6 HB2 LYS 6 13.093 3.641 -6.372
48 HB3 LYS 6 HB1 LYS 6 13.273 4.579 -4.894
49 HG2 LYS 6 HG2 LYS 6 14.632 5.601 -6.629
50 HG3 LYS 6 HG1 LYS 6 15.696 4.888 -5.419
51 HD2 LYS 6 HD2 LYS 6 16.156 2.989 -6.821
52 HD3 LYS 6 HD1 LYS 6 14.883 3.443 -7.959
53 HE2 LYS 6 HE2 LYS 6 17.188 5.315 -7.382
54 HE3 LYS 6 HE1 LYS 6 17.347 4.029 -8.579
55 HZ1 LYS 6 HZ1 LYS 6 16.024 6.522 -8.795
56 HZ2 LYS 6 HZ2 LYS 6 14.926 5.258 -9.095
57 HZ3 LYS 6 HZ3 LYS 6 16.355 5.381 -10.002
58 H THR 7 HN THR 7 13.282 4.162 -3.041
59 HA THR 7 HA THR 7 15.677 4.864 -1.652
60 HB THR 7 HB THR 7 13.108 4.909 -0.153
61 HG1 THR 7 HG1 THR 7 12.061 5.552 -1.849
62 HG21 THR 7 HG21 THR 7 15.088 7.077 -0.915
63 HG22 THR 7 HG22 THR 7 15.189 6.109 0.554
64 HG23 THR 7 HG23 THR 7 13.822 7.193 0.305
65 H LEU 8 HN LEU 8 14.423 1.892 -1.872
66 HA LEU 8 HA LEU 8 15.374 1.126 0.861
67 HB2 LEU 8 HB2 LEU 8 13.241 -0.133 -0.890
68 HB3 LEU 8 HB1 LEU 8 13.953 -0.964 0.489
69 HG LEU 8 HG LEU 8 12.468 1.686 0.585
70 HD11 LEU 8 HD11 LEU 8 10.867 0.330 1.977
71 HD12 LEU 8 HD12 LEU 8 11.776 -1.111 1.523
72 HD13 LEU 8 HD13 LEU 8 10.940 -0.171 0.288
73 HD21 LEU 8 HD21 LEU 8 14.019 0.102 2.633
74 HD22 LEU 8 HD22 LEU 8 12.662 1.110 3.135
75 HD23 LEU 8 HD23 LEU 8 14.049 1.839 2.327
76 H GLY 9 HN GLY 9 15.210 0.358 -2.567
77 HA2 GLY 9 HA2 GLY 9 17.073 -1.833 -2.524
78 HA3 GLY 9 HA1 GLY 9 16.630 -0.888 -3.939
79 H LEU 10 HN LEU 10 17.358 1.676 -3.018
80 HA LEU 10 HA LEU 10 20.117 1.798 -3.660
81 HB2 LEU 10 HB2 LEU 10 18.101 3.658 -2.547
82 HB3 LEU 10 HB1 LEU 10 19.774 4.040 -2.132
83 HG LEU 10 HG LEU 10 20.412 4.074 -4.473
84 HD11 LEU 10 HD11 LEU 10 18.563 3.792 -6.218
85 HD12 LEU 10 HD12 LEU 10 17.591 3.080 -4.933
86 HD13 LEU 10 HD13 LEU 10 19.101 2.315 -5.422
87 HD21 LEU 10 HD21 LEU 10 18.793 5.861 -5.325
88 HD22 LEU 10 HD22 LEU 10 19.539 6.182 -3.760
89 HD23 LEU 10 HD23 LEU 10 17.874 5.600 -3.842
90 H VAL 11 HN VAL 11 18.557 1.950 -0.442
91 HA VAL 11 HA VAL 11 20.883 2.098 1.134
92 HB VAL 11 HB VAL 11 18.577 0.292 1.877
93 HG11 VAL 11 HG11 VAL 11 20.300 2.253 3.429
94 HG12 VAL 11 HG12 VAL 11 20.459 0.496 3.446
95 HG13 VAL 11 HG13 VAL 11 19.013 1.255 4.112
96 HG21 VAL 11 HG21 VAL 11 17.419 2.183 1.012
97 HG22 VAL 11 HG22 VAL 11 18.610 3.310 1.658
98 HG23 VAL 11 HG23 VAL 11 17.513 2.466 2.749
99 H LEU 12 HN LEU 12 19.280 -0.763 -0.250
100 HA LEU 12 HA LEU 12 21.241 -2.670 0.681
101 HB2 LEU 12 HB2 LEU 12 18.955 -2.637 -1.167
102 HB3 LEU 12 HB1 LEU 12 20.270 -3.673 -1.720
103 HG LEU 12 HG LEU 12 20.306 -4.638 0.660
104 HD11 LEU 12 HD11 LEU 12 18.828 -3.904 2.196
105 HD12 LEU 12 HD12 LEU 12 17.484 -4.072 1.069
106 HD13 LEU 12 HD13 LEU 12 18.438 -2.591 1.086
107 HD21 LEU 12 HD21 LEU 12 19.414 -5.923 -1.200
108 HD22 LEU 12 HD22 LEU 12 17.897 -5.025 -1.142
109 HD23 LEU 12 HD23 LEU 12 18.331 -6.109 0.178
110 H ALA 13 HN ALA 13 20.762 -1.036 -2.465
111 HA ALA 13 HA ALA 13 23.083 -1.957 -3.775
112 HB1 ALA 13 HB1 ALA 13 22.113 0.896 -4.017
113 HB2 ALA 13 HB2 ALA 13 21.186 -0.449 -4.682
114 HB3 ALA 13 HB3 ALA 13 22.820 -0.128 -5.267
115 H VAL 14 HN VAL 14 22.714 0.600 -1.374
116 HA VAL 14 HA VAL 14 25.484 1.495 -1.660
117 HB VAL 14 HB VAL 14 23.419 2.066 0.499
118 HG11 VAL 14 HG11 VAL 14 24.891 4.016 1.000
119 HG12 VAL 14 HG12 VAL 14 26.071 3.394 -0.156
120 HG13 VAL 14 HG13 VAL 14 25.696 2.475 1.305
121 HG21 VAL 14 HG21 VAL 14 22.710 3.863 -0.766
122 HG22 VAL 14 HG22 VAL 14 23.191 2.789 -2.080
123 HG23 VAL 14 HG23 VAL 14 24.277 4.070 -1.544
124 H LEU 15 HN LEU 15 23.641 -0.302 0.842
125 HA LEU 15 HA LEU 15 25.923 -0.848 2.463
126 HB2 LEU 15 HB2 LEU 15 24.145 -1.471 3.708
127 HB3 LEU 15 HB1 LEU 15 23.135 -1.772 2.299
128 HG LEU 15 HG LEU 15 25.319 -3.734 2.808
129 HD11 LEU 15 HD11 LEU 15 22.846 -3.506 4.540
130 HD12 LEU 15 HD12 LEU 15 24.522 -3.419 5.080
131 HD13 LEU 15 HD13 LEU 15 23.872 -4.937 4.462
132 HD21 LEU 15 HD21 LEU 15 23.306 -3.638 1.037
133 HD22 LEU 15 HD22 LEU 15 22.454 -4.438 2.358
134 HD23 LEU 15 HD23 LEU 15 23.908 -5.166 1.678
135 H LEU 16 HN LEU 16 24.479 -2.594 -0.285
136 HA LEU 16 HA LEU 16 26.107 -4.903 -0.237
137 HB2 LEU 16 HB2 LEU 16 24.932 -3.320 -2.528
138 HB3 LEU 16 HB1 LEU 16 25.841 -4.809 -2.791
139 HG LEU 16 HG LEU 16 23.459 -4.629 -0.918
140 HD11 LEU 16 HD11 LEU 16 22.085 -5.517 -2.658
141 HD12 LEU 16 HD12 LEU 16 23.474 -5.803 -3.708
142 HD13 LEU 16 HD13 LEU 16 22.942 -4.153 -3.377
143 HD21 LEU 16 HD21 LEU 16 23.556 -7.184 -1.512
144 HD22 LEU 16 HD22 LEU 16 24.688 -6.539 -0.324
145 HD23 LEU 16 HD23 LEU 16 25.220 -6.830 -1.980
146 H ILE 17 HN ILE 17 27.039 -1.643 -0.695
147 HA ILE 17 HA ILE 17 29.757 -2.582 -1.481
148 HB ILE 17 HB ILE 17 28.432 -1.541 -3.409
149 HG12 ILE 17 HG12 ILE 17 30.918 0.024 -2.686
150 HG13 ILE 17 HG11 ILE 17 30.985 -1.675 -3.161
151 HG21 ILE 17 HG21 ILE 17 27.314 0.240 -2.169
152 HG22 ILE 17 HG22 ILE 17 28.348 0.943 -3.412
153 HG23 ILE 17 HG23 ILE 17 28.870 0.945 -1.728
154 HD11 ILE 17 HD11 ILE 17 29.741 0.544 -4.807
155 HD12 ILE 17 HD12 ILE 17 29.867 -1.150 -5.279
156 HD13 ILE 17 HD13 ILE 17 31.325 -0.173 -5.102
157 H CYS 18 HN CYS 18 27.909 -1.121 0.809
158 HA CYS 18 HA CYS 18 30.258 0.196 2.009
159 HB2 CYS 18 HB2 CYS 18 28.176 1.666 0.679
160 HB3 CYS 18 HB1 CYS 18 28.128 2.029 2.404
161 HG CYS 18 HG CYS 18 30.704 2.385 0.665
162 H TRP 19 HN TRP 19 28.385 -2.100 2.510
163 HA TRP 19 HA TRP 19 26.526 -2.063 4.440
164 HB2 TRP 19 HB2 TRP 19 28.872 -3.624 5.365
165 HB3 TRP 19 HB1 TRP 19 27.219 -4.153 5.065
166 HD1 TRP 19 HD1 TRP 19 26.929 -5.623 3.015
167 HE1 TRP 19 HE1 TRP 19 28.238 -6.039 0.830
168 HE3 TRP 19 HE3 TRP 19 30.634 -2.163 3.540
169 HZ2 TRP 19 HZ2 TRP 19 30.551 -5.015 -0.524
170 HZ3 TRP 19 HZ3 TRP 19 32.367 -1.890 1.790
171 HH2 TRP 19 HH2 TRP 19 32.331 -3.307 -0.238
172 H PHE 20 HN PHE 20 29.952 -1.757 5.434
173 HA PHE 20 HA PHE 20 29.658 0.577 6.942
174 HB2 PHE 20 HB2 PHE 20 28.450 -1.628 8.297
175 HB3 PHE 20 HB1 PHE 20 29.923 -1.210 9.168
176 HD1 PHE 20 HD1 PHE 20 30.206 1.648 8.851
177 HD2 PHE 20 HD2 PHE 20 26.632 -0.671 9.408
178 HE1 PHE 20 HE1 PHE 20 29.069 3.627 9.815
179 HE2 PHE 20 HE2 PHE 20 25.498 1.308 10.372
180 HZ PHE 20 HZ PHE 20 26.714 3.458 10.578
181 HA PRO 21 HA PRO 21 33.748 -1.382 8.199
182 HB2 PRO 21 HB2 PRO 21 34.097 -4.057 8.282
183 HB3 PRO 21 HB1 PRO 21 33.223 -3.184 9.553
184 HG2 PRO 21 HG2 PRO 21 32.182 -4.927 7.410
185 HG3 PRO 21 HG1 PRO 21 31.515 -4.581 9.011
186 HD2 PRO 21 HD2 PRO 21 30.715 -3.413 6.531
187 HD3 PRO 21 HD1 PRO 21 30.161 -2.963 8.155
188 H VAL 22 HN VAL 22 32.749 -3.882 5.852
189 HA VAL 22 HA VAL 22 35.193 -4.271 4.597
190 HB VAL 22 HB VAL 22 32.535 -4.264 3.135
191 HG11 VAL 22 HG11 VAL 22 35.154 -5.750 2.772
192 HG12 VAL 22 HG12 VAL 22 34.406 -4.615 1.646
193 HG13 VAL 22 HG13 VAL 22 33.661 -6.187 1.937
194 HG21 VAL 22 HG21 VAL 22 32.695 -6.783 3.873
195 HG22 VAL 22 HG22 VAL 22 32.041 -5.594 4.998
196 HG23 VAL 22 HG23 VAL 22 33.707 -6.147 5.171
197 H LEU 23 HN LEU 23 33.095 -1.489 4.234
198 HA LEU 23 HA LEU 23 34.255 -0.566 1.759
199 HB2 LEU 23 HB2 LEU 23 33.413 1.689 2.503
200 HB3 LEU 23 HB1 LEU 23 32.184 0.432 2.437
201 HG LEU 23 HG LEU 23 33.115 0.189 5.024
202 HD11 LEU 23 HD11 LEU 23 32.829 3.151 4.562
203 HD12 LEU 23 HD12 LEU 23 34.409 2.373 4.499
204 HD13 LEU 23 HD13 LEU 23 33.456 2.313 5.981
205 HD21 LEU 23 HD21 LEU 23 31.016 1.650 5.526
206 HD22 LEU 23 HD22 LEU 23 30.793 0.147 4.635
207 HD23 LEU 23 HD23 LEU 23 30.814 1.685 3.776
208 H ALA 24 HN ALA 24 34.968 0.138 5.182
209 HA ALA 24 HA ALA 24 37.174 1.885 4.742
210 HB1 ALA 24 HB1 ALA 24 37.947 1.120 6.995
211 HB2 ALA 24 HB2 ALA 24 36.701 -0.127 6.964
212 HB3 ALA 24 HB3 ALA 24 36.245 1.576 6.980
213 H LEU 25 HN LEU 25 37.000 -1.644 5.038
214 HA LEU 25 HA LEU 25 39.814 -2.077 4.527
215 HB2 LEU 25 HB2 LEU 25 37.356 -3.761 4.631
216 HB3 LEU 25 HB1 LEU 25 38.731 -4.404 3.741
217 HG LEU 25 HG LEU 25 40.171 -3.963 5.747
218 HD11 LEU 25 HD11 LEU 25 38.885 -3.649 7.922
219 HD12 LEU 25 HD12 LEU 25 37.486 -3.222 6.939
220 HD13 LEU 25 HD13 LEU 25 38.945 -2.233 6.874
221 HD21 LEU 25 HD21 LEU 25 39.017 -6.178 5.270
222 HD22 LEU 25 HD22 LEU 25 37.778 -5.695 6.425
223 HD23 LEU 25 HD23 LEU 25 39.445 -5.909 6.958
224 H MET 26 HN MET 26 36.919 -2.536 2.462
225 HA MET 26 HA MET 26 38.085 -3.128 0.033
226 HB2 MET 26 HB2 MET 26 35.704 -2.973 0.142
227 HB3 MET 26 HB1 MET 26 35.764 -1.291 0.652
228 HG2 MET 26 HG2 MET 26 37.072 -1.888 -1.945
229 HG3 MET 26 HG1 MET 26 35.319 -2.056 -1.913
230 HE1 MET 26 HE1 MET 26 33.903 1.281 -1.988
231 HE2 MET 26 HE2 MET 26 33.675 -0.220 -1.097
232 HE3 MET 26 HE3 MET 26 34.043 -0.276 -2.820
233 H ALA 27 HN ALA 27 37.712 0.182 1.366
234 HA ALA 27 HA ALA 27 38.924 1.591 -0.767
235 HB1 ALA 27 HB1 ALA 27 39.376 3.353 0.831
236 HB2 ALA 27 HB2 ALA 27 39.266 2.217 2.178
237 HB3 ALA 27 HB3 ALA 27 37.824 2.621 1.246
238 H HIS 28 HN HIS 28 40.317 -0.669 1.385
239 HA HIS 28 HA HIS 28 43.049 0.087 0.416
240 HB2 HIS 28 HB2 HIS 28 42.078 -0.080 3.110
241 HB3 HIS 28 HB1 HIS 28 43.222 -1.398 2.858
242 HD1 HIS 28 HD1 HIS 28 45.680 -0.784 2.775
243 HD2 HIS 28 HD2 HIS 28 43.195 2.559 2.482
244 HE1 HIS 28 HE1 HIS 28 47.195 1.255 2.854
245 HE2 HIS 28 HE2 HIS 28 45.687 3.291 2.662
246 H SER 29 HN SER 29 41.181 -2.546 1.903
247 HA SER 29 HA SER 29 42.682 -4.751 0.972
248 HB2 SER 29 HB2 SER 29 39.666 -4.598 1.209
249 HB3 SER 29 HB1 SER 29 40.665 -6.039 1.351
250 HG SER 29 HG SER 29 40.599 -5.524 3.405
251 H LEU 30 HN LEU 30 40.383 -2.663 -0.675
252 HA LEU 30 HA LEU 30 40.812 -4.235 -3.186
253 HB2 LEU 30 HB2 LEU 30 38.414 -3.561 -2.189
254 HB3 LEU 30 HB1 LEU 30 38.766 -2.057 -3.040
255 HG LEU 30 HG LEU 30 39.181 -4.673 -4.454
256 HD11 LEU 30 HD11 LEU 30 36.523 -3.222 -4.314
257 HD12 LEU 30 HD12 LEU 30 36.884 -4.696 -3.414
258 HD13 LEU 30 HD13 LEU 30 36.875 -4.719 -5.176
259 HD21 LEU 30 HD21 LEU 30 39.384 -3.338 -6.272
260 HD22 LEU 30 HD22 LEU 30 39.516 -2.000 -5.129
261 HD23 LEU 30 HD23 LEU 30 37.953 -2.400 -5.842
262 H ALA 31 HN ALA 31 40.726 -0.973 -1.786
263 HA ALA 31 HA ALA 31 42.003 0.925 -2.312
264 HB1 ALA 31 HB1 ALA 31 43.466 -0.456 -4.516
265 HB2 ALA 31 HB2 ALA 31 43.741 -1.027 -2.869
266 HB3 ALA 31 HB3 ALA 31 44.070 0.654 -3.286
267 H THR 32 HN THR 32 40.805 2.438 -3.350
268 HA THR 32 HA THR 32 39.272 1.888 -5.704
269 HB THR 32 HB THR 32 39.138 4.467 -5.789
270 HG1 THR 32 HG1 THR 32 40.316 5.526 -4.419
271 HG21 THR 32 HG21 THR 32 37.400 3.100 -4.737
272 HG22 THR 32 HG22 THR 32 37.710 4.527 -3.748
273 HG23 THR 32 HG23 THR 32 38.367 2.961 -3.268
274 H THR 33 HN THR 33 39.813 2.062 -7.839
275 HA THR 33 HA THR 33 42.611 2.897 -8.451
276 HB THR 33 HB THR 33 42.165 1.569 -10.590
277 HG1 THR 33 HG1 THR 33 39.839 1.687 -10.228
278 HG21 THR 33 HG21 THR 33 43.500 0.469 -8.980
279 HG22 THR 33 HG22 THR 33 42.188 -0.674 -9.278
280 HG23 THR 33 HG23 THR 33 42.165 0.340 -7.833
Start of MODEL 5
1 H1 ASP 1 HT1 ASP 1 7.201 -3.884 1.262
2 H2 ASP 1 HT2 ASP 1 6.431 -3.307 -0.138
3 H3 ASP 1 HT3 ASP 1 5.740 -3.044 1.392
4 HA ASP 1 HA ASP 1 8.438 -2.042 1.055
5 HB2 ASP 1 HB2 ASP 1 6.061 -0.704 -0.287
6 HB3 ASP 1 HB1 ASP 1 7.689 -0.036 -0.160
7 H VAL 2 HN VAL 2 8.661 -1.350 3.139
8 HA VAL 2 HA VAL 2 6.389 -0.079 4.565
9 HB VAL 2 HB VAL 2 8.113 -1.450 5.820
10 HG11 VAL 2 HG11 VAL 2 9.956 0.862 5.167
11 HG12 VAL 2 HG12 VAL 2 10.058 -0.743 4.441
12 HG13 VAL 2 HG13 VAL 2 10.336 -0.539 6.167
13 HG21 VAL 2 HG21 VAL 2 8.533 0.332 7.589
14 HG22 VAL 2 HG22 VAL 2 6.850 0.146 7.098
15 HG23 VAL 2 HG23 VAL 2 7.804 1.491 6.475
16 H ARG 3 HN ARG 3 9.352 0.518 2.892
17 HA ARG 3 HA ARG 3 8.486 3.320 2.416
18 HB2 ARG 3 HB2 ARG 3 10.843 2.667 3.717
19 HB3 ARG 3 HB1 ARG 3 11.358 2.769 2.031
20 HG2 ARG 3 HG2 ARG 3 10.195 4.980 1.883
21 HG3 ARG 3 HG1 ARG 3 9.891 4.888 3.614
22 HD2 ARG 3 HD2 ARG 3 12.672 4.681 2.439
23 HD3 ARG 3 HD1 ARG 3 11.962 6.216 2.926
24 HE ARG 3 HE ARG 3 11.760 5.222 5.242
25 HH11 ARG 3 HH21 ARG 3 13.984 3.863 2.923
26 HH12 ARG 3 HH22 ARG 3 15.038 3.228 4.143
27 HH21 ARG 3 HH11 ARG 3 13.153 4.408 6.802
28 HH22 ARG 3 HH12 ARG 3 14.576 3.543 6.325
29 H LEU 4 HN LEU 4 8.697 3.878 0.160
30 HA LEU 4 HA LEU 4 8.106 1.907 -1.692
31 HB2 LEU 4 HB2 LEU 4 9.661 4.467 -2.196
32 HB3 LEU 4 HB1 LEU 4 8.921 3.484 -3.456
33 HG LEU 4 HG LEU 4 7.313 5.156 -3.055
34 HD11 LEU 4 HD11 LEU 4 5.424 4.013 -2.129
35 HD12 LEU 4 HD12 LEU 4 6.452 2.998 -1.119
36 HD13 LEU 4 HD13 LEU 4 6.441 2.777 -2.869
37 HD21 LEU 4 HD21 LEU 4 8.611 5.626 -0.726
38 HD22 LEU 4 HD22 LEU 4 7.165 4.828 -0.106
39 HD23 LEU 4 HD23 LEU 4 7.015 6.284 -1.088
40 H ALA 5 HN ALA 5 9.247 0.365 -2.791
41 HA ALA 5 HA ALA 5 11.677 -0.649 -1.975
42 HB1 ALA 5 HB1 ALA 5 10.120 -1.676 -3.684
43 HB2 ALA 5 HB2 ALA 5 11.833 -1.813 -4.086
44 HB3 ALA 5 HB3 ALA 5 10.834 -0.600 -4.886
45 H LYS 6 HN LYS 6 11.186 2.199 -3.887
46 HA LYS 6 HA LYS 6 13.942 2.433 -4.808
47 HB2 LYS 6 HB2 LYS 6 11.579 3.687 -5.491
48 HB3 LYS 6 HB1 LYS 6 12.375 4.920 -4.515
49 HG2 LYS 6 HG2 LYS 6 13.151 5.306 -6.725
50 HG3 LYS 6 HG1 LYS 6 14.475 4.456 -5.929
51 HD2 LYS 6 HD2 LYS 6 13.767 2.343 -6.917
52 HD3 LYS 6 HD1 LYS 6 12.351 3.117 -7.630
53 HE2 LYS 6 HE2 LYS 6 15.120 4.154 -8.233
54 HE3 LYS 6 HE1 LYS 6 14.470 2.779 -9.124
55 HZ1 LYS 6 HZ1 LYS 6 13.847 4.630 -10.366
56 HZ2 LYS 6 HZ2 LYS 6 13.438 5.547 -9.000
57 HZ3 LYS 6 HZ3 LYS 6 12.444 4.263 -9.492
58 H THR 7 HN THR 7 11.985 4.181 -2.373
59 HA THR 7 HA THR 7 14.237 5.443 -1.101
60 HB THR 7 HB THR 7 11.827 4.883 0.527
61 HG1 THR 7 HG1 THR 7 11.229 6.775 -1.289
62 HG21 THR 7 HG21 THR 7 13.201 7.436 -0.359
63 HG22 THR 7 HG22 THR 7 13.552 6.559 1.130
64 HG23 THR 7 HG23 THR 7 11.970 7.304 0.898
65 H LEU 8 HN LEU 8 13.836 2.310 -1.415
66 HA LEU 8 HA LEU 8 15.071 1.706 1.231
67 HB2 LEU 8 HB2 LEU 8 12.696 0.485 -0.011
68 HB3 LEU 8 HB1 LEU 8 13.934 -0.694 0.420
69 HG LEU 8 HG LEU 8 12.870 1.416 2.327
70 HD11 LEU 8 HD11 LEU 8 11.357 -0.114 3.158
71 HD12 LEU 8 HD12 LEU 8 12.282 -1.504 2.596
72 HD13 LEU 8 HD13 LEU 8 11.326 -0.559 1.453
73 HD21 LEU 8 HD21 LEU 8 13.903 -0.418 3.923
74 HD22 LEU 8 HD22 LEU 8 14.953 0.785 3.176
75 HD23 LEU 8 HD23 LEU 8 14.848 -0.839 2.496
76 H GLY 9 HN GLY 9 14.543 0.650 -2.115
77 HA2 GLY 9 HA2 GLY 9 16.732 -1.136 -2.328
78 HA3 GLY 9 HA1 GLY 9 15.978 -0.302 -3.681
79 H LEU 10 HN LEU 10 16.487 2.335 -3.180
80 HA LEU 10 HA LEU 10 19.140 2.678 -4.082
81 HB2 LEU 10 HB2 LEU 10 16.960 4.397 -3.318
82 HB3 LEU 10 HB1 LEU 10 18.450 5.008 -2.594
83 HG LEU 10 HG LEU 10 19.476 4.598 -4.969
84 HD11 LEU 10 HD11 LEU 10 17.952 4.639 -6.799
85 HD12 LEU 10 HD12 LEU 10 16.583 4.995 -5.747
86 HD13 LEU 10 HD13 LEU 10 17.337 3.401 -5.705
87 HD21 LEU 10 HD21 LEU 10 19.147 6.821 -3.944
88 HD22 LEU 10 HD22 LEU 10 17.465 6.817 -4.475
89 HD23 LEU 10 HD23 LEU 10 18.765 6.859 -5.666
90 H VAL 11 HN VAL 11 17.893 3.328 -0.793
91 HA VAL 11 HA VAL 11 20.311 3.814 0.524
92 HB VAL 11 HB VAL 11 18.270 1.999 1.795
93 HG11 VAL 11 HG11 VAL 11 20.307 2.879 3.012
94 HG12 VAL 11 HG12 VAL 11 18.769 3.311 3.757
95 HG13 VAL 11 HG13 VAL 11 19.648 4.504 2.803
96 HG21 VAL 11 HG21 VAL 11 16.772 3.480 0.726
97 HG22 VAL 11 HG22 VAL 11 17.877 4.847 0.872
98 HG23 VAL 11 HG23 VAL 11 17.033 4.241 2.295
99 H LEU 12 HN LEU 12 18.835 0.699 -0.323
100 HA LEU 12 HA LEU 12 20.936 -0.956 0.756
101 HB2 LEU 12 HB2 LEU 12 18.567 -1.286 -0.935
102 HB3 LEU 12 HB1 LEU 12 19.904 -2.309 -1.455
103 HG LEU 12 HG LEU 12 19.523 -2.262 1.466
104 HD11 LEU 12 HD11 LEU 12 17.448 -3.306 1.617
105 HD12 LEU 12 HD12 LEU 12 17.475 -3.838 -0.063
106 HD13 LEU 12 HD13 LEU 12 17.143 -2.149 0.322
107 HD21 LEU 12 HD21 LEU 12 19.602 -4.517 -0.562
108 HD22 LEU 12 HD22 LEU 12 19.853 -4.660 1.178
109 HD23 LEU 12 HD23 LEU 12 21.028 -3.796 0.186
110 H ALA 13 HN ALA 13 20.246 0.122 -2.586
111 HA ALA 13 HA ALA 13 22.642 -0.834 -3.766
112 HB1 ALA 13 HB1 ALA 13 20.573 0.259 -4.892
113 HB2 ALA 13 HB2 ALA 13 22.157 0.582 -5.596
114 HB3 ALA 13 HB3 ALA 13 21.386 1.790 -4.569
115 H VAL 14 HN VAL 14 22.017 2.033 -1.839
116 HA VAL 14 HA VAL 14 24.630 3.228 -2.389
117 HB VAL 14 HB VAL 14 22.610 3.814 -0.196
118 HG11 VAL 14 HG11 VAL 14 24.543 4.830 0.593
119 HG12 VAL 14 HG12 VAL 14 23.924 6.110 -0.449
120 HG13 VAL 14 HG13 VAL 14 25.213 5.052 -1.023
121 HG21 VAL 14 HG21 VAL 14 22.166 4.140 -2.839
122 HG22 VAL 14 HG22 VAL 14 23.036 5.638 -2.512
123 HG23 VAL 14 HG23 VAL 14 21.556 5.268 -1.628
124 H LEU 15 HN LEU 15 23.126 1.551 0.401
125 HA LEU 15 HA LEU 15 25.547 1.473 1.942
126 HB2 LEU 15 HB2 LEU 15 23.913 0.875 3.385
127 HB3 LEU 15 HB1 LEU 15 22.858 0.294 2.100
128 HG LEU 15 HG LEU 15 25.247 -1.384 2.717
129 HD11 LEU 15 HD11 LEU 15 23.708 -2.478 4.536
130 HD12 LEU 15 HD12 LEU 15 22.990 -0.870 4.629
131 HD13 LEU 15 HD13 LEU 15 24.706 -1.092 4.971
132 HD21 LEU 15 HD21 LEU 15 22.450 -2.401 2.570
133 HD22 LEU 15 HD22 LEU 15 23.923 -3.063 1.864
134 HD23 LEU 15 HD23 LEU 15 23.115 -1.697 1.098
135 H LEU 16 HN LEU 16 24.108 -0.767 -0.415
136 HA LEU 16 HA LEU 16 25.909 -2.916 -0.196
137 HB2 LEU 16 HB2 LEU 16 24.369 -1.731 -2.476
138 HB3 LEU 16 HB1 LEU 16 25.564 -2.981 -2.820
139 HG LEU 16 HG LEU 16 23.503 -3.356 -0.644
140 HD11 LEU 16 HD11 LEU 16 22.119 -4.569 -2.299
141 HD12 LEU 16 HD12 LEU 16 23.222 -4.067 -3.580
142 HD13 LEU 16 HD13 LEU 16 22.269 -2.860 -2.715
143 HD21 LEU 16 HD21 LEU 16 25.182 -5.006 -0.504
144 HD22 LEU 16 HD22 LEU 16 25.356 -5.109 -2.256
145 HD23 LEU 16 HD23 LEU 16 23.933 -5.792 -1.469
146 H ILE 17 HN ILE 17 26.626 0.309 -1.031
147 HA ILE 17 HA ILE 17 29.353 -0.572 -1.844
148 HB ILE 17 HB ILE 17 27.944 0.282 -3.790
149 HG12 ILE 17 HG12 ILE 17 29.893 2.135 -4.246
150 HG13 ILE 17 HG11 ILE 17 30.636 1.193 -2.955
151 HG21 ILE 17 HG21 ILE 17 27.836 2.808 -3.909
152 HG22 ILE 17 HG22 ILE 17 28.199 2.833 -2.186
153 HG23 ILE 17 HG23 ILE 17 26.724 2.061 -2.765
154 HD11 ILE 17 HD11 ILE 17 31.219 0.228 -5.128
155 HD12 ILE 17 HD12 ILE 17 29.510 0.088 -5.542
156 HD13 ILE 17 HD13 ILE 17 30.182 -0.886 -4.235
157 H CYS 18 HN CYS 18 27.810 0.573 0.636
158 HA CYS 18 HA CYS 18 30.058 2.224 1.530
159 HB2 CYS 18 HB2 CYS 18 27.438 3.426 0.773
160 HB3 CYS 18 HB1 CYS 18 28.171 4.005 2.267
161 HG CYS 18 HG CYS 18 29.611 5.394 0.809
162 H TRP 19 HN TRP 19 27.908 -0.085 2.101
163 HA TRP 19 HA TRP 19 26.472 -0.034 4.324
164 HB2 TRP 19 HB2 TRP 19 28.460 -2.062 4.887
165 HB3 TRP 19 HB1 TRP 19 26.804 -2.255 4.333
166 HD1 TRP 19 HD1 TRP 19 26.769 -3.629 2.206
167 HE1 TRP 19 HE1 TRP 19 28.172 -3.732 0.041
168 HE3 TRP 19 HE3 TRP 19 30.361 -0.164 3.300
169 HZ2 TRP 19 HZ2 TRP 19 30.491 -2.508 -1.077
170 HZ3 TRP 19 HZ3 TRP 19 32.143 0.352 1.658
171 HH2 TRP 19 HH2 TRP 19 32.214 -0.815 -0.525
172 H PHE 20 HN PHE 20 29.636 -1.087 5.418
173 HA PHE 20 HA PHE 20 29.979 1.306 7.094
174 HB2 PHE 20 HB2 PHE 20 29.960 -1.255 8.637
175 HB3 PHE 20 HB1 PHE 20 29.605 0.378 9.175
176 HD1 PHE 20 HD1 PHE 20 27.405 1.452 8.516
177 HD2 PHE 20 HD2 PHE 20 28.214 -2.727 7.917
178 HE1 PHE 20 HE1 PHE 20 24.977 1.015 8.296
179 HE2 PHE 20 HE2 PHE 20 25.787 -3.159 7.688
180 HZ PHE 20 HZ PHE 20 24.165 -1.290 7.879
