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 |
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26161 |
2kfq   |
16187 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 H TYR 1 -10.302 -10.703 -15.863
2 HA TYR 1 HA TYR 1 -8.595 -11.895 -15.104
3 HB2 TYR 1 1HB TYR 1 -6.280 -10.656 -15.359
4 HB3 TYR 1 2HB TYR 1 -7.214 -10.885 -16.824
5 HD1 TYR 1 1HD TYR 1 -8.899 -8.884 -17.385
6 HD2 TYR 1 2HD TYR 1 -5.424 -8.542 -14.913
7 HE1 TYR 1 1HE TYR 1 -8.836 -6.378 -17.808
8 HE2 TYR 1 2HE TYR 1 -5.372 -6.037 -15.345
9 HH TYR 1 HH TYR 1 -6.139 -4.488 -17.039
10 H ALA 2 H ALA 2 -6.348 -11.449 -13.573
11 HA ALA 2 HA ALA 2 -7.113 -9.691 -11.395
12 HB1 ALA 2 1HB ALA 2 -6.923 -12.716 -11.184
13 HB2 ALA 2 2HB ALA 2 -6.788 -11.636 -9.776
14 HB3 ALA 2 3HB ALA 2 -8.289 -11.668 -10.733
15 H PHE 3 H PHE 3 -5.142 -8.880 -12.842
16 HA PHE 3 HA PHE 3 -2.846 -9.294 -11.231
17 HB2 PHE 3 1HB PHE 3 -1.450 -10.309 -13.002
18 HB3 PHE 3 2HB PHE 3 -2.867 -11.319 -12.798
19 HD1 PHE 3 2HD PHE 3 -4.628 -11.353 -14.502
20 HD2 PHE 3 1HD PHE 3 -1.113 -9.033 -15.027
21 HE1 PHE 3 2HE PHE 3 -5.140 -11.130 -16.949
22 HE2 PHE 3 1HE PHE 3 -1.626 -8.811 -17.474
23 HZ PHE 3 HZ PHE 3 -3.633 -9.862 -18.406
24 H ALA 4 H ALA 4 -4.658 -7.137 -12.215
25 HA ALA 4 HA ALA 4 -2.881 -5.121 -12.577
26 HB1 ALA 4 1HB ALA 4 -2.015 -5.676 -14.629
27 HB2 ALA 4 2HB ALA 4 -3.464 -6.588 -15.117
28 HB3 ALA 4 3HB ALA 4 -3.465 -4.809 -15.189
29 H CYS 5 H CYS 5 -6.014 -6.614 -13.322
30 HA CYS 5 HA CYS 5 -7.515 -4.469 -14.013
31 HB2 CYS 5 1HB CYS 5 -7.997 -7.098 -12.884
32 HB3 CYS 5 2HB CYS 5 -9.125 -5.933 -12.219
33 HG CYS 5 HG CYS 5 -9.202 -7.422 -14.888
34 HA PRO 6 HA PRO 6 -7.925 -3.377 -9.415
35 HB2 PRO 6 1HB PRO 6 -6.598 -4.819 -7.511
36 HB3 PRO 6 2HB PRO 6 -8.261 -5.134 -7.966
37 HG2 PRO 6 1HG PRO 6 -5.828 -6.664 -8.659
38 HG3 PRO 6 2HG PRO 6 -7.503 -7.173 -8.733
39 HD2 PRO 6 1HD PRO 6 -5.845 -6.402 -10.943
40 HD3 PRO 6 2HD PRO 6 -7.550 -6.799 -11.001
41 H ALA 7 H ALA 7 -4.869 -4.656 -8.391
42 HA ALA 7 HA ALA 7 -2.819 -3.747 -8.433
43 HB1 ALA 7 1HB ALA 7 -3.907 -2.515 -10.620
44 HB2 ALA 7 2HB ALA 7 -3.575 -1.113 -9.575
45 HB3 ALA 7 3HB ALA 7 -2.256 -2.221 -10.024
46 H CYS 8 H CYS 8 -5.064 -0.900 -8.126
47 HA CYS 8 HA CYS 8 -4.456 -0.840 -5.292
48 HB2 CYS 8 1HB CYS 8 -3.633 1.294 -7.246
49 HB3 CYS 8 2HB CYS 8 -4.119 1.752 -5.625
50 HG CYS 8 HG CYS 8 -2.108 1.200 -4.512
51 HA PRO 9 HA PRO 9 -8.770 0.025 -6.222
52 HB2 PRO 9 1HB PRO 9 -9.840 -1.424 -4.167
53 HB3 PRO 9 2HB PRO 9 -9.557 -2.089 -5.763
54 HG2 PRO 9 1HG PRO 9 -8.026 -2.530 -3.274
55 HG3 PRO 9 2HG PRO 9 -8.031 -3.486 -4.743
56 HD2 PRO 9 1HD PRO 9 -6.002 -1.641 -3.903
57 HD3 PRO 9 2HD PRO 9 -6.065 -2.508 -5.424
58 H LYS 10 H LYS 10 -10.647 0.373 -4.215
59 HA LYS 10 HA LYS 10 -9.458 2.742 -2.974
60 HB2 LYS 10 1HB LYS 10 -11.425 3.025 -4.484
61 HB3 LYS 10 2HB LYS 10 -12.379 2.045 -3.390
62 HG2 LYS 10 1HG LYS 10 -12.631 3.752 -1.895
63 HG3 LYS 10 2HG LYS 10 -10.933 4.180 -1.964
64 HD2 LYS 10 1HD LYS 10 -11.256 5.506 -3.977
65 HD3 LYS 10 2HD LYS 10 -12.881 4.889 -4.200
66 HE2 LYS 10 1HE LYS 10 -13.636 6.012 -2.126
67 HE3 LYS 10 2HE LYS 10 -12.002 6.549 -1.789
68 HZ1 LYS 10 3HZ LYS 10 -13.862 7.520 -3.768
69 HZ2 LYS 10 1HZ LYS 10 -12.769 8.340 -2.875
70 HZ3 LYS 10 2HZ LYS 10 -12.287 7.514 -4.199
71 H ARG 11 H ARG 11 -9.758 -0.437 -2.276
72 HA ARG 11 HA ARG 11 -10.672 0.072 0.432
73 HB2 ARG 11 1HB ARG 11 -10.178 -2.656 -0.848
74 HB3 ARG 11 2HB ARG 11 -11.097 -2.319 0.606
75 HG2 ARG 11 1HG ARG 11 -12.937 -1.460 -0.578
76 HG3 ARG 11 2HG ARG 11 -11.967 -0.986 -1.959
77 HD2 ARG 11 1HD ARG 11 -12.830 -3.809 -1.191
78 HD3 ARG 11 2HD ARG 11 -13.279 -2.915 -2.630
79 HE ARG 11 HE ARG 11 -10.488 -3.024 -2.725
80 HH11 ARG 11 2HH2 ARG 11 -13.085 -5.393 -2.555
81 HH12 ARG 11 1HH2 ARG 11 -12.196 -6.616 -3.399
82 HH21 ARG 11 2HH1 ARG 11 -9.315 -4.638 -3.839
83 HH22 ARG 11 1HH1 ARG 11 -10.038 -6.184 -4.135
84 H PHE 12 H PHE 12 -7.989 -1.162 -1.599
85 HA PHE 12 HA PHE 12 -6.421 -2.120 0.542
86 HB2 PHE 12 1HB PHE 12 -6.400 -2.438 -2.121
87 HB3 PHE 12 2HB PHE 12 -5.410 -0.991 -2.115
88 HD1 PHE 12 2HD PHE 12 -3.363 -1.088 -0.414
89 HD2 PHE 12 1HD PHE 12 -5.331 -4.479 -2.037
90 HE1 PHE 12 2HE PHE 12 -1.325 -2.484 0.030
91 HE2 PHE 12 1HE PHE 12 -3.293 -5.875 -1.592
92 HZ PHE 12 HZ PHE 12 -1.314 -4.861 -0.564
93 H MET 13 H MET 13 -6.589 1.007 -1.257
94 HA MET 13 HA MET 13 -4.351 2.191 -0.336
95 HB2 MET 13 1HB MET 13 -5.967 4.335 -0.381
96 HB3 MET 13 2HB MET 13 -5.595 3.484 -1.867
97 HG2 MET 13 1HG MET 13 -7.718 2.528 -2.026
98 HG3 MET 13 2HG MET 13 -7.942 2.463 -0.289
99 HE1 MET 13 3HE MET 13 -7.692 4.284 -3.382
100 HE2 MET 13 1HE MET 13 -9.102 5.369 -3.340
101 HE3 MET 13 2HE MET 13 -7.501 5.972 -2.851
102 H ARG 14 H ARG 14 -7.177 1.249 1.505
103 HA ARG 14 HA ARG 14 -6.863 3.130 3.558
104 HB2 ARG 14 1HB ARG 14 -8.159 0.361 3.693
105 HB3 ARG 14 2HB ARG 14 -8.447 1.684 4.805
106 HG2 ARG 14 1HG ARG 14 -9.349 1.381 1.938
107 HG3 ARG 14 2HG ARG 14 -10.280 1.871 3.340
108 HD2 ARG 14 1HD ARG 14 -8.861 4.017 3.401
109 HD3 ARG 14 2HD ARG 14 -8.197 3.536 1.852
110 HE ARG 14 HE ARG 14 -11.029 3.388 1.633
111 HH11 ARG 14 2HH2 ARG 14 -8.538 5.829 2.104
112 HH12 ARG 14 1HH2 ARG 14 -9.455 7.093 1.356
113 HH21 ARG 14 2HH1 ARG 14 -12.239 5.056 0.646
114 HH22 ARG 14 1HH1 ARG 14 -11.575 6.651 0.521
115 H SER 15 H SER 15 -5.913 -0.350 3.138
116 HA SER 15 HA SER 15 -4.521 -0.296 5.635
117 HB2 SER 15 1HB SER 15 -5.321 -2.332 3.624
118 HB3 SER 15 2HB SER 15 -3.780 -2.655 4.391
119 HG SER 15 HG SER 15 -6.376 -2.401 5.603
120 H ASP 16 H ASP 16 -3.838 1.253 2.912
121 HA ASP 16 HA ASP 16 -1.066 0.363 2.818
122 HB2 ASP 16 1HB ASP 16 -3.000 1.254 0.795
123 HB3 ASP 16 2HB ASP 16 -1.535 2.213 0.722
124 H ALA 17 H ALA 17 -3.324 2.883 3.704
125 HA ALA 17 HA ALA 17 -1.344 4.994 3.624
126 HB1 ALA 17 1HB ALA 17 -4.125 4.856 3.400
127 HB2 ALA 17 2HB ALA 17 -3.861 5.544 5.020
128 HB3 ALA 17 3HB ALA 17 -3.156 6.337 3.591
129 H LEU 18 H LEU 18 -0.899 2.543 5.290
130 HA LEU 18 HA LEU 18 0.067 3.816 7.571
131 HB2 LEU 18 1HB LEU 18 -1.395 3.380 9.256
132 HB3 LEU 18 2HB LEU 18 -2.493 3.790 7.953
133 HG LEU 18 HG LEU 18 -3.564 1.947 8.712
134 HD11 LEU 18 1HD1 LEU 18 -2.389 1.515 6.361
135 HD12 LEU 18 2HD1 LEU 18 -1.639 0.184 7.275
136 HD13 LEU 18 3HD1 LEU 18 -3.412 0.295 7.157
137 HD21 LEU 18 3HD2 LEU 18 -1.541 0.018 9.388
138 HD22 LEU 18 1HD2 LEU 18 -1.191 1.567 10.191
139 HD23 LEU 18 2HD2 LEU 18 -2.771 0.781 10.424
140 H SER 19 H SER 19 0.899 2.051 5.424
141 HA SER 19 HA SER 19 1.995 -0.001 7.103
142 HB2 SER 19 1HB SER 19 0.037 -0.536 4.901
143 HB3 SER 19 2HB SER 19 1.436 -1.589 4.962
144 HG SER 19 HG SER 19 -0.080 -1.056 7.348
145 H LYS 20 H LYS 20 2.749 2.506 5.505
146 HA LYS 20 HA LYS 20 4.919 1.233 4.012
147 HB2 LYS 20 1HB LYS 20 4.645 3.141 2.322
148 HB3 LYS 20 2HB LYS 20 3.524 1.797 2.230
149 HG2 LYS 20 1HG LYS 20 2.088 3.663 2.097
150 HG3 LYS 20 2HG LYS 20 1.984 3.229 3.792
151 HD2 LYS 20 1HD LYS 20 2.300 5.646 3.629
152 HD3 LYS 20 2HD LYS 20 3.747 4.942 4.322
153 HE2 LYS 20 1HE LYS 20 5.045 5.588 2.555
154 HE3 LYS 20 2HE LYS 20 3.874 5.033 1.376
155 HZ1 LYS 20 3HZ LYS 20 4.186 7.433 1.367
156 HZ2 LYS 20 1HZ LYS 20 2.637 7.031 1.693
157 HZ3 LYS 20 2HZ LYS 20 3.620 7.535 2.896
158 H HIS 21 H HIS 21 4.456 2.508 6.763
159 HA HIS 21 HA HIS 21 6.885 3.933 6.792
160 HB2 HIS 21 1HB HIS 21 6.178 6.134 7.297
161 HB3 HIS 21 2HB HIS 21 5.353 5.666 5.823
162 HD1 HIS 21 1HD HIS 21 2.747 5.053 6.057
163 HD2 HIS 21 2HD HIS 21 4.524 6.811 9.426
164 HE1 HIS 21 1HE HIS 21 0.831 5.852 7.541
165 HE2 HIS 21 2HE HIS 21 1.984 6.874 9.620
166 H ILE 22 H ILE 22 3.709 3.274 8.372
167 HA ILE 22 HA ILE 22 4.797 3.486 10.993
168 HB ILE 22 HB ILE 22 2.634 2.675 11.710
169 HG12 ILE 22 1HG1 ILE 22 0.883 2.200 9.923
170 HG13 ILE 22 2HG1 ILE 22 2.204 2.037 8.784
171 HG21 ILE 22 1HG2 ILE 22 1.745 4.467 9.546
172 HG22 ILE 22 2HG2 ILE 22 1.632 4.643 11.313
173 HG23 ILE 22 3HG2 ILE 22 3.148 5.048 10.474
174 HD11 ILE 22 3HD1 ILE 22 2.765 -0.022 9.568
175 HD12 ILE 22 1HD1 ILE 22 2.698 0.522 11.262
176 HD13 ILE 22 2HD1 ILE 22 1.209 0.012 10.431
177 H LYS 23 H LYS 23 4.847 1.088 8.482
178 HA LYS 23 HA LYS 23 5.132 -1.126 10.298
179 HB2 LYS 23 1HB LYS 23 4.588 -0.738 7.498
180 HB3 LYS 23 2HB LYS 23 5.955 -1.820 7.671
181 HG2 LYS 23 1HG LYS 23 3.222 -2.129 8.996
182 HG3 LYS 23 2HG LYS 23 3.869 -3.120 7.703
183 HD2 LYS 23 1HD LYS 23 5.035 -4.425 9.158
184 HD3 LYS 23 2HD LYS 23 5.732 -3.033 9.963
185 HE2 LYS 23 1HE LYS 23 4.148 -3.033 11.634
186 HE3 LYS 23 2HE LYS 23 2.841 -3.441 10.541
187 HZ1 LYS 23 3HZ LYS 23 3.622 -5.703 10.523
188 HZ2 LYS 23 1HZ LYS 23 4.871 -5.333 11.508
189 HZ3 LYS 23 2HZ LYS 23 3.338 -5.228 12.060
190 H THR 24 H THR 24 7.031 1.472 9.768
191 HA THR 24 HA THR 24 9.373 0.126 10.652
192 HB THR 24 HB THR 24 9.562 -0.485 8.276
193 HG1 THR 24 1HG THR 24 11.403 0.510 9.586
194 HG21 THR 24 3HG2 THR 24 8.349 2.083 7.829
195 HG22 THR 24 1HG2 THR 24 9.994 2.157 7.153
196 HG23 THR 24 2HG2 THR 24 8.861 0.900 6.602
197 H ALA 25 H ALA 25 10.628 2.608 8.930
198 HA ALA 25 HA ALA 25 9.702 4.948 9.909
199 HB1 ALA 25 1HB ALA 25 9.809 4.428 12.177
200 HB2 ALA 25 2HB ALA 25 11.257 3.410 11.983
201 HB3 ALA 25 3HB ALA 25 11.399 5.183 11.915
202 H PHE 26 H PHE 26 10.718 4.667 7.596
203 HA PHE 26 HA PHE 26 12.975 6.263 7.496
204 HB2 PHE 26 1HB PHE 26 14.676 4.589 6.821
205 HB3 PHE 26 2HB PHE 26 14.031 4.114 8.379
206 HD1 PHE 26 1HD PHE 26 11.381 3.360 6.446
207 HD2 PHE 26 2HD PHE 26 15.398 2.094 6.965
208 HE1 PHE 26 1HE PHE 26 10.791 1.105 5.514
209 HE2 PHE 26 2HE PHE 26 14.808 -0.161 6.033
210 HZ PHE 26 HZ PHE 26 12.512 -0.628 5.319
211 H ILE 27 H ILE 27 14.152 5.135 5.061
212 HA ILE 27 HA ILE 27 11.832 5.039 3.282
213 HB ILE 27 HB ILE 27 12.734 6.686 1.826
214 HG12 ILE 27 1HG1 ILE 27 14.854 7.939 3.094
215 HG13 ILE 27 2HG1 ILE 27 15.198 6.240 3.353
216 HG21 ILE 27 1HG2 ILE 27 11.398 7.386 3.858
217 HG22 ILE 27 2HG2 ILE 27 12.942 7.866 4.602
218 HG23 ILE 27 3HG2 ILE 27 12.395 8.651 3.101
219 HD11 ILE 27 3HD1 ILE 27 14.574 6.006 0.781
220 HD12 ILE 27 1HD1 ILE 27 14.936 7.748 0.750
221 HD13 ILE 27 2HD1 ILE 27 16.186 6.588 1.260
222 H VAL 28 H VAL 28 12.178 2.792 3.016
223 HA VAL 28 HA VAL 28 14.176 2.188 1.075
224 HB VAL 28 HB VAL 28 14.487 1.300 3.926
225 HG11 VAL 28 1HG1 VAL 28 14.896 -0.339 1.497
226 HG12 VAL 28 2HG1 VAL 28 16.277 -0.290 2.620
227 HG13 VAL 28 3HG1 VAL 28 14.681 -0.829 3.194
228 HG21 VAL 28 3HG2 VAL 28 15.971 3.020 3.540
229 HG22 VAL 28 1HG2 VAL 28 16.970 1.619 3.083
230 HG23 VAL 28 2HG2 VAL 28 16.185 2.601 1.823
231 H VAL 29 H VAL 29 11.965 0.813 3.605
232 HA VAL 29 HA VAL 29 10.732 -0.742 1.444
233 HB VAL 29 HB VAL 29 11.216 -1.730 4.257
234 HG11 VAL 29 1HG1 VAL 29 9.877 -2.829 1.821
235 HG12 VAL 29 2HG1 VAL 29 10.795 -3.955 2.850
236 HG13 VAL 29 3HG1 VAL 29 9.455 -3.008 3.541
237 HG21 VAL 29 3HG2 VAL 29 13.059 -1.563 2.049
238 HG22 VAL 29 1HG2 VAL 29 13.318 -2.207 3.688
239 HG23 VAL 29 2HG2 VAL 29 12.698 -3.270 2.401
240 H ALA 30 H ALA 30 10.388 1.838 3.386
241 HA ALA 30 HA ALA 30 7.868 1.214 4.607
242 HB1 ALA 30 1HB ALA 30 9.907 3.138 4.911
243 HB2 ALA 30 2HB ALA 30 8.481 4.047 4.356
244 HB3 ALA 30 3HB ALA 30 8.380 3.038 5.819
245 H LEU 31 H LEU 31 8.631 3.991 2.421
246 HA LEU 31 HA LEU 31 6.084 4.274 1.462
247 HB2 LEU 31 1HB LEU 31 7.273 5.372 -0.517
248 HB3 LEU 31 2HB LEU 31 7.496 6.044 1.087
249 HG LEU 31 HG LEU 31 9.581 4.155 0.709
250 HD11 LEU 31 1HD1 LEU 31 9.320 6.030 -1.658
251 HD12 LEU 31 2HD1 LEU 31 10.698 4.963 -1.297
252 HD13 LEU 31 3HD1 LEU 31 9.112 4.263 -1.699
253 HD21 LEU 31 3HD2 LEU 31 11.022 6.081 0.987
254 HD22 LEU 31 1HD2 LEU 31 9.677 7.182 0.607
255 HD23 LEU 31 2HD2 LEU 31 9.631 6.201 2.091
256 H GLY 32 H GLY 32 8.829 2.453 -0.072
257 HA2 GLY 32 1HA GLY 32 7.289 0.282 -0.878
258 HA3 GLY 32 2HA GLY 32 7.258 1.437 -2.195
Start of MODEL 2
1 H1 TYR 1 H TYR 1 -6.538 -7.859 -18.426
2 HA TYR 1 HA TYR 1 -3.794 -8.285 -17.469
3 HB2 TYR 1 1HB TYR 1 -4.554 -6.476 -19.234
4 HB3 TYR 1 2HB TYR 1 -5.404 -5.702 -17.912
5 HD1 TYR 1 1HD TYR 1 -2.055 -7.344 -17.765