181 HA PRO 21 HA PRO 21 33.825 -1.363 7.535
182 HB2 PRO 21 HB2 PRO 21 33.774 -4.019 6.954
183 HB3 PRO 21 HB1 PRO 21 33.130 -3.356 8.467
184 HG2 PRO 21 HG2 PRO 21 31.704 -4.494 6.179
185 HG3 PRO 21 HG1 PRO 21 31.147 -4.221 7.835
186 HD2 PRO 21 HD2 PRO 21 30.657 -2.582 5.484
187 HD3 PRO 21 HD1 PRO 21 29.992 -2.398 7.120
188 H VAL 22 HN VAL 22 32.334 -2.931 4.690
189 HA VAL 22 HA VAL 22 34.653 -3.422 3.234
190 HB VAL 22 HB VAL 22 32.005 -2.599 2.007
191 HG11 VAL 22 HG11 VAL 22 34.254 -4.421 1.093
192 HG12 VAL 22 HG12 VAL 22 33.828 -2.859 0.394
193 HG13 VAL 22 HG13 VAL 22 32.718 -4.221 0.248
194 HG21 VAL 22 HG21 VAL 22 31.610 -5.134 2.096
195 HG22 VAL 22 HG22 VAL 22 31.463 -4.268 3.624
196 HG23 VAL 22 HG23 VAL 22 32.924 -5.190 3.271
197 H LEU 23 HN LEU 23 33.086 -0.342 3.743
198 HA LEU 23 HA LEU 23 34.371 1.021 1.538
199 HB2 LEU 23 HB2 LEU 23 33.997 3.095 2.958
200 HB3 LEU 23 HB1 LEU 23 32.545 2.183 2.566
201 HG LEU 23 HG LEU 23 33.330 0.990 4.921
202 HD11 LEU 23 HD11 LEU 23 33.571 3.868 5.630
203 HD12 LEU 23 HD12 LEU 23 34.986 3.129 4.885
204 HD13 LEU 23 HD13 LEU 23 34.325 2.458 6.375
205 HD21 LEU 23 HD21 LEU 23 31.468 3.304 4.356
206 HD22 LEU 23 HD22 LEU 23 31.559 2.543 5.944
207 HD23 LEU 23 HD23 LEU 23 31.059 1.599 4.540
208 H ALA 24 HN ALA 24 35.162 0.863 5.024
209 HA ALA 24 HA ALA 24 37.780 2.006 4.791
210 HB1 ALA 24 HB1 ALA 24 36.888 1.811 7.001
211 HB2 ALA 24 HB2 ALA 24 38.205 0.640 6.931
212 HB3 ALA 24 HB3 ALA 24 36.533 0.096 6.785
213 H LEU 25 HN LEU 25 36.600 -1.354 4.713
214 HA LEU 25 HA LEU 25 39.135 -2.599 4.287
215 HB2 LEU 25 HB2 LEU 25 36.730 -3.632 4.689
216 HB3 LEU 25 HB1 LEU 25 36.661 -3.628 2.927
217 HG LEU 25 HG LEU 25 39.228 -4.641 3.794
218 HD11 LEU 25 HD11 LEU 25 38.701 -6.398 5.198
219 HD12 LEU 25 HD12 LEU 25 37.031 -6.486 4.640
220 HD13 LEU 25 HD13 LEU 25 37.521 -5.217 5.762
221 HD21 LEU 25 HD21 LEU 25 37.769 -4.941 1.630
222 HD22 LEU 25 HD22 LEU 25 37.033 -6.266 2.530
223 HD23 LEU 25 HD23 LEU 25 38.763 -6.285 2.189
224 H MET 26 HN MET 26 36.669 -1.495 1.943
225 HA MET 26 HA MET 26 38.065 -2.082 -0.434
226 HB2 MET 26 HB2 MET 26 35.807 -1.336 -0.629
227 HB3 MET 26 HB1 MET 26 36.127 0.134 0.290
228 HG2 MET 26 HG2 MET 26 37.398 1.085 -1.503
229 HG3 MET 26 HG1 MET 26 37.465 -0.453 -2.363
230 HE1 MET 26 HE1 MET 26 36.294 2.746 -2.952
231 HE2 MET 26 HE2 MET 26 35.519 2.644 -1.373
232 HE3 MET 26 HE3 MET 26 34.534 2.841 -2.820
233 H ALA 27 HN ALA 27 38.161 0.907 1.527
234 HA ALA 27 HA ALA 27 40.067 2.307 -0.048
235 HB1 ALA 27 HB1 ALA 27 38.765 3.296 1.853
236 HB2 ALA 27 HB2 ALA 27 40.489 3.657 1.936
237 HB3 ALA 27 HB3 ALA 27 39.799 2.409 2.974
238 H HIS 28 HN HIS 28 40.450 -0.448 1.976
239 HA HIS 28 HA HIS 28 43.423 -0.116 1.971
240 HB2 HIS 28 HB2 HIS 28 42.107 -0.587 4.151
241 HB3 HIS 28 HB1 HIS 28 41.862 -2.208 3.505
242 HD1 HIS 28 HD1 HIS 28 44.798 -2.198 2.082
243 HD2 HIS 28 HD2 HIS 28 43.952 -1.521 6.123
244 HE1 HIS 28 HE1 HIS 28 46.914 -2.746 3.377
245 HE2 HIS 28 HE2 HIS 28 46.405 -2.345 5.831
246 H SER 29 HN SER 29 40.933 -2.637 1.565
247 HA SER 29 HA SER 29 42.575 -4.569 0.296
248 HB2 SER 29 HB2 SER 29 39.930 -4.421 1.035
249 HB3 SER 29 HB1 SER 29 39.799 -4.376 -0.717
250 HG SER 29 HG SER 29 39.879 -6.497 -0.271
251 H LEU 30 HN LEU 30 40.691 -1.869 -1.038
252 HA LEU 30 HA LEU 30 41.999 -2.362 -3.681
253 HB2 LEU 30 HB2 LEU 30 39.319 -1.330 -2.856
254 HB3 LEU 30 HB1 LEU 30 40.047 -0.619 -4.293
255 HG LEU 30 HG LEU 30 40.417 -2.938 -5.187
256 HD11 LEU 30 HD11 LEU 30 40.408 -4.260 -3.184
257 HD12 LEU 30 HD12 LEU 30 38.974 -4.727 -4.094
258 HD13 LEU 30 HD13 LEU 30 38.827 -3.647 -2.708
259 HD21 LEU 30 HD21 LEU 30 38.487 -1.661 -5.946
260 HD22 LEU 30 HD22 LEU 30 37.571 -2.124 -4.512
261 HD23 LEU 30 HD23 LEU 30 37.999 -3.341 -5.714
262 H ALA 31 HN ALA 31 43.498 -1.109 -1.678
263 HA ALA 31 HA ALA 31 43.433 1.666 -1.442
264 HB1 ALA 31 HB1 ALA 31 45.198 -0.025 -0.559
265 HB2 ALA 31 HB2 ALA 31 45.758 1.589 -0.996
266 HB3 ALA 31 HB3 ALA 31 46.011 0.238 -2.101
267 H THR 32 HN THR 32 43.274 3.216 -2.987
268 HA THR 32 HA THR 32 43.358 2.600 -5.752
269 HB THR 32 HB THR 32 43.591 5.283 -5.803
270 HG1 THR 32 HG1 THR 32 44.062 5.290 -3.529
271 HG21 THR 32 HG21 THR 32 41.040 5.211 -5.133
272 HG22 THR 32 HG22 THR 32 41.299 3.466 -5.129
273 HG23 THR 32 HG23 THR 32 41.593 4.399 -6.597
274 H THR 33 HN THR 33 45.132 2.082 -6.867
275 HA THR 33 HA THR 33 47.376 3.948 -6.941
276 HB THR 33 HB THR 33 48.342 2.652 -5.208
277 HG1 THR 33 HG1 THR 33 49.125 2.113 -7.778
278 HG21 THR 33 HG21 THR 33 46.907 0.856 -4.855
279 HG22 THR 33 HG22 THR 33 48.322 0.048 -5.524
280 HG23 THR 33 HG23 THR 33 46.928 0.375 -6.552
Start of MODEL 6
1 H1 ASP 1 HT1 ASP 1 4.809 4.285 2.249
2 H2 ASP 1 HT2 ASP 1 4.119 2.917 1.516
3 H3 ASP 1 HT3 ASP 1 5.116 3.955 0.614
4 HA ASP 1 HA ASP 1 5.893 1.681 1.953
5 HB2 ASP 1 HB2 ASP 1 7.726 3.935 1.118
6 HB3 ASP 1 HB1 ASP 1 8.054 2.204 1.086
7 H VAL 2 HN VAL 2 7.214 1.329 3.795
8 HA VAL 2 HA VAL 2 7.095 3.167 6.014
9 HB VAL 2 HB VAL 2 8.943 1.791 6.957
10 HG11 VAL 2 HG11 VAL 2 6.915 0.034 5.547
11 HG12 VAL 2 HG12 VAL 2 6.554 0.987 6.985
12 HG13 VAL 2 HG13 VAL 2 7.748 -0.305 7.063
13 HG21 VAL 2 HG21 VAL 2 8.947 0.554 4.180
14 HG22 VAL 2 HG22 VAL 2 9.747 -0.165 5.576
15 HG23 VAL 2 HG23 VAL 2 10.282 1.399 4.965
16 H ARG 3 HN ARG 3 9.333 2.541 3.410
17 HA ARG 3 HA ARG 3 10.277 5.314 3.514
18 HB2 ARG 3 HB2 ARG 3 12.164 2.938 3.711
19 HB3 ARG 3 HB1 ARG 3 12.681 4.563 3.255
20 HG2 ARG 3 HG2 ARG 3 11.520 5.319 5.450
21 HG3 ARG 3 HG1 ARG 3 11.571 3.612 5.895
22 HD2 ARG 3 HD2 ARG 3 14.141 4.132 4.939
23 HD3 ARG 3 HD1 ARG 3 13.727 5.581 5.859
24 HE ARG 3 HE ARG 3 13.006 3.262 7.384
25 HH11 ARG 3 HH21 ARG 3 15.720 5.030 6.181
26 HH12 ARG 3 HH22 ARG 3 16.761 4.586 7.490
27 HH21 ARG 3 HH11 ARG 3 14.350 2.683 9.108
28 HH22 ARG 3 HH12 ARG 3 15.988 3.249 9.141
29 H LEU 4 HN LEU 4 9.944 5.928 1.430
30 HA LEU 4 HA LEU 4 8.959 4.439 -0.598
31 HB2 LEU 4 HB2 LEU 4 10.806 6.806 -0.715
32 HB3 LEU 4 HB1 LEU 4 10.246 6.044 -2.205
33 HG LEU 4 HG LEU 4 8.013 6.345 -0.413
34 HD11 LEU 4 HD11 LEU 4 9.401 8.177 0.567
35 HD12 LEU 4 HD12 LEU 4 7.937 8.769 -0.210
36 HD13 LEU 4 HD13 LEU 4 9.490 8.923 -1.030
37 HD21 LEU 4 HD21 LEU 4 8.099 6.189 -2.958
38 HD22 LEU 4 HD22 LEU 4 8.607 7.878 -2.956
39 HD23 LEU 4 HD23 LEU 4 7.027 7.429 -2.307
40 H ALA 5 HN ALA 5 9.589 2.776 -1.837
41 HA ALA 5 HA ALA 5 11.759 1.167 -1.483
42 HB1 ALA 5 HB1 ALA 5 9.964 0.590 -3.042
43 HB2 ALA 5 HB2 ALA 5 11.525 0.422 -3.844
44 HB3 ALA 5 HB3 ALA 5 10.513 1.831 -4.170
45 H LYS 6 HN LYS 6 11.816 4.213 -3.214
46 HA LYS 6 HA LYS 6 14.375 3.846 -4.469
47 HB2 LYS 6 HB2 LYS 6 12.440 5.992 -4.176
48 HB3 LYS 6 HB1 LYS 6 14.076 6.602 -3.923
49 HG2 LYS 6 HG2 LYS 6 13.250 4.896 -6.294
50 HG3 LYS 6 HG1 LYS 6 13.343 6.657 -6.326
51 HD2 LYS 6 HD2 LYS 6 15.616 6.670 -6.387
52 HD3 LYS 6 HD1 LYS 6 15.756 5.320 -5.256
53 HE2 LYS 6 HE2 LYS 6 16.548 4.457 -7.340
54 HE3 LYS 6 HE1 LYS 6 14.907 3.828 -7.184
55 HZ1 LYS 6 HZ1 LYS 6 15.914 5.966 -8.924
56 HZ2 LYS 6 HZ2 LYS 6 14.294 6.008 -8.417
57 HZ3 LYS 6 HZ3 LYS 6 14.880 4.676 -9.293
58 H THR 7 HN THR 7 13.387 5.359 -1.389
59 HA THR 7 HA THR 7 15.993 6.109 -0.503
60 HB THR 7 HB THR 7 14.997 5.930 1.796
61 HG1 THR 7 HG1 THR 7 12.946 4.698 0.277
62 HG21 THR 7 HG21 THR 7 12.799 7.171 0.276
63 HG22 THR 7 HG22 THR 7 14.410 7.708 -0.197
64 HG23 THR 7 HG23 THR 7 13.880 7.882 1.476
65 H LEU 8 HN LEU 8 14.091 3.237 0.393
66 HA LEU 8 HA LEU 8 16.172 1.701 1.535
67 HB2 LEU 8 HB2 LEU 8 13.658 0.998 0.018
68 HB3 LEU 8 HB1 LEU 8 14.745 -0.259 0.590
69 HG LEU 8 HG LEU 8 13.460 1.874 2.323
70 HD11 LEU 8 HD11 LEU 8 11.874 0.150 1.506
71 HD12 LEU 8 HD12 LEU 8 12.137 0.040 3.247
72 HD13 LEU 8 HD13 LEU 8 12.925 -1.107 2.164
73 HD21 LEU 8 HD21 LEU 8 14.332 0.099 4.089
74 HD22 LEU 8 HD22 LEU 8 15.399 1.363 3.485
75 HD23 LEU 8 HD23 LEU 8 15.499 -0.268 2.820
76 H GLY 9 HN GLY 9 15.057 1.839 -1.857
77 HA2 GLY 9 HA2 GLY 9 16.952 0.116 -3.030
78 HA3 GLY 9 HA1 GLY 9 16.247 1.506 -3.847
79 H LEU 10 HN LEU 10 17.226 3.541 -2.126
80 HA LEU 10 HA LEU 10 19.872 3.914 -3.195
81 HB2 LEU 10 HB2 LEU 10 17.981 5.471 -1.695
82 HB3 LEU 10 HB1 LEU 10 19.534 5.530 -0.861
83 HG LEU 10 HG LEU 10 20.564 6.006 -3.175
84 HD11 LEU 10 HD11 LEU 10 17.719 6.834 -3.795
85 HD12 LEU 10 HD12 LEU 10 18.432 5.330 -4.379
86 HD13 LEU 10 HD13 LEU 10 19.113 6.880 -4.874
87 HD21 LEU 10 HD21 LEU 10 20.362 7.722 -1.435
88 HD22 LEU 10 HD22 LEU 10 18.682 8.013 -1.891
89 HD23 LEU 10 HD23 LEU 10 19.983 8.418 -3.010
90 H VAL 11 HN VAL 11 18.688 3.121 0.083
91 HA VAL 11 HA VAL 11 21.214 2.759 1.326
92 HB VAL 11 HB VAL 11 18.782 0.994 1.771
93 HG11 VAL 11 HG11 VAL 11 20.871 0.316 2.920
94 HG12 VAL 11 HG12 VAL 11 19.660 0.878 4.074
95 HG13 VAL 11 HG13 VAL 11 21.002 1.930 3.619
96 HG21 VAL 11 HG21 VAL 11 19.350 3.846 2.571
97 HG22 VAL 11 HG22 VAL 11 18.378 2.813 3.620
98 HG23 VAL 11 HG23 VAL 11 17.850 3.140 1.971
99 H LEU 12 HN LEU 12 19.283 0.569 -0.696
100 HA LEU 12 HA LEU 12 21.116 -1.652 -0.597
101 HB2 LEU 12 HB2 LEU 12 19.188 -0.802 -2.788
102 HB3 LEU 12 HB1 LEU 12 19.998 -2.362 -2.711
103 HG LEU 12 HG LEU 12 18.068 -1.255 -0.650
104 HD11 LEU 12 HD11 LEU 12 16.565 -2.998 -1.409
105 HD12 LEU 12 HD12 LEU 12 17.787 -3.631 -2.512
106 HD13 LEU 12 HD13 LEU 12 17.064 -2.051 -2.809
107 HD21 LEU 12 HD21 LEU 12 18.276 -3.717 0.163
108 HD22 LEU 12 HD22 LEU 12 19.564 -2.591 0.583
109 HD23 LEU 12 HD23 LEU 12 19.788 -3.732 -0.745
110 H ALA 13 HN ALA 13 20.690 0.991 -2.970
111 HA ALA 13 HA ALA 13 22.950 0.362 -4.584
112 HB1 ALA 13 HB1 ALA 13 22.384 2.260 -5.684
113 HB2 ALA 13 HB2 ALA 13 22.525 3.238 -4.223
114 HB3 ALA 13 HB3 ALA 13 21.031 2.366 -4.558
115 H VAL 14 HN VAL 14 22.664 2.333 -1.645
116 HA VAL 14 HA VAL 14 25.428 3.160 -1.658
117 HB VAL 14 HB VAL 14 23.531 2.970 0.702
118 HG11 VAL 14 HG11 VAL 14 24.960 4.831 1.569
119 HG12 VAL 14 HG12 VAL 14 26.035 4.605 0.190
120 HG13 VAL 14 HG13 VAL 14 25.843 3.316 1.379
121 HG21 VAL 14 HG21 VAL 14 23.923 5.614 -0.462
122 HG22 VAL 14 HG22 VAL 14 22.420 4.774 -0.083
123 HG23 VAL 14 HG23 VAL 14 23.219 4.495 -1.629
124 H LEU 15 HN LEU 15 23.678 0.599 0.165
125 HA LEU 15 HA LEU 15 26.068 -0.369 1.433
126 HB2 LEU 15 HB2 LEU 15 24.743 -2.028 2.338
127 HB3 LEU 15 HB1 LEU 15 23.484 -0.888 1.880
128 HG LEU 15 HG LEU 15 23.488 -2.191 -0.394
129 HD11 LEU 15 HD11 LEU 15 25.530 -3.575 0.850
130 HD12 LEU 15 HD12 LEU 15 24.585 -4.176 -0.511
131 HD13 LEU 15 HD13 LEU 15 24.138 -4.616 1.136
132 HD21 LEU 15 HD21 LEU 15 21.763 -3.651 0.461
133 HD22 LEU 15 HD22 LEU 15 21.677 -2.138 1.366
134 HD23 LEU 15 HD23 LEU 15 22.426 -3.560 2.093
135 H LEU 16 HN LEU 16 24.516 -1.015 -1.663
136 HA LEU 16 HA LEU 16 25.986 -3.255 -2.547
137 HB2 LEU 16 HB2 LEU 16 24.794 -0.870 -3.900
138 HB3 LEU 16 HB1 LEU 16 25.910 -1.867 -4.830
139 HG LEU 16 HG LEU 16 23.594 -3.050 -3.286
140 HD11 LEU 16 HD11 LEU 16 23.635 -1.639 -5.897
141 HD12 LEU 16 HD12 LEU 16 22.297 -1.913 -4.781
142 HD13 LEU 16 HD13 LEU 16 22.803 -3.194 -5.882
143 HD21 LEU 16 HD21 LEU 16 24.087 -4.676 -5.409
144 HD22 LEU 16 HD22 LEU 16 24.865 -4.873 -3.839
145 HD23 LEU 16 HD23 LEU 16 25.703 -4.024 -5.137
146 H ILE 17 HN ILE 17 27.082 -0.062 -1.797
147 HA ILE 17 HA ILE 17 29.786 -0.806 -2.828
148 HB ILE 17 HB ILE 17 28.564 1.042 -4.127
149 HG12 ILE 17 HG12 ILE 17 30.732 2.614 -3.707
150 HG13 ILE 17 HG11 ILE 17 31.299 1.118 -2.965
151 HG21 ILE 17 HG21 ILE 17 28.709 3.301 -3.054
152 HG22 ILE 17 HG22 ILE 17 29.094 2.507 -1.530
153 HG23 ILE 17 HG23 ILE 17 27.532 2.232 -2.298
154 HD11 ILE 17 HD11 ILE 17 30.391 -0.010 -5.143
155 HD12 ILE 17 HD12 ILE 17 31.933 0.846 -5.211
156 HD13 ILE 17 HD13 ILE 17 30.468 1.620 -5.813
157 H CYS 18 HN CYS 18 28.116 -0.660 -0.115
158 HA CYS 18 HA CYS 18 30.464 0.085 1.503
159 HB2 CYS 18 HB2 CYS 18 28.065 1.789 1.238
160 HB3 CYS 18 HB1 CYS 18 28.601 1.502 2.893
161 HG CYS 18 HG CYS 18 30.584 2.598 0.735
162 H TRP 19 HN TRP 19 28.238 -2.057 0.873
163 HA TRP 19 HA TRP 19 26.587 -2.995 2.682
164 HB2 TRP 19 HB2 TRP 19 28.803 -4.927 2.598
165 HB3 TRP 19 HB1 TRP 19 27.148 -5.085 2.012
166 HD1 TRP 19 HD1 TRP 19 26.887 -5.136 -0.502
167 HE1 TRP 19 HE1 TRP 19 28.304 -4.380 -2.526
168 HE3 TRP 19 HE3 TRP 19 30.763 -2.865 1.929
169 HZ2 TRP 19 HZ2 TRP 19 30.749 -2.981 -3.037
170 HZ3 TRP 19 HZ3 TRP 19 32.603 -1.809 0.651
171 HH2 TRP 19 HH2 TRP 19 32.597 -1.860 -1.822
172 H PHE 20 HN PHE 20 29.996 -3.653 3.551
173 HA PHE 20 HA PHE 20 29.988 -2.269 5.998
174 HB2 PHE 20 HB2 PHE 20 28.591 -4.837 6.119
175 HB3 PHE 20 HB1 PHE 20 29.926 -4.750 7.266
176 HD1 PHE 20 HD2 PHE 20 30.041 -2.028 8.150
177 HD2 PHE 20 HD1 PHE 20 26.578 -4.377 7.183
178 HE1 PHE 20 HE2 PHE 20 28.654 -0.588 9.617
179 HE2 PHE 20 HE1 PHE 20 25.193 -2.939 8.645
180 HZ PHE 20 HZ PHE 20 26.228 -1.043 9.864
181 HA PRO 21 HA PRO 21 33.668 -5.201 6.160
182 HB2 PRO 21 HB2 PRO 21 33.706 -7.529 4.779
183 HB3 PRO 21 HB1 PRO 21 32.890 -7.365 6.342
184 HG2 PRO 21 HG2 PRO 21 31.740 -7.500 3.617
185 HG3 PRO 21 HG1 PRO 21 31.084 -8.071 5.159
186 HD2 PRO 21 HD2 PRO 21 30.354 -5.685 3.857
187 HD3 PRO 21 HD1 PRO 21 30.002 -6.103 5.546
188 H VAL 22 HN VAL 22 32.478 -5.754 2.834
189 HA VAL 22 HA VAL 22 34.945 -5.828 1.556
190 HB VAL 22 HB VAL 22 32.469 -4.576 0.346
191 HG11 VAL 22 HG11 VAL 22 33.458 -5.935 -1.653
192 HG12 VAL 22 HG12 VAL 22 34.950 -5.919 -0.714
193 HG13 VAL 22 HG13 VAL 22 34.212 -4.400 -1.221
194 HG21 VAL 22 HG21 VAL 22 31.601 -6.566 1.212
195 HG22 VAL 22 HG22 VAL 22 33.135 -7.421 1.051
196 HG23 VAL 22 HG23 VAL 22 32.158 -7.084 -0.378
197 H LEU 23 HN LEU 23 33.286 -2.981 2.764
198 HA LEU 23 HA LEU 23 34.788 -1.094 1.172
199 HB2 LEU 23 HB2 LEU 23 34.147 0.544 2.992
200 HB3 LEU 23 HB1 LEU 23 32.797 -0.267 2.211
201 HG LEU 23 HG LEU 23 33.413 -1.983 4.300
202 HD11 LEU 23 HD11 LEU 23 34.896 0.078 5.037
203 HD12 LEU 23 HD12 LEU 23 33.925 -0.783 6.230
204 HD13 LEU 23 HD13 LEU 23 33.347 0.741 5.556
205 HD21 LEU 23 HD21 LEU 23 31.405 0.252 3.981
206 HD22 LEU 23 HD22 LEU 23 31.381 -0.813 5.385
207 HD23 LEU 23 HD23 LEU 23 31.152 -1.480 3.770
208 H ALA 24 HN ALA 24 35.176 -2.164 4.572
209 HA ALA 24 HA ALA 24 37.665 -0.878 5.055
210 HB1 ALA 24 HB1 ALA 24 36.025 -2.565 6.513
211 HB2 ALA 24 HB2 ALA 24 37.620 -2.014 7.026
212 HB3 ALA 24 HB3 ALA 24 37.444 -3.573 6.221
213 H LEU 25 HN LEU 25 36.863 -3.996 3.593
214 HA LEU 25 HA LEU 25 39.613 -4.793 3.150
215 HB2 LEU 25 HB2 LEU 25 36.919 -5.731 2.294
216 HB3 LEU 25 HB1 LEU 25 38.258 -6.134 1.218
217 HG LEU 25 HG LEU 25 39.498 -7.051 3.206
218 HD11 LEU 25 HD11 LEU 25 37.976 -7.616 5.183
219 HD12 LEU 25 HD12 LEU 25 36.850 -6.424 4.532
220 HD13 LEU 25 HD13 LEU 25 38.466 -5.928 5.040
221 HD21 LEU 25 HD21 LEU 25 38.040 -9.094 3.413
222 HD22 LEU 25 HD22 LEU 25 38.329 -8.592 1.748
223 HD23 LEU 25 HD23 LEU 25 36.788 -8.229 2.523
224 H MET 26 HN MET 26 37.112 -3.683 0.836
225 HA MET 26 HA MET 26 38.619 -3.242 -1.426
226 HB2 MET 26 HB2 MET 26 36.273 -2.750 -1.462
227 HB3 MET 26 HB1 MET 26 36.443 -1.515 -0.216
228 HG2 MET 26 HG2 MET 26 38.192 -0.928 -2.449
229 HG3 MET 26 HG1 MET 26 36.536 -1.136 -3.012
230 HE1 MET 26 HE1 MET 26 34.513 0.398 -0.646
231 HE2 MET 26 HE2 MET 26 34.676 -0.260 -2.270
232 HE3 MET 26 HE3 MET 26 34.523 1.482 -2.041
233 H ALA 27 HN ALA 27 38.359 -0.955 1.318
234 HA ALA 27 HA ALA 27 40.001 1.099 0.329
235 HB1 ALA 27 HB1 ALA 27 38.785 1.156 2.514
236 HB2 ALA 27 HB2 ALA 27 40.465 1.677 2.651
237 HB3 ALA 27 HB3 ALA 27 39.998 0.060 3.178
238 H HIS 28 HN HIS 28 40.894 -2.101 1.372
239 HA HIS 28 HA HIS 28 43.776 -1.400 0.942
240 HB2 HIS 28 HB2 HIS 28 43.714 -2.015 3.201
241 HB3 HIS 28 HB1 HIS 28 42.427 -3.192 2.946
242 HD1 HIS 28 HD1 HIS 28 46.099 -2.713 1.993
243 HD2 HIS 28 HD2 HIS 28 43.352 -5.779 2.700
244 HE1 HIS 28 HE1 HIS 28 47.389 -4.889 1.824
245 HE2 HIS 28 HE2 HIS 28 45.733 -6.764 2.259
246 H SER 29 HN SER 29 41.415 -4.081 0.804
247 HA SER 29 HA SER 29 42.862 -5.846 -0.859
248 HB2 SER 29 HB2 SER 29 39.880 -5.340 -0.994
249 HB3 SER 29 HB1 SER 29 40.723 -6.831 -1.400
250 HG SER 29 HG SER 29 41.168 -7.171 0.713
251 H LEU 30 HN LEU 30 41.172 -2.872 -1.636
252 HA LEU 30 HA LEU 30 42.000 -3.230 -4.495
253 HB2 LEU 30 HB2 LEU 30 39.520 -2.947 -4.127
254 HB3 LEU 30 HB1 LEU 30 39.857 -1.367 -3.421
255 HG LEU 30 HG LEU 30 41.205 -1.005 -5.675
256 HD11 LEU 30 HD11 LEU 30 39.087 -3.028 -6.473
257 HD12 LEU 30 HD12 LEU 30 40.826 -3.321 -6.481
258 HD13 LEU 30 HD13 LEU 30 40.128 -2.125 -7.572
259 HD21 LEU 30 HD21 LEU 30 39.325 0.376 -4.992
260 HD22 LEU 30 HD22 LEU 30 38.185 -0.900 -5.421
261 HD23 LEU 30 HD23 LEU 30 39.107 -0.081 -6.680
262 H ALA 31 HN ALA 31 41.464 -0.774 -1.970
263 HA ALA 31 HA ALA 31 42.634 1.200 -1.492
264 HB1 ALA 31 HB1 ALA 31 44.972 0.872 -1.182
265 HB2 ALA 31 HB2 ALA 31 45.049 -0.347 -2.450
266 HB3 ALA 31 HB3 ALA 31 44.244 -0.710 -0.926
267 H THR 32 HN THR 32 41.820 2.569 -3.160
268 HA THR 32 HA THR 32 43.746 2.962 -5.419
269 HB THR 32 HB THR 32 40.857 3.852 -5.498
270 HG1 THR 32 HG1 THR 32 41.753 1.344 -5.464
271 HG21 THR 32 HG21 THR 32 42.531 2.992 -7.834
272 HG22 THR 32 HG22 THR 32 42.818 4.576 -7.114
273 HG23 THR 32 HG23 THR 32 41.228 4.181 -7.765
274 H THR 33 HN THR 33 44.533 5.035 -5.641
275 HA THR 33 HA THR 33 44.964 7.282 -5.130
276 HB THR 33 HB THR 33 42.815 7.723 -3.188
277 HG1 THR 33 HG1 THR 33 41.620 6.288 -4.294
278 HG21 THR 33 HG21 THR 33 42.506 9.697 -4.422
279 HG22 THR 33 HG22 THR 33 43.100 8.969 -5.914
280 HG23 THR 33 HG23 THR 33 44.228 9.368 -4.618
Start of MODEL 7
1 H1 ASP 1 HT1 ASP 1 5.736 1.841 2.596
2 H2 ASP 1 HT2 ASP 1 6.152 0.935 1.221
3 H3 ASP 1 HT3 ASP 1 6.159 2.630 1.157
4 HA ASP 1 HA ASP 1 7.985 0.935 2.771
5 HB2 ASP 1 HB2 ASP 1 9.014 2.842 0.755
6 HB3 ASP 1 HB1 ASP 1 9.561 1.213 1.140
7 H VAL 2 HN VAL 2 8.836 2.017 4.513
8 HA VAL 2 HA VAL 2 8.091 4.615 5.336
9 HB VAL 2 HB VAL 2 10.215 4.545 6.712
10 HG11 VAL 2 HG11 VAL 2 8.057 3.467 7.423
11 HG12 VAL 2 HG12 VAL 2 9.488 2.684 8.092
12 HG13 VAL 2 HG13 VAL 2 8.640 1.952 6.730
13 HG21 VAL 2 HG21 VAL 2 11.767 3.379 5.336
14 HG22 VAL 2 HG22 VAL 2 10.630 2.070 5.018
15 HG23 VAL 2 HG23 VAL 2 11.369 2.227 6.608
16 H ARG 3 HN ARG 3 10.920 3.526 3.521
17 HA ARG 3 HA ARG 3 11.082 6.260 2.324
18 HB2 ARG 3 HB2 ARG 3 13.356 4.250 2.429
19 HB3 ARG 3 HB1 ARG 3 13.434 5.940 1.940
20 HG2 ARG 3 HG2 ARG 3 12.334 5.896 4.563
21 HG3 ARG 3 HG1 ARG 3 13.734 4.825 4.576
22 HD2 ARG 3 HD2 ARG 3 14.311 7.211 5.096
23 HD3 ARG 3 HD1 ARG 3 15.161 6.576 3.689
24 HE ARG 3 HE ARG 3 14.036 8.170 2.368
25 HH11 ARG 3 HH21 ARG 3 12.414 7.627 5.373
26 HH12 ARG 3 HH22 ARG 3 11.256 8.888 5.135
27 HH21 ARG 3 HH11 ARG 3 12.520 9.826 2.041
28 HH22 ARG 3 HH12 ARG 3 11.306 10.123 3.238
29 H LEU 4 HN LEU 4 10.543 6.208 0.170
30 HA LEU 4 HA LEU 4 9.228 4.263 -1.125
31 HB2 LEU 4 HB2 LEU 4 11.301 6.117 -2.319
32 HB3 LEU 4 HB1 LEU 4 10.342 5.030 -3.321
33 HG LEU 4 HG LEU 4 8.280 6.029 -2.156
34 HD11 LEU 4 HD11 LEU 4 8.982 7.243 -0.321
35 HD12 LEU 4 HD12 LEU 4 8.952 8.531 -1.525