6 HD2 TYR 1 2HD TYR 1 -4.234 -3.663 -17.708
7 HE1 TYR 1 1HE TYR 1 0.064 -6.092 -17.130
8 HE2 TYR 1 2HE TYR 1 -2.107 -2.422 -17.073
9 HH TYR 1 HH TYR 1 0.862 -4.183 -16.361
10 H ALA 2 H ALA 2 -3.754 -8.816 -15.334
11 HA ALA 2 HA ALA 2 -5.343 -7.124 -13.552
12 HB1 ALA 2 1HB ALA 2 -5.675 -9.308 -12.185
13 HB2 ALA 2 2HB ALA 2 -6.699 -9.051 -13.618
14 HB3 ALA 2 3HB ALA 2 -5.299 -10.146 -13.709
15 H PHE 3 H PHE 3 -3.128 -6.071 -13.553
16 HA PHE 3 HA PHE 3 -1.281 -7.606 -11.868
17 HB2 PHE 3 1HB PHE 3 0.444 -6.376 -12.991
18 HB3 PHE 3 2HB PHE 3 -0.727 -6.621 -14.271
19 HD1 PHE 3 1HD PHE 3 -2.378 -4.731 -14.753
20 HD2 PHE 3 2HD PHE 3 1.092 -4.211 -12.367
21 HE1 PHE 3 1HE PHE 3 -2.500 -2.250 -15.116
22 HE2 PHE 3 2HE PHE 3 0.970 -1.730 -12.729
23 HZ PHE 3 HZ PHE 3 -0.824 -0.780 -14.100
24 H ALA 4 H ALA 4 -3.675 -5.245 -11.734
25 HA ALA 4 HA ALA 4 -3.299 -4.559 -9.139
26 HB1 ALA 4 1HB ALA 4 -1.508 -3.048 -10.954
27 HB2 ALA 4 2HB ALA 4 -2.460 -2.043 -9.835
28 HB3 ALA 4 3HB ALA 4 -1.395 -3.319 -9.198
29 H CYS 5 H CYS 5 -4.259 -3.661 -12.436
30 HA CYS 5 HA CYS 5 -5.983 -1.622 -11.992
31 HB2 CYS 5 1HB CYS 5 -5.593 -3.638 -14.044
32 HB3 CYS 5 2HB CYS 5 -7.299 -3.287 -13.848
33 HG CYS 5 HG CYS 5 -4.995 -1.686 -15.233
34 HA PRO 6 HA PRO 6 -9.285 -4.791 -10.743
35 HB2 PRO 6 1HB PRO 6 -8.684 -7.453 -10.599
36 HB3 PRO 6 2HB PRO 6 -9.403 -6.709 -12.013
37 HG2 PRO 6 1HG PRO 6 -6.615 -7.604 -11.605
38 HG3 PRO 6 2HG PRO 6 -7.449 -7.261 -13.107
39 HD2 PRO 6 1HD PRO 6 -5.531 -5.585 -11.789
40 HD3 PRO 6 2HD PRO 6 -6.451 -5.194 -13.228
41 H ALA 7 H ALA 7 -6.734 -6.894 -9.535
42 HA ALA 7 HA ALA 7 -7.585 -6.984 -6.966
43 HB1 ALA 7 1HB ALA 7 -4.818 -6.987 -6.731
44 HB2 ALA 7 2HB ALA 7 -5.827 -8.392 -7.149
45 HB3 ALA 7 3HB ALA 7 -5.076 -7.421 -8.438
46 H CYS 8 H CYS 8 -6.407 -5.976 -4.978
47 HA CYS 8 HA CYS 8 -5.913 -4.218 -3.758
48 HB2 CYS 8 1HB CYS 8 -4.716 -3.433 -6.350
49 HB3 CYS 8 2HB CYS 8 -5.063 -2.101 -5.266
50 HG CYS 8 HG CYS 8 -2.548 -2.935 -5.035
51 HA PRO 9 HA PRO 9 -9.918 -2.420 -4.650
52 HB2 PRO 9 1HB PRO 9 -10.878 -2.503 -2.093
53 HB3 PRO 9 2HB PRO 9 -11.100 -3.807 -3.242
54 HG2 PRO 9 1HG PRO 9 -9.257 -3.664 -0.936
55 HG3 PRO 9 2HG PRO 9 -9.799 -5.075 -1.822
56 HD2 PRO 9 1HD PRO 9 -7.245 -3.787 -2.042
57 HD3 PRO 9 2HD PRO 9 -7.830 -5.126 -3.009
58 H LYS 10 H LYS 10 -11.200 -0.726 -2.868
59 HA LYS 10 HA LYS 10 -9.231 1.438 -2.904
60 HB2 LYS 10 1HB LYS 10 -11.857 1.271 -3.860
61 HB3 LYS 10 2HB LYS 10 -11.991 2.216 -2.391
62 HG2 LYS 10 1HG LYS 10 -9.698 3.284 -3.557
63 HG3 LYS 10 2HG LYS 10 -10.674 2.901 -4.961
64 HD2 LYS 10 1HD LYS 10 -12.299 4.141 -2.852
65 HD3 LYS 10 2HD LYS 10 -10.940 5.160 -3.281
66 HE2 LYS 10 1HE LYS 10 -11.590 4.862 -5.734
67 HE3 LYS 10 2HE LYS 10 -13.033 4.025 -5.195
68 HZ1 LYS 10 3HZ LYS 10 -12.755 6.432 -3.794
69 HZ2 LYS 10 1HZ LYS 10 -12.668 6.733 -5.397
70 HZ3 LYS 10 2HZ LYS 10 -13.967 5.958 -4.781
71 H ARG 11 H ARG 11 -10.184 -0.921 -0.846
72 HA ARG 11 HA ARG 11 -10.368 0.892 1.414
73 HB2 ARG 11 1HB ARG 11 -10.841 -2.124 1.445
74 HB3 ARG 11 2HB ARG 11 -11.331 -0.963 2.662
75 HG2 ARG 11 1HG ARG 11 -13.102 -0.126 1.365
76 HG3 ARG 11 2HG ARG 11 -12.343 -0.565 -0.153
77 HD2 ARG 11 1HD ARG 11 -13.716 -2.425 1.835
78 HD3 ARG 11 2HD ARG 11 -14.192 -2.096 0.181
79 HE ARG 11 HE ARG 11 -11.601 -3.094 -0.054
80 HH11 ARG 11 2HH2 ARG 11 -14.590 -4.262 1.389
81 HH12 ARG 11 1HH2 ARG 11 -14.209 -5.933 1.136
82 HH21 ARG 11 2HH1 ARG 11 -11.098 -5.298 -0.388
83 HH22 ARG 11 1HH1 ARG 11 -12.209 -6.526 0.119
84 H PHE 12 H PHE 12 -8.544 -1.823 -0.050
85 HA PHE 12 HA PHE 12 -6.867 -2.280 2.172
86 HB2 PHE 12 1HB PHE 12 -7.461 -3.630 -0.066
87 HB3 PHE 12 2HB PHE 12 -6.168 -2.686 -0.779
88 HD1 PHE 12 1HD PHE 12 -6.614 -4.523 2.452
89 HD2 PHE 12 2HD PHE 12 -4.221 -3.880 -0.993
90 HE1 PHE 12 1HE PHE 12 -4.932 -6.176 3.312
91 HE2 PHE 12 2HE PHE 12 -2.539 -5.534 -0.133
92 HZ PHE 12 HZ PHE 12 -2.915 -6.662 2.009
93 H MET 13 H MET 13 -6.603 -0.258 -0.810
94 HA MET 13 HA MET 13 -4.003 0.434 -0.667
95 HB2 MET 13 1HB MET 13 -5.006 2.763 -1.549
96 HB3 MET 13 2HB MET 13 -5.160 1.315 -2.524
97 HG2 MET 13 1HG MET 13 -7.443 1.090 -2.095
98 HG3 MET 13 2HG MET 13 -7.329 1.807 -0.500
99 HE1 MET 13 3HE MET 13 -7.202 4.259 0.029
100 HE2 MET 13 1HE MET 13 -5.746 4.524 -0.959
101 HE3 MET 13 2HE MET 13 -7.160 5.589 -1.154
102 H ARG 14 H ARG 14 -6.555 1.250 1.588
103 HA ARG 14 HA ARG 14 -5.191 3.533 2.600
104 HB2 ARG 14 1HB ARG 14 -7.466 1.989 3.931
105 HB3 ARG 14 2HB ARG 14 -7.027 3.664 4.202
106 HG2 ARG 14 1HG ARG 14 -7.734 4.300 1.957
107 HG3 ARG 14 2HG ARG 14 -7.927 2.624 1.479
108 HD2 ARG 14 1HD ARG 14 -9.844 2.324 2.921
109 HD3 ARG 14 2HD ARG 14 -9.526 3.816 3.784
110 HE ARG 14 HE ARG 14 -9.916 4.307 0.948
111 HH11 ARG 14 2HH2 ARG 14 -11.633 3.683 3.955
112 HH12 ARG 14 1HH2 ARG 14 -13.088 4.466 3.436
113 HH21 ARG 14 2HH1 ARG 14 -11.835 5.341 0.262
114 HH22 ARG 14 1HH1 ARG 14 -13.204 5.415 1.321
115 H SER 15 H SER 15 -5.923 0.148 3.696
116 HA SER 15 HA SER 15 -4.629 0.345 6.123
117 HB2 SER 15 1HB SER 15 -5.965 -1.653 4.603
118 HB3 SER 15 2HB SER 15 -4.389 -2.326 4.974
119 HG SER 15 HG SER 15 -5.189 -2.751 6.908
120 H ASP 16 H ASP 16 -3.374 0.411 2.921
121 HA ASP 16 HA ASP 16 -0.798 -0.569 3.846
122 HB2 ASP 16 1HB ASP 16 -2.243 -0.567 1.268
123 HB3 ASP 16 2HB ASP 16 -0.593 -0.001 1.103
124 H ALA 17 H ALA 17 -2.689 2.238 2.960
125 HA ALA 17 HA ALA 17 -0.377 3.860 2.314
126 HB1 ALA 17 1HB ALA 17 -2.365 4.228 1.006
127 HB2 ALA 17 2HB ALA 17 -3.369 4.379 2.468
128 HB3 ALA 17 3HB ALA 17 -2.171 5.636 2.077
129 H LEU 18 H LEU 18 -0.808 2.506 5.026
130 HA LEU 18 HA LEU 18 -0.119 4.825 6.565
131 HB2 LEU 18 1HB LEU 18 -1.885 4.998 7.959
132 HB3 LEU 18 2HB LEU 18 -2.720 4.540 6.488
133 HG LEU 18 HG LEU 18 -3.756 3.151 7.965
134 HD11 LEU 18 1HD1 LEU 18 -3.246 1.028 7.359
135 HD12 LEU 18 2HD1 LEU 18 -2.178 1.879 6.217
136 HD13 LEU 18 3HD1 LEU 18 -1.515 1.212 7.729
137 HD21 LEU 18 3HD2 LEU 18 -1.622 3.842 9.666
138 HD22 LEU 18 1HD2 LEU 18 -3.132 3.000 10.088
139 HD23 LEU 18 2HD2 LEU 18 -1.684 2.064 9.645
140 H SER 19 H SER 19 0.921 2.157 5.511
141 HA SER 19 HA SER 19 1.792 1.224 8.123
142 HB2 SER 19 1HB SER 19 0.396 -0.311 6.010
143 HB3 SER 19 2HB SER 19 1.878 -1.072 6.553
144 HG SER 19 HG SER 19 -0.543 -0.624 7.946
145 H LYS 20 H LYS 20 2.364 0.452 4.606
146 HA LYS 20 HA LYS 20 5.171 0.270 5.038
147 HB2 LYS 20 1HB LYS 20 3.804 0.458 2.354
148 HB3 LYS 20 2HB LYS 20 5.297 -0.360 2.768
149 HG2 LYS 20 1HG LYS 20 2.462 -1.170 3.529
150 HG3 LYS 20 2HG LYS 20 3.608 -2.073 2.558
151 HD2 LYS 20 1HD LYS 20 5.062 -1.782 4.872
152 HD3 LYS 20 2HD LYS 20 3.438 -1.800 5.530
153 HE2 LYS 20 1HE LYS 20 3.617 -4.075 5.430
154 HE3 LYS 20 2HE LYS 20 3.299 -3.888 3.716
155 HZ1 LYS 20 3HZ LYS 20 5.506 -4.974 4.748
156 HZ2 LYS 20 1HZ LYS 20 5.395 -4.376 3.233
157 HZ3 LYS 20 2HZ LYS 20 6.028 -3.461 4.427
158 H HIS 21 H HIS 21 4.717 2.637 6.140
159 HA HIS 21 HA HIS 21 6.262 4.369 4.590
160 HB2 HIS 21 1HB HIS 21 4.839 5.685 3.492
161 HB3 HIS 21 2HB HIS 21 3.649 4.424 3.741
162 HD1 HIS 21 1HD HIS 21 1.514 5.601 4.294
163 HD2 HIS 21 2HD HIS 21 4.793 7.234 6.337
164 HE1 HIS 21 1HE HIS 21 0.568 7.386 5.853
165 HE2 HIS 21 2HE HIS 21 2.623 8.315 7.121
166 H ILE 22 H ILE 22 3.846 3.897 7.202
167 HA ILE 22 HA ILE 22 5.340 5.845 8.806
168 HB ILE 22 HB ILE 22 3.288 6.648 9.078
169 HG12 ILE 22 1HG1 ILE 22 3.866 5.545 11.267
170 HG13 ILE 22 2HG1 ILE 22 2.166 5.891 11.018
171 HG21 ILE 22 1HG2 ILE 22 2.285 5.435 7.283
172 HG22 ILE 22 2HG2 ILE 22 2.212 3.943 8.251
173 HG23 ILE 22 3HG2 ILE 22 1.190 5.334 8.683
174 HD11 ILE 22 3HD1 ILE 22 2.883 3.238 9.976
175 HD12 ILE 22 1HD1 ILE 22 3.262 3.404 11.708
176 HD13 ILE 22 2HD1 ILE 22 1.604 3.693 11.127
177 H LYS 23 H LYS 23 5.064 2.540 8.137
178 HA LYS 23 HA LYS 23 5.385 1.647 10.856
179 HB2 LYS 23 1HB LYS 23 5.496 0.187 8.200
180 HB3 LYS 23 2HB LYS 23 5.630 -0.587 9.766
181 HG2 LYS 23 1HG LYS 23 3.292 1.251 9.444
182 HG3 LYS 23 2HG LYS 23 3.252 -0.194 8.453
183 HD2 LYS 23 1HD LYS 23 2.348 -1.163 10.324
184 HD3 LYS 23 2HD LYS 23 4.018 -1.298 10.839
185 HE2 LYS 23 1HE LYS 23 3.803 0.344 12.439
186 HE3 LYS 23 2HE LYS 23 2.779 1.344 11.428
187 HZ1 LYS 23 3HZ LYS 23 1.173 0.622 12.749
188 HZ2 LYS 23 1HZ LYS 23 1.232 -0.786 11.923
189 HZ3 LYS 23 2HZ LYS 23 2.038 -0.633 13.335
190 H THR 24 H THR 24 7.325 3.468 9.022
191 HA THR 24 HA THR 24 9.690 2.498 10.326
192 HB THR 24 HB THR 24 9.660 0.994 8.369
193 HG1 THR 24 1HG THR 24 11.735 1.748 7.624
194 HG21 THR 24 3HG2 THR 24 8.540 3.272 7.019
195 HG22 THR 24 1HG2 THR 24 10.136 2.967 6.292
196 HG23 THR 24 2HG2 THR 24 8.911 1.676 6.322
197 H ALA 25 H ALA 25 10.913 4.024 7.725
198 HA ALA 25 HA ALA 25 10.119 6.604 7.712
199 HB1 ALA 25 1HB ALA 25 12.186 7.241 9.475
200 HB2 ALA 25 2HB ALA 25 10.442 7.365 9.811
201 HB3 ALA 25 3HB ALA 25 11.338 5.902 10.285
202 H PHE 26 H PHE 26 10.995 5.425 5.661
203 HA PHE 26 HA PHE 26 13.321 6.707 4.885
204 HB2 PHE 26 1HB PHE 26 14.889 4.783 4.833
205 HB3 PHE 26 2HB PHE 26 14.318 4.983 6.478
206 HD1 PHE 26 1HD PHE 26 11.518 3.744 5.079
207 HD2 PHE 26 2HD PHE 26 15.487 2.485 5.898
208 HE1 PHE 26 1HE PHE 26 10.755 1.353 5.104
209 HE2 PHE 26 2HE PHE 26 14.724 0.094 5.923
210 HZ PHE 26 HZ PHE 26 12.367 -0.444 5.526
211 H ILE 27 H ILE 27 14.296 4.671 3.019
212 HA ILE 27 HA ILE 27 11.864 4.174 1.456
213 HB ILE 27 HB ILE 27 12.891 4.957 -0.528
214 HG12 ILE 27 1HG1 ILE 27 15.272 6.203 0.061
215 HG13 ILE 27 2HG1 ILE 27 15.376 4.754 1.041
216 HG21 ILE 27 1HG2 ILE 27 11.942 6.845 0.254
217 HG22 ILE 27 2HG2 ILE 27 12.763 6.741 1.829
218 HG23 ILE 27 3HG2 ILE 27 13.632 7.380 0.413
219 HD11 ILE 27 3HD1 ILE 27 15.225 5.023 -1.948
220 HD12 ILE 27 1HD1 ILE 27 16.198 3.911 -0.956
221 HD13 ILE 27 2HD1 ILE 27 14.465 3.593 -1.210
222 H VAL 28 H VAL 28 11.811 1.976 2.016
223 HA VAL 28 HA VAL 28 13.552 0.337 0.502
224 HB VAL 28 HB VAL 28 14.073 0.731 3.411
225 HG11 VAL 28 1HG1 VAL 28 13.464 -1.521 3.602
226 HG12 VAL 28 2HG1 VAL 28 14.106 -1.933 1.994
227 HG13 VAL 28 3HG1 VAL 28 15.223 -1.589 3.336
228 HG21 VAL 28 3HG2 VAL 28 16.378 -0.161 2.235
229 HG22 VAL 28 1HG2 VAL 28 15.573 0.652 0.871
230 HG23 VAL 28 2HG2 VAL 28 15.900 1.548 2.374
231 H VAL 29 H VAL 29 11.251 0.656 3.261
232 HA VAL 29 HA VAL 29 9.711 -1.508 2.037
233 HB VAL 29 HB VAL 29 10.513 -1.257 4.939
234 HG11 VAL 29 1HG1 VAL 29 8.365 -1.947 5.284
235 HG12 VAL 29 2HG1 VAL 29 8.209 -2.652 3.657
236 HG13 VAL 29 3HG1 VAL 29 9.095 -3.530 4.927
237 HG21 VAL 29 3HG2 VAL 29 11.635 -2.675 2.760
238 HG22 VAL 29 1HG2 VAL 29 12.052 -2.805 4.486
239 HG23 VAL 29 2HG2 VAL 29 10.818 -3.879 3.785
240 H ALA 30 H ALA 30 9.841 1.652 2.502
241 HA ALA 30 HA ALA 30 7.177 1.912 3.685
242 HB1 ALA 30 1HB ALA 30 7.923 4.432 3.465
243 HB2 ALA 30 2HB ALA 30 8.597 3.415 4.761
244 HB3 ALA 30 3HB ALA 30 9.549 3.729 3.291
245 H LEU 31 H LEU 31 6.376 0.798 1.629
246 HA LEU 31 HA LEU 31 6.651 1.859 -0.879
247 HB2 LEU 31 1HB LEU 31 4.761 0.122 0.534
248 HB3 LEU 31 2HB LEU 31 4.049 0.974 -0.821
249 HG LEU 31 HG LEU 31 4.880 -1.257 -1.433
250 HD11 LEU 31 1HD1 LEU 31 6.637 -0.219 -3.233
251 HD12 LEU 31 2HD1 LEU 31 4.865 -0.146 -3.384
252 HD13 LEU 31 3HD1 LEU 31 5.760 1.244 -2.724
253 HD21 LEU 31 3HD2 LEU 31 7.003 -2.019 -1.138
254 HD22 LEU 31 1HD2 LEU 31 7.727 -0.396 -1.249
255 HD23 LEU 31 2HD2 LEU 31 6.913 -0.906 0.249
256 H GLY 32 H GLY 32 4.992 3.108 -2.184
257 HA2 GLY 32 1HA GLY 32 3.126 4.661 -2.027
258 HA3 GLY 32 2HA GLY 32 3.810 5.258 -0.528
Start of MODEL 3
1 H1 TYR 1 H TYR 1 -4.851 0.672 -18.272
2 HA TYR 1 HA TYR 1 -6.940 -0.358 -16.549
3 HB2 TYR 1 1HB TYR 1 -6.079 -1.462 -18.688
4 HB3 TYR 1 2HB TYR 1 -4.483 -1.564 -17.971
5 HD1 TYR 1 2HD TYR 1 -7.803 -2.310 -16.410
6 HD2 TYR 1 1HD TYR 1 -4.063 -3.862 -17.792
7 HE1 TYR 1 2HE TYR 1 -8.379 -4.587 -15.436
8 HE2 TYR 1 1HE TYR 1 -4.652 -6.133 -16.813
9 HH TYR 1 HH TYR 1 -6.037 -7.243 -15.554
10 H ALA 2 H ALA 2 -6.719 -0.373 -14.372
11 HA ALA 2 HA ALA 2 -4.080 -1.017 -13.301
12 HB1 ALA 2 1HB ALA 2 -4.179 0.807 -11.710
13 HB2 ALA 2 2HB ALA 2 -4.374 1.484 -13.345
14 HB3 ALA 2 3HB ALA 2 -5.793 1.285 -12.288