36 HD13 LEU 4 HD13 LEU 4 10.479 7.758 -1.102
37 HD21 LEU 4 HD21 LEU 4 8.309 8.027 -3.644
38 HD22 LEU 4 HD22 LEU 4 8.860 6.568 -4.469
39 HD23 LEU 4 HD23 LEU 4 10.032 7.767 -3.920
40 H ALA 5 HN ALA 5 9.569 2.164 -1.603
41 HA ALA 5 HA ALA 5 11.657 0.601 -0.862
42 HB1 ALA 5 HB1 ALA 5 9.444 0.072 -2.275
43 HB2 ALA 5 HB2 ALA 5 10.775 -1.079 -2.156
44 HB3 ALA 5 HB3 ALA 5 10.623 -0.049 -3.581
45 H LYS 6 HN LYS 6 11.525 2.258 -4.011
46 HA LYS 6 HA LYS 6 13.964 1.312 -5.049
47 HB2 LYS 6 HB2 LYS 6 12.228 3.651 -5.544
48 HB3 LYS 6 HB1 LYS 6 13.916 3.887 -5.990
49 HG2 LYS 6 HG2 LYS 6 12.179 1.562 -6.888
50 HG3 LYS 6 HG1 LYS 6 12.575 2.968 -7.872
51 HD2 LYS 6 HD2 LYS 6 14.565 0.949 -6.769
52 HD3 LYS 6 HD1 LYS 6 14.056 1.102 -8.447
53 HE2 LYS 6 HE2 LYS 6 15.826 2.476 -8.700
54 HE3 LYS 6 HE1 LYS 6 14.874 3.677 -7.832
55 HZ1 LYS 6 HZ1 LYS 6 16.834 1.768 -6.679
56 HZ2 LYS 6 HZ2 LYS 6 15.833 2.769 -5.742
57 HZ3 LYS 6 HZ3 LYS 6 16.992 3.452 -6.778
58 H THR 7 HN THR 7 13.343 3.781 -2.635
59 HA THR 7 HA THR 7 16.090 4.765 -2.561
60 HB THR 7 HB THR 7 14.546 4.973 -0.069
61 HG1 THR 7 HG1 THR 7 12.783 4.919 -1.417
62 HG21 THR 7 HG21 THR 7 15.145 7.281 -0.251
63 HG22 THR 7 HG22 THR 7 15.447 7.139 -1.982
64 HG23 THR 7 HG23 THR 7 16.534 6.363 -0.829
65 H LEU 8 HN LEU 8 14.113 2.561 -0.578
66 HA LEU 8 HA LEU 8 16.204 1.541 1.092
67 HB2 LEU 8 HB2 LEU 8 13.591 0.450 0.059
68 HB3 LEU 8 HB1 LEU 8 14.699 -0.609 0.931
69 HG LEU 8 HG LEU 8 13.903 2.076 2.054
70 HD11 LEU 8 HD11 LEU 8 12.278 0.599 3.456
71 HD12 LEU 8 HD12 LEU 8 12.405 -0.538 2.116
72 HD13 LEU 8 HD13 LEU 8 11.778 1.087 1.837
73 HD21 LEU 8 HD21 LEU 8 14.419 0.835 4.196
74 HD22 LEU 8 HD22 LEU 8 15.808 1.012 3.123
75 HD23 LEU 8 HD23 LEU 8 14.951 -0.528 3.211
76 H GLY 9 HN GLY 9 14.999 0.576 -2.102
77 HA2 GLY 9 HA2 GLY 9 16.796 -1.543 -2.669
78 HA3 GLY 9 HA1 GLY 9 16.103 -0.471 -3.882
79 H LEU 10 HN LEU 10 17.125 1.965 -3.278
80 HA LEU 10 HA LEU 10 19.809 1.910 -4.239
81 HB2 LEU 10 HB2 LEU 10 18.070 3.963 -2.920
82 HB3 LEU 10 HB1 LEU 10 19.799 4.284 -3.034
83 HG LEU 10 HG LEU 10 18.460 3.279 -5.499
84 HD11 LEU 10 HD11 LEU 10 16.811 4.907 -4.755
85 HD12 LEU 10 HD12 LEU 10 17.748 5.611 -6.075
86 HD13 LEU 10 HD13 LEU 10 18.082 6.080 -4.409
87 HD21 LEU 10 HD21 LEU 10 20.899 3.841 -5.342
88 HD22 LEU 10 HD22 LEU 10 20.452 5.513 -4.996
89 HD23 LEU 10 HD23 LEU 10 20.048 4.798 -6.556
90 H VAL 11 HN VAL 11 18.546 2.348 -0.914
91 HA VAL 11 HA VAL 11 21.069 2.443 0.398
92 HB VAL 11 HB VAL 11 18.535 1.136 1.449
93 HG11 VAL 11 HG11 VAL 11 19.490 1.974 3.645
94 HG12 VAL 11 HG12 VAL 11 20.978 2.344 2.776
95 HG13 VAL 11 HG13 VAL 11 20.413 0.679 2.886
96 HG21 VAL 11 HG21 VAL 11 18.658 3.681 2.509
97 HG22 VAL 11 HG22 VAL 11 17.642 3.207 1.150
98 HG23 VAL 11 HG23 VAL 11 19.217 3.942 0.857
99 H LEU 12 HN LEU 12 18.954 -0.372 -0.250
100 HA LEU 12 HA LEU 12 20.662 -2.398 0.727
101 HB2 LEU 12 HB2 LEU 12 18.724 -2.408 -1.601
102 HB3 LEU 12 HB1 LEU 12 19.529 -3.863 -1.014
103 HG LEU 12 HG LEU 12 17.922 -2.056 0.808
104 HD11 LEU 12 HD11 LEU 12 17.032 -4.422 -0.860
105 HD12 LEU 12 HD12 LEU 12 16.333 -2.803 -0.819
106 HD13 LEU 12 HD13 LEU 12 16.149 -3.877 0.567
107 HD21 LEU 12 HD21 LEU 12 17.777 -4.321 2.048
108 HD22 LEU 12 HD22 LEU 12 19.329 -3.488 2.076
109 HD23 LEU 12 HD23 LEU 12 19.077 -4.845 0.978
110 H ALA 13 HN ALA 13 20.686 -0.687 -2.361
111 HA ALA 13 HA ALA 13 22.844 -2.363 -3.428
112 HB1 ALA 13 HB1 ALA 13 22.689 -1.016 -5.390
113 HB2 ALA 13 HB2 ALA 13 21.918 0.306 -4.511
114 HB3 ALA 13 HB3 ALA 13 21.030 -1.190 -4.814
115 H VAL 14 HN VAL 14 22.490 0.936 -2.152
116 HA VAL 14 HA VAL 14 25.215 1.688 -2.616
117 HB VAL 14 HB VAL 14 23.169 2.744 -0.639
118 HG11 VAL 14 HG11 VAL 14 25.326 3.418 0.180
119 HG12 VAL 14 HG12 VAL 14 24.675 4.802 -0.698
120 HG13 VAL 14 HG13 VAL 14 25.901 3.780 -1.449
121 HG21 VAL 14 HG21 VAL 14 22.595 4.313 -2.291
122 HG22 VAL 14 HG22 VAL 14 22.863 2.855 -3.245
123 HG23 VAL 14 HG23 VAL 14 24.112 4.094 -3.162
124 H LEU 15 HN LEU 15 23.592 0.554 0.394
125 HA LEU 15 HA LEU 15 26.074 0.570 1.854
126 HB2 LEU 15 HB2 LEU 15 24.792 0.115 3.646
127 HB3 LEU 15 HB1 LEU 15 23.418 0.324 2.565
128 HG LEU 15 HG LEU 15 24.802 -2.350 2.961
129 HD11 LEU 15 HD11 LEU 15 22.286 -1.324 4.303
130 HD12 LEU 15 HD12 LEU 15 23.855 -1.479 5.100
131 HD13 LEU 15 HD13 LEU 15 23.018 -2.918 4.513
132 HD21 LEU 15 HD21 LEU 15 23.378 -1.915 0.901
133 HD22 LEU 15 HD22 LEU 15 22.014 -1.677 1.994
134 HD23 LEU 15 HD23 LEU 15 22.824 -3.243 1.923
135 H LEU 16 HN LEU 16 25.085 -1.357 -0.648
136 HA LEU 16 HA LEU 16 26.466 -3.803 0.271
137 HB2 LEU 16 HB2 LEU 16 24.629 -3.173 -1.826
138 HB3 LEU 16 HB1 LEU 16 26.122 -3.733 -2.580
139 HG LEU 16 HG LEU 16 24.732 -5.198 -0.319
140 HD11 LEU 16 HD11 LEU 16 23.367 -6.216 -1.793
141 HD12 LEU 16 HD12 LEU 16 24.685 -6.487 -2.930
142 HD13 LEU 16 HD13 LEU 16 23.816 -4.954 -2.938
143 HD21 LEU 16 HD21 LEU 16 27.192 -5.597 -0.646
144 HD22 LEU 16 HD22 LEU 16 26.844 -6.124 -2.293
145 HD23 LEU 16 HD23 LEU 16 26.209 -7.035 -0.922
146 H ILE 17 HN ILE 17 27.154 -0.782 -1.159
147 HA ILE 17 HA ILE 17 29.910 -1.713 -1.853
148 HB ILE 17 HB ILE 17 28.313 -1.184 -3.811
149 HG12 ILE 17 HG12 ILE 17 30.813 0.519 -3.722
150 HG13 ILE 17 HG11 ILE 17 30.876 -1.241 -3.849
151 HG21 ILE 17 HG21 ILE 17 28.926 1.657 -2.956
152 HG22 ILE 17 HG22 ILE 17 27.365 0.868 -2.730
153 HG23 ILE 17 HG23 ILE 17 27.982 1.150 -4.357
154 HD11 ILE 17 HD11 ILE 17 29.971 -1.259 -5.973
155 HD12 ILE 17 HD12 ILE 17 30.817 0.288 -6.022
156 HD13 ILE 17 HD13 ILE 17 29.080 0.241 -5.720
157 H CYS 18 HN CYS 18 27.884 0.510 -0.209
158 HA CYS 18 HA CYS 18 30.288 2.074 0.613
159 HB2 CYS 18 HB2 CYS 18 28.172 3.075 -0.892
160 HB3 CYS 18 HB1 CYS 18 27.793 3.585 0.753
161 HG CYS 18 HG CYS 18 30.180 4.569 -0.921
162 H TRP 19 HN TRP 19 29.021 -0.217 1.839
163 HA TRP 19 HA TRP 19 27.274 0.219 3.965
164 HB2 TRP 19 HB2 TRP 19 29.390 -1.440 4.958
165 HB3 TRP 19 HB1 TRP 19 27.821 -1.938 4.341
166 HD1 TRP 19 HD1 TRP 19 28.129 -3.699 2.540
167 HE1 TRP 19 HE1 TRP 19 29.713 -4.039 0.534
168 HE3 TRP 19 HE3 TRP 19 31.209 0.325 3.155
169 HZ2 TRP 19 HZ2 TRP 19 31.982 -2.772 -0.654
170 HZ3 TRP 19 HZ3 TRP 19 33.056 0.743 1.565
171 HH2 TRP 19 HH2 TRP 19 33.446 -0.795 -0.337
172 H PHE 20 HN PHE 20 30.514 -0.289 5.203
173 HA PHE 20 HA PHE 20 30.893 2.481 5.989
174 HB2 PHE 20 HB2 PHE 20 30.735 0.742 8.406
175 HB3 PHE 20 HB1 PHE 20 30.407 2.452 8.237
176 HD1 PHE 20 HD2 PHE 20 29.019 -0.951 7.627
177 HD2 PHE 20 HD1 PHE 20 28.208 3.269 7.768
178 HE1 PHE 20 HE2 PHE 20 26.589 -1.412 7.490
179 HE2 PHE 20 HE1 PHE 20 25.778 2.802 7.634
180 HZ PHE 20 HZ PHE 20 24.968 0.463 7.493
181 HA PRO 21 HA PRO 21 34.546 0.076 7.717
182 HB2 PRO 21 HB2 PRO 21 34.552 -2.615 7.904
183 HB3 PRO 21 HB1 PRO 21 33.773 -1.592 9.121
184 HG2 PRO 21 HG2 PRO 21 32.555 -3.171 6.914
185 HG3 PRO 21 HG1 PRO 21 31.972 -2.892 8.563
186 HD2 PRO 21 HD2 PRO 21 31.049 -1.521 6.334
187 HD3 PRO 21 HD1 PRO 21 30.938 -0.934 8.003
188 H VAL 22 HN VAL 22 33.088 -1.971 5.203
189 HA VAL 22 HA VAL 22 35.499 -2.884 4.030
190 HB VAL 22 HB VAL 22 33.046 -2.366 2.370
191 HG11 VAL 22 HG11 VAL 22 34.971 -4.700 2.616
192 HG12 VAL 22 HG12 VAL 22 35.023 -3.461 1.363
193 HG13 VAL 22 HG13 VAL 22 33.658 -4.572 1.447
194 HG21 VAL 22 HG21 VAL 22 33.292 -4.136 4.777
195 HG22 VAL 22 HG22 VAL 22 32.377 -4.726 3.389
196 HG23 VAL 22 HG23 VAL 22 31.893 -3.232 4.193
197 H LEU 23 HN LEU 23 34.215 0.290 4.068
198 HA LEU 23 HA LEU 23 35.034 1.193 1.484
199 HB2 LEU 23 HB2 LEU 23 34.868 3.400 2.317
200 HB3 LEU 23 HB1 LEU 23 33.687 2.498 3.256
201 HG LEU 23 HG LEU 23 35.676 2.179 4.947
202 HD11 LEU 23 HD11 LEU 23 37.554 3.399 4.614
203 HD12 LEU 23 HD12 LEU 23 36.624 4.853 4.258
204 HD13 LEU 23 HD13 LEU 23 36.973 3.694 2.977
205 HD21 LEU 23 HD21 LEU 23 34.747 3.875 6.211
206 HD22 LEU 23 HD22 LEU 23 33.501 3.725 4.973
207 HD23 LEU 23 HD23 LEU 23 34.706 5.008 4.859
208 H ALA 24 HN ALA 24 36.835 0.851 4.534
209 HA ALA 24 HA ALA 24 39.336 1.830 3.413
210 HB1 ALA 24 HB1 ALA 24 38.622 0.217 5.873
211 HB2 ALA 24 HB2 ALA 24 39.219 1.874 5.789
212 HB3 ALA 24 HB3 ALA 24 40.299 0.528 5.431
213 H LEU 25 HN LEU 25 37.926 -1.378 4.007
214 HA LEU 25 HA LEU 25 40.066 -2.907 2.895
215 HB2 LEU 25 HB2 LEU 25 37.089 -3.442 3.093
216 HB3 LEU 25 HB1 LEU 25 38.230 -4.631 2.478
217 HG LEU 25 HG LEU 25 39.532 -4.290 4.669
218 HD11 LEU 25 HD11 LEU 25 37.655 -3.635 6.476
219 HD12 LEU 25 HD12 LEU 25 37.096 -2.643 5.132
220 HD13 LEU 25 HD13 LEU 25 38.729 -2.435 5.760
221 HD21 LEU 25 HD21 LEU 25 38.154 -6.288 4.182
222 HD22 LEU 25 HD22 LEU 25 36.731 -5.451 4.800
223 HD23 LEU 25 HD23 LEU 25 38.063 -5.847 5.886
224 H MET 26 HN MET 26 37.076 -1.645 1.446
225 HA MET 26 HA MET 26 37.507 -2.590 -1.183
226 HB2 MET 26 HB2 MET 26 35.384 -1.616 -0.363
227 HB3 MET 26 HB1 MET 26 36.139 -0.027 -0.303
228 HG2 MET 26 HG2 MET 26 36.284 -1.558 -2.873
229 HG3 MET 26 HG1 MET 26 34.749 -0.815 -2.432
230 HE1 MET 26 HE1 MET 26 35.602 -0.015 -4.907
231 HE2 MET 26 HE2 MET 26 35.912 1.720 -4.993
232 HE3 MET 26 HE3 MET 26 34.472 1.129 -4.168
233 H ALA 27 HN ALA 27 38.475 0.500 0.320
234 HA ALA 27 HA ALA 27 39.836 1.373 -2.117
235 HB1 ALA 27 HB1 ALA 27 38.794 2.968 -0.487
236 HB2 ALA 27 HB2 ALA 27 40.489 3.320 -0.820
237 HB3 ALA 27 HB3 ALA 27 40.036 2.519 0.684
238 H HIS 28 HN HIS 28 40.640 -0.713 0.436
239 HA HIS 28 HA HIS 28 43.537 -0.421 -0.248
240 HB2 HIS 28 HB2 HIS 28 42.730 0.526 2.058
241 HB3 HIS 28 HB1 HIS 28 42.660 -1.170 2.528
242 HD1 HIS 28 HD1 HIS 28 45.308 -0.513 0.063
243 HD2 HIS 28 HD2 HIS 28 44.970 -0.417 4.227
244 HE1 HIS 28 HE1 HIS 28 47.669 -0.476 0.981
245 HE2 HIS 28 HE2 HIS 28 47.479 -0.427 3.509
246 H SER 29 HN SER 29 41.490 -2.605 1.727
247 HA SER 29 HA SER 29 42.984 -4.955 1.287
248 HB2 SER 29 HB2 SER 29 39.991 -4.643 1.646
249 HB3 SER 29 HB1 SER 29 40.849 -6.163 1.798
250 HG SER 29 HG SER 29 40.790 -5.379 3.833
251 H LEU 30 HN LEU 30 40.234 -3.674 -0.593
252 HA LEU 30 HA LEU 30 40.815 -5.608 -2.780
253 HB2 LEU 30 HB2 LEU 30 38.665 -3.507 -2.395
254 HB3 LEU 30 HB1 LEU 30 38.884 -4.373 -3.911
255 HG LEU 30 HG LEU 30 38.664 -6.533 -2.616
256 HD11 LEU 30 HD11 LEU 30 37.317 -6.053 -0.386
257 HD12 LEU 30 HD12 LEU 30 38.211 -4.535 -0.426
258 HD13 LEU 30 HD13 LEU 30 39.079 -6.070 -0.378
259 HD21 LEU 30 HD21 LEU 30 36.341 -4.581 -2.526
260 HD22 LEU 30 HD22 LEU 30 36.196 -6.333 -2.381
261 HD23 LEU 30 HD23 LEU 30 36.778 -5.617 -3.885
262 H ALA 31 HN ALA 31 41.680 -2.508 -1.716
263 HA ALA 31 HA ALA 31 42.757 -0.685 -2.748
264 HB1 ALA 31 HB1 ALA 31 43.968 -2.769 -4.572
265 HB2 ALA 31 HB2 ALA 31 44.405 -2.678 -2.866
266 HB3 ALA 31 HB3 ALA 31 44.716 -1.306 -3.929
267 H THR 32 HN THR 32 40.155 -1.216 -3.821
268 HA THR 32 HA THR 32 40.187 -1.314 -6.692
269 HB THR 32 HB THR 32 37.953 0.152 -5.406
270 HG1 THR 32 HG1 THR 32 38.420 -1.187 -3.699
271 HG21 THR 32 HG21 THR 32 38.073 -2.424 -6.999
272 HG22 THR 32 HG22 THR 32 37.939 -0.820 -7.717
273 HG23 THR 32 HG23 THR 32 36.641 -1.441 -6.698
274 H THR 33 HN THR 33 42.151 0.374 -6.472
275 HA THR 33 HA THR 33 41.325 3.171 -6.270
276 HB THR 33 HB THR 33 43.646 3.652 -6.977
277 HG1 THR 33 HG1 THR 33 43.498 1.597 -8.334
278 HG21 THR 33 HG21 THR 33 44.812 2.322 -5.147
279 HG22 THR 33 HG22 THR 33 43.285 1.473 -4.905
280 HG23 THR 33 HG23 THR 33 43.381 3.213 -4.631
Start of MODEL 8
1 H1 ASP 1 HT1 ASP 1 6.772 -0.564 -1.034
2 H2 ASP 1 HT2 ASP 1 8.319 -0.741 -1.712
3 H3 ASP 1 HT3 ASP 1 7.908 0.687 -0.879
4 HA ASP 1 HA ASP 1 7.761 -1.877 0.539
5 HB2 ASP 1 HB2 ASP 1 10.303 -0.245 0.282
6 HB3 ASP 1 HB1 ASP 1 10.100 -1.795 1.094
7 H VAL 2 HN VAL 2 9.394 -0.780 2.652
8 HA VAL 2 HA VAL 2 7.661 1.000 4.074
9 HB VAL 2 HB VAL 2 9.995 1.764 5.090
10 HG11 VAL 2 HG11 VAL 2 8.501 0.408 6.375
11 HG12 VAL 2 HG12 VAL 2 10.055 -0.426 6.398
12 HG13 VAL 2 HG13 VAL 2 8.765 -0.991 5.335
13 HG21 VAL 2 HG21 VAL 2 10.798 -0.862 3.812
14 HG22 VAL 2 HG22 VAL 2 11.818 0.262 4.707
15 HG23 VAL 2 HG23 VAL 2 11.220 0.698 3.108
16 H ARG 3 HN ARG 3 10.202 1.389 1.744
17 HA ARG 3 HA ARG 3 9.133 4.074 1.045
18 HB2 ARG 3 HB2 ARG 3 12.031 3.292 0.606
19 HB3 ARG 3 HB1 ARG 3 11.312 4.901 0.511
20 HG2 ARG 3 HG2 ARG 3 10.767 4.660 2.997
21 HG3 ARG 3 HG1 ARG 3 11.809 3.237 2.992
22 HD2 ARG 3 HD2 ARG 3 13.742 4.479 2.626
23 HD3 ARG 3 HD1 ARG 3 12.864 5.795 1.838
24 HE ARG 3 HE ARG 3 12.192 5.485 4.672
25 HH11 ARG 3 HH21 ARG 3 14.392 6.799 2.356
26 HH12 ARG 3 HH22 ARG 3 14.842 8.144 3.345
27 HH21 ARG 3 HH11 ARG 3 12.766 7.211 5.981
28 HH22 ARG 3 HH12 ARG 3 13.917 8.379 5.418
29 H LEU 4 HN LEU 4 11.515 3.276 -1.088
30 HA LEU 4 HA LEU 4 9.773 1.396 -2.621
31 HB2 LEU 4 HB2 LEU 4 10.598 4.031 -3.401
32 HB3 LEU 4 HB1 LEU 4 11.431 2.868 -4.430
33 HG LEU 4 HG LEU 4 9.240 1.769 -4.909
34 HD11 LEU 4 HD11 LEU 4 7.981 2.351 -2.939
35 HD12 LEU 4 HD12 LEU 4 7.185 3.120 -4.309
36 HD13 LEU 4 HD13 LEU 4 8.206 4.074 -3.234
37 HD21 LEU 4 HD21 LEU 4 9.404 4.746 -5.484
38 HD22 LEU 4 HD22 LEU 4 8.338 3.619 -6.322
39 HD23 LEU 4 HD23 LEU 4 10.086 3.449 -6.467
40 H ALA 5 HN ALA 5 10.882 -0.360 -3.463
41 HA ALA 5 HA ALA 5 13.338 -1.204 -2.409
42 HB1 ALA 5 HB1 ALA 5 12.143 -1.852 -5.124
43 HB2 ALA 5 HB2 ALA 5 11.859 -2.735 -3.623
44 HB3 ALA 5 HB3 ALA 5 13.458 -2.750 -4.366
45 H LYS 6 HN LYS 6 12.682 1.003 -5.009
46 HA LYS 6 HA LYS 6 15.319 1.081 -6.171
47 HB2 LYS 6 HB2 LYS 6 13.118 2.074 -7.107
48 HB3 LYS 6 HB1 LYS 6 13.424 3.431 -6.021
49 HG2 LYS 6 HG2 LYS 6 15.885 3.026 -7.262
50 HG3 LYS 6 HG1 LYS 6 14.721 2.750 -8.558
51 HD2 LYS 6 HD2 LYS 6 13.906 4.918 -8.480
52 HD3 LYS 6 HD1 LYS 6 14.321 5.128 -6.778
53 HE2 LYS 6 HE2 LYS 6 16.442 5.822 -7.247
54 HE3 LYS 6 HE1 LYS 6 16.632 4.667 -8.566
55 HZ1 LYS 6 HZ1 LYS 6 14.982 7.128 -8.739
56 HZ2 LYS 6 HZ2 LYS 6 15.379 6.064 -10.004
57 HZ3 LYS 6 HZ3 LYS 6 16.583 7.015 -9.284
58 H THR 7 HN THR 7 13.679 3.206 -3.794
59 HA THR 7 HA THR 7 15.878 4.807 -3.045
60 HB THR 7 HB THR 7 14.539 4.149 -0.647
61 HG1 THR 7 HG1 THR 7 13.093 2.993 -2.123
62 HG21 THR 7 HG21 THR 7 15.160 6.396 -1.309
63 HG22 THR 7 HG22 THR 7 13.418 6.343 -1.040
64 HG23 THR 7 HG23 THR 7 14.056 6.336 -2.684
65 H LEU 8 HN LEU 8 14.829 1.697 -1.672
66 HA LEU 8 HA LEU 8 17.081 1.313 0.046
67 HB2 LEU 8 HB2 LEU 8 15.324 -0.727 -1.356
68 HB3 LEU 8 HB1 LEU 8 16.398 -1.065 -0.007
69 HG LEU 8 HG LEU 8 14.041 0.847 0.056
70 HD11 LEU 8 HD11 LEU 8 14.481 -1.919 1.202
71 HD12 LEU 8 HD12 LEU 8 13.234 -1.413 0.060
72 HD13 LEU 8 HD13 LEU 8 13.184 -0.849 1.731
73 HD21 LEU 8 HD21 LEU 8 14.614 0.632 2.607
74 HD22 LEU 8 HD22 LEU 8 15.552 1.746 1.615
75 HD23 LEU 8 HD23 LEU 8 16.215 0.165 2.032
76 H GLY 9 HN GLY 9 16.414 0.221 -3.278
77 HA2 GLY 9 HA2 GLY 9 18.756 -1.196 -3.833
78 HA3 GLY 9 HA1 GLY 9 17.891 -0.235 -5.036
79 H LEU 10 HN LEU 10 18.212 2.329 -3.969
80 HA LEU 10 HA LEU 10 20.872 3.012 -4.825
81 HB2 LEU 10 HB2 LEU 10 18.799 4.559 -3.247
82 HB3 LEU 10 HB1 LEU 10 20.348 5.247 -3.735
83 HG LEU 10 HG LEU 10 18.261 4.092 -5.617
84 HD11 LEU 10 HD11 LEU 10 18.315 6.582 -6.381
85 HD12 LEU 10 HD12 LEU 10 19.032 6.890 -4.800
86 HD13 LEU 10 HD13 LEU 10 17.422 6.180 -4.913
87 HD21 LEU 10 HD21 LEU 10 19.862 5.362 -7.272
88 HD22 LEU 10 HD22 LEU 10 20.304 3.748 -6.717
89 HD23 LEU 10 HD23 LEU 10 21.050 5.168 -5.982
90 H VAL 11 HN VAL 11 19.415 3.128 -1.546
91 HA VAL 11 HA VAL 11 21.783 3.612 -0.093
92 HB VAL 11 HB VAL 11 19.657 1.648 0.816
93 HG11 VAL 11 HG11 VAL 11 21.347 3.691 2.291
94 HG12 VAL 11 HG12 VAL 11 21.639 1.951 2.264
95 HG13 VAL 11 HG13 VAL 11 20.184 2.593 3.028
96 HG21 VAL 11 HG21 VAL 11 18.156 3.310 0.416
97 HG22 VAL 11 HG22 VAL 11 19.421 4.511 0.159
98 HG23 VAL 11 HG23 VAL 11 18.897 4.118 1.796
99 H LEU 12 HN LEU 12 20.427 0.551 -1.265
100 HA LEU 12 HA LEU 12 22.501 -1.186 -0.332
101 HB2 LEU 12 HB2 LEU 12 20.556 -2.243 -1.172
102 HB3 LEU 12 HB1 LEU 12 20.544 -1.260 -2.631
103 HG LEU 12 HG LEU 12 22.714 -2.412 -3.295
104 HD11 LEU 12 HD11 LEU 12 22.428 -3.454 -0.652
105 HD12 LEU 12 HD12 LEU 12 23.710 -3.781 -1.817
106 HD13 LEU 12 HD13 LEU 12 22.272 -4.799 -1.782
107 HD21 LEU 12 HD21 LEU 12 20.441 -3.029 -4.173
108 HD22 LEU 12 HD22 LEU 12 20.329 -4.243 -2.898
109 HD23 LEU 12 HD23 LEU 12 21.572 -4.381 -4.142
110 H ALA 13 HN ALA 13 22.059 0.294 -3.560
111 HA ALA 13 HA ALA 13 24.568 -0.448 -4.636
112 HB1 ALA 13 HB1 ALA 13 23.155 2.162 -5.244
113 HB2 ALA 13 HB2 ALA 13 22.601 0.609 -5.870
114 HB3 ALA 13 HB3 ALA 13 24.192 1.222 -6.316
115 H VAL 14 HN VAL 14 23.743 2.147 -2.428
116 HA VAL 14 HA VAL 14 26.392 3.409 -2.732
117 HB VAL 14 HB VAL 14 24.194 3.985 -0.711
118 HG11 VAL 14 HG11 VAL 14 25.615 6.308 -1.241
119 HG12 VAL 14 HG12 VAL 14 26.873 5.073 -1.229
120 HG13 VAL 14 HG13 VAL 14 25.829 5.282 0.178
121 HG21 VAL 14 HG21 VAL 14 23.085 5.165 -2.299
122 HG22 VAL 14 HG22 VAL 14 24.074 4.308 -3.480
123 HG23 VAL 14 HG23 VAL 14 24.573 5.895 -2.900
124 H LEU 15 HN LEU 15 24.574 1.595 -0.249
125 HA LEU 15 HA LEU 15 26.561 1.542 1.750
126 HB2 LEU 15 HB2 LEU 15 24.690 0.516 2.572
127 HB3 LEU 15 HB1 LEU 15 24.252 -0.179 1.014
128 HG LEU 15 HG LEU 15 26.705 -1.255 2.316
129 HD11 LEU 15 HD11 LEU 15 23.898 -1.853 3.295
130 HD12 LEU 15 HD12 LEU 15 25.182 -1.090 4.233
131 HD13 LEU 15 HD13 LEU 15 25.335 -2.775 3.733
132 HD21 LEU 15 HD21 LEU 15 25.114 -1.923 0.141
133 HD22 LEU 15 HD22 LEU 15 24.591 -3.066 1.377
134 HD23 LEU 15 HD23 LEU 15 26.289 -2.990 0.908
135 H LEU 16 HN LEU 16 26.154 -0.558 -1.102
136 HA LEU 16 HA LEU 16 28.193 -2.413 -0.699
137 HB2 LEU 16 HB2 LEU 16 27.254 -1.001 -3.191
138 HB3 LEU 16 HB1 LEU 16 28.555 -2.191 -3.256
139 HG LEU 16 HG LEU 16 25.864 -2.758 -1.984
140 HD11 LEU 16 HD11 LEU 16 25.630 -4.167 -4.173
141 HD12 LEU 16 HD12 LEU 16 26.819 -3.042 -4.826
142 HD13 LEU 16 HD13 LEU 16 25.271 -2.442 -4.234
143 HD21 LEU 16 HD21 LEU 16 26.792 -5.146 -2.678
144 HD22 LEU 16 HD22 LEU 16 27.335 -4.376 -1.187
145 HD23 LEU 16 HD23 LEU 16 28.347 -4.313 -2.629
146 H ILE 17 HN ILE 17 28.523 0.992 -1.046
147 HA ILE 17 HA ILE 17 31.487 0.669 -0.972
148 HB ILE 17 HB ILE 17 29.925 2.688 -2.623
149 HG12 ILE 17 HG12 ILE 17 31.855 1.302 -4.152
150 HG13 ILE 17 HG11 ILE 17 31.057 0.075 -3.171
151 HG21 ILE 17 HG21 ILE 17 31.770 3.964 -2.032
152 HG22 ILE 17 HG22 ILE 17 32.442 3.098 -3.411
153 HG23 ILE 17 HG23 ILE 17 32.798 2.554 -1.773
154 HD11 ILE 17 HD11 ILE 17 29.945 0.538 -5.395
155 HD12 ILE 17 HD12 ILE 17 29.548 2.145 -4.787
156 HD13 ILE 17 HD13 ILE 17 28.887 0.714 -3.995
157 H CYS 18 HN CYS 18 29.082 1.303 0.912
158 HA CYS 18 HA CYS 18 30.546 3.324 2.460
159 HB2 CYS 18 HB2 CYS 18 27.980 3.928 1.059
160 HB3 CYS 18 HB1 CYS 18 28.223 4.601 2.670
161 HG CYS 18 HG CYS 18 30.260 5.117 0.348
162 H TRP 19 HN TRP 19 29.030 0.532 2.385
163 HA TRP 19 HA TRP 19 27.081 0.110 4.230
164 HB2 TRP 19 HB2 TRP 19 29.218 -1.576 5.115
165 HB3 TRP 19 HB1 TRP 19 27.875 -1.992 4.055
166 HD1 TRP 19 HD1 TRP 19 28.779 -3.033 1.916
167 HE1 TRP 19 HE1 TRP 19 30.726 -2.535 0.296
168 HE3 TRP 19 HE3 TRP 19 30.983 0.860 4.355
169 HZ2 TRP 19 HZ2 TRP 19 32.923 -0.722 0.068