15 H PHE 3 H PHE 3 -6.472 -2.628 -13.756
16 HA PHE 3 HA PHE 3 -8.206 -2.801 -11.667
17 HB2 PHE 3 1HB PHE 3 -8.583 -4.300 -13.462
18 HB3 PHE 3 2HB PHE 3 -6.876 -4.644 -13.656
19 HD1 PHE 3 2HD PHE 3 -9.674 -5.256 -11.265
20 HD2 PHE 3 1HD PHE 3 -6.062 -6.697 -12.963
21 HE1 PHE 3 2HE PHE 3 -9.975 -7.435 -10.056
22 HE2 PHE 3 1HE PHE 3 -6.363 -8.876 -11.755
23 HZ PHE 3 HZ PHE 3 -8.316 -9.219 -10.316
24 H ALA 4 H ALA 4 -5.240 -4.888 -11.989
25 HA ALA 4 HA ALA 4 -4.611 -4.462 -9.219
26 HB1 ALA 4 1HB ALA 4 -4.897 -7.347 -9.765
27 HB2 ALA 4 2HB ALA 4 -5.370 -6.402 -8.332
28 HB3 ALA 4 3HB ALA 4 -6.442 -6.465 -9.752
29 H CYS 5 H CYS 5 -3.514 -4.102 -12.016
30 HA CYS 5 HA CYS 5 -1.602 -6.062 -12.516
31 HB2 CYS 5 1HB CYS 5 -2.276 -3.407 -13.533
32 HB3 CYS 5 2HB CYS 5 -0.544 -3.676 -13.514
33 HG CYS 5 HG CYS 5 -2.991 -5.257 -15.014
34 HA PRO 6 HA PRO 6 1.203 -3.241 -9.909
35 HB2 PRO 6 1HB PRO 6 0.126 -1.158 -8.506
36 HB3 PRO 6 2HB PRO 6 0.853 -0.973 -10.089
37 HG2 PRO 6 1HG PRO 6 -2.010 -0.973 -9.354
38 HG3 PRO 6 2HG PRO 6 -1.253 -0.378 -10.818
39 HD2 PRO 6 1HD PRO 6 -2.706 -2.832 -10.512
40 HD3 PRO 6 2HD PRO 6 -1.851 -2.292 -11.943
41 H ALA 7 H ALA 7 -1.262 -2.253 -7.676
42 HA ALA 7 HA ALA 7 -1.484 -4.674 -6.310
43 HB1 ALA 7 1HB ALA 7 0.632 -2.767 -5.234
44 HB2 ALA 7 2HB ALA 7 -0.043 -4.149 -4.339
45 HB3 ALA 7 3HB ALA 7 0.896 -4.425 -5.825
46 H CYS 8 H CYS 8 -2.252 -4.111 -3.882
47 HA CYS 8 HA CYS 8 -3.629 -3.014 -2.559
48 HB2 CYS 8 1HB CYS 8 -3.322 -0.571 -4.333
49 HB3 CYS 8 2HB CYS 8 -3.970 -0.610 -2.706
50 HG CYS 8 HG CYS 8 -0.930 -1.272 -3.815
51 HA PRO 9 HA PRO 9 -6.935 -3.990 -5.439
52 HB2 PRO 9 1HB PRO 9 -8.268 -5.739 -3.816
53 HB3 PRO 9 2HB PRO 9 -7.029 -6.239 -4.951
54 HG2 PRO 9 1HG PRO 9 -6.858 -5.994 -2.010
55 HG3 PRO 9 2HG PRO 9 -5.807 -6.875 -3.101
56 HD2 PRO 9 1HD PRO 9 -5.257 -4.352 -1.852
57 HD3 PRO 9 2HD PRO 9 -4.258 -5.177 -3.032
58 H LYS 10 H LYS 10 -9.531 -4.395 -4.654
59 HA LYS 10 HA LYS 10 -10.308 -1.771 -4.172
60 HB2 LYS 10 1HB LYS 10 -12.545 -2.664 -4.005
61 HB3 LYS 10 2HB LYS 10 -11.686 -3.479 -5.296
62 HG2 LYS 10 1HG LYS 10 -11.217 -5.409 -3.806
63 HG3 LYS 10 2HG LYS 10 -11.986 -4.586 -2.464
64 HD2 LYS 10 1HD LYS 10 -14.126 -4.489 -3.876
65 HD3 LYS 10 2HD LYS 10 -13.326 -5.529 -5.038
66 HE2 LYS 10 1HE LYS 10 -12.934 -6.732 -2.464
67 HE3 LYS 10 2HE LYS 10 -14.619 -6.257 -2.539
68 HZ1 LYS 10 3HZ LYS 10 -14.218 -8.446 -3.467
69 HZ2 LYS 10 1HZ LYS 10 -14.829 -7.436 -4.596
70 HZ3 LYS 10 2HZ LYS 10 -13.241 -7.816 -4.614
71 H ARG 11 H ARG 11 -9.852 -4.580 -1.961
72 HA ARG 11 HA ARG 11 -10.961 -3.566 0.270
73 HB2 ARG 11 1HB ARG 11 -9.905 -5.847 0.003
74 HB3 ARG 11 2HB ARG 11 -8.320 -5.107 0.120
75 HG2 ARG 11 1HG ARG 11 -8.977 -4.195 2.399
76 HG3 ARG 11 2HG ARG 11 -10.482 -5.085 2.279
77 HD2 ARG 11 1HD ARG 11 -8.668 -6.295 3.579
78 HD3 ARG 11 2HD ARG 11 -9.325 -7.222 2.245
79 HE ARG 11 HE ARG 11 -7.004 -5.641 1.450
80 HH11 ARG 11 2HH2 ARG 11 -8.016 -8.657 2.955
81 HH12 ARG 11 1HH2 ARG 11 -6.551 -9.493 2.563
82 HH21 ARG 11 2HH1 ARG 11 -5.070 -6.744 0.933
83 HH22 ARG 11 1HH1 ARG 11 -4.864 -8.397 1.405
84 H PHE 12 H PHE 12 -7.852 -2.722 -1.275
85 HA PHE 12 HA PHE 12 -7.351 -0.827 0.909
86 HB2 PHE 12 1HB PHE 12 -5.716 -2.544 -0.965
87 HB3 PHE 12 2HB PHE 12 -5.045 -0.961 -0.623
88 HD1 PHE 12 2HD PHE 12 -5.354 -0.411 2.090
89 HD2 PHE 12 1HD PHE 12 -4.788 -4.217 0.301
90 HE1 PHE 12 2HE PHE 12 -4.400 -1.281 4.243
91 HE2 PHE 12 1HE PHE 12 -3.834 -5.087 2.454
92 HZ PHE 12 HZ PHE 12 -3.651 -3.608 4.399
93 H MET 13 H MET 13 -6.060 1.193 0.078
94 HA MET 13 HA MET 13 -6.100 2.053 -2.469
95 HB2 MET 13 1HB MET 13 -8.220 3.608 -2.322
96 HB3 MET 13 2HB MET 13 -8.473 1.921 -2.723
97 HG2 MET 13 1HG MET 13 -10.057 2.184 -1.024
98 HG3 MET 13 2HG MET 13 -8.690 1.616 -0.086
99 HE1 MET 13 3HE MET 13 -9.022 2.418 2.054
100 HE2 MET 13 1HE MET 13 -9.390 4.074 2.590
101 HE3 MET 13 2HE MET 13 -10.646 3.097 1.793
102 H ARG 14 H ARG 14 -6.656 2.764 0.968
103 HA ARG 14 HA ARG 14 -4.939 5.070 0.621
104 HB2 ARG 14 1HB ARG 14 -7.601 4.997 2.112
105 HB3 ARG 14 2HB ARG 14 -6.393 6.222 2.447
106 HG2 ARG 14 1HG ARG 14 -7.284 5.725 -0.410
107 HG3 ARG 14 2HG ARG 14 -8.276 6.702 0.654
108 HD2 ARG 14 1HD ARG 14 -5.838 7.847 1.140
109 HD3 ARG 14 2HD ARG 14 -5.575 7.298 -0.503
110 HE ARG 14 HE ARG 14 -8.068 8.514 -0.625
111 HH11 ARG 14 2HH2 ARG 14 -4.885 9.542 0.468
112 HH12 ARG 14 1HH2 ARG 14 -5.150 11.209 0.083
113 HH21 ARG 14 2HH1 ARG 14 -8.418 10.714 -1.133
114 HH22 ARG 14 1HH1 ARG 14 -7.173 11.881 -0.834
115 H SER 15 H SER 15 -6.691 2.962 3.016
116 HA SER 15 HA SER 15 -5.133 3.424 5.174
117 HB2 SER 15 1HB SER 15 -6.579 0.931 4.221
118 HB3 SER 15 2HB SER 15 -5.720 0.937 5.749
119 HG SER 15 HG SER 15 -7.080 2.567 6.544
120 H ASP 16 H ASP 16 -4.306 1.790 2.192
121 HA ASP 16 HA ASP 16 -2.074 0.444 3.416
122 HB2 ASP 16 1HB ASP 16 -3.671 0.114 1.038
123 HB3 ASP 16 2HB ASP 16 -2.015 0.367 0.524
124 H ALA 17 H ALA 17 -2.952 3.304 1.501
125 HA ALA 17 HA ALA 17 -0.230 3.848 0.711
126 HB1 ALA 17 1HB ALA 17 -1.208 5.225 -0.795
127 HB2 ALA 17 2HB ALA 17 -2.733 4.447 -0.308
128 HB3 ALA 17 3HB ALA 17 -2.240 5.986 0.439
129 H LEU 18 H LEU 18 -0.157 3.522 3.411
130 HA LEU 18 HA LEU 18 0.900 5.919 4.301
131 HB2 LEU 18 1HB LEU 18 -0.678 7.048 5.389
132 HB3 LEU 18 2HB LEU 18 -1.765 6.232 4.283
133 HG LEU 18 HG LEU 18 -2.638 6.171 6.544
134 HD11 LEU 18 1HD1 LEU 18 -2.299 3.938 4.863
135 HD12 LEU 18 2HD1 LEU 18 -2.038 3.353 6.524
136 HD13 LEU 18 3HD1 LEU 18 -3.548 4.197 6.104
137 HD21 LEU 18 3HD2 LEU 18 -0.800 4.314 7.773
138 HD22 LEU 18 1HD2 LEU 18 0.041 5.811 7.303
139 HD23 LEU 18 2HD2 LEU 18 -1.391 5.888 8.358
140 H SER 19 H SER 19 -0.735 2.822 5.045
141 HA SER 19 HA SER 19 0.352 2.461 7.551
142 HB2 SER 19 1HB SER 19 -0.970 0.810 5.490
143 HB3 SER 19 2HB SER 19 0.158 -0.108 6.467
144 HG SER 19 HG SER 19 -1.098 1.294 8.276
145 H LYS 20 H LYS 20 1.869 2.584 4.461
146 HA LYS 20 HA LYS 20 3.963 0.724 5.013
147 HB2 LYS 20 1HB LYS 20 4.202 2.881 2.949
148 HB3 LYS 20 2HB LYS 20 4.729 1.211 2.890