170 HZ3 TRP 19 HZ3 TRP 19 32.986 1.965 3.420
171 HH2 TRP 19 HH2 TRP 19 33.955 1.187 1.278
172 H PHE 20 HN PHE 20 30.306 -0.220 5.706
173 HA PHE 20 HA PHE 20 30.024 2.019 7.471
174 HB2 PHE 20 HB2 PHE 20 28.733 -0.485 8.299
175 HB3 PHE 20 HB1 PHE 20 29.872 0.143 9.492
176 HD1 PHE 20 HD2 PHE 20 29.727 2.949 9.482
177 HD2 PHE 20 HD1 PHE 20 26.541 0.163 8.718
178 HE1 PHE 20 HE2 PHE 20 28.065 4.661 10.150
179 HE2 PHE 20 HE1 PHE 20 24.884 1.881 9.386
180 HZ PHE 20 HZ PHE 20 25.645 4.129 10.104
181 HA PRO 21 HA PRO 21 33.756 -0.354 9.021
182 HB2 PRO 21 HB2 PRO 21 34.006 -3.027 8.775
183 HB3 PRO 21 HB1 PRO 21 32.964 -2.295 10.007
184 HG2 PRO 21 HG2 PRO 21 32.238 -3.599 7.443
185 HG3 PRO 21 HG1 PRO 21 31.379 -3.587 8.994
186 HD2 PRO 21 HD2 PRO 21 30.777 -1.963 6.773
187 HD3 PRO 21 HD1 PRO 21 30.204 -1.714 8.434
188 H VAL 22 HN VAL 22 32.740 -1.496 5.864
189 HA VAL 22 HA VAL 22 35.365 -2.350 5.024
190 HB VAL 22 HB VAL 22 33.245 -1.585 3.047
191 HG11 VAL 22 HG11 VAL 22 33.993 -3.745 2.043
192 HG12 VAL 22 HG12 VAL 22 35.142 -3.930 3.367
193 HG13 VAL 22 HG13 VAL 22 35.314 -2.592 2.230
194 HG21 VAL 22 HG21 VAL 22 32.344 -3.995 3.602
195 HG22 VAL 22 HG22 VAL 22 31.788 -2.622 4.556
196 HG23 VAL 22 HG23 VAL 22 33.044 -3.687 5.189
197 H LEU 23 HN LEU 23 34.371 0.751 5.621
198 HA LEU 23 HA LEU 23 35.288 2.113 3.258
199 HB2 LEU 23 HB2 LEU 23 35.911 3.813 5.411
200 HB3 LEU 23 HB1 LEU 23 34.459 3.852 4.417
201 HG LEU 23 HG LEU 23 33.487 2.096 5.997
202 HD11 LEU 23 HD11 LEU 23 36.000 2.891 7.488
203 HD12 LEU 23 HD12 LEU 23 35.408 1.267 7.139
204 HD13 LEU 23 HD13 LEU 23 34.582 2.268 8.329
205 HD21 LEU 23 HD21 LEU 23 33.043 3.844 7.785
206 HD22 LEU 23 HD22 LEU 23 32.714 4.368 6.135
207 HD23 LEU 23 HD23 LEU 23 34.191 4.889 6.946
208 H ALA 24 HN ALA 24 36.974 1.624 6.385
209 HA ALA 24 HA ALA 24 39.554 2.418 5.510
210 HB1 ALA 24 HB1 ALA 24 38.759 0.288 7.531
211 HB2 ALA 24 HB2 ALA 24 39.123 1.978 7.877
212 HB3 ALA 24 HB3 ALA 24 40.402 0.896 7.326
213 H LEU 25 HN LEU 25 37.960 -0.762 5.419
214 HA LEU 25 HA LEU 25 40.085 -2.178 4.145
215 HB2 LEU 25 HB2 LEU 25 37.084 -2.538 4.185
216 HB3 LEU 25 HB1 LEU 25 38.114 -3.611 3.245
217 HG LEU 25 HG LEU 25 39.468 -3.722 5.559
218 HD11 LEU 25 HD11 LEU 25 37.935 -2.129 6.685
219 HD12 LEU 25 HD12 LEU 25 37.926 -3.710 7.462
220 HD13 LEU 25 HD13 LEU 25 36.597 -3.240 6.404
221 HD21 LEU 25 HD21 LEU 25 38.160 -5.766 6.086
222 HD22 LEU 25 HD22 LEU 25 38.526 -5.654 4.365
223 HD23 LEU 25 HD23 LEU 25 36.912 -5.247 4.954
224 H MET 26 HN MET 26 37.228 -0.545 2.781
225 HA MET 26 HA MET 26 37.816 -0.868 0.033
226 HB2 MET 26 HB2 MET 26 35.688 0.014 0.940
227 HB3 MET 26 HB1 MET 26 36.514 1.482 1.440
228 HG2 MET 26 HG2 MET 26 36.532 0.562 -1.436
229 HG3 MET 26 HG1 MET 26 35.231 1.556 -0.791
230 HE1 MET 26 HE1 MET 26 35.319 3.594 0.197
231 HE2 MET 26 HE2 MET 26 36.500 4.876 -0.057
232 HE3 MET 26 HE3 MET 26 36.738 3.717 1.248
233 H ALA 27 HN ALA 27 38.864 1.625 2.345
234 HA ALA 27 HA ALA 27 40.509 2.926 0.270
235 HB1 ALA 27 HB1 ALA 27 39.218 4.149 2.124
236 HB2 ALA 27 HB2 ALA 27 40.893 4.641 1.874
237 HB3 ALA 27 HB3 ALA 27 40.477 3.580 3.220
238 H HIS 28 HN HIS 28 40.983 0.146 1.868
239 HA HIS 28 HA HIS 28 43.919 0.481 1.822
240 HB2 HIS 28 HB2 HIS 28 43.248 1.185 4.123
241 HB3 HIS 28 HB1 HIS 28 42.502 -0.394 4.361
242 HD1 HIS 28 HD1 HIS 28 45.693 -0.263 2.425
243 HD2 HIS 28 HD2 HIS 28 44.497 -0.984 6.357
244 HE1 HIS 28 HE1 HIS 28 47.686 -1.286 3.614
245 HE2 HIS 28 HE2 HIS 28 46.970 -1.731 6.009
246 H SER 29 HN SER 29 41.548 -1.844 3.175
247 HA SER 29 HA SER 29 43.013 -4.174 2.436
248 HB2 SER 29 HB2 SER 29 40.044 -3.746 2.827
249 HB3 SER 29 HB1 SER 29 40.768 -5.327 2.617
250 HG SER 29 HG SER 29 41.563 -5.232 4.580
251 H LEU 30 HN LEU 30 40.177 -2.726 0.826
252 HA LEU 30 HA LEU 30 40.780 -4.186 -1.664
253 HB2 LEU 30 HB2 LEU 30 38.496 -3.940 -1.601
254 HB3 LEU 30 HB1 LEU 30 38.580 -2.488 -0.613
255 HG LEU 30 HG LEU 30 39.315 -1.210 -2.643
256 HD11 LEU 30 HD11 LEU 30 39.844 -2.263 -4.562
257 HD12 LEU 30 HD12 LEU 30 38.318 -3.146 -4.561
258 HD13 LEU 30 HD13 LEU 30 39.708 -3.791 -3.690
259 HD21 LEU 30 HD21 LEU 30 36.878 -1.524 -1.861
260 HD22 LEU 30 HD22 LEU 30 36.726 -2.669 -3.194
261 HD23 LEU 30 HD23 LEU 30 37.123 -0.982 -3.519
262 H ALA 31 HN ALA 31 41.482 -1.182 -0.127
263 HA ALA 31 HA ALA 31 42.764 0.666 -0.801
264 HB1 ALA 31 HB1 ALA 31 44.395 -1.239 -1.029
265 HB2 ALA 31 HB2 ALA 31 44.727 0.114 -2.111
266 HB3 ALA 31 HB3 ALA 31 43.954 -1.343 -2.734
267 H THR 32 HN THR 32 40.274 0.691 -2.000
268 HA THR 32 HA THR 32 40.279 0.904 -4.846
269 HB THR 32 HB THR 32 38.614 2.844 -3.336
270 HG1 THR 32 HG1 THR 32 38.685 1.227 -1.810
271 HG21 THR 32 HG21 THR 32 36.864 1.357 -4.628
272 HG22 THR 32 HG22 THR 32 38.287 0.791 -5.502
273 HG23 THR 32 HG23 THR 32 37.868 2.505 -5.512
274 H THR 33 HN THR 33 41.631 2.233 -5.977
275 HA THR 33 HA THR 33 42.817 4.576 -4.662
276 HB THR 33 HB THR 33 44.157 4.690 -6.786
277 HG1 THR 33 HG1 THR 33 42.372 3.713 -8.007
278 HG21 THR 33 HG21 THR 33 44.429 1.846 -6.165
279 HG22 THR 33 HG22 THR 33 44.299 2.836 -4.713
280 HG23 THR 33 HG23 THR 33 45.567 3.163 -5.895
Start of MODEL 9
1 H1 ASP 1 HT1 ASP 1 7.237 0.173 -2.419
2 H2 ASP 1 HT2 ASP 1 8.872 -0.256 -2.556
3 H3 ASP 1 HT3 ASP 1 8.414 1.060 -1.577
4 HA ASP 1 HA ASP 1 7.124 -1.413 -0.880
5 HB2 ASP 1 HB2 ASP 1 10.072 -1.110 -0.274
6 HB3 ASP 1 HB1 ASP 1 9.042 -2.498 0.072
7 H VAL 2 HN VAL 2 8.957 -1.202 1.593
8 HA VAL 2 HA VAL 2 7.448 0.651 3.175
9 HB VAL 2 HB VAL 2 9.536 0.643 4.659
10 HG11 VAL 2 HG11 VAL 2 7.681 -0.984 4.930
11 HG12 VAL 2 HG12 VAL 2 9.243 -1.708 5.308
12 HG13 VAL 2 HG13 VAL 2 8.464 -2.053 3.767
13 HG21 VAL 2 HG21 VAL 2 11.322 -0.919 4.083
14 HG22 VAL 2 HG22 VAL 2 11.147 0.254 2.776
15 HG23 VAL 2 HG23 VAL 2 10.491 -1.374 2.594
16 H ARG 3 HN ARG 3 10.114 0.892 1.007
17 HA ARG 3 HA ARG 3 9.770 3.842 0.963
18 HB2 ARG 3 HB2 ARG 3 12.425 2.504 0.358
19 HB3 ARG 3 HB1 ARG 3 12.111 4.216 0.641
20 HG2 ARG 3 HG2 ARG 3 11.214 2.866 2.964
21 HG3 ARG 3 HG1 ARG 3 12.770 2.141 2.555
22 HD2 ARG 3 HD2 ARG 3 13.829 3.945 3.375
23 HD3 ARG 3 HD1 ARG 3 13.001 4.976 2.210
24 HE ARG 3 HE ARG 3 12.235 4.572 5.024
25 HH11 ARG 3 HH21 ARG 3 11.360 5.618 1.836
26 HH12 ARG 3 HH22 ARG 3 10.104 6.667 2.391
27 HH21 ARG 3 HH11 ARG 3 10.598 5.933 5.748
28 HH22 ARG 3 HH12 ARG 3 9.667 6.846 4.603
29 H LEU 4 HN LEU 4 12.001 3.141 -1.269
30 HA LEU 4 HA LEU 4 10.109 1.968 -3.251
31 HB2 LEU 4 HB2 LEU 4 11.971 4.331 -3.633
32 HB3 LEU 4 HB1 LEU 4 11.327 3.404 -4.984
33 HG LEU 4 HG LEU 4 9.879 5.294 -4.690
34 HD11 LEU 4 HD11 LEU 4 8.881 2.865 -4.853
35 HD12 LEU 4 HD12 LEU 4 7.817 4.229 -4.538
36 HD13 LEU 4 HD13 LEU 4 8.328 3.191 -3.212
37 HD21 LEU 4 HD21 LEU 4 8.997 4.705 -1.946
38 HD22 LEU 4 HD22 LEU 4 9.391 6.248 -2.697
39 HD23 LEU 4 HD23 LEU 4 10.676 5.233 -2.052
40 H ALA 5 HN ALA 5 11.048 0.308 -4.422
41 HA ALA 5 HA ALA 5 13.325 -1.056 -3.607
42 HB1 ALA 5 HB1 ALA 5 11.947 -0.819 -6.256
43 HB2 ALA 5 HB2 ALA 5 12.152 -2.232 -5.224
44 HB3 ALA 5 HB3 ALA 5 13.501 -1.646 -6.192
45 H LYS 6 HN LYS 6 13.148 1.792 -5.618
46 HA LYS 6 HA LYS 6 15.892 1.882 -6.472
47 HB2 LYS 6 HB2 LYS 6 13.582 3.440 -6.855
48 HB3 LYS 6 HB1 LYS 6 14.695 4.505 -5.999
49 HG2 LYS 6 HG2 LYS 6 15.689 2.881 -8.329
50 HG3 LYS 6 HG1 LYS 6 14.788 4.366 -8.624
51 HD2 LYS 6 HD2 LYS 6 16.604 5.600 -8.180
52 HD3 LYS 6 HD1 LYS 6 16.721 4.885 -6.568
53 HE2 LYS 6 HE2 LYS 6 18.797 4.361 -7.688
54 HE3 LYS 6 HE1 LYS 6 17.854 2.870 -7.673
55 HZ1 LYS 6 HZ1 LYS 6 18.241 2.874 -9.857
56 HZ2 LYS 6 HZ2 LYS 6 18.651 4.522 -9.898
57 HZ3 LYS 6 HZ3 LYS 6 17.023 4.047 -9.943
58 H THR 7 HN THR 7 14.179 3.664 -3.890
59 HA THR 7 HA THR 7 16.425 4.778 -2.602
60 HB THR 7 HB THR 7 14.982 4.778 -0.552
61 HG1 THR 7 HG1 THR 7 13.643 2.903 -2.128
62 HG21 THR 7 HG21 THR 7 12.986 5.934 -1.726
63 HG22 THR 7 HG22 THR 7 13.846 5.585 -3.225
64 HG23 THR 7 HG23 THR 7 14.594 6.603 -1.998
65 H LEU 8 HN LEU 8 14.748 1.742 -1.806
66 HA LEU 8 HA LEU 8 16.630 0.752 0.073
67 HB2 LEU 8 HB2 LEU 8 14.829 -0.710 -1.888
68 HB3 LEU 8 HB1 LEU 8 15.681 -1.475 -0.553
69 HG LEU 8 HG LEU 8 13.984 0.912 0.057
70 HD11 LEU 8 HD11 LEU 8 12.986 -1.828 -0.719
71 HD12 LEU 8 HD12 LEU 8 12.370 -0.248 -1.208
72 HD13 LEU 8 HD13 LEU 8 12.094 -0.833 0.431
73 HD21 LEU 8 HD21 LEU 8 13.656 -0.307 2.160
74 HD22 LEU 8 HD22 LEU 8 15.379 -0.230 1.790
75 HD23 LEU 8 HD23 LEU 8 14.479 -1.718 1.496
76 H GLY 9 HN GLY 9 16.331 0.128 -3.426
77 HA2 GLY 9 HA2 GLY 9 18.583 -1.492 -3.781
78 HA3 GLY 9 HA1 GLY 9 17.961 -0.400 -5.010
79 H LEU 10 HN LEU 10 18.363 2.056 -3.755
80 HA LEU 10 HA LEU 10 21.153 2.516 -4.290
81 HB2 LEU 10 HB2 LEU 10 19.011 4.197 -2.971
82 HB3 LEU 10 HB1 LEU 10 20.656 4.781 -3.229
83 HG LEU 10 HG LEU 10 18.944 3.668 -5.467
84 HD11 LEU 10 HD11 LEU 10 19.263 6.514 -4.484
85 HD12 LEU 10 HD12 LEU 10 17.764 5.607 -4.674
86 HD13 LEU 10 HD13 LEU 10 18.672 6.115 -6.096
87 HD21 LEU 10 HD21 LEU 10 21.603 5.047 -5.234
88 HD22 LEU 10 HD22 LEU 10 20.644 5.289 -6.692
89 HD23 LEU 10 HD23 LEU 10 21.151 3.661 -6.229
90 H VAL 11 HN VAL 11 19.313 2.720 -1.222
91 HA VAL 11 HA VAL 11 21.422 3.186 0.531
92 HB VAL 11 HB VAL 11 19.149 1.237 1.046
93 HG11 VAL 11 HG11 VAL 11 19.431 2.145 3.402
94 HG12 VAL 11 HG12 VAL 11 20.924 2.903 2.853
95 HG13 VAL 11 HG13 VAL 11 20.766 1.146 2.828
96 HG21 VAL 11 HG21 VAL 11 19.033 3.990 0.350
97 HG22 VAL 11 HG22 VAL 11 18.730 3.899 2.083
98 HG23 VAL 11 HG23 VAL 11 17.723 2.983 0.964
99 H LEU 12 HN LEU 12 20.280 -0.039 -0.518
100 HA LEU 12 HA LEU 12 22.363 -1.501 0.788
101 HB2 LEU 12 HB2 LEU 12 20.266 -2.044 -1.180
102 HB3 LEU 12 HB1 LEU 12 21.731 -2.973 -1.490
103 HG LEU 12 HG LEU 12 21.723 -3.701 0.909
104 HD11 LEU 12 HD11 LEU 12 20.502 -1.979 2.000
105 HD12 LEU 12 HD12 LEU 12 19.451 -3.393 2.066
106 HD13 LEU 12 HD13 LEU 12 19.146 -2.122 0.883
107 HD21 LEU 12 HD21 LEU 12 19.912 -5.316 0.655
108 HD22 LEU 12 HD22 LEU 12 20.685 -5.071 -0.909
109 HD23 LEU 12 HD23 LEU 12 19.137 -4.304 -0.563
110 H ALA 13 HN ALA 13 22.095 -0.395 -2.611
111 HA ALA 13 HA ALA 13 24.636 -1.298 -3.477
112 HB1 ALA 13 HB1 ALA 13 24.480 0.531 -5.179
113 HB2 ALA 13 HB2 ALA 13 23.071 1.159 -4.321
114 HB3 ALA 13 HB3 ALA 13 23.010 -0.438 -5.069
115 H VAL 14 HN VAL 14 23.718 1.584 -1.664
116 HA VAL 14 HA VAL 14 26.414 2.717 -1.832
117 HB VAL 14 HB VAL 14 24.139 3.494 0.027
118 HG11 VAL 14 HG11 VAL 14 25.343 5.424 0.485
119 HG12 VAL 14 HG12 VAL 14 26.224 5.368 -1.043
120 HG13 VAL 14 HG13 VAL 14 26.667 4.281 0.272
121 HG21 VAL 14 HG21 VAL 14 23.120 4.596 -1.682
122 HG22 VAL 14 HG22 VAL 14 24.070 3.557 -2.741
123 HG23 VAL 14 HG23 VAL 14 24.653 5.169 -2.337
124 H LEU 15 HN LEU 15 24.413 1.225 0.749
125 HA LEU 15 HA LEU 15 26.389 1.301 2.764
126 HB2 LEU 15 HB2 LEU 15 24.494 0.541 3.749
127 HB3 LEU 15 HB1 LEU 15 23.908 -0.223 2.275
128 HG LEU 15 HG LEU 15 26.261 -1.520 3.543
129 HD11 LEU 15 HD11 LEU 15 24.913 -0.888 5.522
130 HD12 LEU 15 HD12 LEU 15 24.890 -2.630 5.257
131 HD13 LEU 15 HD13 LEU 15 23.501 -1.648 4.790
132 HD21 LEU 15 HD21 LEU 15 25.331 -3.435 2.616
133 HD22 LEU 15 HD22 LEU 15 24.673 -2.217 1.525
134 HD23 LEU 15 HD23 LEU 15 23.679 -2.859 2.830
135 H LEU 16 HN LEU 16 25.807 -1.138 0.222
136 HA LEU 16 HA LEU 16 27.778 -3.017 0.934
137 HB2 LEU 16 HB2 LEU 16 26.796 -2.038 -1.746
138 HB3 LEU 16 HB1 LEU 16 28.048 -3.277 -1.634
139 HG LEU 16 HG LEU 16 25.460 -3.544 -0.094
140 HD11 LEU 16 HD11 LEU 16 24.501 -4.794 -1.929
141 HD12 LEU 16 HD12 LEU 16 25.968 -4.602 -2.887
142 HD13 LEU 16 HD13 LEU 16 24.956 -3.201 -2.531
143 HD21 LEU 16 HD21 LEU 16 26.058 -5.819 0.075
144 HD22 LEU 16 HD22 LEU 16 27.600 -4.984 0.262
145 HD23 LEU 16 HD23 LEU 16 27.179 -5.723 -1.283
146 H ILE 17 HN ILE 17 28.190 0.269 0.057
147 HA ILE 17 HA ILE 17 31.139 -0.163 0.031
148 HB ILE 17 HB ILE 17 29.739 1.889 -1.706
149 HG12 ILE 17 HG12 ILE 17 30.943 -0.714 -2.676
150 HG13 ILE 17 HG11 ILE 17 29.232 -0.571 -2.281
151 HG21 ILE 17 HG21 ILE 17 32.186 1.271 -2.826
152 HG22 ILE 17 HG22 ILE 17 32.533 1.170 -1.102
153 HG23 ILE 17 HG23 ILE 17 31.878 2.658 -1.783
154 HD11 ILE 17 HD11 ILE 17 29.542 -0.173 -4.670
155 HD12 ILE 17 HD12 ILE 17 30.741 1.073 -4.336
156 HD13 ILE 17 HD13 ILE 17 29.053 1.328 -3.888
157 H CYS 18 HN CYS 18 28.999 0.712 2.005
158 HA CYS 18 HA CYS 18 30.466 3.045 3.050
159 HB2 CYS 18 HB2 CYS 18 27.618 3.181 2.083
160 HB3 CYS 18 HB1 CYS 18 28.204 4.267 3.341
161 HG CYS 18 HG CYS 18 29.860 4.192 0.722
162 H TRP 19 HN TRP 19 28.469 0.317 3.425
163 HA TRP 19 HA TRP 19 26.975 0.117 5.550
164 HB2 TRP 19 HB2 TRP 19 29.115 -1.541 6.433
165 HB3 TRP 19 HB1 TRP 19 27.695 -2.009 5.504
166 HD1 TRP 19 HD1 TRP 19 28.433 -3.310 3.454
167 HE1 TRP 19 HE1 TRP 19 30.290 -3.065 1.676
168 HE3 TRP 19 HE3 TRP 19 30.895 0.765 5.291
169 HZ2 TRP 19 HZ2 TRP 19 32.505 -1.373 1.109
170 HZ3 TRP 19 HZ3 TRP 19 32.867 1.679 4.103
171 HH2 TRP 19 HH2 TRP 19 33.672 0.617 2.017
172 H PHE 20 HN PHE 20 30.208 -0.284 6.898
173 HA PHE 20 HA PHE 20 29.988 2.154 8.506
174 HB2 PHE 20 HB2 PHE 20 28.969 -0.388 9.494
175 HB3 PHE 20 HB1 PHE 20 30.265 0.228 10.520
176 HD1 PHE 20 HD2 PHE 20 30.141 2.702 11.242
177 HD2 PHE 20 HD1 PHE 20 26.798 0.518 9.655
178 HE1 PHE 20 HE2 PHE 20 28.592 4.355 12.241
179 HE2 PHE 20 HE1 PHE 20 25.244 2.167 10.664
180 HZ PHE 20 HZ PHE 20 26.141 4.087 11.961
181 HA PRO 21 HA PRO 21 34.090 0.266 9.759
182 HB2 PRO 21 HB2 PRO 21 34.569 -2.383 9.727
183 HB3 PRO 21 HB1 PRO 21 33.559 -1.639 10.983
184 HG2 PRO 21 HG2 PRO 21 32.758 -3.214 8.593
185 HG3 PRO 21 HG1 PRO 21 32.044 -3.172 10.210
186 HD2 PRO 21 HD2 PRO 21 31.060 -1.788 7.979
187 HD3 PRO 21 HD1 PRO 21 30.651 -1.453 9.673
188 H VAL 22 HN VAL 22 33.038 -1.755 7.028
189 HA VAL 22 HA VAL 22 35.476 -2.338 5.846
190 HB VAL 22 HB VAL 22 33.045 -1.528 4.246
191 HG11 VAL 22 HG11 VAL 22 34.112 -2.499 2.525
192 HG12 VAL 22 HG12 VAL 22 34.386 -3.966 3.466
193 HG13 VAL 22 HG13 VAL 22 35.541 -2.634 3.549
194 HG21 VAL 22 HG21 VAL 22 32.019 -2.952 5.770
195 HG22 VAL 22 HG22 VAL 22 33.498 -3.869 6.065
196 HG23 VAL 22 HG23 VAL 22 32.587 -4.117 4.575
197 H LEU 23 HN LEU 23 34.072 0.816 6.153
198 HA LEU 23 HA LEU 23 35.184 2.075 3.864
199 HB2 LEU 23 HB2 LEU 23 34.945 4.157 5.035
200 HB3 LEU 23 HB1 LEU 23 33.593 3.141 5.515
201 HG LEU 23 HG LEU 23 35.234 2.433 7.476
202 HD11 LEU 23 HD11 LEU 23 37.097 3.682 7.742
203 HD12 LEU 23 HD12 LEU 23 36.173 5.177 7.608
204 HD13 LEU 23 HD13 LEU 23 36.783 4.386 6.155
205 HD21 LEU 23 HD21 LEU 23 33.992 5.194 7.555
206 HD22 LEU 23 HD22 LEU 23 34.145 4.036 8.875
207 HD23 LEU 23 HD23 LEU 23 33.017 3.726 7.558
208 H ALA 24 HN ALA 24 36.660 1.257 6.985
209 HA ALA 24 HA ALA 24 39.191 2.565 6.306
210 HB1 ALA 24 HB1 ALA 24 38.917 2.390 8.629
211 HB2 ALA 24 HB2 ALA 24 39.981 1.025 8.287
212 HB3 ALA 24 HB3 ALA 24 38.255 0.758 8.527
213 H LEU 25 HN LEU 25 37.867 -0.701 6.269
214 HA LEU 25 HA LEU 25 40.327 -1.953 5.370
215 HB2 LEU 25 HB2 LEU 25 37.431 -2.841 5.456
216 HB3 LEU 25 HB1 LEU 25 38.690 -3.850 4.754
217 HG LEU 25 HG LEU 25 38.170 -4.340 7.191
218 HD11 LEU 25 HD11 LEU 25 40.978 -3.445 6.477
219 HD12 LEU 25 HD12 LEU 25 40.294 -5.050 6.229
220 HD13 LEU 25 HD13 LEU 25 40.568 -4.451 7.864
221 HD21 LEU 25 HD21 LEU 25 37.909 -1.885 7.800
222 HD22 LEU 25 HD22 LEU 25 39.667 -1.754 7.699
223 HD23 LEU 25 HD23 LEU 25 38.928 -2.822 8.894
224 H MET 26 HN MET 26 37.248 -1.124 3.767
225 HA MET 26 HA MET 26 37.787 -1.885 1.157
226 HB2 MET 26 HB2 MET 26 35.658 -0.863 1.867
227 HB3 MET 26 HB1 MET 26 36.460 0.696 2.048
228 HG2 MET 26 HG2 MET 26 36.588 -0.763 -0.585
229 HG3 MET 26 HG1 MET 26 35.167 0.194 -0.171
230 HE1 MET 26 HE1 MET 26 37.081 0.788 -2.713
231 HE2 MET 26 HE2 MET 26 36.938 2.541 -2.636
232 HE3 MET 26 HE3 MET 26 35.542 1.535 -2.264
233 H ALA 27 HN ALA 27 38.881 1.089 2.771
234 HA ALA 27 HA ALA 27 40.130 2.302 0.523
235 HB1 ALA 27 HB1 ALA 27 40.864 2.408 3.464
236 HB2 ALA 27 HB2 ALA 27 39.831 3.541 2.591
237 HB3 ALA 27 HB3 ALA 27 41.555 3.462 2.231
238 H HIS 28 HN HIS 28 41.024 -0.443 2.420
239 HA HIS 28 HA HIS 28 43.646 -0.587 0.973
240 HB2 HIS 28 HB2 HIS 28 44.231 -0.259 3.254
241 HB3 HIS 28 HB1 HIS 28 42.930 -1.300 3.826
242 HD1 HIS 28 HD1 HIS 28 45.679 -1.927 1.241
243 HD2 HIS 28 HD2 HIS 28 44.166 -3.575 4.770
244 HE1 HIS 28 HE1 HIS 28 46.985 -4.063 1.661
245 HE2 HIS 28 HE2 HIS 28 46.069 -5.077 3.800
246 H SER 29 HN SER 29 41.554 -2.740 2.903
247 HA SER 29 HA SER 29 42.068 -5.177 1.674
248 HB2 SER 29 HB2 SER 29 39.324 -4.183 2.499
249 HB3 SER 29 HB1 SER 29 39.839 -5.861 2.405
250 HG SER 29 HG SER 29 41.450 -5.291 4.006
251 H LEU 30 HN LEU 30 40.063 -2.521 0.499
252 HA LEU 30 HA LEU 30 39.797 -4.010 -2.085
253 HB2 LEU 30 HB2 LEU 30 37.746 -2.878 -0.503
254 HB3 LEU 30 HB1 LEU 30 37.954 -1.781 -1.866
255 HG LEU 30 HG LEU 30 37.630 -4.783 -2.138
256 HD11 LEU 30 HD11 LEU 30 35.338 -4.213 -2.955
257 HD12 LEU 30 HD12 LEU 30 35.612 -2.541 -2.462
258 HD13 LEU 30 HD13 LEU 30 35.571 -3.823 -1.251
259 HD21 LEU 30 HD21 LEU 30 37.053 -4.002 -4.538
260 HD22 LEU 30 HD22 LEU 30 38.748 -3.944 -4.062
261 HD23 LEU 30 HD23 LEU 30 37.788 -2.469 -4.077
262 H ALA 31 HN ALA 31 42.091 -2.510 -1.322
263 HA ALA 31 HA ALA 31 42.138 0.175 -2.198
264 HB1 ALA 31 HB1 ALA 31 44.182 -0.409 -1.297
265 HB2 ALA 31 HB2 ALA 31 44.576 -0.623 -3.004
266 HB3 ALA 31 HB3 ALA 31 44.153 -2.020 -2.012
267 H THR 32 HN THR 32 41.102 0.712 -4.068
268 HA THR 32 HA THR 32 40.758 -0.975 -6.300
269 HB THR 32 HB THR 32 40.241 1.184 -7.532
270 HG1 THR 32 HG1 THR 32 41.823 2.226 -5.854
271 HG21 THR 32 HG21 THR 32 38.223 1.530 -6.347
272 HG22 THR 32 HG22 THR 32 38.966 1.138 -4.799
273 HG23 THR 32 HG23 THR 32 38.660 -0.136 -5.978
274 H THR 33 HN THR 33 42.411 -1.843 -7.438
275 HA THR 33 HA THR 33 45.047 -0.762 -7.614
276 HB THR 33 HB THR 33 45.306 -2.455 -9.465
277 HG1 THR 33 HG1 THR 33 43.119 -2.229 -10.194
278 HG21 THR 33 HG21 THR 33 45.071 -4.359 -8.017
279 HG22 THR 33 HG22 THR 33 43.817 -3.558 -7.071
280 HG23 THR 33 HG23 THR 33 45.483 -2.989 -6.987
Start of MODEL 10
1 H1 ASP 1 HT1 ASP 1 6.948 -1.851 2.347
2 H2 ASP 1 HT2 ASP 1 7.070 -1.522 0.679
3 H3 ASP 1 HT3 ASP 1 6.182 -0.488 1.693
4 HA ASP 1 HA ASP 1 8.928 -0.847 2.500
5 HB2 ASP 1 HB2 ASP 1 8.377 0.875 0.078
6 HB3 ASP 1 HB1 ASP 1 9.935 0.389 0.740
7 H VAL 2 HN VAL 2 9.576 1.153 3.531
8 HA VAL 2 HA VAL 2 7.514 2.773 4.650
9 HB VAL 2 HB VAL 2 9.474 4.465 4.948
10 HG11 VAL 2 HG11 VAL 2 8.872 3.138 6.813
11 HG12 VAL 2 HG12 VAL 2 10.592 2.818 6.599
12 HG13 VAL 2 HG13 VAL 2 9.400 1.648 6.032
13 HG21 VAL 2 HG21 VAL 2 10.727 3.253 2.992
14 HG22 VAL 2 HG22 VAL 2 11.168 2.073 4.225
15 HG23 VAL 2 HG23 VAL 2 11.653 3.759 4.402
16 H ARG 3 HN ARG 3 9.332 2.972 1.669
17 HA ARG 3 HA ARG 3 7.337 4.935 0.688
18 HB2 ARG 3 HB2 ARG 3 9.821 5.501 -0.634
19 HB3 ARG 3 HB1 ARG 3 8.840 6.583 0.352
20 HG2 ARG 3 HG2 ARG 3 9.945 5.468 2.390
21 HG3 ARG 3 HG1 ARG 3 11.102 4.788 1.242
22 HD2 ARG 3 HD2 ARG 3 12.055 6.836 0.772
23 HD3 ARG 3 HD1 ARG 3 10.557 7.721 1.054