149 HG2 LYS 20 1HG LYS 20 1.928 2.318 2.531
150 HG3 LYS 20 2HG LYS 20 2.831 1.270 1.455
151 HD2 LYS 20 1HD LYS 20 2.709 -0.250 3.791
152 HD3 LYS 20 2HD LYS 20 1.160 0.570 3.803
153 HE2 LYS 20 1HE LYS 20 0.481 -0.389 1.743
154 HE3 LYS 20 2HE LYS 20 2.125 -0.723 1.238
155 HZ1 LYS 20 3HZ LYS 20 2.201 -2.319 3.130
156 HZ2 LYS 20 1HZ LYS 20 0.590 -2.122 3.306
157 HZ3 LYS 20 2HZ LYS 20 1.190 -2.737 1.918
158 H HIS 21 H HIS 21 3.204 4.009 5.897
159 HA HIS 21 HA HIS 21 5.993 4.570 6.483
160 HB2 HIS 21 1HB HIS 21 3.863 6.522 7.172
161 HB3 HIS 21 2HB HIS 21 5.452 6.782 6.480
162 HD1 HIS 21 1HD HIS 21 2.748 8.035 5.362
163 HD2 HIS 21 2HD HIS 21 4.721 4.669 3.822
164 HE1 HIS 21 1HE HIS 21 2.006 7.822 2.930
165 HE2 HIS 21 2HE HIS 21 3.293 5.770 2.022
166 H ILE 22 H ILE 22 2.970 3.552 7.971
167 HA ILE 22 HA ILE 22 3.827 4.257 10.624
168 HB ILE 22 HB ILE 22 1.738 3.649 11.308
169 HG12 ILE 22 1HG1 ILE 22 1.517 1.713 8.983
170 HG13 ILE 22 2HG1 ILE 22 1.922 1.281 10.632
171 HG21 ILE 22 1HG2 ILE 22 0.184 4.617 9.838
172 HG22 ILE 22 2HG2 ILE 22 1.737 5.389 9.438
173 HG23 ILE 22 3HG2 ILE 22 1.089 4.100 8.395
174 HD11 ILE 22 3HD1 ILE 22 -0.480 0.904 10.214
175 HD12 ILE 22 1HD1 ILE 22 -0.266 2.200 11.415
176 HD13 ILE 22 2HD1 ILE 22 -0.678 2.605 9.731
177 H LYS 23 H LYS 23 3.944 1.477 8.416
178 HA LYS 23 HA LYS 23 4.663 -0.355 10.500
179 HB2 LYS 23 1HB LYS 23 4.130 -0.451 7.589
180 HB3 LYS 23 2HB LYS 23 5.318 -1.604 8.164
181 HG2 LYS 23 1HG LYS 23 2.486 -1.243 9.252
182 HG3 LYS 23 2HG LYS 23 3.055 -2.585 8.279
183 HD2 LYS 23 1HD LYS 23 3.741 -3.664 10.148
184 HD3 LYS 23 2HD LYS 23 4.857 -2.360 10.501
185 HE2 LYS 23 1HE LYS 23 3.487 -1.440 12.100
186 HE3 LYS 23 2HE LYS 23 2.035 -1.705 11.155
187 HZ1 LYS 23 3HZ LYS 23 1.946 -3.108 13.016
188 HZ2 LYS 23 1HZ LYS 23 2.265 -4.087 11.748
189 HZ3 LYS 23 2HZ LYS 23 3.457 -3.683 12.789
190 H THR 24 H THR 24 6.221 2.268 9.187
191 HA THR 24 HA THR 24 8.715 1.536 10.237
192 HB THR 24 HB THR 24 8.829 0.045 8.255
193 HG1 THR 24 1HG THR 24 10.878 0.882 8.438
194 HG21 THR 24 3HG2 THR 24 7.679 2.407 6.919
195 HG22 THR 24 1HG2 THR 24 9.179 1.867 6.127
196 HG23 THR 24 2HG2 THR 24 7.818 0.737 6.319
197 H ALA 25 H ALA 25 9.744 3.210 7.658
198 HA ALA 25 HA ALA 25 8.627 5.664 7.621
199 HB1 ALA 25 1HB ALA 25 9.935 5.138 10.212
200 HB2 ALA 25 2HB ALA 25 10.509 6.619 9.409
201 HB3 ALA 25 3HB ALA 25 8.775 6.408 9.754
202 H PHE 26 H PHE 26 9.749 4.469 5.639
203 HA PHE 26 HA PHE 26 11.842 6.092 4.835
204 HB2 PHE 26 1HB PHE 26 13.722 4.477 4.943
205 HB3 PHE 26 2HB PHE 26 13.070 4.668 6.559
206 HD1 PHE 26 1HD PHE 26 10.579 2.874 5.176
207 HD2 PHE 26 2HD PHE 26 14.676 2.386 6.165
208 HE1 PHE 26 1HE PHE 26 10.245 0.391 5.335
209 HE2 PHE 26 2HE PHE 26 14.342 -0.096 6.325
210 HZ PHE 26 HZ PHE 26 12.131 -1.064 5.908
211 H ILE 27 H ILE 27 13.218 4.144 3.130
212 HA ILE 27 HA ILE 27 10.979 3.077 1.574
213 HB ILE 27 HB ILE 27 11.911 3.943 -0.468
214 HG12 ILE 27 1HG1 ILE 27 13.768 5.899 0.353
215 HG13 ILE 27 2HG1 ILE 27 14.246 4.427 1.175
216 HG21 ILE 27 1HG2 ILE 27 11.420 6.007 1.686
217 HG22 ILE 27 2HG2 ILE 27 11.574 6.409 -0.041
218 HG23 ILE 27 3HG2 ILE 27 10.262 5.339 0.511
219 HD11 ILE 27 3HD1 ILE 27 13.470 4.123 -1.702
220 HD12 ILE 27 1HD1 ILE 27 14.986 4.996 -1.374
221 HD13 ILE 27 2HD1 ILE 27 14.773 3.329 -0.785
222 H VAL 28 H VAL 28 11.453 0.965 2.290
223 HA VAL 28 HA VAL 28 13.550 -0.291 0.843
224 HB VAL 28 HB VAL 28 13.872 0.287 3.759
225 HG11 VAL 28 1HG1 VAL 28 14.297 -2.340 2.479
226 HG12 VAL 28 2HG1 VAL 28 15.699 -1.714 3.379
227 HG13 VAL 28 3HG1 VAL 28 14.131 -1.911 4.198
228 HG21 VAL 28 3HG2 VAL 28 16.358 0.129 2.775
229 HG22 VAL 28 1HG2 VAL 28 15.491 0.473 1.259
230 HG23 VAL 28 2HG2 VAL 28 15.363 1.598 2.632
231 H VAL 29 H VAL 29 11.265 -0.467 3.645
232 HA VAL 29 HA VAL 29 10.267 -2.960 2.468
233 HB VAL 29 HB VAL 29 10.677 -2.445 5.419
234 HG11 VAL 29 1HG1 VAL 29 10.369 -5.105 5.227
235 HG12 VAL 29 2HG1 VAL 29 9.001 -3.989 5.451
236 HG13 VAL 29 3HG1 VAL 29 9.387 -4.609 3.828
237 HG21 VAL 29 3HG2 VAL 29 12.560 -3.303 3.413
238 HG22 VAL 29 1HG2 VAL 29 12.805 -3.059 5.159
239 HG23 VAL 29 2HG2 VAL 29 12.246 -4.635 4.551
240 H ALA 30 H ALA 30 9.664 0.190 2.906
241 HA ALA 30 HA ALA 30 7.133 0.065 4.240
242 HB1 ALA 30 1HB ALA 30 7.053 2.422 3.793
243 HB2 ALA 30 2HB ALA 30 8.743 2.035 4.194
244 HB3 ALA 30 3HB ALA 30 8.265 2.283 2.497
245 H LEU 31 H LEU 31 7.936 1.235 0.898
246 HA LEU 31 HA LEU 31 6.121 -0.609 -0.291
247 HB2 LEU 31 1HB LEU 31 4.307 0.663 -0.741
248 HB3 LEU 31 2HB LEU 31 4.729 1.288 0.841
249 HG LEU 31 HG LEU 31 5.613 2.613 -1.730
250 HD11 LEU 31 1HD1 LEU 31 3.637 4.223 -0.698
251 HD12 LEU 31 2HD1 LEU 31 3.465 3.117 -2.082
252 HD13 LEU 31 3HD1 LEU 31 2.975 2.589 -0.454
253 HD21 LEU 31 3HD2 LEU 31 6.951 3.236 0.177
254 HD22 LEU 31 1HD2 LEU 31 5.887 4.593 -0.263
255 HD23 LEU 31 2HD2 LEU 31 5.493 3.572 1.141
256 H GLY 32 H GLY 32 5.684 0.526 -2.733
257 HA2 GLY 32 1HA GLY 32 7.298 2.135 -4.044
258 HA3 GLY 32 2HA GLY 32 8.423 0.833 -3.713
Start of MODEL 4
1 H1 TYR 1 H TYR 1 -12.179 -0.352 -12.566
2 HA TYR 1 HA TYR 1 -10.930 -2.595 -12.838
3 HB2 TYR 1 1HB TYR 1 -12.455 -1.589 -10.908
4 HB3 TYR 1 2HB TYR 1 -13.731 -2.587 -11.577
5 HD1 TYR 1 2HD TYR 1 -10.162 -2.935 -10.452
6 HD2 TYR 1 1HD TYR 1 -14.062 -4.684 -10.642
7 HE1 TYR 1 2HE TYR 1 -9.352 -4.909 -9.070
8 HE2 TYR 1 1HE TYR 1 -13.238 -6.653 -9.260
9 HH TYR 1 HH TYR 1 -10.039 -6.635 -7.826
10 H ALA 2 H ALA 2 -11.732 -4.987 -12.862
11 HA ALA 2 HA ALA 2 -14.014 -5.710 -14.262
12 HB1 ALA 2 1HB ALA 2 -13.389 -4.858 -16.305
13 HB2 ALA 2 2HB ALA 2 -11.651 -4.954 -15.937
14 HB3 ALA 2 3HB ALA 2 -12.546 -6.422 -16.396
15 H PHE 3 H PHE 3 -10.494 -6.335 -13.750
16 HA PHE 3 HA PHE 3 -11.084 -8.742 -12.379
17 HB2 PHE 3 1HB PHE 3 -10.083 -10.271 -14.035
18 HB3 PHE 3 2HB PHE 3 -11.336 -9.362 -14.857
19 HD1 PHE 3 2HD PHE 3 -10.673 -7.425 -16.322
20 HD2 PHE 3 1HD PHE 3 -7.826 -10.142 -14.734
21 HE1 PHE 3 2HE PHE 3 -9.005 -6.683 -18.044
22 HE2 PHE 3 1HE PHE 3 -6.158 -9.400 -16.457
23 HZ PHE 3 HZ PHE 3 -6.767 -7.680 -18.091