24 HE ARG 3 HE ARG 3 12.604 7.170 3.032
25 HH11 ARG 3 HH21 ARG 3 9.224 7.579 2.466
26 HH12 ARG 3 HH22 ARG 3 8.885 8.112 4.078
27 HH21 ARG 3 HH11 ARG 3 12.182 7.865 5.130
28 HH22 ARG 3 HH12 ARG 3 10.562 8.277 5.589
29 H LEU 4 HN LEU 4 10.283 3.484 -0.693
30 HA LEU 4 HA LEU 4 8.872 1.388 -2.078
31 HB2 LEU 4 HB2 LEU 4 8.454 3.731 -3.345
32 HB3 LEU 4 HB1 LEU 4 10.017 3.321 -4.050
33 HG LEU 4 HG LEU 4 9.077 1.052 -4.629
34 HD11 LEU 4 HD11 LEU 4 7.250 0.742 -3.172
35 HD12 LEU 4 HD12 LEU 4 6.472 1.112 -4.712
36 HD13 LEU 4 HD13 LEU 4 6.618 2.361 -3.476
37 HD21 LEU 4 HD21 LEU 4 9.149 2.598 -6.426
38 HD22 LEU 4 HD22 LEU 4 7.870 3.594 -5.727
39 HD23 LEU 4 HD23 LEU 4 7.482 2.021 -6.422
40 H ALA 5 HN ALA 5 10.373 -0.124 -2.808
41 HA ALA 5 HA ALA 5 12.888 -0.329 -1.749
42 HB1 ALA 5 HB1 ALA 5 13.497 -1.731 -3.797
43 HB2 ALA 5 HB2 ALA 5 11.924 -1.279 -4.456
44 HB3 ALA 5 HB3 ALA 5 12.019 -2.204 -2.956
45 H LYS 6 HN LYS 6 12.187 1.154 -4.895
46 HA LYS 6 HA LYS 6 14.731 1.866 -5.752
47 HB2 LYS 6 HB2 LYS 6 12.213 2.418 -6.616
48 HB3 LYS 6 HB1 LYS 6 12.674 3.999 -5.991
49 HG2 LYS 6 HG2 LYS 6 14.617 2.514 -7.730
50 HG3 LYS 6 HG1 LYS 6 13.244 3.319 -8.486
51 HD2 LYS 6 HD2 LYS 6 14.482 5.207 -8.426
52 HD3 LYS 6 HD1 LYS 6 14.185 5.224 -6.690
53 HE2 LYS 6 HE2 LYS 6 16.282 3.389 -7.031
54 HE3 LYS 6 HE1 LYS 6 16.663 4.716 -8.122
55 HZ1 LYS 6 HZ1 LYS 6 16.290 4.769 -5.200
56 HZ2 LYS 6 HZ2 LYS 6 16.052 6.182 -6.122
57 HZ3 LYS 6 HZ3 LYS 6 17.561 5.407 -6.130
58 H THR 7 HN THR 7 12.718 3.499 -3.332
59 HA THR 7 HA THR 7 14.641 5.648 -2.878
60 HB THR 7 HB THR 7 12.949 5.184 -0.600
61 HG1 THR 7 HG1 THR 7 11.708 3.927 -2.028
62 HG21 THR 7 HG21 THR 7 11.878 7.331 -1.578
63 HG22 THR 7 HG22 THR 7 13.138 7.226 -2.810
64 HG23 THR 7 HG23 THR 7 13.578 7.393 -1.110
65 H LEU 8 HN LEU 8 14.440 2.385 -2.041
66 HA LEU 8 HA LEU 8 16.128 2.733 0.389
67 HB2 LEU 8 HB2 LEU 8 14.503 0.393 -0.655
68 HB3 LEU 8 HB1 LEU 8 15.477 0.349 0.804
69 HG LEU 8 HG LEU 8 13.316 2.417 0.389
70 HD11 LEU 8 HD11 LEU 8 11.966 0.903 1.941
71 HD12 LEU 8 HD12 LEU 8 13.127 -0.367 1.556
72 HD13 LEU 8 HD13 LEU 8 12.138 0.340 0.278
73 HD21 LEU 8 HD21 LEU 8 13.894 1.484 3.097
74 HD22 LEU 8 HD22 LEU 8 13.899 3.126 2.457
75 HD23 LEU 8 HD23 LEU 8 15.334 2.119 2.304
76 H GLY 9 HN GLY 9 15.877 0.988 -2.677
77 HA2 GLY 9 HA2 GLY 9 18.102 -0.651 -2.615
78 HA3 GLY 9 HA1 GLY 9 17.570 0.167 -4.081
79 H LEU 10 HN LEU 10 18.084 2.783 -3.612
80 HA LEU 10 HA LEU 10 20.859 3.055 -4.077
81 HB2 LEU 10 HB2 LEU 10 18.589 4.836 -3.665
82 HB3 LEU 10 HB1 LEU 10 20.051 5.486 -2.926
83 HG LEU 10 HG LEU 10 21.267 5.130 -5.059
84 HD11 LEU 10 HD11 LEU 10 18.678 3.854 -5.756
85 HD12 LEU 10 HD12 LEU 10 20.307 3.483 -6.318
86 HD13 LEU 10 HD13 LEU 10 19.420 4.835 -7.021
87 HD21 LEU 10 HD21 LEU 10 18.706 6.741 -5.338
88 HD22 LEU 10 HD22 LEU 10 20.166 6.952 -6.300
89 HD23 LEU 10 HD23 LEU 10 20.190 7.302 -4.575
90 H VAL 11 HN VAL 11 19.084 3.896 -1.081
91 HA VAL 11 HA VAL 11 21.295 4.479 0.533
92 HB VAL 11 HB VAL 11 19.064 2.853 1.711
93 HG11 VAL 11 HG11 VAL 11 19.330 4.322 3.548
94 HG12 VAL 11 HG12 VAL 11 20.147 5.541 2.568
95 HG13 VAL 11 HG13 VAL 11 20.975 4.037 2.980
96 HG21 VAL 11 HG21 VAL 11 18.791 5.569 0.401
97 HG22 VAL 11 HG22 VAL 11 17.706 5.039 1.685
98 HG23 VAL 11 HG23 VAL 11 17.781 4.142 0.169
99 H LEU 12 HN LEU 12 19.770 1.303 -0.023
100 HA LEU 12 HA LEU 12 21.660 -0.226 1.504
101 HB2 LEU 12 HB2 LEU 12 19.949 -0.946 -0.894
102 HB3 LEU 12 HB1 LEU 12 20.921 -2.121 -0.004
103 HG LEU 12 HG LEU 12 19.027 -0.334 1.500
104 HD11 LEU 12 HD11 LEU 12 17.646 -1.266 -0.283
105 HD12 LEU 12 HD12 LEU 12 17.276 -2.088 1.234
106 HD13 LEU 12 HD13 LEU 12 18.288 -2.879 0.028
107 HD21 LEU 12 HD21 LEU 12 20.394 -1.644 2.918
108 HD22 LEU 12 HD22 LEU 12 20.284 -3.057 1.867
109 HD23 LEU 12 HD23 LEU 12 18.890 -2.559 2.825
110 H ALA 13 HN ALA 13 21.452 0.268 -2.038
111 HA ALA 13 HA ALA 13 23.913 -0.916 -2.747
112 HB1 ALA 13 HB1 ALA 13 22.140 -0.059 -4.334
113 HB2 ALA 13 HB2 ALA 13 23.786 0.373 -4.790
114 HB3 ALA 13 HB3 ALA 13 22.740 1.570 -4.028
115 H VAL 14 HN VAL 14 23.236 2.309 -1.479
116 HA VAL 14 HA VAL 14 25.965 3.239 -1.903
117 HB VAL 14 HB VAL 14 23.700 4.354 -0.213
118 HG11 VAL 14 HG11 VAL 14 25.123 6.478 -0.400
119 HG12 VAL 14 HG12 VAL 14 26.446 5.425 -0.896
120 HG13 VAL 14 HG13 VAL 14 25.724 5.239 0.701
121 HG21 VAL 14 HG21 VAL 14 23.087 5.601 -2.055
122 HG22 VAL 14 HG22 VAL 14 23.747 4.197 -2.896
123 HG23 VAL 14 HG23 VAL 14 24.728 5.649 -2.697
124 H LEU 15 HN LEU 15 24.070 2.284 0.999
125 HA LEU 15 HA LEU 15 26.318 2.469 2.768
126 HB2 LEU 15 HB2 LEU 15 24.502 2.278 4.107
127 HB3 LEU 15 HB1 LEU 15 23.567 1.423 2.885
128 HG LEU 15 HG LEU 15 25.768 -0.169 4.042
129 HD11 LEU 15 HD11 LEU 15 24.566 -0.583 6.165
130 HD12 LEU 15 HD12 LEU 15 23.426 0.699 5.756
131 HD13 LEU 15 HD13 LEU 15 25.123 1.086 6.046
132 HD21 LEU 15 HD21 LEU 15 24.086 -1.896 4.015
133 HD22 LEU 15 HD22 LEU 15 23.902 -0.976 2.524
134 HD23 LEU 15 HD23 LEU 15 22.792 -0.707 3.866
135 H LEU 16 HN LEU 16 24.963 -0.238 0.880
136 HA LEU 16 HA LEU 16 26.684 -2.289 1.744
137 HB2 LEU 16 HB2 LEU 16 25.493 -1.694 -0.968
138 HB3 LEU 16 HB1 LEU 16 26.489 -3.124 -0.690
139 HG LEU 16 HG LEU 16 23.986 -2.406 0.876
140 HD11 LEU 16 HD11 LEU 16 23.382 -3.083 -1.365
141 HD12 LEU 16 HD12 LEU 16 23.058 -4.435 -0.280
142 HD13 LEU 16 HD13 LEU 16 24.494 -4.451 -1.305
143 HD21 LEU 16 HD21 LEU 16 25.083 -3.735 2.393
144 HD22 LEU 16 HD22 LEU 16 26.104 -4.482 1.165
145 HD23 LEU 16 HD23 LEU 16 24.438 -5.025 1.379
146 H ILE 17 HN ILE 17 27.475 0.599 0.089
147 HA ILE 17 HA ILE 17 30.259 -0.410 -0.236
148 HB ILE 17 HB ILE 17 28.878 -0.149 -2.413
149 HG12 ILE 17 HG12 ILE 17 31.425 1.479 -2.279
150 HG13 ILE 17 HG11 ILE 17 31.416 -0.281 -2.174
151 HG21 ILE 17 HG21 ILE 17 29.458 2.773 -1.844
152 HG22 ILE 17 HG22 ILE 17 27.859 2.031 -1.814
153 HG23 ILE 17 HG23 ILE 17 28.763 2.117 -3.325
154 HD11 ILE 17 HD11 ILE 17 31.543 1.121 -4.525
155 HD12 ILE 17 HD12 ILE 17 29.814 0.811 -4.396
156 HD13 ILE 17 HD13 ILE 17 30.952 -0.534 -4.386
157 H CYS 18 HN CYS 18 28.587 1.302 1.732
158 HA CYS 18 HA CYS 18 30.709 3.205 2.311
159 HB2 CYS 18 HB2 CYS 18 28.645 4.089 0.593
160 HB3 CYS 18 HB1 CYS 18 28.315 4.811 2.166
161 HG CYS 18 HG CYS 18 31.175 5.077 0.957
162 H TRP 19 HN TRP 19 28.880 1.026 3.440
163 HA TRP 19 HA TRP 19 27.101 1.860 5.382
164 HB2 TRP 19 HB2 TRP 19 28.747 -0.125 6.638
165 HB3 TRP 19 HB1 TRP 19 27.169 -0.324 5.901
166 HD1 TRP 19 HD1 TRP 19 27.321 -2.321 4.355
167 HE1 TRP 19 HE1 TRP 19 28.924 -3.089 2.484
168 HE3 TRP 19 HE3 TRP 19 30.939 1.262 4.753
169 HZ2 TRP 19 HZ2 TRP 19 31.402 -2.291 1.312
170 HZ3 TRP 19 HZ3 TRP 19 32.903 1.238 3.242
171 HH2 TRP 19 HH2 TRP 19 33.139 -0.534 1.526
172 H PHE 20 HN PHE 20 30.010 0.793 7.011
173 HA PHE 20 HA PHE 20 30.554 3.528 7.984
174 HB2 PHE 20 HB2 PHE 20 30.275 1.572 10.197
175 HB3 PHE 20 HB1 PHE 20 29.856 3.275 10.136
176 HD1 PHE 20 HD1 PHE 20 27.781 3.951 8.752
177 HD2 PHE 20 HD2 PHE 20 28.568 -0.076 10.027
178 HE1 PHE 20 HE1 PHE 20 25.394 3.376 8.416
179 HE2 PHE 20 HE2 PHE 20 26.186 -0.651 9.687
180 HZ PHE 20 HZ PHE 20 24.594 1.072 8.882
181 HA PRO 21 HA PRO 21 34.098 0.876 9.485
182 HB2 PRO 21 HB2 PRO 21 33.883 -1.818 9.735
183 HB3 PRO 21 HB1 PRO 21 33.198 -0.691 10.917
184 HG2 PRO 21 HG2 PRO 21 31.843 -2.383 8.945
185 HG3 PRO 21 HG1 PRO 21 31.212 -1.638 10.421
186 HD2 PRO 21 HD2 PRO 21 30.911 -0.707 7.698
187 HD3 PRO 21 HD1 PRO 21 30.246 0.003 9.179
188 H VAL 22 HN VAL 22 32.610 -1.263 7.048
189 HA VAL 22 HA VAL 22 34.947 -2.372 5.984
190 HB VAL 22 HB VAL 22 32.524 -1.625 4.330
191 HG11 VAL 22 HG11 VAL 22 33.071 -3.702 3.141
192 HG12 VAL 22 HG12 VAL 22 34.408 -4.004 4.251
193 HG13 VAL 22 HG13 VAL 22 34.470 -2.628 3.147
194 HG21 VAL 22 HG21 VAL 22 31.399 -2.696 6.030
195 HG22 VAL 22 HG22 VAL 22 32.837 -3.557 6.580
196 HG23 VAL 22 HG23 VAL 22 31.959 -4.124 5.159
197 H LEU 23 HN LEU 23 33.781 0.883 5.676
198 HA LEU 23 HA LEU 23 35.143 1.563 3.245
199 HB2 LEU 23 HB2 LEU 23 34.835 3.838 3.841
200 HB3 LEU 23 HB1 LEU 23 33.426 3.001 4.479
201 HG LEU 23 HG LEU 23 34.897 2.812 6.665
202 HD11 LEU 23 HD11 LEU 23 35.976 5.456 6.118
203 HD12 LEU 23 HD12 LEU 23 36.641 4.269 4.999
204 HD13 LEU 23 HD13 LEU 23 36.802 4.028 6.738
205 HD21 LEU 23 HD21 LEU 23 33.675 5.445 5.774
206 HD22 LEU 23 HD22 LEU 23 33.920 4.926 7.443
207 HD23 LEU 23 HD23 LEU 23 32.767 4.075 6.415
208 H ALA 24 HN ALA 24 36.168 1.421 6.627
209 HA ALA 24 HA ALA 24 38.802 2.493 6.262
210 HB1 ALA 24 HB1 ALA 24 37.856 2.149 8.506
211 HB2 ALA 24 HB2 ALA 24 39.358 1.236 8.338
212 HB3 ALA 24 HB3 ALA 24 37.805 0.406 8.233
213 H LEU 25 HN LEU 25 37.337 -0.539 5.438
214 HA LEU 25 HA LEU 25 39.989 -1.753 4.849
215 HB2 LEU 25 HB2 LEU 25 37.164 -2.814 4.971
216 HB3 LEU 25 HB1 LEU 25 38.430 -3.719 4.143
217 HG LEU 25 HG LEU 25 39.817 -3.502 6.268
218 HD11 LEU 25 HD11 LEU 25 38.845 -1.779 7.517
219 HD12 LEU 25 HD12 LEU 25 38.199 -3.211 8.320
220 HD13 LEU 25 HD13 LEU 25 37.201 -2.318 7.170
221 HD21 LEU 25 HD21 LEU 25 37.174 -4.991 6.377
222 HD22 LEU 25 HD22 LEU 25 38.541 -5.299 7.449
223 HD23 LEU 25 HD23 LEU 25 38.694 -5.599 5.717
224 H MET 26 HN MET 26 36.911 -0.912 3.306
225 HA MET 26 HA MET 26 37.539 -1.574 0.645
226 HB2 MET 26 HB2 MET 26 35.303 -0.872 1.313
227 HB3 MET 26 HB1 MET 26 35.891 0.740 1.715
228 HG2 MET 26 HG2 MET 26 36.412 -0.300 -1.040
229 HG3 MET 26 HG1 MET 26 34.774 0.220 -0.651
230 HE1 MET 26 HE1 MET 26 34.383 2.211 -2.006
231 HE2 MET 26 HE2 MET 26 34.783 3.767 -1.282
232 HE3 MET 26 HE3 MET 26 33.985 2.530 -0.312
233 H ALA 27 HN ALA 27 38.378 1.328 2.515
234 HA ALA 27 HA ALA 27 39.692 2.551 0.181
235 HB1 ALA 27 HB1 ALA 27 40.210 4.393 1.713
236 HB2 ALA 27 HB2 ALA 27 39.669 3.429 3.088
237 HB3 ALA 27 HB3 ALA 27 38.511 3.947 1.861
238 H HIS 28 HN HIS 28 40.603 0.032 1.996
239 HA HIS 28 HA HIS 28 43.485 0.642 1.618
240 HB2 HIS 28 HB2 HIS 28 43.680 1.103 3.842
241 HB3 HIS 28 HB1 HIS 28 42.122 0.380 4.219
242 HD1 HIS 28 HD1 HIS 28 45.776 -0.505 3.788
243 HD2 HIS 28 HD2 HIS 28 42.236 -2.301 5.089
244 HE1 HIS 28 HE1 HIS 28 46.432 -2.715 4.854
245 HE2 HIS 28 HE2 HIS 28 44.288 -3.802 5.670
246 H SER 29 HN SER 29 41.403 -1.858 3.083
247 HA SER 29 HA SER 29 42.901 -4.092 2.104
248 HB2 SER 29 HB2 SER 29 40.729 -3.759 3.773
249 HB3 SER 29 HB1 SER 29 39.983 -4.482 2.353
250 HG SER 29 HG SER 29 40.784 -6.288 3.053
251 H LEU 30 HN LEU 30 40.383 -2.070 0.713
252 HA LEU 30 HA LEU 30 40.599 -3.658 -1.819
253 HB2 LEU 30 HB2 LEU 30 38.300 -3.035 -0.414
254 HB3 LEU 30 HB1 LEU 30 38.359 -1.753 -1.623
255 HG LEU 30 HG LEU 30 38.680 -4.690 -2.300
256 HD11 LEU 30 HD11 LEU 30 36.426 -4.103 -1.282
257 HD12 LEU 30 HD12 LEU 30 36.361 -4.737 -2.925
258 HD13 LEU 30 HD13 LEU 30 36.184 -3.006 -2.642
259 HD21 LEU 30 HD21 LEU 30 38.109 -3.855 -4.584
260 HD22 LEU 30 HD22 LEU 30 39.594 -3.142 -3.960
261 HD23 LEU 30 HD23 LEU 30 38.100 -2.209 -3.951
262 H ALA 31 HN ALA 31 42.331 -1.434 -0.754
263 HA ALA 31 HA ALA 31 41.721 0.943 -2.299
264 HB1 ALA 31 HB1 ALA 31 44.131 1.529 -1.767
265 HB2 ALA 31 HB2 ALA 31 44.249 -0.026 -0.945
266 HB3 ALA 31 HB3 ALA 31 43.120 1.197 -0.361
267 H THR 32 HN THR 32 41.624 -1.406 -3.946
268 HA THR 32 HA THR 32 43.873 -2.121 -5.398
269 HB THR 32 HB THR 32 42.317 -2.422 -7.352
270 HG1 THR 32 HG1 THR 32 40.500 -1.387 -7.372
271 HG21 THR 32 HG21 THR 32 41.751 -3.388 -4.586
272 HG22 THR 32 HG22 THR 32 42.180 -4.302 -6.031
273 HG23 THR 32 HG23 THR 32 40.535 -3.710 -5.822
274 H THR 33 HN THR 33 41.664 0.431 -6.571
275 HA THR 33 HA THR 33 42.112 2.381 -7.792
276 HB THR 33 HB THR 33 44.870 2.578 -6.697
277 HG1 THR 33 HG1 THR 33 43.983 1.593 -4.952
278 HG21 THR 33 HG21 THR 33 42.545 4.456 -6.290
279 HG22 THR 33 HG22 THR 33 43.388 4.389 -7.839
280 HG23 THR 33 HG23 THR 33 44.267 4.834 -6.376
Start of MODEL 11
1 H1 ASP 1 HT1 ASP 1 7.274 -3.097 0.882
2 H2 ASP 1 HT2 ASP 1 8.758 -3.521 0.172
3 H3 ASP 1 HT3 ASP 1 7.405 -3.204 -0.804
4 HA ASP 1 HA ASP 1 9.186 -1.394 -0.574
5 HB2 ASP 1 HB2 ASP 1 6.234 -0.868 -0.113
6 HB3 ASP 1 HB1 ASP 1 7.400 0.353 -0.621
7 H VAL 2 HN VAL 2 10.478 -0.885 1.166
8 HA VAL 2 HA VAL 2 9.191 -0.238 3.775
9 HB VAL 2 HB VAL 2 11.348 -1.645 3.586
10 HG11 VAL 2 HG11 VAL 2 12.736 1.012 3.303
11 HG12 VAL 2 HG12 VAL 2 12.280 0.094 1.868
12 HG13 VAL 2 HG13 VAL 2 13.380 -0.609 3.051
13 HG21 VAL 2 HG21 VAL 2 11.565 0.885 5.237
14 HG22 VAL 2 HG22 VAL 2 12.236 -0.701 5.611
15 HG23 VAL 2 HG23 VAL 2 10.491 -0.454 5.650
16 H ARG 3 HN ARG 3 9.301 1.142 1.011
17 HA ARG 3 HA ARG 3 9.140 3.866 1.780
18 HB2 ARG 3 HB2 ARG 3 11.722 3.225 2.012
19 HB3 ARG 3 HB1 ARG 3 11.690 3.405 0.264
20 HG2 ARG 3 HG2 ARG 3 12.319 5.503 1.422
21 HG3 ARG 3 HG1 ARG 3 10.853 5.680 0.461
22 HD2 ARG 3 HD2 ARG 3 11.012 6.544 3.005
23 HD3 ARG 3 HD1 ARG 3 9.509 5.940 2.311
24 HE ARG 3 HE ARG 3 11.079 3.801 3.501
25 HH11 ARG 3 HH21 ARG 3 8.909 6.428 4.123
26 HH12 ARG 3 HH22 ARG 3 8.265 5.717 5.566
27 HH21 ARG 3 HH11 ARG 3 10.271 2.883 5.357
28 HH22 ARG 3 HH12 ARG 3 9.050 3.703 6.279
29 H LEU 4 HN LEU 4 10.488 1.825 -0.794
30 HA LEU 4 HA LEU 4 8.281 2.081 -2.557
31 HB2 LEU 4 HB2 LEU 4 9.090 4.442 -2.778
32 HB3 LEU 4 HB1 LEU 4 10.659 3.834 -3.285
33 HG LEU 4 HG LEU 4 9.549 2.654 -5.189
34 HD11 LEU 4 HD11 LEU 4 7.137 4.007 -3.985
35 HD12 LEU 4 HD12 LEU 4 7.320 2.326 -4.489
36 HD13 LEU 4 HD13 LEU 4 7.188 3.602 -5.700
37 HD21 LEU 4 HD21 LEU 4 9.000 4.748 -6.471
38 HD22 LEU 4 HD22 LEU 4 10.538 4.825 -5.612
39 HD23 LEU 4 HD23 LEU 4 9.120 5.645 -4.959
40 H ALA 5 HN ALA 5 11.595 2.443 -3.597
41 HA ALA 5 HA ALA 5 12.433 -0.260 -3.487
42 HB1 ALA 5 HB1 ALA 5 10.618 0.245 -5.637
43 HB2 ALA 5 HB2 ALA 5 11.562 -1.214 -5.343
44 HB3 ALA 5 HB3 ALA 5 12.228 0.081 -6.338
45 H LYS 6 HN LYS 6 12.425 2.674 -5.397
46 HA LYS 6 HA LYS 6 15.201 2.733 -6.112
47 HB2 LYS 6 HB2 LYS 6 12.869 4.417 -6.348
48 HB3 LYS 6 HB1 LYS 6 14.221 5.379 -5.751
49 HG2 LYS 6 HG2 LYS 6 14.507 3.520 -8.118
50 HG3 LYS 6 HG1 LYS 6 13.989 5.199 -8.295
51 HD2 LYS 6 HD2 LYS 6 16.028 6.030 -7.348
52 HD3 LYS 6 HD1 LYS 6 16.516 4.416 -6.818
53 HE2 LYS 6 HE2 LYS 6 17.757 4.701 -8.781
54 HE3 LYS 6 HE1 LYS 6 16.361 3.797 -9.347
55 HZ1 LYS 6 HZ1 LYS 6 16.586 6.756 -9.435
56 HZ2 LYS 6 HZ2 LYS 6 15.336 5.814 -10.093
57 HZ3 LYS 6 HZ3 LYS 6 16.900 5.733 -10.747
58 H THR 7 HN THR 7 13.400 4.556 -3.626
59 HA THR 7 HA THR 7 15.535 5.754 -2.323
60 HB THR 7 HB THR 7 13.893 5.227 -0.216
61 HG1 THR 7 HG1 THR 7 11.753 5.229 -1.277
62 HG21 THR 7 HG21 THR 7 14.429 7.450 -1.141
63 HG22 THR 7 HG22 THR 7 12.696 7.299 -0.848
64 HG23 THR 7 HG23 THR 7 13.331 7.160 -2.490
65 H LEU 8 HN LEU 8 13.977 2.781 -1.186
66 HA LEU 8 HA LEU 8 16.093 2.076 0.592
67 HB2 LEU 8 HB2 LEU 8 15.027 -0.181 0.551
68 HB3 LEU 8 HB1 LEU 8 13.891 1.124 0.862
69 HG LEU 8 HG LEU 8 13.758 1.002 -1.855
70 HD11 LEU 8 HD11 LEU 8 13.517 -1.867 -1.433
71 HD12 LEU 8 HD12 LEU 8 15.172 -1.318 -1.161
72 HD13 LEU 8 HD13 LEU 8 14.378 -0.996 -2.701
73 HD21 LEU 8 HD21 LEU 8 11.616 -0.009 -1.536
74 HD22 LEU 8 HD22 LEU 8 11.936 0.915 -0.068
75 HD23 LEU 8 HD23 LEU 8 12.150 -0.836 -0.072
76 H GLY 9 HN GLY 9 15.419 1.125 -2.775
77 HA2 GLY 9 HA2 GLY 9 17.516 -0.751 -3.102
78 HA3 GLY 9 HA1 GLY 9 16.859 0.242 -4.401
79 H LEU 10 HN LEU 10 17.501 2.781 -3.609
80 HA LEU 10 HA LEU 10 20.259 3.031 -4.302
81 HB2 LEU 10 HB2 LEU 10 18.187 4.883 -3.167
82 HB3 LEU 10 HB1 LEU 10 19.876 5.394 -3.168
83 HG LEU 10 HG LEU 10 18.578 4.296 -5.664
84 HD11 LEU 10 HD11 LEU 10 17.161 6.143 -5.006
85 HD12 LEU 10 HD12 LEU 10 18.212 6.701 -6.310
86 HD13 LEU 10 HD13 LEU 10 18.564 7.148 -4.640
87 HD21 LEU 10 HD21 LEU 10 20.338 5.842 -6.671
88 HD22 LEU 10 HD22 LEU 10 20.972 4.452 -5.791
89 HD23 LEU 10 HD23 LEU 10 20.972 6.048 -5.038
90 H VAL 11 HN VAL 11 18.627 3.410 -1.136
91 HA VAL 11 HA VAL 11 20.931 3.786 0.450
92 HB VAL 11 HB VAL 11 18.469 2.149 1.172
93 HG11 VAL 11 HG11 VAL 11 20.260 1.854 2.798
94 HG12 VAL 11 HG12 VAL 11 19.043 2.924 3.491
95 HG13 VAL 11 HG13 VAL 11 20.545 3.595 2.855
96 HG21 VAL 11 HG21 VAL 11 18.699 4.946 2.097
97 HG22 VAL 11 HG22 VAL 11 17.301 4.084 1.456
98 HG23 VAL 11 HG23 VAL 11 18.488 4.774 0.354
99 H LEU 12 HN LEU 12 19.364 0.723 -0.525
100 HA LEU 12 HA LEU 12 21.314 -1.016 0.629
101 HB2 LEU 12 HB2 LEU 12 19.419 -1.286 -1.710
102 HB3 LEU 12 HB1 LEU 12 20.544 -2.577 -1.293
103 HG LEU 12 HG LEU 12 18.780 -1.377 0.831
104 HD11 LEU 12 HD11 LEU 12 17.097 -3.116 0.340
105 HD12 LEU 12 HD12 LEU 12 18.020 -3.610 -1.079
106 HD13 LEU 12 HD13 LEU 12 17.278 -2.010 -1.018
107 HD21 LEU 12 HD21 LEU 12 19.701 -4.235 0.496
108 HD22 LEU 12 HD22 LEU 12 19.199 -3.411 1.972
109 HD23 LEU 12 HD23 LEU 12 20.748 -3.018 1.226
110 H ALA 13 HN ALA 13 20.989 0.000 -2.788
111 HA ALA 13 HA ALA 13 23.442 -0.990 -3.728
112 HB1 ALA 13 HB1 ALA 13 22.195 1.645 -4.567
113 HB2 ALA 13 HB2 ALA 13 21.637 0.071 -5.128
114 HB3 ALA 13 HB3 ALA 13 23.263 0.624 -5.528
115 H VAL 14 HN VAL 14 22.789 1.973 -1.919
116 HA VAL 14 HA VAL 14 25.504 2.983 -2.258
117 HB VAL 14 HB VAL 14 23.257 3.791 -0.380
118 HG11 VAL 14 HG11 VAL 14 24.826 5.954 -0.419
119 HG12 VAL 14 HG12 VAL 14 26.079 4.740 -0.687
120 HG13 VAL 14 HG13 VAL 14 25.071 4.664 0.759
121 HG21 VAL 14 HG21 VAL 14 23.264 4.112 -3.029
122 HG22 VAL 14 HG22 VAL 14 24.309 5.473 -2.627
123 HG23 VAL 14 HG23 VAL 14 22.678 5.386 -1.964
124 H LEU 15 HN LEU 15 23.691 1.554 0.491
125 HA LEU 15 HA LEU 15 25.944 1.484 2.244
126 HB2 LEU 15 HB2 LEU 15 24.253 0.866 3.603
127 HB3 LEU 15 HB1 LEU 15 23.227 0.438 2.237
128 HG LEU 15 HG LEU 15 25.442 -1.440 2.989
129 HD11 LEU 15 HD11 LEU 15 24.439 -0.934 5.150
130 HD12 LEU 15 HD12 LEU 15 23.918 -2.536 4.626
131 HD13 LEU 15 HD13 LEU 15 22.820 -1.162 4.484
132 HD21 LEU 15 HD21 LEU 15 23.220 -1.428 1.233
133 HD22 LEU 15 HD22 LEU 15 22.835 -2.587 2.504
134 HD23 LEU 15 HD23 LEU 15 24.314 -2.769 1.563
135 H LEU 16 HN LEU 16 24.719 -0.778 -0.183
136 HA LEU 16 HA LEU 16 26.433 -2.968 0.208
137 HB2 LEU 16 HB2 LEU 16 24.585 -2.435 -1.630
138 HB3 LEU 16 HB1 LEU 16 25.982 -1.945 -2.578
139 HG LEU 16 HG LEU 16 25.196 -4.385 -2.818
140 HD11 LEU 16 HD11 LEU 16 27.594 -3.242 -3.200
141 HD12 LEU 16 HD12 LEU 16 27.324 -4.967 -3.449
142 HD13 LEU 16 HD13 LEU 16 28.046 -4.393 -1.944
143 HD21 LEU 16 HD21 LEU 16 26.782 -4.866 -0.303
144 HD22 LEU 16 HD22 LEU 16 25.644 -5.936 -1.121
145 HD23 LEU 16 HD23 LEU 16 25.047 -4.551 -0.207
146 H ILE 17 HN ILE 17 27.203 0.259 -0.709
147 HA ILE 17 HA ILE 17 30.029 -0.589 -1.137
148 HB ILE 17 HB ILE 17 28.842 0.075 -3.268
149 HG12 ILE 17 HG12 ILE 17 30.997 2.078 -2.615
150 HG13 ILE 17 HG11 ILE 17 31.373 0.357 -2.715
151 HG21 ILE 17 HG21 ILE 17 28.775 2.755 -1.864
152 HG22 ILE 17 HG22 ILE 17 27.393 1.812 -2.420
153 HG23 ILE 17 HG23 ILE 17 28.499 2.530 -3.590
154 HD11 ILE 17 HD11 ILE 17 31.744 1.386 -4.896
155 HD12 ILE 17 HD12 ILE 17 30.107 2.045 -4.892
156 HD13 ILE 17 HD13 ILE 17 30.357 0.302 -4.988
157 H CYS 18 HN CYS 18 28.334 0.552 1.167
158 HA CYS 18 HA CYS 18 30.362 2.510 2.029
159 HB2 CYS 18 HB2 CYS 18 27.512 3.254 1.432
160 HB3 CYS 18 HB1 CYS 18 28.398 4.106 2.697
161 HG CYS 18 HG CYS 18 29.860 3.934 -0.011
162 H TRP 19 HN TRP 19 27.751 0.345 2.685
163 HA TRP 19 HA TRP 19 26.624 0.139 4.888
164 HB2 TRP 19 HB2 TRP 19 28.918 -1.466 5.667
165 HB3 TRP 19 HB1 TRP 19 27.313 -1.978 5.167
166 HD1 TRP 19 HD1 TRP 19 27.300 -3.343 3.038
167 HE1 TRP 19 HE1 TRP 19 28.785 -3.508 0.936
168 HE3 TRP 19 HE3 TRP 19 30.747 0.268 4.107
169 HZ2 TRP 19 HZ2 TRP 19 31.117 -2.269 -0.147
170 HZ3 TRP 19 HZ3 TRP 19 32.575 0.764 2.515
171 HH2 TRP 19 HH2 TRP 19 32.765 -0.497 0.398
172 H PHE 20 HN PHE 20 29.834 -0.294 6.232
173 HA PHE 20 HA PHE 20 29.787 2.334 7.531
174 HB2 PHE 20 HB2 PHE 20 30.096 0.156 9.536
175 HB3 PHE 20 HB1 PHE 20 29.381 1.750 9.706
176 HD1 PHE 20 HD1 PHE 20 27.075 2.173 8.657
177 HD2 PHE 20 HD2 PHE 20 28.721 -1.763 9.228
178 HE1 PHE 20 HE1 PHE 20 24.809 1.189 8.463
179 HE2 PHE 20 HE2 PHE 20 26.458 -2.738 9.025
180 HZ PHE 20 HZ PHE 20 24.500 -1.264 8.644
181 HA PRO 21 HA PRO 21 33.943 0.397 8.463
182 HB2 PRO 21 HB2 PRO 21 34.280 -2.280 8.608
183 HB3 PRO 21 HB1 PRO 21 33.457 -1.364 9.885
184 HG2 PRO 21 HG2 PRO 21 32.336 -3.221 7.906
185 HG3 PRO 21 HG1 PRO 21 31.668 -2.678 9.451
186 HD2 PRO 21 HD2 PRO 21 31.035 -1.700 6.792
187 HD3 PRO 21 HD1 PRO 21 30.301 -1.239 8.336
188 H VAL 22 HN VAL 22 32.606 -1.809 6.003
189 HA VAL 22 HA VAL 22 34.998 -2.552 4.772
190 HB VAL 22 HB VAL 22 32.493 -2.107 3.155
191 HG11 VAL 22 HG11 VAL 22 34.496 -3.062 2.062
192 HG12 VAL 22 HG12 VAL 22 33.192 -4.245 2.151
193 HG13 VAL 22 HG13 VAL 22 34.545 -4.338 3.276
194 HG21 VAL 22 HG21 VAL 22 31.453 -3.086 4.992
195 HG22 VAL 22 HG22 VAL 22 32.916 -3.935 5.499
196 HG23 VAL 22 HG23 VAL 22 31.983 -4.524 4.122
197 H LEU 23 HN LEU 23 33.641 0.591 4.815
198 HA LEU 23 HA LEU 23 34.569 1.474 2.227
199 HB2 LEU 23 HB2 LEU 23 34.497 3.781 3.281
200 HB3 LEU 23 HB1 LEU 23 32.981 2.891 3.332
201 HG LEU 23 HG LEU 23 33.978 2.091 5.693
202 HD11 LEU 23 HD11 LEU 23 35.699 3.313 6.479
203 HD12 LEU 23 HD12 LEU 23 34.859 4.817 6.113
204 HD13 LEU 23 HD13 LEU 23 35.853 4.042 4.881
205 HD21 LEU 23 HD21 LEU 23 31.835 3.152 5.518
206 HD22 LEU 23 HD22 LEU 23 32.558 4.684 5.023
207 HD23 LEU 23 HD23 LEU 23 32.756 4.108 6.678
208 H ALA 24 HN ALA 24 36.036 1.425 5.465
209 HA ALA 24 HA ALA 24 38.545 2.602 4.639
210 HB1 ALA 24 HB1 ALA 24 37.852 0.743 6.941
211 HB2 ALA 24 HB2 ALA 24 38.041 2.496 7.016
212 HB3 ALA 24 HB3 ALA 24 39.444 1.469 6.716
213 H LEU 25 HN LEU 25 37.365 -0.721 4.987
214 HA LEU 25 HA LEU 25 39.736 -2.022 4.018
215 HB2 LEU 25 HB2 LEU 25 36.813 -2.802 4.075
216 HB3 LEU 25 HB1 LEU 25 38.041 -3.864 3.394
217 HG LEU 25 HG LEU 25 39.295 -3.531 5.641
218 HD11 LEU 25 HD11 LEU 25 38.109 -1.733 6.637
219 HD12 LEU 25 HD12 LEU 25 37.574 -3.161 7.524
220 HD13 LEU 25 HD13 LEU 25 36.544 -2.459 6.279
221 HD21 LEU 25 HD21 LEU 25 38.028 -5.355 6.678
222 HD22 LEU 25 HD22 LEU 25 38.149 -5.628 4.941
223 HD23 LEU 25 HD23 LEU 25 36.647 -5.017 5.634
224 H MET 26 HN MET 26 36.728 -1.008 2.403
225 HA MET 26 HA MET 26 37.395 -1.803 -0.220
226 HB2 MET 26 HB2 MET 26 35.164 -1.025 0.365
227 HB3 MET 26 HB1 MET 26 35.780 0.584 0.730
228 HG2 MET 26 HG2 MET 26 36.338 -0.556 -1.981
229 HG3 MET 26 HG1 MET 26 34.707 0.024 -1.647
230 HE1 MET 26 HE1 MET 26 35.461 1.384 -3.808
231 HE2 MET 26 HE2 MET 26 37.206 1.147 -3.717
232 HE3 MET 26 HE3 MET 26 36.549 2.780 -3.779
233 H ALA 27 HN ALA 27 38.358 1.050 1.623
234 HA ALA 27 HA ALA 27 39.681 2.283 -0.690
235 HB1 ALA 27 HB1 ALA 27 39.655 2.952 2.265
236 HB2 ALA 27 HB2 ALA 27 38.773 3.772 0.980
237 HB3 ALA 27 HB3 ALA 27 40.529 3.897 1.061
238 H HIS 28 HN HIS 28 40.460 -0.249 1.397
239 HA HIS 28 HA HIS 28 43.340 0.032 0.673
240 HB2 HIS 28 HB2 HIS 28 43.041 0.872 3.004
241 HB3 HIS 28 HB1 HIS 28 42.359 -0.691 3.454
242 HD1 HIS 28 HD1 HIS 28 44.896 -1.445 1.050
243 HD2 HIS 28 HD2 HIS 28 44.957 -0.427 5.106
244 HE1 HIS 28 HE1 HIS 28 47.148 -2.187 1.952
245 HE2 HIS 28 HE2 HIS 28 47.191 -1.584 4.419
246 H SER 29 HN SER 29 41.226 -2.181 2.535
247 HA SER 29 HA SER 29 42.444 -4.620 1.880
248 HB2 SER 29 HB2 SER 29 39.454 -4.157 2.032
249 HB3 SER 29 HB1 SER 29 40.306 -5.657 2.365
250 HG SER 29 HG SER 29 40.469 -4.952 4.328
251 H LEU 30 HN LEU 30 40.064 -2.749 0.030
252 HA LEU 30 HA LEU 30 40.499 -4.592 -2.288
253 HB2 LEU 30 HB2 LEU 30 38.316 -2.605 -1.634
254 HB3 LEU 30 HB1 LEU 30 38.511 -3.281 -3.245
255 HG LEU 30 HG LEU 30 38.421 -5.588 -2.168
256 HD11 LEU 30 HD11 LEU 30 36.980 -5.287 0.084
257 HD12 LEU 30 HD12 LEU 30 37.969 -3.830 0.200
258 HD13 LEU 30 HD13 LEU 30 38.739 -5.415 0.101
259 HD21 LEU 30 HD21 LEU 30 35.922 -5.481 -1.870
260 HD22 LEU 30 HD22 LEU 30 36.495 -4.730 -3.360
261 HD23 LEU 30 HD23 LEU 30 36.037 -3.724 -1.984
262 H ALA 31 HN ALA 31 42.414 -2.553 -1.347
263 HA ALA 31 HA ALA 31 42.460 -0.108 -2.614
264 HB1 ALA 31 HB1 ALA 31 44.570 -2.133 -2.023
265 HB2 ALA 31 HB2 ALA 31 44.435 -0.459 -1.482
266 HB3 ALA 31 HB3 ALA 31 45.005 -0.815 -3.114
267 H THR 32 HN THR 32 41.649 0.233 -4.633
268 HA THR 32 HA THR 32 42.954 -1.188 -6.893
269 HB THR 32 HB THR 32 40.410 -1.005 -7.844
270 HG1 THR 32 HG1 THR 32 40.249 -1.547 -5.049
271 HG21 THR 32 HG21 THR 32 41.542 -3.288 -6.194
272 HG22 THR 32 HG22 THR 32 41.823 -3.012 -7.913
273 HG23 THR 32 HG23 THR 32 40.208 -3.423 -7.339
274 H THR 33 HN THR 33 40.340 1.183 -6.301
275 HA THR 33 HA THR 33 41.945 3.207 -7.784
276 HB THR 33 HB THR 33 39.935 3.941 -8.991
277 HG1 THR 33 HG1 THR 33 38.634 2.930 -7.127
278 HG21 THR 33 HG21 THR 33 40.121 0.939 -9.304
279 HG22 THR 33 HG22 THR 33 41.393 2.025 -9.856
280 HG23 THR 33 HG23 THR 33 39.775 2.140 -10.546
Start of MODEL 12
1 H1 ASP 1 HT1 ASP 1 6.425 0.168 -1.023
2 H2 ASP 1 HT2 ASP 1 7.058 -1.252 -1.704
3 H3 ASP 1 HT3 ASP 1 7.852 0.232 -1.939
4 HA ASP 1 HA ASP 1 7.916 -1.563 0.339
5 HB2 ASP 1 HB2 ASP 1 10.171 -0.607 0.538
6 HB3 ASP 1 HB1 ASP 1 9.872 -1.072 -1.136
7 H VAL 2 HN VAL 2 9.572 0.674 1.617
8 HA VAL 2 HA VAL 2 7.429 1.794 3.265
9 HB VAL 2 HB VAL 2 10.120 2.995 3.492
10 HG11 VAL 2 HG11 VAL 2 8.138 3.087 5.127
11 HG12 VAL 2 HG12 VAL 2 9.720 2.723 5.813
12 HG13 VAL 2 HG13 VAL 2 8.557 1.425 5.545
13 HG21 VAL 2 HG21 VAL 2 11.034 0.892 4.579
14 HG22 VAL 2 HG22 VAL 2 10.906 0.819 2.822
15 HG23 VAL 2 HG23 VAL 2 9.704 0.008 3.829
16 H ARG 3 HN ARG 3 9.668 2.919 0.756
17 HA ARG 3 HA ARG 3 7.932 5.313 0.376
18 HB2 ARG 3 HB2 ARG 3 10.805 5.822 -0.048
19 HB3 ARG 3 HB1 ARG 3 9.590 6.836 0.725
20 HG2 ARG 3 HG2 ARG 3 9.702 5.200 2.701
21 HG3 ARG 3 HG1 ARG 3 11.163 4.562 1.947
22 HD2 ARG 3 HD2 ARG 3 11.928 7.056 1.866
23 HD3 ARG 3 HD1 ARG 3 10.673 7.311 3.079
24 HE ARG 3 HE ARG 3 13.213 5.925 3.499
25 HH11 ARG 3 HH21 ARG 3 9.897 6.229 4.444
26 HH12 ARG 3 HH22 ARG 3 10.170 5.669 6.060
27 HH21 ARG 3 HH11 ARG 3 13.581 5.175 5.601
28 HH22 ARG 3 HH12 ARG 3 12.256 5.068 6.714
29 H LEU 4 HN LEU 4 10.908 3.868 -0.934
30 HA LEU 4 HA LEU 4 9.591 3.024 -3.350
31 HB2 LEU 4 HB2 LEU 4 9.937 5.543 -3.737
32 HB3 LEU 4 HB1 LEU 4 11.664 5.184 -3.772
33 HG LEU 4 HG LEU 4 11.253 3.511 -5.573
34 HD11 LEU 4 HD11 LEU 4 8.938 3.830 -6.721
35 HD12 LEU 4 HD12 LEU 4 8.426 4.461 -5.155
36 HD13 LEU 4 HD13 LEU 4 9.031 2.810 -5.287
37 HD21 LEU 4 HD21 LEU 4 11.713 6.035 -5.959
38 HD22 LEU 4 HD22 LEU 4 10.011 6.129 -6.408
39 HD23 LEU 4 HD23 LEU 4 11.107 5.093 -7.321
40 H ALA 5 HN ALA 5 10.730 1.274 -4.041
41 HA ALA 5 HA ALA 5 12.913 0.198 -2.677
42 HB1 ALA 5 HB1 ALA 5 12.444 -0.148 -5.651
43 HB2 ALA 5 HB2 ALA 5 11.499 -0.979 -4.414
44 HB3 ALA 5 HB3 ALA 5 13.230 -1.286 -4.558
45 H LYS 6 HN LYS 6 12.897 2.776 -4.973
46 HA LYS 6 HA LYS 6 15.707 2.664 -5.670
47 HB2 LYS 6 HB2 LYS 6 13.435 4.484 -6.141
48 HB3 LYS 6 HB1 LYS 6 14.984 5.306 -5.968
49 HG2 LYS 6 HG2 LYS 6 14.546 2.937 -7.809
50 HG3 LYS 6 HG1 LYS 6 14.430 4.614 -8.339
51 HD2 LYS 6 HD2 LYS 6 16.886 3.371 -7.056
52 HD3 LYS 6 HD1 LYS 6 16.674 3.626 -8.785
53 HE2 LYS 6 HE2 LYS 6 16.312 6.092 -8.270
54 HE3 LYS 6 HE1 LYS 6 16.844 5.743 -6.627
55 HZ1 LYS 6 HZ1 LYS 6 18.416 5.166 -9.076
56 HZ2 LYS 6 HZ2 LYS 6 18.929 4.930 -7.475
57 HZ3 LYS 6 HZ3 LYS 6 18.660 6.500 -8.063
58 H THR 7 HN THR 7 13.783 4.608 -3.378
59 HA THR 7 HA THR 7 15.882 6.014 -2.100
60 HB THR 7 HB THR 7 13.998 4.975 -0.156
61 HG1 THR 7 HG1 THR 7 12.679 4.482 -1.886
62 HG21 THR 7 HG21 THR 7 13.283 7.400 -0.154
63 HG22 THR 7 HG22 THR 7 14.410 7.668 -1.484
64 HG23 THR 7 HG23 THR 7 15.011 7.146 0.088
65 H LEU 8 HN LEU 8 14.566 2.777 -1.464
66 HA LEU 8 HA LEU 8 16.516 2.023 0.521
67 HB2 LEU 8 HB2 LEU 8 14.982 0.238 -1.397
68 HB3 LEU 8 HB1 LEU 8 15.699 -0.240 0.138
69 HG LEU 8 HG LEU 8 13.403 1.715 -0.246
70 HD11 LEU 8 HD11 LEU 8 12.666 -0.569 -0.468
71 HD12 LEU 8 HD12 LEU 8 12.199 -0.010 1.136
72 HD13 LEU 8 HD13 LEU 8 13.598 -1.064 0.946
73 HD21 LEU 8 HD21 LEU 8 15.021 0.927 2.187
74 HD22 LEU 8 HD22 LEU 8 13.375 1.544 2.326
75 HD23 LEU 8 HD23 LEU 8 14.630 2.549 1.607
76 H GLY 9 HN GLY 9 16.252 1.500 -2.994
77 HA2 GLY 9 HA2 GLY 9 18.623 0.021 -3.386
78 HA3 GLY 9 HA1 GLY 9 17.908 1.087 -4.597
79 H LEU 10 HN LEU 10 18.133 3.551 -3.232
80 HA LEU 10 HA LEU 10 20.831 4.278 -3.856
81 HB2 LEU 10 HB2 LEU 10 18.681 5.664 -2.238
82 HB3 LEU 10 HB1 LEU 10 20.268 6.383 -2.515
83 HG LEU 10 HG LEU 10 18.347 5.486 -4.692
84 HD11 LEU 10 HD11 LEU 10 19.205 8.291 -3.941
85 HD12 LEU 10 HD12 LEU 10 17.710 7.553 -3.367
86 HD13 LEU 10 HD13 LEU 10 17.951 7.826 -5.092
87 HD21 LEU 10 HD21 LEU 10 20.463 5.291 -5.675
88 HD22 LEU 10 HD22 LEU 10 21.150 6.576 -4.681
89 HD23 LEU 10 HD23 LEU 10 20.077 6.976 -6.020
90 H VAL 11 HN VAL 11 19.232 4.020 -0.661
91 HA VAL 11 HA VAL 11 21.503 4.322 0.970
92 HB VAL 11 HB VAL 11 19.281 2.298 1.416
93 HG11 VAL 11 HG11 VAL 11 21.070 2.041 3.017
94 HG12 VAL 11 HG12 VAL 11 19.756 2.896 3.828
95 HG13 VAL 11 HG13 VAL 11 21.170 3.786 3.262
96 HG21 VAL 11 HG21 VAL 11 19.217 5.206 1.256
97 HG22 VAL 11 HG22 VAL 11 18.741 4.647 2.858
98 HG23 VAL 11 HG23 VAL 11 17.880 4.069 1.433
99 H LEU 12 HN LEU 12 20.266 1.417 -0.660
100 HA LEU 12 HA LEU 12 22.342 -0.379 0.155
101 HB2 LEU 12 HB2 LEU 12 20.103 -0.480 -1.554
102 HB3 LEU 12 HB1 LEU 12 21.486 -0.821 -2.593
103 HG LEU 12 HG LEU 12 22.230 -2.469 -0.747
104 HD11 LEU 12 HD11 LEU 12 20.282 -3.364 0.573
105 HD12 LEU 12 HD12 LEU 12 19.340 -1.979 0.026
106 HD13 LEU 12 HD13 LEU 12 20.763 -1.733 1.037
107 HD21 LEU 12 HD21 LEU 12 21.189 -3.047 -2.995
108 HD22 LEU 12 HD22 LEU 12 19.632 -3.127 -2.168
109 HD23 LEU 12 HD23 LEU 12 20.925 -4.244 -1.725
110 H ALA 13 HN ALA 13 21.992 1.368 -2.955
111 HA ALA 13 HA ALA 13 24.532 0.829 -4.001
112 HB1 ALA 13 HB1 ALA 13 22.993 1.942 -5.431
113 HB2 ALA 13 HB2 ALA 13 24.274 3.122 -5.156
114 HB3 ALA 13 HB3 ALA 13 22.748 3.254 -4.280
115 H VAL 14 HN VAL 14 23.638 3.181 -1.539
116 HA VAL 14 HA VAL 14 26.304 4.418 -1.564
117 HB VAL 14 HB VAL 14 23.999 4.721 0.402
118 HG11 VAL 14 HG11 VAL 14 26.122 5.406 1.391
119 HG12 VAL 14 HG12 VAL 14 25.187 6.846 0.980
120 HG13 VAL 14 HG13 VAL 14 26.527 6.342 -0.050
121 HG21 VAL 14 HG21 VAL 14 23.240 6.521 -0.889
122 HG22 VAL 14 HG22 VAL 14 23.772 5.399 -2.140
123 HG23 VAL 14 HG23 VAL 14 24.804 6.748 -1.671
124 H LEU 15 HN LEU 15 24.410 2.535 0.846
125 HA LEU 15 HA LEU 15 26.629 2.142 2.595
126 HB2 LEU 15 HB2 LEU 15 24.845 1.414 3.766
127 HB3 LEU 15 HB1 LEU 15 23.923 1.029 2.316
128 HG LEU 15 HG LEU 15 26.213 -0.761 3.016
129 HD11 LEU 15 HD11 LEU 15 23.539 -0.791 4.446
130 HD12 LEU 15 HD12 LEU 15 25.103 -0.439 5.185
131 HD13 LEU 15 HD13 LEU 15 24.766 -2.053 4.556
132 HD21 LEU 15 HD21 LEU 15 24.270 -0.792 1.087
133 HD22 LEU 15 HD22 LEU 15 23.530 -1.807 2.322
134 HD23 LEU 15 HD23 LEU 15 25.107 -2.232 1.660
135 H LEU 16 HN LEU 16 25.483 0.256 -0.200
136 HA LEU 16 HA LEU 16 27.160 -1.982 -0.004
137 HB2 LEU 16 HB2 LEU 16 26.156 -0.426 -2.382
138 HB3 LEU 16 HB1 LEU 16 27.222 -1.814 -2.600
139 HG LEU 16 HG LEU 16 24.674 -1.950 -0.961
140 HD11 LEU 16 HD11 LEU 16 25.099 -2.743 -3.861
141 HD12 LEU 16 HD12 LEU 16 24.157 -1.355 -3.322
142 HD13 LEU 16 HD13 LEU 16 23.627 -2.989 -2.925
143 HD21 LEU 16 HD21 LEU 16 25.070 -4.442 -1.754
144 HD22 LEU 16 HD22 LEU 16 25.972 -3.803 -0.380
145 HD23 LEU 16 HD23 LEU 16 26.733 -3.895 -1.968
146 H ILE 17 HN ILE 17 28.084 1.296 -0.373
147 HA ILE 17 HA ILE 17 30.870 0.403 -0.976
148 HB ILE 17 HB ILE 17 29.458 1.801 -2.760
149 HG12 ILE 17 HG12 ILE 17 31.767 3.007 -3.261
150 HG13 ILE 17 HG11 ILE 17 32.343 1.950 -1.975
151 HG21 ILE 17 HG21 ILE 17 30.798 4.076 -1.321
152 HG22 ILE 17 HG22 ILE 17 29.154 3.613 -0.892
153 HG23 ILE 17 HG23 ILE 17 29.521 4.127 -2.536
154 HD11 ILE 17 HD11 ILE 17 31.126 1.193 -4.626
155 HD12 ILE 17 HD12 ILE 17 31.143 0.054 -3.279
156 HD13 ILE 17 HD13 ILE 17 32.660 0.671 -3.932
157 H CYS 18 HN CYS 18 28.987 1.448 1.444
158 HA CYS 18 HA CYS 18 31.249 2.676 2.853
159 HB2 CYS 18 HB2 CYS 18 28.992 4.255 1.789
160 HB3 CYS 18 HB1 CYS 18 29.416 4.584 3.469
161 HG CYS 18 HG CYS 18 31.564 4.729 1.198
162 H TRP 19 HN TRP 19 29.021 0.481 2.966
163 HA TRP 19 HA TRP 19 27.220 0.552 4.968
164 HB2 TRP 19 HB2 TRP 19 28.972 -1.666 5.632
165 HB3 TRP 19 HB1 TRP 19 27.380 -1.692 4.892
166 HD1 TRP 19 HD1 TRP 19 27.477 -2.931 2.687
167 HE1 TRP 19 HE1 TRP 19 29.106 -3.031 0.684
168 HE3 TRP 19 HE3 TRP 19 31.183 0.128 4.402
169 HZ2 TRP 19 HZ2 TRP 19 31.640 -1.958 -0.082
170 HZ3 TRP 19 HZ3 TRP 19 33.181 0.577 3.018
171 HH2 TRP 19 HH2 TRP 19 33.413 -0.456 0.785
172 H PHE 20 HN PHE 20 30.122 -0.834 6.408
173 HA PHE 20 HA PHE 20 30.513 1.439 8.207
174 HB2 PHE 20 HB2 PHE 20 29.762 -1.092 9.640
175 HB3 PHE 20 HB1 PHE 20 29.684 0.571 10.198
176 HD1 PHE 20 HD2 PHE 20 27.983 -2.017 8.162
177 HD2 PHE 20 HD1 PHE 20 27.777 1.988 9.711
178 HE1 PHE 20 HE2 PHE 20 25.588 -1.897 7.541
179 HE2 PHE 20 HE1 PHE 20 25.380 2.101 9.092
180 HZ PHE 20 HZ PHE 20 24.287 0.162 8.006
181 HA PRO 21 HA PRO 21 33.693 -1.812 9.325
182 HB2 PRO 21 HB2 PRO 21 33.331 -4.435 8.695
183 HB3 PRO 21 HB1 PRO 21 32.552 -3.657 10.082
184 HG2 PRO 21 HG2 PRO 21 31.376 -4.589 7.584
185 HG3 PRO 21 HG1 PRO 21 30.592 -4.175 9.115
186 HD2 PRO 21 HD2 PRO 21 30.823 -2.558 6.705
187 HD3 PRO 21 HD1 PRO 21 29.903 -2.216 8.182
188 H VAL 22 HN VAL 22 32.902 -1.329 6.160
189 HA VAL 22 HA VAL 22 35.404 -2.666 5.213
190 HB VAL 22 HB VAL 22 32.954 -2.213 3.500
191 HG11 VAL 22 HG11 VAL 22 35.394 -4.009 3.302
192 HG12 VAL 22 HG12 VAL 22 35.008 -2.638 2.263
193 HG13 VAL 22 HG13 VAL 22 34.016 -4.093 2.208
194 HG21 VAL 22 HG21 VAL 22 32.035 -3.677 5.063
195 HG22 VAL 22 HG22 VAL 22 33.595 -4.404 5.451
196 HG23 VAL 22 HG23 VAL 22 32.778 -4.819 3.945
197 H LEU 23 HN LEU 23 34.073 0.317 5.782
198 HA LEU 23 HA LEU 23 34.812 1.705 3.354
199 HB2 LEU 23 HB2 LEU 23 35.136 3.578 5.401
200 HB3 LEU 23 HB1 LEU 23 33.681 3.321 4.446
201 HG LEU 23 HG LEU 23 33.023 1.536 6.146
202 HD11 LEU 23 HD11 LEU 23 35.540 2.616 7.347
203 HD12 LEU 23 HD12 LEU 23 34.885 0.979 7.401
204 HD13 LEU 23 HD13 LEU 23 34.212 2.232 8.441
205 HD21 LEU 23 HD21 LEU 23 33.320 4.445 6.939
206 HD22 LEU 23 HD22 LEU 23 32.365 3.284 7.859
207 HD23 LEU 23 HD23 LEU 23 31.919 3.669 6.198
208 H ALA 24 HN ALA 24 36.518 1.004 6.390
209 HA ALA 24 HA ALA 24 38.985 2.314 5.628
210 HB1 ALA 24 HB1 ALA 24 38.310 1.465 7.978
211 HB2 ALA 24 HB2 ALA 24 39.976 1.181 7.473
212 HB3 ALA 24 HB3 ALA 24 38.797 -0.131 7.405
213 H LEU 25 HN LEU 25 37.737 -1.007 5.338
214 HA LEU 25 HA LEU 25 40.001 -2.065 3.926
215 HB2 LEU 25 HB2 LEU 25 37.100 -2.813 4.144
216 HB3 LEU 25 HB1 LEU 25 38.076 -3.569 2.888
217 HG LEU 25 HG LEU 25 39.780 -3.996 4.852
218 HD11 LEU 25 HD11 LEU 25 38.631 -4.339 7.014
219 HD12 LEU 25 HD12 LEU 25 37.144 -3.696 6.323
220 HD13 LEU 25 HD13 LEU 25 38.548 -2.647 6.511
221 HD21 LEU 25 HD21 LEU 25 37.165 -5.493 4.481
222 HD22 LEU 25 HD22 LEU 25 38.544 -6.130 5.377
223 HD23 LEU 25 HD23 LEU 25 38.690 -5.803 3.651
224 H MET 26 HN MET 26 37.075 -0.353 2.894
225 HA MET 26 HA MET 26 37.579 -0.486 0.071
226 HB2 MET 26 HB2 MET 26 35.439 0.280 1.282
227 HB3 MET 26 HB1 MET 26 36.250 1.828 1.498
228 HG2 MET 26 HG2 MET 26 35.914 0.497 -1.201
229 HG3 MET 26 HG1 MET 26 34.779 1.679 -0.554
230 HE1 MET 26 HE1 MET 26 36.929 3.027 -3.473
231 HE2 MET 26 HE2 MET 26 35.525 3.798 -2.741
232 HE3 MET 26 HE3 MET 26 35.537 2.054 -2.984
233 H ALA 27 HN ALA 27 38.229 2.135 2.430
234 HA ALA 27 HA ALA 27 39.785 3.708 0.612
235 HB1 ALA 27 HB1 ALA 27 38.786 4.465 2.825
236 HB2 ALA 27 HB2 ALA 27 40.447 4.985 2.533
237 HB3 ALA 27 HB3 ALA 27 40.123 3.631 3.619
238 H HIS 28 HN HIS 28 40.553 0.877 2.485
239 HA HIS 28 HA HIS 28 43.456 1.285 1.860
240 HB2 HIS 28 HB2 HIS 28 42.590 1.063 4.318
241 HB3 HIS 28 HB1 HIS 28 42.465 -0.652 3.933
242 HD1 HIS 28 HD1 HIS 28 45.010 -0.739 2.027
243 HD2 HIS 28 HD2 HIS 28 44.925 0.868 5.882
244 HE1 HIS 28 HE1 HIS 28 47.398 -0.767 2.877
245 HE2 HIS 28 HE2 HIS 28 47.358 0.208 5.220
246 H SER 29 HN SER 29 41.515 -1.604 2.661
247 HA SER 29 HA SER 29 42.933 -3.432 1.093
248 HB2 SER 29 HB2 SER 29 40.468 -3.429 2.493
249 HB3 SER 29 HB1 SER 29 40.103 -4.006 0.873
250 HG SER 29 HG SER 29 41.617 -5.134 2.903
251 H LEU 30 HN LEU 30 40.341 -1.219 0.132
252 HA LEU 30 HA LEU 30 40.758 -2.007 -2.717
253 HB2 LEU 30 HB2 LEU 30 38.412 -1.603 -1.414
254 HB3 LEU 30 HB1 LEU 30 38.709 0.030 -2.009
255 HG LEU 30 HG LEU 30 39.256 -1.239 -4.266
256 HD11 LEU 30 HD11 LEU 30 37.951 -3.252 -4.577
257 HD12 LEU 30 HD12 LEU 30 37.264 -3.113 -2.959
258 HD13 LEU 30 HD13 LEU 30 38.976 -3.485 -3.162
259 HD21 LEU 30 HD21 LEU 30 36.739 -1.117 -4.783
260 HD22 LEU 30 HD22 LEU 30 37.500 0.366 -4.206
261 HD23 LEU 30 HD23 LEU 30 36.534 -0.618 -3.104
262 H ALA 31 HN ALA 31 42.737 -0.471 -1.201
263 HA ALA 31 HA ALA 31 42.510 2.327 -1.896
264 HB1 ALA 31 HB1 ALA 31 44.984 2.356 -1.389
265 HB2 ALA 31 HB2 ALA 31 44.897 0.611 -1.151
266 HB3 ALA 31 HB3 ALA 31 43.995 1.694 -0.091
267 H THR 32 HN THR 32 41.923 0.720 -4.167
268 HA THR 32 HA THR 32 44.245 0.607 -5.915
269 HB THR 32 HB THR 32 42.452 -0.893 -6.436
270 HG1 THR 32 HG1 THR 32 43.246 -0.170 -8.321
271 HG21 THR 32 HG21 THR 32 40.736 1.563 -6.164
272 HG22 THR 32 HG22 THR 32 40.550 -0.011 -5.393
273 HG23 THR 32 HG23 THR 32 40.175 0.181 -7.103
274 H THR 33 HN THR 33 43.789 1.875 -8.156
275 HA THR 33 HA THR 33 43.728 3.928 -9.260
276 HB THR 33 HB THR 33 42.393 5.495 -7.169
277 HG1 THR 33 HG1 THR 33 41.438 3.662 -6.506
278 HG21 THR 33 HG21 THR 33 42.568 5.791 -9.755
279 HG22 THR 33 HG22 THR 33 41.041 6.168 -8.958
280 HG23 THR 33 HG23 THR 33 41.237 4.636 -9.809
Start of MODEL 13
1 H1 ASP 1 HT1 ASP 1 7.067 -2.840 1.361
2 H2 ASP 1 HT2 ASP 1 6.539 -1.347 0.738
3 H3 ASP 1 HT3 ASP 1 6.263 -1.738 2.366
4 HA ASP 1 HA ASP 1 8.824 -1.928 2.486
5 HB2 ASP 1 HB2 ASP 1 9.651 0.054 0.943
6 HB3 ASP 1 HB1 ASP 1 9.575 -1.585 0.309
7 H VAL 2 HN VAL 2 9.747 -0.096 3.675
8 HA VAL 2 HA VAL 2 7.751 1.417 5.083
9 HB VAL 2 HB VAL 2 9.760 0.887 6.264
10 HG11 VAL 2 HG11 VAL 2 11.015 1.457 3.729
11 HG12 VAL 2 HG12 VAL 2 11.676 0.619 5.132
12 HG13 VAL 2 HG13 VAL 2 11.812 2.372 5.009