24 H ALA 4 H ALA 4 -8.621 -6.897 -14.291
25 HA ALA 4 HA ALA 4 -7.008 -6.429 -12.062
26 HB1 ALA 4 1HB ALA 4 -6.676 -8.943 -12.349
27 HB2 ALA 4 2HB ALA 4 -5.877 -8.572 -13.895
28 HB3 ALA 4 3HB ALA 4 -5.193 -7.959 -12.370
29 H CYS 5 H CYS 5 -8.019 -4.706 -13.864
30 HA CYS 5 HA CYS 5 -6.352 -4.395 -16.136
31 HB2 CYS 5 1HB CYS 5 -8.727 -3.112 -15.019
32 HB3 CYS 5 2HB CYS 5 -7.599 -1.937 -15.665
33 HG CYS 5 HG CYS 5 -8.188 -2.234 -17.931
34 HA PRO 6 HA PRO 6 -4.459 -1.086 -13.294
35 HB2 PRO 6 1HB PRO 6 -5.205 -0.941 -10.669
36 HB3 PRO 6 2HB PRO 6 -5.911 0.060 -11.922
37 HG2 PRO 6 1HG PRO 6 -7.071 -2.291 -10.555
38 HG3 PRO 6 2HG PRO 6 -7.887 -1.043 -11.476
39 HD2 PRO 6 1HD PRO 6 -7.293 -3.710 -12.349
40 HD3 PRO 6 2HD PRO 6 -8.004 -2.428 -13.308
41 H ALA 7 H ALA 7 -4.935 -4.293 -12.404
42 HA ALA 7 HA ALA 7 -3.346 -5.815 -11.955
43 HB1 ALA 7 1HB ALA 7 -1.065 -5.295 -11.895
44 HB2 ALA 7 2HB ALA 7 -1.727 -3.975 -12.889
45 HB3 ALA 7 3HB ALA 7 -1.346 -3.692 -11.173
46 H CYS 8 H CYS 8 -3.203 -2.892 -9.805
47 HA CYS 8 HA CYS 8 -3.190 -4.688 -7.521
48 HB2 CYS 8 1HB CYS 8 -1.952 -2.204 -8.047
49 HB3 CYS 8 2HB CYS 8 -3.170 -1.873 -6.831
50 HG CYS 8 HG CYS 8 -1.302 -2.338 -5.304
51 HA PRO 9 HA PRO 9 -7.401 -3.880 -6.757
52 HB2 PRO 9 1HB PRO 9 -7.576 -4.255 -4.056
53 HB3 PRO 9 2HB PRO 9 -7.536 -5.577 -5.206
54 HG2 PRO 9 1HG PRO 9 -5.392 -4.617 -3.411
55 HG3 PRO 9 2HG PRO 9 -5.525 -6.157 -4.237
56 HD2 PRO 9 1HD PRO 9 -3.846 -3.953 -4.977
57 HD3 PRO 9 2HD PRO 9 -4.067 -5.447 -5.866
58 H LYS 10 H LYS 10 -8.749 -2.795 -4.577
59 HA LYS 10 HA LYS 10 -7.726 -0.045 -4.741
60 HB2 LYS 10 1HB LYS 10 -10.582 -1.057 -4.750
61 HB3 LYS 10 2HB LYS 10 -10.149 0.623 -4.503
62 HG2 LYS 10 1HG LYS 10 -9.427 0.916 -6.702
63 HG3 LYS 10 2HG LYS 10 -8.924 -0.753 -6.879
64 HD2 LYS 10 1HD LYS 10 -10.895 -0.444 -8.257
65 HD3 LYS 10 2HD LYS 10 -11.364 -1.439 -6.892
66 HE2 LYS 10 1HE LYS 10 -12.005 0.871 -5.758
67 HE3 LYS 10 2HE LYS 10 -11.991 1.485 -7.399
68 HZ1 LYS 10 3HZ LYS 10 -13.461 -0.535 -7.862
69 HZ2 LYS 10 1HZ LYS 10 -13.716 -0.563 -6.250
70 HZ3 LYS 10 2HZ LYS 10 -14.127 0.757 -7.119
71 H ARG 11 H ARG 11 -8.025 -2.733 -2.782
72 HA ARG 11 HA ARG 11 -8.685 -1.157 -0.448
73 HB2 ARG 11 1HB ARG 11 -9.658 -3.539 -1.004
74 HB3 ARG 11 2HB ARG 11 -8.103 -4.146 -0.471
75 HG2 ARG 11 1HG ARG 11 -8.929 -2.260 1.511
76 HG3 ARG 11 2HG ARG 11 -10.349 -3.216 1.135
77 HD2 ARG 11 1HD ARG 11 -8.927 -4.202 2.981
78 HD3 ARG 11 2HD ARG 11 -9.186 -5.299 1.638
79 HE ARG 11 HE ARG 11 -6.826 -3.942 0.990
80 HH11 ARG 11 2HH2 ARG 11 -7.928 -5.932 3.675
81 HH12 ARG 11 1HH2 ARG 11 -6.346 -6.527 4.050
82 HH21 ARG 11 2HH1 ARG 11 -4.738 -4.726 1.485
83 HH22 ARG 11 1HH1 ARG 11 -4.519 -5.837 2.797
84 H PHE 12 H PHE 12 -6.052 -2.893 -2.095
85 HA PHE 12 HA PHE 12 -4.301 -2.995 0.117
86 HB2 PHE 12 1HB PHE 12 -4.094 -4.427 -1.905
87 HB3 PHE 12 2HB PHE 12 -4.001 -3.018 -2.942
88 HD1 PHE 12 1HD PHE 12 -1.966 -1.477 -2.662
89 HD2 PHE 12 2HD PHE 12 -2.144 -5.401 -1.058
90 HE1 PHE 12 1HE PHE 12 0.538 -1.525 -2.504
91 HE2 PHE 12 2HE PHE 12 0.361 -5.450 -0.900
92 HZ PHE 12 HZ PHE 12 1.672 -3.512 -1.625
93 H MET 13 H MET 13 -4.765 -0.689 -2.630
94 HA MET 13 HA MET 13 -2.583 0.856 -2.295
95 HB2 MET 13 1HB MET 13 -4.345 2.762 -2.987
96 HB3 MET 13 2HB MET 13 -3.956 1.473 -4.109
97 HG2 MET 13 1HG MET 13 -6.011 0.403 -3.822
98 HG3 MET 13 2HG MET 13 -6.181 0.930 -2.159
99 HE1 MET 13 3HE MET 13 -5.701 2.072 -5.671
100 HE2 MET 13 1HE MET 13 -7.454 1.850 -5.879
101 HE3 MET 13 2HE MET 13 -6.756 3.487 -5.900
102 H ARG 14 H ARG 14 -5.289 0.476 -0.101
103 HA ARG 14 HA ARG 14 -4.585 2.917 1.267
104 HB2 ARG 14 1HB ARG 14 -6.745 0.935 2.101
105 HB3 ARG 14 2HB ARG 14 -6.643 2.637 2.504
106 HG2 ARG 14 1HG ARG 14 -7.075 3.276 0.169
107 HG3 ARG 14 2HG ARG 14 -6.995 1.604 -0.348
108 HD2 ARG 14 1HD ARG 14 -9.012 1.042 0.938
109 HD3 ARG 14 2HD ARG 14 -9.041 2.631 1.675
110 HE ARG 14 HE ARG 14 -9.091 3.138 -1.074
111 HH11 ARG 14 2HH2 ARG 14 -11.089 1.320 1.180
112 HH12 ARG 14 1HH2 ARG 14 -12.545 1.545 0.270
113 HH21 ARG 14 2HH1 ARG 14 -11.012 3.436 -2.275
114 HH22 ARG 14 1HH1 ARG 14 -12.501 2.757 -1.709
115 H SER 15 H SER 15 -4.948 -0.649 1.860
116 HA SER 15 HA SER 15 -4.091 -0.629 4.466
117 HB2 SER 15 1HB SER 15 -3.822 -2.769 2.311
118 HB3 SER 15 2HB SER 15 -3.484 -3.062 4.006
119 HG SER 15 HG SER 15 -6.017 -2.117 2.960
120 H ASP 16 H ASP 16 -2.358 0.057 1.555
121 HA ASP 16 HA ASP 16 0.166 -0.670 2.774
122 HB2 ASP 16 1HB ASP 16 -0.848 -0.261 0.023
123 HB3 ASP 16 2HB ASP 16 0.705 0.506 0.289
124 H ALA 17 H ALA 17 -2.008 1.994 2.123
125 HA ALA 17 HA ALA 17 0.075 4.005 2.251
126 HB1 ALA 17 1HB ALA 17 -1.459 4.972 0.910
127 HB2 ALA 17 2HB ALA 17 -2.715 3.801 1.381
128 HB3 ALA 17 3HB ALA 17 -2.426 5.247 2.379
129 H LEU 18 H LEU 18 -0.576 2.029 4.513
130 HA LEU 18 HA LEU 18 -0.555 4.035 6.577
131 HB2 LEU 18 1HB LEU 18 -2.505 3.595 7.620
132 HB3 LEU 18 2HB LEU 18 -3.005 3.333 5.961
133 HG LEU 18 HG LEU 18 -3.939 1.505 6.961
134 HD11 LEU 18 1HD1 LEU 18 -1.954 0.935 5.271
135 HD12 LEU 18 2HD1 LEU 18 -1.338 0.080 6.706
136 HD13 LEU 18 3HD1 LEU 18 -2.944 -0.322 6.051
137 HD21 LEU 18 3HD2 LEU 18 -3.576 1.056 9.100
138 HD22 LEU 18 1HD2 LEU 18 -1.977 0.378 8.708
139 HD23 LEU 18 2HD2 LEU 18 -2.143 2.112 9.076
140 H SER 19 H SER 19 1.100 1.829 5.208
141 HA SER 19 HA SER 19 1.752 0.488 7.710
142 HB2 SER 19 1HB SER 19 1.016 -0.700 5.117
143 HB3 SER 19 2HB SER 19 2.570 -1.276 5.686
144 HG SER 19 HG SER 19 1.481 -2.563 6.992
145 H LYS 20 H LYS 20 3.006 0.793 4.298
146 HA LYS 20 HA LYS 20 5.693 0.953 5.243
147 HB2 LYS 20 1HB LYS 20 4.705 1.554 2.450
148 HB3 LYS 20 2HB LYS 20 6.297 1.014 2.942
149 HG2 LYS 20 1HG LYS 20 3.705 -0.592 3.103
150 HG3 LYS 20 2HG LYS 20 5.047 -0.884 2.015
151 HD2 LYS 20 1HD LYS 20 6.320 -0.911 4.483
152 HD3 LYS 20 2HD LYS 20 4.756 -1.590 4.889
153 HE2 LYS 20 1HE LYS 20 5.081 -3.145 2.823
154 HE3 LYS 20 2HE LYS 20 6.752 -2.617 2.830
155 HZ1 LYS 20 3HZ LYS 20 5.500 -3.654 5.260
156 HZ2 LYS 20 1HZ LYS 20 6.155 -4.661 4.154
157 HZ3 LYS 20 2HZ LYS 20 7.090 -3.551 4.902