13 HG21 VAL 2 HG21 VAL 2 8.813 3.217 6.611
14 HG22 VAL 2 HG22 VAL 2 10.081 3.813 5.541
15 HG23 VAL 2 HG23 VAL 2 10.507 3.026 7.056
16 H ARG 3 HN ARG 3 10.504 3.133 3.695
17 HA ARG 3 HA ARG 3 8.770 5.240 2.673
18 HB2 ARG 3 HB2 ARG 3 11.269 5.502 1.416
19 HB3 ARG 3 HB1 ARG 3 10.728 6.347 2.863
20 HG2 ARG 3 HG2 ARG 3 11.607 4.515 4.269
21 HG3 ARG 3 HG1 ARG 3 12.160 3.673 2.820
22 HD2 ARG 3 HD2 ARG 3 13.746 5.370 2.312
23 HD3 ARG 3 HD1 ARG 3 13.030 6.494 3.459
24 HE ARG 3 HE ARG 3 14.709 4.138 4.164
25 HH11 ARG 3 HH21 ARG 3 12.955 6.997 5.041
26 HH12 ARG 3 HH22 ARG 3 13.620 7.066 6.638
27 HH21 ARG 3 HH11 ARG 3 15.589 4.245 6.253
28 HH22 ARG 3 HH12 ARG 3 15.128 5.543 7.306
29 H LEU 4 HN LEU 4 11.092 3.076 1.019
30 HA LEU 4 HA LEU 4 9.135 2.095 -0.826
31 HB2 LEU 4 HB2 LEU 4 9.738 4.608 -1.547
32 HB3 LEU 4 HB1 LEU 4 11.109 3.792 -2.296
33 HG LEU 4 HG LEU 4 9.496 2.223 -3.412
34 HD11 LEU 4 HD11 LEU 4 7.095 3.295 -3.499
35 HD12 LEU 4 HD12 LEU 4 7.560 4.004 -1.954
36 HD13 LEU 4 HD13 LEU 4 7.530 2.251 -2.148
37 HD21 LEU 4 HD21 LEU 4 8.865 5.124 -4.007
38 HD22 LEU 4 HD22 LEU 4 8.877 3.774 -5.140
39 HD23 LEU 4 HD23 LEU 4 10.391 4.368 -4.459
40 H ALA 5 HN ALA 5 9.956 0.257 -1.802
41 HA ALA 5 HA ALA 5 12.357 -0.937 -0.941
42 HB1 ALA 5 HB1 ALA 5 12.125 -2.101 -3.357
43 HB2 ALA 5 HB2 ALA 5 10.533 -1.346 -3.275
44 HB3 ALA 5 HB3 ALA 5 11.030 -2.489 -2.029
45 H LYS 6 HN LYS 6 11.820 1.464 -3.389
46 HA LYS 6 HA LYS 6 14.341 1.187 -4.761
47 HB2 LYS 6 HB2 LYS 6 12.060 3.017 -4.810
48 HB3 LYS 6 HB1 LYS 6 13.592 3.866 -5.000
49 HG2 LYS 6 HG2 LYS 6 13.135 1.352 -6.566
50 HG3 LYS 6 HG1 LYS 6 12.361 2.841 -7.105
51 HD2 LYS 6 HD2 LYS 6 14.292 3.646 -7.921
52 HD3 LYS 6 HD1 LYS 6 15.138 3.334 -6.403
53 HE2 LYS 6 HE2 LYS 6 16.197 1.993 -8.177
54 HE3 LYS 6 HE1 LYS 6 15.350 0.905 -7.072
55 HZ1 LYS 6 HZ1 LYS 6 13.483 0.853 -8.577
56 HZ2 LYS 6 HZ2 LYS 6 14.900 0.385 -9.390
57 HZ3 LYS 6 HZ3 LYS 6 14.252 1.937 -9.632
58 H THR 7 HN THR 7 13.207 3.494 -2.250
59 HA THR 7 HA THR 7 15.723 4.770 -1.842
60 HB THR 7 HB THR 7 14.836 5.451 0.335
61 HG1 THR 7 HG1 THR 7 13.967 3.548 1.078
62 HG21 THR 7 HG21 THR 7 13.736 6.119 -2.015
63 HG22 THR 7 HG22 THR 7 13.115 6.733 -0.483
64 HG23 THR 7 HG23 THR 7 12.331 5.363 -1.268
65 H LEU 8 HN LEU 8 14.216 2.022 -0.171
66 HA LEU 8 HA LEU 8 16.457 1.286 1.445
67 HB2 LEU 8 HB2 LEU 8 14.316 -0.475 0.194
68 HB3 LEU 8 HB1 LEU 8 15.374 -0.939 1.521
69 HG LEU 8 HG LEU 8 13.719 1.551 1.790
70 HD11 LEU 8 HD11 LEU 8 11.859 0.284 1.394
71 HD12 LEU 8 HD12 LEU 8 12.165 -0.316 3.022
72 HD13 LEU 8 HD13 LEU 8 12.724 -1.236 1.628
73 HD21 LEU 8 HD21 LEU 8 14.459 -0.586 3.807
74 HD22 LEU 8 HD22 LEU 8 13.904 1.055 4.132
75 HD23 LEU 8 HD23 LEU 8 15.504 0.788 3.444
76 H GLY 9 HN GLY 9 15.386 0.136 -1.759
77 HA2 GLY 9 HA2 GLY 9 17.518 -1.622 -2.303
78 HA3 GLY 9 HA1 GLY 9 16.614 -0.749 -3.540
79 H LEU 10 HN LEU 10 17.232 1.847 -3.133
80 HA LEU 10 HA LEU 10 19.834 2.170 -4.231
81 HB2 LEU 10 HB2 LEU 10 18.004 4.067 -2.744
82 HB3 LEU 10 HB1 LEU 10 19.558 4.585 -3.394
83 HG LEU 10 HG LEU 10 17.650 3.113 -5.187
84 HD11 LEU 10 HD11 LEU 10 16.292 4.889 -4.129
85 HD12 LEU 10 HD12 LEU 10 16.608 5.256 -5.823
86 HD13 LEU 10 HD13 LEU 10 17.518 6.084 -4.560
87 HD21 LEU 10 HD21 LEU 10 19.465 5.461 -5.783
88 HD22 LEU 10 HD22 LEU 10 18.823 4.264 -6.909
89 HD23 LEU 10 HD23 LEU 10 20.071 3.805 -5.752
90 H VAL 11 HN VAL 11 18.734 2.879 -0.891
91 HA VAL 11 HA VAL 11 21.261 3.420 0.222
92 HB VAL 11 HB VAL 11 18.936 1.957 1.521
93 HG11 VAL 11 HG11 VAL 11 19.879 2.695 3.630
94 HG12 VAL 11 HG12 VAL 11 21.157 3.585 2.800
95 HG13 VAL 11 HG13 VAL 11 21.128 1.821 2.747
96 HG21 VAL 11 HG21 VAL 11 17.937 3.996 1.877
97 HG22 VAL 11 HG22 VAL 11 18.816 4.421 0.410
98 HG23 VAL 11 HG23 VAL 11 19.473 4.850 1.988
99 H LEU 12 HN LEU 12 19.581 0.251 0.129
100 HA LEU 12 HA LEU 12 21.767 -1.272 1.142
101 HB2 LEU 12 HB2 LEU 12 19.329 -1.879 -0.489
102 HB3 LEU 12 HB1 LEU 12 20.584 -3.116 -0.377
103 HG LEU 12 HG LEU 12 19.894 -1.831 2.197
104 HD11 LEU 12 HD11 LEU 12 17.928 -3.867 1.219
105 HD12 LEU 12 HD12 LEU 12 17.689 -2.180 0.766
106 HD13 LEU 12 HD13 LEU 12 17.739 -2.636 2.467
107 HD21 LEU 12 HD21 LEU 12 21.402 -3.854 1.762
108 HD22 LEU 12 HD22 LEU 12 19.925 -4.757 1.422
109 HD23 LEU 12 HD23 LEU 12 20.181 -4.055 3.019
110 H ALA 13 HN ALA 13 20.750 -0.797 -2.259
111 HA ALA 13 HA ALA 13 22.896 -2.144 -3.483
112 HB1 ALA 13 HB1 ALA 13 21.388 0.318 -4.417
113 HB2 ALA 13 HB2 ALA 13 21.013 -1.362 -4.803
114 HB3 ALA 13 HB3 ALA 13 22.480 -0.617 -5.440
115 H VAL 14 HN VAL 14 22.745 1.179 -2.267
116 HA VAL 14 HA VAL 14 25.429 1.792 -3.252
117 HB VAL 14 HB VAL 14 23.606 3.279 -1.326
118 HG11 VAL 14 HG11 VAL 14 26.282 3.943 -2.558
119 HG12 VAL 14 HG12 VAL 14 25.788 4.078 -0.871
120 HG13 VAL 14 HG13 VAL 14 25.165 5.215 -2.066
121 HG21 VAL 14 HG21 VAL 14 24.276 3.984 -4.191
122 HG22 VAL 14 HG22 VAL 14 22.958 4.601 -3.195
123 HG23 VAL 14 HG23 VAL 14 22.908 2.943 -3.793
124 H LEU 15 HN LEU 15 23.915 1.152 -0.074
125 HA LEU 15 HA LEU 15 26.278 1.309 1.483
126 HB2 LEU 15 HB2 LEU 15 24.464 1.033 2.857
127 HB3 LEU 15 HB1 LEU 15 23.646 -0.069 1.752
128 HG LEU 15 HG LEU 15 26.153 -1.141 2.873
129 HD11 LEU 15 HD11 LEU 15 25.295 -1.540 5.101
130 HD12 LEU 15 HD12 LEU 15 23.761 -0.773 4.694
131 HD13 LEU 15 HD13 LEU 15 25.230 0.196 4.800
132 HD21 LEU 15 HD21 LEU 15 24.623 -2.539 1.587
133 HD22 LEU 15 HD22 LEU 15 23.294 -2.127 2.667
134 HD23 LEU 15 HD23 LEU 15 24.637 -3.103 3.258
135 H LEU 16 HN LEU 16 24.899 -1.401 -0.378
136 HA LEU 16 HA LEU 16 26.751 -3.419 0.245
137 HB2 LEU 16 HB2 LEU 16 25.328 -2.717 -2.317
138 HB3 LEU 16 HB1 LEU 16 26.426 -4.093 -2.238
139 HG LEU 16 HG LEU 16 24.094 -3.687 -0.341
140 HD11 LEU 16 HD11 LEU 16 23.156 -5.671 -1.677
141 HD12 LEU 16 HD12 LEU 16 24.343 -5.256 -2.913
142 HD13 LEU 16 HD13 LEU 16 23.094 -4.094 -2.461
143 HD21 LEU 16 HD21 LEU 16 25.463 -5.161 0.787
144 HD22 LEU 16 HD22 LEU 16 26.243 -5.732 -0.689
145 HD23 LEU 16 HD23 LEU 16 24.633 -6.312 -0.262
146 H ILE 17 HN ILE 17 27.389 -0.403 -1.244
147 HA ILE 17 HA ILE 17 30.171 -1.317 -1.762
148 HB ILE 17 HB ILE 17 28.702 -1.028 -3.888
149 HG12 ILE 17 HG12 ILE 17 30.690 0.393 -4.932
150 HG13 ILE 17 HG11 ILE 17 31.421 0.120 -3.351
151 HG21 ILE 17 HG21 ILE 17 29.230 1.872 -3.202
152 HG22 ILE 17 HG22 ILE 17 27.652 1.089 -3.208
153 HG23 ILE 17 HG23 ILE 17 28.546 1.276 -4.713
154 HD11 ILE 17 HD11 ILE 17 30.485 -1.968 -5.335
155 HD12 ILE 17 HD12 ILE 17 30.907 -2.348 -3.665
156 HD13 ILE 17 HD13 ILE 17 32.128 -1.694 -4.755
157 H CYS 18 HN CYS 18 28.393 0.424 0.219
158 HA CYS 18 HA CYS 18 30.539 2.376 0.716
159 HB2 CYS 18 HB2 CYS 18 27.868 3.112 -0.355
160 HB3 CYS 18 HB1 CYS 18 28.520 4.131 0.926
161 HG CYS 18 HG CYS 18 30.342 3.554 -1.533
162 H TRP 19 HN TRP 19 28.490 0.167 1.836
163 HA TRP 19 HA TRP 19 27.044 0.658 4.003
164 HB2 TRP 19 HB2 TRP 19 29.076 -1.031 5.085
165 HB3 TRP 19 HB1 TRP 19 27.531 -1.499 4.398
166 HD1 TRP 19 HD1 TRP 19 27.916 -3.289 2.654
167 HE1 TRP 19 HE1 TRP 19 29.580 -3.655 0.712
168 HE3 TRP 19 HE3 TRP 19 30.968 0.740 3.336
169 HZ2 TRP 19 HZ2 TRP 19 31.899 -2.395 -0.403
170 HZ3 TRP 19 HZ3 TRP 19 32.884 1.145 1.823
171 HH2 TRP 19 HH2 TRP 19 33.355 -0.414 -0.044
172 H PHE 20 HN PHE 20 30.163 0.071 5.448
173 HA PHE 20 HA PHE 20 30.513 2.840 6.321
174 HB2 PHE 20 HB2 PHE 20 30.160 0.981 8.631
175 HB3 PHE 20 HB1 PHE 20 29.868 2.705 8.525
176 HD1 PHE 20 HD2 PHE 20 28.458 -0.646 7.730
177 HD2 PHE 20 HD1 PHE 20 27.742 3.593 7.851
178 HE1 PHE 20 HE2 PHE 20 26.039 -1.045 7.404
179 HE2 PHE 20 HE1 PHE 20 25.320 3.188 7.529
180 HZ PHE 20 HZ PHE 20 24.467 0.874 7.308
181 HA PRO 21 HA PRO 21 34.064 0.340 8.106
182 HB2 PRO 21 HB2 PRO 21 33.988 -2.340 8.363
183 HB3 PRO 21 HB1 PRO 21 33.143 -1.274 9.496
184 HG2 PRO 21 HG2 PRO 21 32.054 -2.941 7.305
185 HG3 PRO 21 HG1 PRO 21 31.327 -2.491 8.856
186 HD2 PRO 21 HD2 PRO 21 30.794 -1.279 6.352
187 HD3 PRO 21 HD1 PRO 21 30.318 -0.663 7.944
188 H VAL 22 HN VAL 22 32.648 -1.621 5.502
189 HA VAL 22 HA VAL 22 35.047 -2.686 4.455
190 HB VAL 22 HB VAL 22 32.833 -1.906 2.600
191 HG11 VAL 22 HG11 VAL 22 34.773 -3.252 1.841
192 HG12 VAL 22 HG12 VAL 22 33.264 -4.159 1.727
193 HG13 VAL 22 HG13 VAL 22 34.382 -4.471 3.054
194 HG21 VAL 22 HG21 VAL 22 31.678 -4.071 3.492
195 HG22 VAL 22 HG22 VAL 22 31.450 -2.570 4.388
196 HG23 VAL 22 HG23 VAL 22 32.609 -3.770 4.959
197 H LEU 23 HN LEU 23 33.903 0.560 4.446
198 HA LEU 23 HA LEU 23 35.280 1.418 2.050
199 HB2 LEU 23 HB2 LEU 23 34.874 3.641 2.763
200 HB3 LEU 23 HB1 LEU 23 33.486 2.727 3.337
201 HG LEU 23 HG LEU 23 34.898 2.476 5.544
202 HD11 LEU 23 HD11 LEU 23 36.653 4.053 3.974
203 HD12 LEU 23 HD12 LEU 23 36.808 3.674 5.690
204 HD13 LEU 23 HD13 LEU 23 35.972 5.140 5.184
205 HD21 LEU 23 HD21 LEU 23 32.763 3.818 5.120
206 HD22 LEU 23 HD22 LEU 23 33.807 5.215 4.855
207 HD23 LEU 23 HD23 LEU 23 33.794 4.409 6.423
208 H ALA 24 HN ALA 24 36.195 1.057 5.452
209 HA ALA 24 HA ALA 24 38.861 2.146 5.145
210 HB1 ALA 24 HB1 ALA 24 39.322 0.781 7.245
211 HB2 ALA 24 HB2 ALA 24 37.653 0.218 7.156
212 HB3 ALA 24 HB3 ALA 24 37.995 1.932 7.391
213 H LEU 25 HN LEU 25 37.536 -1.164 5.170
214 HA LEU 25 HA LEU 25 39.994 -2.442 4.392
215 HB2 LEU 25 HB2 LEU 25 37.091 -3.200 4.206
216 HB3 LEU 25 HB1 LEU 25 38.317 -4.190 3.426
217 HG LEU 25 HG LEU 25 39.010 -3.445 6.186
218 HD11 LEU 25 HD11 LEU 25 36.577 -5.176 5.641
219 HD12 LEU 25 HD12 LEU 25 36.598 -3.647 6.521
220 HD13 LEU 25 HD13 LEU 25 37.400 -5.065 7.196
221 HD21 LEU 25 HD21 LEU 25 38.692 -6.163 4.886
222 HD22 LEU 25 HD22 LEU 25 39.698 -5.751 6.275
223 HD23 LEU 25 HD23 LEU 25 40.124 -5.156 4.671
224 H MET 26 HN MET 26 37.267 -1.067 2.575
225 HA MET 26 HA MET 26 38.097 -1.791 -0.035
226 HB2 MET 26 HB2 MET 26 35.931 -0.720 0.403
227 HB3 MET 26 HB1 MET 26 36.743 0.759 0.907
228 HG2 MET 26 HG2 MET 26 37.285 -0.398 -1.815
229 HG3 MET 26 HG1 MET 26 35.834 0.564 -1.546
230 HE1 MET 26 HE1 MET 26 35.646 2.799 -0.892
231 HE2 MET 26 HE2 MET 26 36.081 2.942 -2.593
232 HE3 MET 26 HE3 MET 26 36.782 4.049 -1.417
233 H ALA 27 HN ALA 27 39.011 1.003 1.985
234 HA ALA 27 HA ALA 27 40.893 2.140 0.116
235 HB1 ALA 27 HB1 ALA 27 41.113 2.246 3.134
236 HB2 ALA 27 HB2 ALA 27 39.978 3.249 2.230
237 HB3 ALA 27 HB3 ALA 27 41.713 3.422 1.966
238 H HIS 28 HN HIS 28 40.877 -0.851 1.472
239 HA HIS 28 HA HIS 28 43.860 -1.075 1.351
240 HB2 HIS 28 HB2 HIS 28 41.883 -2.478 3.180
241 HB3 HIS 28 HB1 HIS 28 43.551 -2.999 2.985
242 HD1 HIS 28 HD1 HIS 28 41.501 -0.034 4.190
243 HD2 HIS 28 HD2 HIS 28 45.426 -1.462 4.404
244 HE1 HIS 28 HE1 HIS 28 42.734 1.459 5.837
245 HE2 HIS 28 HE2 HIS 28 45.118 0.597 5.975
246 H SER 29 HN SER 29 40.923 -3.087 1.325
247 HA SER 29 HA SER 29 41.837 -5.169 -0.377
248 HB2 SER 29 HB2 SER 29 39.579 -4.802 0.963
249 HB3 SER 29 HB1 SER 29 39.018 -4.130 -0.559
250 HG SER 29 HG SER 29 38.661 -6.165 -0.994
251 H LEU 30 HN LEU 30 40.642 -1.940 -1.041
252 HA LEU 30 HA LEU 30 41.108 -2.406 -3.960
253 HB2 LEU 30 HB2 LEU 30 38.903 -1.239 -2.528
254 HB3 LEU 30 HB1 LEU 30 39.660 0.011 -3.510
255 HG LEU 30 HG LEU 30 39.149 -2.684 -4.737
256 HD11 LEU 30 HD11 LEU 30 36.891 -1.937 -5.405
257 HD12 LEU 30 HD12 LEU 30 37.076 -0.493 -4.410
258 HD13 LEU 30 HD13 LEU 30 37.020 -2.085 -3.653
259 HD21 LEU 30 HD21 LEU 30 40.396 -1.034 -6.025
260 HD22 LEU 30 HD22 LEU 30 39.155 0.184 -5.733
261 HD23 LEU 30 HD23 LEU 30 38.796 -1.218 -6.739
262 H ALA 31 HN ALA 31 41.258 0.094 -1.410
263 HA ALA 31 HA ALA 31 42.705 1.946 -1.200
264 HB1 ALA 31 HB1 ALA 31 44.704 -0.063 -2.277
265 HB2 ALA 31 HB2 ALA 31 44.122 -0.054 -0.615
266 HB3 ALA 31 HB3 ALA 31 45.041 1.318 -1.232
267 H THR 32 HN THR 32 45.186 1.551 -3.226
268 HA THR 32 HA THR 32 43.836 2.635 -5.642
269 HB THR 32 HB THR 32 46.385 3.948 -5.256
270 HG1 THR 32 HG1 THR 32 46.043 3.792 -3.069
271 HG21 THR 32 HG21 THR 32 45.047 5.941 -5.652
272 HG22 THR 32 HG22 THR 32 43.565 5.064 -5.271
273 HG23 THR 32 HG23 THR 32 44.481 4.656 -6.722
274 H THR 33 HN THR 33 45.625 2.734 -7.466
275 HA THR 33 HA THR 33 46.651 0.051 -7.746
276 HB THR 33 HB THR 33 47.746 1.132 -9.823
277 HG1 THR 33 HG1 THR 33 47.546 3.256 -8.709
278 HG21 THR 33 HG21 THR 33 45.592 1.258 -10.992
279 HG22 THR 33 HG22 THR 33 44.744 1.409 -9.452
280 HG23 THR 33 HG23 THR 33 45.579 -0.091 -9.855
Start of MODEL 14
1 H1 ASP 1 HT1 ASP 1 4.259 1.070 1.178
2 H2 ASP 1 HT2 ASP 1 5.493 1.366 0.048
3 H3 ASP 1 HT3 ASP 1 5.110 2.531 1.222
4 HA ASP 1 HA ASP 1 5.708 0.137 2.542
5 HB2 ASP 1 HB2 ASP 1 8.068 1.111 0.959
6 HB3 ASP 1 HB1 ASP 1 7.831 -0.444 1.750
7 H VAL 2 HN VAL 2 7.979 0.761 3.765
8 HA VAL 2 HA VAL 2 7.569 3.294 5.099
9 HB VAL 2 HB VAL 2 9.613 2.835 6.236
10 HG11 VAL 2 HG11 VAL 2 7.699 0.961 6.187
11 HG12 VAL 2 HG12 VAL 2 9.187 0.747 7.105
12 HG13 VAL 2 HG13 VAL 2 9.017 0.003 5.517
13 HG21 VAL 2 HG21 VAL 2 11.268 1.157 5.321
14 HG22 VAL 2 HG22 VAL 2 11.127 2.625 4.355
15 HG23 VAL 2 HG23 VAL 2 10.338 1.139 3.823
16 H ARG 3 HN ARG 3 9.530 2.117 2.459
17 HA ARG 3 HA ARG 3 9.482 4.755 1.204
18 HB2 ARG 3 HB2 ARG 3 12.093 3.352 1.879
19 HB3 ARG 3 HB1 ARG 3 11.957 4.641 0.683
20 HG2 ARG 3 HG2 ARG 3 11.138 6.187 2.380
21 HG3 ARG 3 HG1 ARG 3 11.158 4.901 3.592
22 HD2 ARG 3 HD2 ARG 3 13.668 5.564 2.068
23 HD3 ARG 3 HD1 ARG 3 13.198 6.551 3.449
24 HE ARG 3 HE ARG 3 14.137 3.765 3.553
25 HH11 ARG 3 HH21 ARG 3 12.458 6.363 5.086
26 HH12 ARG 3 HH22 ARG 3 12.718 5.766 6.690
27 HH21 ARG 3 HH11 ARG 3 14.472 2.961 5.645
28 HH22 ARG 3 HH12 ARG 3 13.838 3.827 7.004
29 H LEU 4 HN LEU 4 9.211 4.377 -1.000
30 HA LEU 4 HA LEU 4 8.474 1.944 -2.052
31 HB2 LEU 4 HB2 LEU 4 9.389 4.481 -3.164
32 HB3 LEU 4 HB1 LEU 4 9.882 3.124 -4.177
33 HG LEU 4 HG LEU 4 7.503 2.280 -4.066
34 HD11 LEU 4 HD11 LEU 4 5.766 3.839 -3.341
35 HD12 LEU 4 HD12 LEU 4 6.984 5.045 -2.925
36 HD13 LEU 4 HD13 LEU 4 6.878 3.543 -2.005
37 HD21 LEU 4 HD21 LEU 4 7.897 5.064 -5.203
38 HD22 LEU 4 HD22 LEU 4 6.660 3.910 -5.700
39 HD23 LEU 4 HD23 LEU 4 8.362 3.560 -5.999
40 H ALA 5 HN ALA 5 9.506 0.057 -2.564
41 HA ALA 5 HA ALA 5 11.983 -0.733 -1.691
42 HB1 ALA 5 HB1 ALA 5 12.025 -2.351 -3.652
43 HB2 ALA 5 HB2 ALA 5 10.583 -1.533 -4.256
44 HB3 ALA 5 HB3 ALA 5 10.540 -2.364 -2.702
45 H LYS 6 HN LYS 6 11.316 0.993 -4.703
46 HA LYS 6 HA LYS 6 13.895 0.966 -5.866
47 HB2 LYS 6 HB2 LYS 6 11.585 2.068 -6.642
48 HB3 LYS 6 HB1 LYS 6 12.297 3.506 -5.914
49 HG2 LYS 6 HG2 LYS 6 13.901 1.833 -7.839
50 HG3 LYS 6 HG1 LYS 6 12.758 3.033 -8.441
51 HD2 LYS 6 HD2 LYS 6 14.239 4.678 -8.034
52 HD3 LYS 6 HD1 LYS 6 14.288 4.235 -6.330
53 HE2 LYS 6 HE2 LYS 6 16.541 3.978 -7.039
54 HE3 LYS 6 HE1 LYS 6 15.899 2.333 -7.076
55 HZ1 LYS 6 HZ1 LYS 6 17.178 3.278 -9.108
56 HZ2 LYS 6 HZ2 LYS 6 15.689 4.009 -9.479
57 HZ3 LYS 6 HZ3 LYS 6 15.799 2.319 -9.346
58 H THR 7 HN THR 7 12.478 3.390 -3.658
59 HA THR 7 HA THR 7 14.813 4.924 -3.209
60 HB THR 7 HB THR 7 13.358 4.646 -0.754
61 HG1 THR 7 HG1 THR 7 11.766 3.646 -2.045
62 HG21 THR 7 HG21 THR 7 12.632 6.958 -1.330
63 HG22 THR 7 HG22 THR 7 13.323 6.741 -2.939
64 HG23 THR 7 HG23 THR 7 14.369 6.720 -1.517
65 H LEU 8 HN LEU 8 13.546 2.141 -1.372
66 HA LEU 8 HA LEU 8 15.740 1.880 0.420
67 HB2 LEU 8 HB2 LEU 8 13.780 -0.122 -0.718
68 HB3 LEU 8 HB1 LEU 8 14.984 -0.559 0.489
69 HG LEU 8 HG LEU 8 13.010 1.707 0.872
70 HD11 LEU 8 HD11 LEU 8 11.860 0.074 2.421
71 HD12 LEU 8 HD12 LEU 8 12.867 -1.196 1.727
72 HD13 LEU 8 HD13 LEU 8 11.717 -0.326 0.710
73 HD21 LEU 8 HD21 LEU 8 13.664 1.151 3.324
74 HD22 LEU 8 HD22 LEU 8 14.858 1.998 2.341
75 HD23 LEU 8 HD23 LEU 8 15.016 0.265 2.619
76 H GLY 9 HN GLY 9 15.279 0.825 -2.896
77 HA2 GLY 9 HA2 GLY 9 17.361 -1.019 -3.213
78 HA3 GLY 9 HA1 GLY 9 16.862 0.110 -4.472
79 H LEU 10 HN LEU 10 17.507 2.510 -2.980
80 HA LEU 10 HA LEU 10 20.237 2.869 -3.704
81 HB2 LEU 10 HB2 LEU 10 18.218 4.398 -2.176
82 HB3 LEU 10 HB1 LEU 10 19.889 4.734 -1.727
83 HG LEU 10 HG LEU 10 20.418 5.082 -4.158
84 HD11 LEU 10 HD11 LEU 10 17.400 4.923 -4.450
85 HD12 LEU 10 HD12 LEU 10 18.549 3.738 -5.069
86 HD13 LEU 10 HD13 LEU 10 18.534 5.376 -5.721
87 HD21 LEU 10 HD21 LEU 10 19.257 7.280 -4.317
88 HD22 LEU 10 HD22 LEU 10 19.944 7.006 -2.717
89 HD23 LEU 10 HD23 LEU 10 18.211 6.803 -2.978
90 H VAL 11 HN VAL 11 18.815 2.407 -0.450
91 HA VAL 11 HA VAL 11 21.229 2.237 0.997
92 HB VAL 11 HB VAL 11 18.899 0.396 1.559
93 HG11 VAL 11 HG11 VAL 11 20.958 0.354 2.994
94 HG12 VAL 11 HG12 VAL 11 19.504 0.821 3.872
95 HG13 VAL 11 HG13 VAL 11 20.670 2.050 3.385
96 HG21 VAL 11 HG21 VAL 11 17.759 2.427 1.107
97 HG22 VAL 11 HG22 VAL 11 19.044 3.404 1.815
98 HG23 VAL 11 HG23 VAL 11 17.994 2.443 2.854
99 H LEU 12 HN LEU 12 19.447 -0.321 -0.729
100 HA LEU 12 HA LEU 12 21.278 -2.452 -0.194
101 HB2 LEU 12 HB2 LEU 12 19.279 -1.876 -2.367
102 HB3 LEU 12 HB1 LEU 12 20.376 -3.244 -2.537
103 HG LEU 12 HG LEU 12 19.612 -3.857 -0.117
104 HD11 LEU 12 HD11 LEU 12 17.251 -3.130 0.313
105 HD12 LEU 12 HD12 LEU 12 17.397 -1.999 -1.031
106 HD13 LEU 12 HD13 LEU 12 18.413 -1.805 0.398
107 HD21 LEU 12 HD21 LEU 12 19.056 -5.207 -2.081
108 HD22 LEU 12 HD22 LEU 12 17.759 -4.092 -2.508
109 HD23 LEU 12 HD23 LEU 12 17.637 -5.066 -1.044
110 H ALA 13 HN ALA 13 20.998 -0.377 -3.094
111 HA ALA 13 HA ALA 13 23.407 -1.214 -4.347
112 HB1 ALA 13 HB1 ALA 13 21.783 1.321 -4.453
113 HB2 ALA 13 HB2 ALA 13 22.021 0.106 -5.708
114 HB3 ALA 13 HB3 ALA 13 23.324 1.223 -5.305
115 H VAL 14 HN VAL 14 22.824 1.261 -1.879
116 HA VAL 14 HA VAL 14 25.525 2.282 -1.886
117 HB VAL 14 HB VAL 14 23.360 2.346 0.247
118 HG11 VAL 14 HG11 VAL 14 24.747 4.262 1.154
119 HG12 VAL 14 HG12 VAL 14 26.043 3.747 0.075
120 HG13 VAL 14 HG13 VAL 14 25.480 2.668 1.353
121 HG21 VAL 14 HG21 VAL 14 22.638 4.310 -0.706
122 HG22 VAL 14 HG22 VAL 14 23.310 3.572 -2.160
123 HG23 VAL 14 HG23 VAL 14 24.252 4.758 -1.258
124 H LEU 15 HN LEU 15 23.827 -0.082 0.222
125 HA LEU 15 HA LEU 15 26.151 -0.741 1.752
126 HB2 LEU 15 HB2 LEU 15 24.481 -1.784 2.850
127 HB3 LEU 15 HB1 LEU 15 23.432 -1.770 1.437
128 HG LEU 15 HG LEU 15 25.674 -3.714 1.326
129 HD11 LEU 15 HD11 LEU 15 25.114 -3.981 3.667
130 HD12 LEU 15 HD12 LEU 15 24.417 -5.331 2.770
131 HD13 LEU 15 HD13 LEU 15 23.388 -3.996 3.295
132 HD21 LEU 15 HD21 LEU 15 23.820 -5.152 0.474
133 HD22 LEU 15 HD22 LEU 15 23.952 -3.636 -0.410
134 HD23 LEU 15 HD23 LEU 15 22.686 -3.841 0.800
135 H LEU 16 HN LEU 16 24.800 -2.039 -1.273
136 HA LEU 16 HA LEU 16 26.549 -4.169 -1.774
137 HB2 LEU 16 HB2 LEU 16 24.948 -2.332 -3.380
138 HB3 LEU 16 HB1 LEU 16 26.423 -2.811 -4.214
139 HG LEU 16 HG LEU 16 24.675 -4.865 -2.856
140 HD11 LEU 16 HD11 LEU 16 23.621 -5.248 -5.083
141 HD12 LEU 16 HD12 LEU 16 24.424 -3.798 -5.687
142 HD13 LEU 16 HD13 LEU 16 23.211 -3.670 -4.411
143 HD21 LEU 16 HD21 LEU 16 25.732 -6.314 -4.616
144 HD22 LEU 16 HD22 LEU 16 26.912 -5.593 -3.521
145 HD23 LEU 16 HD23 LEU 16 26.683 -4.923 -5.138
146 H ILE 17 HN ILE 17 27.229 -0.761 -1.647
147 HA ILE 17 HA ILE 17 30.070 -1.366 -2.333
148 HB ILE 17 HB ILE 17 28.683 -0.129 -4.112
149 HG12 ILE 17 HG12 ILE 17 31.100 1.377 -3.080
150 HG13 ILE 17 HG11 ILE 17 31.212 -0.168 -3.926
151 HG21 ILE 17 HG21 ILE 17 27.485 1.362 -2.536
152 HG22 ILE 17 HG22 ILE 17 28.361 2.276 -3.762
153 HG23 ILE 17 HG23 ILE 17 29.010 2.145 -2.129
154 HD11 ILE 17 HD11 ILE 17 29.840 2.295 -5.034
155 HD12 ILE 17 HD12 ILE 17 30.094 0.765 -5.874
156 HD13 ILE 17 HD13 ILE 17 31.472 1.782 -5.458
157 H CYS 18 HN CYS 18 28.356 -0.945 0.219
158 HA CYS 18 HA CYS 18 30.356 0.751 1.581
159 HB2 CYS 18 HB2 CYS 18 28.231 2.098 0.680
160 HB3 CYS 18 HB1 CYS 18 27.512 1.454 2.155
161 HG CYS 18 HG CYS 18 30.055 3.276 2.120
162 H TRP 19 HN TRP 19 28.061 -1.741 1.539
163 HA TRP 19 HA TRP 19 26.935 -2.705 3.563
164 HB2 TRP 19 HB2 TRP 19 29.385 -4.226 3.853
165 HB3 TRP 19 HB1 TRP 19 27.857 -4.710 3.128
166 HD1 TRP 19 HD1 TRP 19 27.999 -5.227 0.644
167 HE1 TRP 19 HE1 TRP 19 29.533 -4.525 -1.310
168 HE3 TRP 19 HE3 TRP 19 31.043 -1.932 3.059
169 HZ2 TRP 19 HZ2 TRP 19 31.762 -2.788 -1.779
170 HZ3 TRP 19 HZ3 TRP 19 32.851 -0.759 1.838
171 HH2 TRP 19 HH2 TRP 19 33.218 -1.181 -0.570
172 H PHE 20 HN PHE 20 30.244 -3.092 4.700
173 HA PHE 20 HA PHE 20 30.063 -1.034 6.713
174 HB2 PHE 20 HB2 PHE 20 29.202 -3.800 7.411
175 HB3 PHE 20 HB1 PHE 20 30.216 -2.959 8.582
176 HD1 PHE 20 HD1 PHE 20 29.408 -0.184 8.423
177 HD2 PHE 20 HD2 PHE 20 26.993 -3.727 8.129
178 HE1 PHE 20 HE1 PHE 20 27.432 1.096 9.191
179 HE2 PHE 20 HE2 PHE 20 25.019 -2.442 8.898
180 HZ PHE 20 HZ PHE 20 25.237 -0.032 9.430
181 HA PRO 21 HA PRO 21 34.035 -3.475 7.669
182 HB2 PRO 21 HB2 PRO 21 34.466 -5.889 6.439
183 HB3 PRO 21 HB1 PRO 21 33.653 -5.716 8.005
184 HG2 PRO 21 HG2 PRO 21 32.488 -6.168 5.305
185 HG3 PRO 21 HG1 PRO 21 31.984 -6.807 6.879
186 HD2 PRO 21 HD2 PRO 21 30.710 -4.724 5.622
187 HD3 PRO 21 HD1 PRO 21 30.733 -4.942 7.387
188 H VAL 22 HN VAL 22 33.132 -4.394 4.342
189 HA VAL 22 HA VAL 22 35.722 -4.165 3.249
190 HB VAL 22 HB VAL 22 33.143 -3.635 1.746
191 HG11 VAL 22 HG11 VAL 22 35.890 -4.673 1.002
192 HG12 VAL 22 HG12 VAL 22 35.051 -3.262 0.355
193 HG13 VAL 22 HG13 VAL 22 34.484 -4.883 -0.043
194 HG21 VAL 22 HG21 VAL 22 32.568 -5.653 2.712
195 HG22 VAL 22 HG22 VAL 22 34.244 -6.133 2.969
196 HG23 VAL 22 HG23 VAL 22 33.527 -6.260 1.364
197 H LEU 23 HN LEU 23 33.506 -1.600 4.112
198 HA LEU 23 HA LEU 23 34.492 0.347 2.258
199 HB2 LEU 23 HB2 LEU 23 33.494 2.010 3.647
200 HB3 LEU 23 HB1 LEU 23 32.444 0.601 3.730
201 HG LEU 23 HG LEU 23 33.956 0.003 5.824
202 HD11 LEU 23 HD11 LEU 23 34.808 2.680 5.125
203 HD12 LEU 23 HD12 LEU 23 35.429 1.613 6.383
204 HD13 LEU 23 HD13 LEU 23 34.067 2.676 6.725
205 HD21 LEU 23 HD21 LEU 23 31.467 0.564 5.719
206 HD22 LEU 23 HD22 LEU 23 31.920 2.235 6.054
207 HD23 LEU 23 HD23 LEU 23 32.272 0.972 7.233
208 H ALA 24 HN ALA 24 35.685 -0.751 5.400
209 HA ALA 24 HA ALA 24 37.829 1.207 5.540
210 HB1 ALA 24 HB1 ALA 24 38.793 -0.351 7.230
211 HB2 ALA 24 HB2 ALA 24 37.535 -1.523 6.835
212 HB3 ALA 24 HB3 ALA 24 37.102 0.025 7.559
213 H LEU 25 HN LEU 25 37.598 -2.185 4.496
214 HA LEU 25 HA LEU 25 40.333 -2.349 3.583
215 HB2 LEU 25 HB2 LEU 25 37.838 -3.973 3.164
216 HB3 LEU 25 HB1 LEU 25 39.229 -4.256 2.119
217 HG LEU 25 HG LEU 25 40.636 -4.510 4.207
218 HD11 LEU 25 HD11 LEU 25 39.267 -5.095 6.279
219 HD12 LEU 25 HD12 LEU 25 37.885 -4.362 5.468
220 HD13 LEU 25 HD13 LEU 25 39.302 -3.384 5.854
221 HD21 LEU 25 HD21 LEU 25 39.965 -6.513 3.075
222 HD22 LEU 25 HD22 LEU 25 38.311 -6.377 3.672
223 HD23 LEU 25 HD23 LEU 25 39.620 -6.780 4.783
224 H MET 26 HN MET 26 37.276 -1.424 2.086
225 HA MET 26 HA MET 26 38.146 -1.404 -0.607
226 HB2 MET 26 HB2 MET 26 35.794 -1.214 -0.101
227 HB3 MET 26 HB1 MET 26 36.057 0.269 0.810
228 HG2 MET 26 HG2 MET 26 37.124 0.456 -1.902
229 HG3 MET 26 HG1 MET 26 35.401 0.091 -1.898
230 HE1 MET 26 HE1 MET 26 36.169 2.597 -3.239
231 HE2 MET 26 HE2 MET 26 37.674 2.789 -2.342
232 HE3 MET 26 HE3 MET 26 36.463 4.067 -2.297
233 H ALA 27 HN ALA 27 37.680 1.530 1.405
234 HA ALA 27 HA ALA 27 39.479 3.038 -0.313
235 HB1 ALA 27 HB1 ALA 27 38.260 3.706 2.385
236 HB2 ALA 27 HB2 ALA 27 37.617 4.161 0.808
237 HB3 ALA 27 HB3 ALA 27 39.139 4.850 1.370
238 H HIS 28 HN HIS 28 40.797 0.758 0.699
239 HA HIS 28 HA HIS 28 43.176 1.998 1.761
240 HB2 HIS 28 HB2 HIS 28 41.587 1.693 3.813
241 HB3 HIS 28 HB1 HIS 28 41.983 -0.018 3.661
242 HD1 HIS 28 HD1 HIS 28 44.678 -0.550 3.635
243 HD2 HIS 28 HD2 HIS 28 43.511 3.159 5.163
244 HE1 HIS 28 HE1 HIS 28 46.659 0.355 4.936
245 HE2 HIS 28 HE2 HIS 28 45.958 2.604 5.875
246 H SER 29 HN SER 29 41.699 -1.229 2.152
247 HA SER 29 HA SER 29 44.062 -2.599 1.215
248 HB2 SER 29 HB2 SER 29 41.407 -3.314 2.182
249 HB3 SER 29 HB1 SER 29 41.874 -4.323 0.823
250 HG SER 29 HG SER 29 42.662 -5.231 2.732
251 H LEU 30 HN LEU 30 41.014 -1.583 -0.299
252 HA LEU 30 HA LEU 30 42.047 -2.475 -2.948
253 HB2 LEU 30 HB2 LEU 30 39.389 -1.450 -1.973
254 HB3 LEU 30 HB1 LEU 30 39.775 -1.450 -3.688
255 HG LEU 30 HG LEU 30 40.547 -3.995 -2.781
256 HD11 LEU 30 HD11 LEU 30 37.771 -3.315 -1.769
257 HD12 LEU 30 HD12 LEU 30 39.185 -3.485 -0.728
258 HD13 LEU 30 HD13 LEU 30 38.594 -4.870 -1.646
259 HD21 LEU 30 HD21 LEU 30 38.161 -2.924 -4.303
260 HD22 LEU 30 HD22 LEU 30 38.450 -4.653 -4.107
261 HD23 LEU 30 HD23 LEU 30 39.629 -3.653 -4.954
262 H ALA 31 HN ALA 31 43.693 -0.588 -1.968
263 HA ALA 31 HA ALA 31 42.929 2.136 -2.393
264 HB1 ALA 31 HB1 ALA 31 45.514 2.377 -2.782
265 HB2 ALA 31 HB2 ALA 31 45.560 0.679 -2.304
266 HB3 ALA 31 HB3 ALA 31 44.925 1.892 -1.192
267 H THR 32 HN THR 32 41.664 1.445 -4.447
268 HA THR 32 HA THR 32 43.251 2.297 -6.788
269 HB THR 32 HB THR 32 42.021 0.290 -8.037
270 HG1 THR 32 HG1 THR 32 41.649 -0.235 -5.419
271 HG21 THR 32 HG21 THR 32 44.056 -0.945 -7.963
272 HG22 THR 32 HG22 THR 32 44.453 -0.340 -6.355
273 HG23 THR 32 HG23 THR 32 44.522 0.741 -7.748
274 H THR 33 HN THR 33 41.726 2.844 -8.624
275 HA THR 33 HA THR 33 39.152 3.812 -7.503
276 HB THR 33 HB THR 33 39.071 5.298 -9.402
277 HG1 THR 33 HG1 THR 33 39.786 3.721 -10.914
278 HG21 THR 33 HG21 THR 33 40.775 5.741 -7.549
279 HG22 THR 33 HG22 THR 33 41.053 6.576 -9.074
280 HG23 THR 33 HG23 THR 33 41.997 5.145 -8.668
Start of MODEL 15
1 H1 ASP 1 HT1 ASP 1 6.714 0.547 0.628
2 H2 ASP 1 HT2 ASP 1 6.148 -1.041 0.431
3 H3 ASP 1 HT3 ASP 1 7.602 -0.562 -0.305
4 HA ASP 1 HA ASP 1 7.387 -1.822 2.095
5 HB2 ASP 1 HB2 ASP 1 9.669 0.033 1.395
6 HB3 ASP 1 HB1 ASP 1 9.740 -1.539 2.186
7 H VAL 2 HN VAL 2 9.039 -0.523 3.927
8 HA VAL 2 HA VAL 2 7.403 1.256 5.440
9 HB VAL 2 HB VAL 2 9.541 0.226 6.244
10 HG11 VAL 2 HG11 VAL 2 11.664 0.987 5.539
11 HG12 VAL 2 HG12 VAL 2 10.970 2.370 4.692
12 HG13 VAL 2 HG13 VAL 2 10.751 0.740 4.051
13 HG21 VAL 2 HG21 VAL 2 9.898 3.197 6.426
14 HG22 VAL 2 HG22 VAL 2 10.062 1.980 7.694
15 HG23 VAL 2 HG23 VAL 2 8.460 2.453 7.128
16 H ARG 3 HN ARG 3 9.545 1.641 2.775
17 HA ARG 3 HA ARG 3 8.534 4.384 2.303
18 HB2 ARG 3 HB2 ARG 3 11.409 3.414 2.277
19 HB3 ARG 3 HB1 ARG 3 10.893 4.925 1.553
20 HG2 ARG 3 HG2 ARG 3 10.188 5.825 3.648
21 HG3 ARG 3 HG1 ARG 3 10.288 4.251 4.432
22 HD2 ARG 3 HD2 ARG 3 12.246 5.365 5.138
23 HD3 ARG 3 HD1 ARG 3 12.803 4.321 3.831
24 HE ARG 3 HE ARG 3 12.125 6.781 2.630
25 HH11 ARG 3 HH21 ARG 3 14.258 5.583 5.087
26 HH12 ARG 3 HH22 ARG 3 15.474 6.781 4.794
27 HH21 ARG 3 HH11 ARG 3 13.702 8.351 2.248
28 HH22 ARG 3 HH12 ARG 3 15.174 8.335 3.167
29 H LEU 4 HN LEU 4 11.042 3.342 0.256
30 HA LEU 4 HA LEU 4 9.208 1.792 -1.486
31 HB2 LEU 4 HB2 LEU 4 10.419 4.396 -2.135
32 HB3 LEU 4 HB1 LEU 4 10.797 3.142 -3.315
33 HG LEU 4 HG LEU 4 8.192 2.617 -3.078
34 HD11 LEU 4 HD11 LEU 4 8.411 5.567 -2.397
35 HD12 LEU 4 HD12 LEU 4 7.799 4.302 -1.328
36 HD13 LEU 4 HD13 LEU 4 6.916 4.720 -2.797
37 HD21 LEU 4 HD21 LEU 4 7.836 4.370 -4.937
38 HD22 LEU 4 HD22 LEU 4 9.099 3.168 -5.211
39 HD23 LEU 4 HD23 LEU 4 9.529 4.798 -4.693
40 H ALA 5 HN ALA 5 10.191 -0.059 -2.107
41 HA ALA 5 HA ALA 5 12.567 -1.040 -1.113
42 HB1 ALA 5 HB1 ALA 5 11.463 -1.582 -3.894
43 HB2 ALA 5 HB2 ALA 5 11.004 -2.434 -2.418
44 HB3 ALA 5 HB3 ALA 5 12.643 -2.590 -3.053
45 H LYS 6 HN LYS 6 12.171 0.775 -4.120
46 HA LYS 6 HA LYS 6 14.713 0.816 -5.196
47 HB2 LYS 6 HB2 LYS 6 12.653 2.110 -5.991
48 HB3 LYS 6 HB1 LYS 6 13.080 3.342 -4.810
49 HG2 LYS 6 HG2 LYS 6 14.058 4.036 -6.886
50 HG3 LYS 6 HG1 LYS 6 15.377 3.430 -5.885
51 HD2 LYS 6 HD2 LYS 6 15.212 1.228 -7.042
52 HD3 LYS 6 HD1 LYS 6 13.955 1.898 -8.085
53 HE2 LYS 6 HE2 LYS 6 16.612 3.300 -7.855
54 HE3 LYS 6 HE1 LYS 6 16.443 1.904 -8.919
55 HZ1 LYS 6 HZ1 LYS 6 15.346 4.571 -9.180
56 HZ2 LYS 6 HZ2 LYS 6 14.272 3.312 -9.567
57 HZ3 LYS 6 HZ3 LYS 6 15.763 3.440 -10.371
58 H THR 7 HN THR 7 13.571 3.191 -2.771
59 HA THR 7 HA THR 7 16.015 4.430 -2.197
60 HB THR 7 HB THR 7 14.592 3.980 0.270
61 HG1 THR 7 HG1 THR 7 12.903 3.290 -1.135
62 HG21 THR 7 HG21 THR 7 14.495 6.366 -1.592
63 HG22 THR 7 HG22 THR 7 15.846 6.025 -0.509
64 HG23 THR 7 HG23 THR 7 14.246 6.363 0.156
65 H LEU 8 HN LEU 8 14.608 1.576 -0.616
66 HA LEU 8 HA LEU 8 16.861 0.943 1.017
67 HB2 LEU 8 HB2 LEU 8 14.621 -0.728 -0.151
68 HB3 LEU 8 HB1 LEU 8 15.835 -1.399 0.927
69 HG LEU 8 HG LEU 8 14.028 0.946 1.597
70 HD11 LEU 8 HD11 LEU 8 13.018 -0.697 3.212
71 HD12 LEU 8 HD12 LEU 8 13.959 -1.971 2.435
72 HD13 LEU 8 HD13 LEU 8 12.725 -1.100 1.519
73 HD21 LEU 8 HD21 LEU 8 16.271 -0.470 3.014
74 HD22 LEU 8 HD22 LEU 8 14.944 0.208 3.959
75 HD23 LEU 8 HD23 LEU 8 15.919 1.257 2.932
76 H GLY 9 HN GLY 9 15.890 -0.145 -2.225
77 HA2 GLY 9 HA2 GLY 9 18.038 -1.913 -2.739
78 HA3 GLY 9 HA1 GLY 9 17.167 -1.018 -3.981
79 H LEU 10 HN LEU 10 17.745 1.585 -3.371
80 HA LEU 10 HA LEU 10 20.387 1.928 -4.422
81 HB2 LEU 10 HB2 LEU 10 18.463 3.802 -3.031
82 HB3 LEU 10 HB1 LEU 10 20.054 4.338 -3.572
83 HG LEU 10 HG LEU 10 18.234 2.884 -5.480
84 HD11 LEU 10 HD11 LEU 10 18.129 5.819 -4.734
85 HD12 LEU 10 HD12 LEU 10 16.814 4.646 -4.663
86 HD13 LEU 10 HD13 LEU 10 17.447 5.166 -6.223
87 HD21 LEU 10 HD21 LEU 10 20.370 5.019 -5.796
88 HD22 LEU 10 HD22 LEU 10 19.482 4.263 -7.118
89 HD23 LEU 10 HD23 LEU 10 20.574 3.298 -6.125
90 H VAL 11 HN VAL 11 19.119 2.558 -1.131
91 HA VAL 11 HA VAL 11 21.561 3.157 0.126
92 HB VAL 11 HB VAL 11 19.284 1.517 1.290
93 HG11 VAL 11 HG11 VAL 11 20.091 2.556 3.442
94 HG12 VAL 11 HG12 VAL 11 21.497 3.160 2.563
95 HG13 VAL 11 HG13 VAL 11 21.235 1.421 2.725
96 HG21 VAL 11 HG21 VAL 11 19.453 4.374 1.956
97 HG22 VAL 11 HG22 VAL 11 18.058 3.419 1.460
98 HG23 VAL 11 HG23 VAL 11 19.148 4.081 0.246
99 H LEU 12 HN LEU 12 20.046 -0.043 -0.331
100 HA LEU 12 HA LEU 12 22.176 -1.580 0.788
101 HB2 LEU 12 HB2 LEU 12 19.806 -2.346 0.071
102 HB3 LEU 12 HB1 LEU 12 20.491 -2.492 -1.547
103 HG LEU 12 HG LEU 12 22.383 -3.756 0.047
104 HD11 LEU 12 HD11 LEU 12 20.832 -3.691 1.966
105 HD12 LEU 12 HD12 LEU 12 21.088 -5.347 1.421
106 HD13 LEU 12 HD13 LEU 12 19.597 -4.502 1.002
107 HD21 LEU 12 HD21 LEU 12 20.020 -5.042 -1.364
108 HD22 LEU 12 HD22 LEU 12 21.580 -5.797 -1.028
109 HD23 LEU 12 HD23 LEU 12 21.475 -4.462 -2.178
110 H ALA 13 HN ALA 13 21.477 -0.828 -2.645
111 HA ALA 13 HA ALA 13 23.813 -1.963 -3.751
112 HB1 ALA 13 HB1 ALA 13 23.473 -0.421 -5.649
113 HB2 ALA 13 HB2 ALA 13 22.366 0.543 -4.670
114 HB3 ALA 13 HB3 ALA 13 21.935 -1.108 -5.121
115 H VAL 14 HN VAL 14 23.326 1.210 -2.255
116 HA VAL 14 HA VAL 14 26.043 2.091 -2.878
117 HB VAL 14 HB VAL 14 24.084 3.216 -0.841
118 HG11 VAL 14 HG11 VAL 14 25.419 5.210 -0.943
119 HG12 VAL 14 HG12 VAL 14 26.353 4.593 -2.305
120 HG13 VAL 14 HG13 VAL 14 26.545 3.874 -0.707
121 HG21 VAL 14 HG21 VAL 14 22.989 4.311 -2.520
122 HG22 VAL 14 HG22 VAL 14 23.647 3.044 -3.551
123 HG23 VAL 14 HG23 VAL 14 24.474 4.597 -3.429
124 H LEU 15 HN LEU 15 24.326 0.949 0.048
125 HA LEU 15 HA LEU 15 26.600 1.004 1.761
126 HB2 LEU 15 HB2 LEU 15 24.779 0.552 3.056
127 HB3 LEU 15 HB1 LEU 15 23.945 -0.318 1.772
128 HG LEU 15 HG LEU 15 26.350 -1.680 2.824
129 HD11 LEU 15 HD11 LEU 15 25.340 -2.396 4.901
130 HD12 LEU 15 HD12 LEU 15 23.861 -1.506 4.543
131 HD13 LEU 15 HD13 LEU 15 25.352 -0.633 4.886
132 HD21 LEU 15 HD21 LEU 15 25.002 -3.618 2.515
133 HD22 LEU 15 HD22 LEU 15 24.570 -2.550 1.180
134 HD23 LEU 15 HD23 LEU 15 23.509 -2.684 2.583
135 H LEU 16 HN LEU 16 25.391 -1.478 -0.480
136 HA LEU 16 HA LEU 16 27.197 -3.552 0.081
137 HB2 LEU 16 HB2 LEU 16 25.864 -2.609 -2.436
138 HB3 LEU 16 HB1 LEU 16 27.085 -3.876 -2.538
139 HG LEU 16 HG LEU 16 24.673 -3.982 -0.698
140 HD11 LEU 16 HD11 LEU 16 23.894 -5.746 -2.327
141 HD12 LEU 16 HD12 LEU 16 25.176 -5.214 -3.420
142 HD13 LEU 16 HD13 LEU 16 23.879 -4.102 -2.969
143 HD21 LEU 16 HD21 LEU 16 25.468 -6.529 -0.978
144 HD22 LEU 16 HD22 LEU 16 26.142 -5.477 0.265
145 HD23 LEU 16 HD23 LEU 16 27.023 -5.741 -1.240
146 H ILE 17 HN ILE 17 27.904 -0.403 -1.014
147 HA ILE 17 HA ILE 17 30.718 -1.241 -1.501
148 HB ILE 17 HB ILE 17 29.418 -0.714 -3.638
149 HG12 ILE 17 HG12 ILE 17 31.714 1.191 -3.151
150 HG13 ILE 17 HG11 ILE 17 31.957 -0.551 -3.291
151 HG21 ILE 17 HG21 ILE 17 29.486 2.048 -2.403
152 HG22 ILE 17 HG22 ILE 17 28.067 1.137 -2.912
153 HG23 ILE 17 HG23 ILE 17 29.198 1.748 -4.116
154 HD11 ILE 17 HD11 ILE 17 30.661 -0.413 -5.489
155 HD12 ILE 17 HD12 ILE 17 32.266 0.316 -5.490
156 HD13 ILE 17 HD13 ILE 17 30.833 1.337 -5.363
157 H CYS 18 HN CYS 18 28.908 0.140 0.669
158 HA CYS 18 HA CYS 18 30.979 2.069 1.471
159 HB2 CYS 18 HB2 CYS 18 28.239 2.885 0.581
160 HB3 CYS 18 HB1 CYS 18 29.009 3.772 1.895
161 HG CYS 18 HG CYS 18 30.717 3.420 -0.660
162 H TRP 19 HN TRP 19 28.680 -0.221 2.181
163 HA TRP 19 HA TRP 19 27.268 -0.077 4.353
164 HB2 TRP 19 HB2 TRP 19 29.299 -1.880 5.288
165 HB3 TRP 19 HB1 TRP 19 27.746 -2.256 4.561
166 HD1 TRP 19 HD1 TRP 19 28.076 -3.817 2.594
167 HE1 TRP 19 HE1 TRP 19 29.741 -3.994 0.629
168 HE3 TRP 19 HE3 TRP 19 31.249 -0.003 3.777
169 HZ2 TRP 19 HZ2 TRP 19 32.099 -2.687 -0.316
170 HZ3 TRP 19 HZ3 TRP 19 33.184 0.520 2.324
171 HH2 TRP 19 HH2 TRP 19 33.614 -0.813 0.285
172 H PHE 20 HN PHE 20 30.283 -0.840 5.908
173 HA PHE 20 HA PHE 20 30.450 1.820 7.175
174 HB2 PHE 20 HB2 PHE 20 30.344 -0.404 9.154
175 HB3 PHE 20 HB1 PHE 20 29.788 1.254 9.296
176 HD1 PHE 20 HD1 PHE 20 27.648 1.933 8.042
177 HD2 PHE 20 HD2 PHE 20 28.802 -2.156 8.669
178 HE1 PHE 20 HE1 PHE 20 25.318 1.209 7.614
179 HE2 PHE 20 HE2 PHE 20 26.473 -2.882 8.230
180 HZ PHE 20 HZ PHE 20 24.729 -1.199 7.704
181 HA PRO 21 HA PRO 21 34.247 -0.603 8.479
182 HB2 PRO 21 HB2 PRO 21 34.326 -3.322 8.318
183 HB3 PRO 21 HB1 PRO 21 33.548 -2.451 9.651
184 HG2 PRO 21 HG2 PRO 21 32.330 -3.994 7.487
185 HG3 PRO 21 HG1 PRO 21 31.638 -3.467 9.026
186 HD2 PRO 21 HD2 PRO 21 31.294 -2.270 6.404
187 HD3 PRO 21 HD1 PRO 21 30.512 -1.824 7.932
188 H VAL 22 HN VAL 22 33.039 -2.545 5.748
189 HA VAL 22 HA VAL 22 35.499 -3.169 4.552
190 HB VAL 22 HB VAL 22 33.128 -2.496 2.833
191 HG11 VAL 22 HG11 VAL 22 35.146 -3.435 1.796
192 HG12 VAL 22 HG12 VAL 22 33.826 -4.603 1.724
193 HG13 VAL 22 HG13 VAL 22 35.105 -4.793 2.920
194 HG21 VAL 22 HG21 VAL 22 33.271 -4.571 5.006
195 HG22 VAL 22 HG22 VAL 22 32.403 -4.941 3.518
196 HG23 VAL 22 HG23 VAL 22 31.904 -3.572 4.510
197 H LEU 23 HN LEU 23 34.042 -0.071 4.857
198 HA LEU 23 HA LEU 23 35.258 1.103 2.500
199 HB2 LEU 23 HB2 LEU 23 34.636 3.225 3.397
200 HB3 LEU 23 HB1 LEU 23 33.333 2.123 3.827
201 HG LEU 23 HG LEU 23 34.718 1.791 6.042
202 HD11 LEU 23 HD11 LEU 23 35.491 4.593 5.951
203 HD12 LEU 23 HD12 LEU 23 36.351 3.667 4.727
204 HD13 LEU 23 HD13 LEU 23 36.450 3.193 6.421
205 HD21 LEU 23 HD21 LEU 23 33.455 3.605 7.070
206 HD22 LEU 23 HD22 LEU 23 32.466 2.842 5.828
207 HD23 LEU 23 HD23 LEU 23 33.247 4.389 5.506
208 H ALA 24 HN ALA 24 36.209 0.748 5.894
209 HA ALA 24 HA ALA 24 38.721 2.144 5.655
210 HB1 ALA 24 HB1 ALA 24 37.729 1.580 7.852
211 HB2 ALA 24 HB2 ALA 24 39.349 0.904 7.700
212 HB3 ALA 24 HB3 ALA 24 37.938 -0.138 7.505
213 H LEU 25 HN LEU 25 37.748 -1.245 5.315
214 HA LEU 25 HA LEU 25 40.346 -2.229 4.531
215 HB2 LEU 25 HB2 LEU 25 37.609 -3.236 4.668
216 HB3 LEU 25 HB1 LEU 25 38.443 -3.810 3.229
217 HG LEU 25 HG LEU 25 40.383 -4.443 4.758
218 HD11 LEU 25 HD11 LEU 25 40.242 -3.625 6.863
219 HD12 LEU 25 HD12 LEU 25 39.039 -4.882 7.156
220 HD13 LEU 25 HD13 LEU 25 38.525 -3.262 6.688
221 HD21 LEU 25 HD21 LEU 25 39.523 -6.564 4.917
222 HD22 LEU 25 HD22 LEU 25 38.221 -5.875 3.950
223 HD23 LEU 25 HD23 LEU 25 38.039 -6.019 5.700
224 H MET 26 HN MET 26 37.426 -1.502 2.589
225 HA MET 26 HA MET 26 38.425 -1.710 0.024
226 HB2 MET 26 HB2 MET 26 36.118 -1.076 0.423
227 HB3 MET 26 HB1 MET 26 36.617 0.448 1.149
228 HG2 MET 26 HG2 MET 26 37.705 1.019 -1.089
229 HG3 MET 26 HG1 MET 26 36.882 -0.391 -1.752
230 HE1 MET 26 HE1 MET 26 36.838 3.151 -0.677
231 HE2 MET 26 HE2 MET 26 36.011 2.568 0.767
232 HE3 MET 26 HE3 MET 26 35.150 3.599 -0.374
233 H ALA 27 HN ALA 27 38.875 1.089 2.201
234 HA ALA 27 HA ALA 27 40.302 2.760 0.411
235 HB1 ALA 27 HB1 ALA 27 40.823 2.402 3.380
236 HB2 ALA 27 HB2 ALA 27 39.567 3.436 2.698
237 HB3 ALA 27 HB3 ALA 27 41.267 3.803 2.405
238 H HIS 28 HN HIS 28 41.181 -0.253 1.777
239 HA HIS 28 HA HIS 28 43.953 0.080 0.708
240 HB2 HIS 28 HB2 HIS 28 43.218 -0.430 3.387
241 HB3 HIS 28 HB1 HIS 28 43.769 -1.973 2.747
242 HD1 HIS 28 HD1 HIS 28 46.009 -1.170 0.879
243 HD2 HIS 28 HD2 HIS 28 45.457 0.644 4.602
244 HE1 HIS 28 HE1 HIS 28 48.219 -0.092 1.494
245 HE2 HIS 28 HE2 HIS 28 47.904 0.993 3.768
246 H SER 29 HN SER 29 41.520 -2.328 1.711
247 HA SER 29 HA SER 29 42.366 -4.557 0.237
248 HB2 SER 29 HB2 SER 29 39.477 -3.692 0.435
249 HB3 SER 29 HB1 SER 29 40.112 -5.330 0.409
250 HG SER 29 HG SER 29 40.574 -5.186 2.473
251 H LEU 30 HN LEU 30 40.829 -1.605 -0.853
252 HA LEU 30 HA LEU 30 41.120 -2.566 -3.671
253 HB2 LEU 30 HB2 LEU 30 38.945 -1.006 -2.329
254 HB3 LEU 30 HB1 LEU 30 39.375 -0.552 -3.976
255 HG LEU 30 HG LEU 30 39.225 -3.147 -4.428
256 HD11 LEU 30 HD11 LEU 30 38.909 -3.830 -2.104
257 HD12 LEU 30 HD12 LEU 30 37.446 -4.185 -3.018
258 HD13 LEU 30 HD13 LEU 30 37.502 -2.778 -1.956
259 HD21 LEU 30 HD21 LEU 30 36.733 -1.475 -3.965
260 HD22 LEU 30 HD22 LEU 30 36.869 -2.871 -5.034
261 HD23 LEU 30 HD23 LEU 30 37.751 -1.392 -5.402
262 H ALA 31 HN ALA 31 40.944 0.382 -1.660
263 HA ALA 31 HA ALA 31 42.135 2.397 -1.810
264 HB1 ALA 31 HB1 ALA 31 44.509 1.034 -2.967
265 HB2 ALA 31 HB2 ALA 31 43.915 0.388 -1.439
266 HB3 ALA 31 HB3 ALA 31 44.388 2.084 -1.554
267 H THR 32 HN THR 32 44.264 2.985 -3.691
268 HA THR 32 HA THR 32 43.336 2.582 -6.400
269 HB THR 32 HB THR 32 43.023 5.391 -5.285
270 HG1 THR 32 HG1 THR 32 41.351 3.252 -5.203
271 HG21 THR 32 HG21 THR 32 43.492 5.463 -7.626
272 HG22 THR 32 HG22 THR 32 41.742 5.633 -7.489
273 HG23 THR 32 HG23 THR 32 42.444 4.083 -7.952
274 H THR 33 HN THR 33 44.833 3.665 -7.920
275 HA THR 33 HA THR 33 47.474 4.138 -6.651
276 HB THR 33 HB THR 33 48.157 4.163 -9.169
277 HG1 THR 33 HG1 THR 33 45.963 4.386 -9.854
278 HG21 THR 33 HG21 THR 33 48.581 2.302 -7.564
279 HG22 THR 33 HG22 THR 33 48.254 1.720 -9.197
280 HG23 THR 33 HG23 THR 33 46.998 1.633 -7.960
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