158 H HIS 21 H HIS 21 4.593 2.847 6.728
159 HA HIS 21 HA HIS 21 5.948 5.156 5.925
160 HB2 HIS 21 1HB HIS 21 4.434 6.477 4.951
161 HB3 HIS 21 2HB HIS 21 3.559 4.997 4.613
162 HD1 HIS 21 1HD HIS 21 1.143 5.509 4.989
163 HD2 HIS 21 2HD HIS 21 3.582 7.113 8.001
164 HE1 HIS 21 1HE HIS 21 -0.432 6.554 6.703
165 HE2 HIS 21 2HE HIS 21 1.121 7.475 8.556
166 H ILE 22 H ILE 22 3.355 3.618 7.872
167 HA ILE 22 HA ILE 22 4.118 5.344 10.110
168 HB ILE 22 HB ILE 22 1.908 5.556 10.184
169 HG12 ILE 22 1HG1 ILE 22 2.532 4.046 12.131
170 HG13 ILE 22 2HG1 ILE 22 0.833 4.129 11.708
171 HG21 ILE 22 1HG2 ILE 22 0.294 3.967 9.135
172 HG22 ILE 22 2HG2 ILE 22 1.501 4.636 8.010
173 HG23 ILE 22 3HG2 ILE 22 1.679 2.974 8.620
174 HD11 ILE 22 3HD1 ILE 22 2.262 1.786 12.011
175 HD12 ILE 22 1HD1 ILE 22 0.750 1.932 11.082
176 HD13 ILE 22 2HD1 ILE 22 2.319 2.015 10.246
177 H LYS 23 H LYS 23 4.600 2.235 8.719
178 HA LYS 23 HA LYS 23 4.999 0.913 11.253
179 HB2 LYS 23 1HB LYS 23 5.437 -0.005 8.395
180 HB3 LYS 23 2HB LYS 23 5.633 -1.014 9.814
181 HG2 LYS 23 1HG LYS 23 3.036 0.472 9.232
182 HG3 LYS 23 2HG LYS 23 3.350 -1.133 8.604
183 HD2 LYS 23 1HD LYS 23 3.847 -1.839 11.045
184 HD3 LYS 23 2HD LYS 23 3.176 -0.294 11.528
185 HE2 LYS 23 1HE LYS 23 1.264 -1.298 9.725
186 HE3 LYS 23 2HE LYS 23 1.787 -2.725 10.598
187 HZ1 LYS 23 3HZ LYS 23 0.408 -2.011 12.155
188 HZ2 LYS 23 1HZ LYS 23 1.520 -0.876 12.531
189 HZ3 LYS 23 2HZ LYS 23 0.282 -0.507 11.532
190 H THR 24 H THR 24 6.610 3.354 9.913
191 HA THR 24 HA THR 24 8.995 2.856 11.260
192 HB THR 24 HB THR 24 9.285 1.144 9.419
193 HG1 THR 24 1HG THR 24 11.412 1.831 9.422
194 HG21 THR 24 3HG2 THR 24 9.628 3.558 7.587
195 HG22 THR 24 1HG2 THR 24 9.605 1.836 7.140
196 HG23 THR 24 2HG2 THR 24 8.101 2.646 7.638
197 H ALA 25 H ALA 25 9.378 4.859 11.947
198 HA ALA 25 HA ALA 25 8.660 7.062 10.185
199 HB1 ALA 25 1HB ALA 25 9.787 7.497 12.918
200 HB2 ALA 25 2HB ALA 25 8.417 8.292 12.106
201 HB3 ALA 25 3HB ALA 25 8.212 6.674 12.818
202 H PHE 26 H PHE 26 10.469 6.362 8.672
203 HA PHE 26 HA PHE 26 12.710 8.024 9.162
204 HB2 PHE 26 1HB PHE 26 14.387 6.263 9.347
205 HB3 PHE 26 2HB PHE 26 13.139 5.836 10.500
206 HD1 PHE 26 2HD PHE 26 11.432 5.113 7.729
207 HD2 PHE 26 1HD PHE 26 14.949 3.779 9.695
208 HE1 PHE 26 2HE PHE 26 11.190 2.866 6.637
209 HE2 PHE 26 1HE PHE 26 14.707 1.532 8.603
210 HZ PHE 26 HZ PHE 26 12.830 1.102 7.087
211 H ILE 27 H ILE 27 14.539 6.778 7.348
212 HA ILE 27 HA ILE 27 12.927 6.499 4.919
213 HB ILE 27 HB ILE 27 13.501 8.732 4.762
214 HG12 ILE 27 1HG1 ILE 27 15.939 8.161 3.336
215 HG13 ILE 27 2HG1 ILE 27 14.791 6.866 3.061
216 HG21 ILE 27 1HG2 ILE 27 16.308 8.117 5.722
217 HG22 ILE 27 2HG2 ILE 27 15.621 9.719 5.360
218 HG23 ILE 27 3HG2 ILE 27 14.999 8.774 6.734
219 HD11 ILE 27 3HD1 ILE 27 14.592 8.797 1.431
220 HD12 ILE 27 1HD1 ILE 27 13.084 8.428 2.303
221 HD13 ILE 27 2HD1 ILE 27 14.078 9.821 2.793
222 H VAL 28 H VAL 28 13.265 4.304 4.673
223 HA VAL 28 HA VAL 28 15.789 3.529 3.677
224 HB VAL 28 HB VAL 28 15.114 2.927 6.518
225 HG11 VAL 28 1HG1 VAL 28 16.023 0.917 4.538
226 HG12 VAL 28 2HG1 VAL 28 16.962 0.993 6.048
227 HG13 VAL 28 3HG1 VAL 28 15.207 0.703 6.105
228 HG21 VAL 28 3HG2 VAL 28 16.915 4.280 6.620
229 HG22 VAL 28 1HG2 VAL 28 17.834 2.806 6.233
230 HG23 VAL 28 2HG2 VAL 28 17.390 3.944 4.938
231 H VAL 29 H VAL 29 12.656 2.562 5.178
232 HA VAL 29 HA VAL 29 12.143 0.949 2.821
233 HB VAL 29 HB VAL 29 12.195 -0.129 5.643
234 HG11 VAL 29 1HG1 VAL 29 11.464 -2.283 4.254
235 HG12 VAL 29 2HG1 VAL 29 10.271 -1.156 4.941
236 HG13 VAL 29 3HG1 VAL 29 10.707 -1.049 3.219
237 HG21 VAL 29 3HG2 VAL 29 13.632 -0.969 3.102
238 HG22 VAL 29 1HG2 VAL 29 14.357 -0.189 4.529
239 HG23 VAL 29 2HG2 VAL 29 13.695 -1.837 4.655
240 H ALA 30 H ALA 30 11.293 3.528 4.351
241 HA ALA 30 HA ALA 30 8.548 2.850 5.006
242 HB1 ALA 30 1HB ALA 30 9.348 5.686 4.979
243 HB2 ALA 30 2HB ALA 30 8.629 4.715 6.285
244 HB3 ALA 30 3HB ALA 30 10.385 4.665 6.003
245 H LEU 31 H LEU 31 9.174 2.244 2.332
246 HA LEU 31 HA LEU 31 8.813 4.273 0.507
247 HB2 LEU 31 1HB LEU 31 7.883 2.396 -0.938
248 HB3 LEU 31 2HB LEU 31 9.524 2.252 -0.339
249 HG LEU 31 HG LEU 31 7.701 1.001 1.520
250 HD11 LEU 31 1HD1 LEU 31 7.276 -0.931 -0.272
251 HD12 LEU 31 2HD1 LEU 31 6.112 0.384 0.020
252 HD13 LEU 31 3HD1 LEU 31 7.222 0.470 -1.369
253 HD21 LEU 31 3HD2 LEU 31 10.191 0.652 1.182
254 HD22 LEU 31 1HD2 LEU 31 9.202 -0.816 1.373
255 HD23 LEU 31 2HD2 LEU 31 9.765 -0.326 -0.243
256 H GLY 32 H GLY 32 7.205 5.716 0.240
257 HA2 GLY 32 1HA GLY 32 4.768 5.698 -0.383
258 HA3 GLY 32 2HA GLY 32 4.511 4.932 1.172
Start of MODEL 5
1 H1 TYR 1 H TYR 1 -11.912 -1.624 -12.432
2 HA TYR 1 HA TYR 1 -10.789 -2.873 -13.885
3 HB2 TYR 1 1HB TYR 1 -8.894 -4.190 -12.760
4 HB3 TYR 1 2HB TYR 1 -9.027 -2.547 -12.167
5 HD1 TYR 1 2HD TYR 1 -10.344 -5.975 -11.374
6 HD2 TYR 1 1HD TYR 1 -8.986 -2.207 -9.870
7 HE1 TYR 1 2HE TYR 1 -10.547 -6.844 -8.994
8 HE2 TYR 1 1HE TYR 1 -9.194 -3.089 -7.494
9 HH TYR 1 HH TYR 1 -10.952 -5.587 -6.648
10 H ALA 2 H ALA 2 -9.851 -5.400 -14.148
11 HA ALA 2 HA ALA 2 -12.313 -6.950 -13.967
12 HB1 ALA 2 1HB ALA 2 -9.726 -7.362 -15.522
13 HB2 ALA 2 2HB ALA 2 -11.164 -8.405 -15.624
14 HB3 ALA 2 3HB ALA 2 -11.253 -6.712 -16.166
15 H PHE 3 H PHE 3 -8.833 -6.982 -13.029
16 HA PHE 3 HA PHE 3 -9.488 -8.697 -10.825
17 HB2 PHE 3 1HB PHE 3 -7.755 -10.403 -11.576
18 HB3 PHE 3 2HB PHE 3 -9.131 -10.337 -12.659
19 HD1 PHE 3 2HD PHE 3 -8.914 -9.094 -14.833
20 HD2 PHE 3 1HD PHE 3 -5.573 -9.893 -12.342
21 HE1 PHE 3 2HE PHE 3 -7.372 -8.671 -16.767
22 HE2 PHE 3 1HE PHE 3 -4.030 -9.470 -14.277
23 HZ PHE 3 HZ PHE 3 -4.948 -8.864 -16.466
24 H ALA 4 H ALA 4 -6.941 -7.153 -12.873
25 HA ALA 4 HA ALA 4 -5.918 -5.680 -10.725
26 HB1 ALA 4 1HB ALA 4 -3.678 -6.856 -10.586
27 HB2 ALA 4 2HB ALA 4 -5.036 -7.749 -9.860
28 HB3 ALA 4 3HB ALA 4 -4.415 -8.220 -11.460
29 H CYS 5 H CYS 5 -6.833 -4.973 -13.219
30 HA CYS 5 HA CYS 5 -4.856 -4.992 -15.200
31 HB2 CYS 5 1HB CYS 5 -7.513 -3.839 -14.822
32 HB3 CYS 5 2HB CYS 5 -6.449 -2.744 -15.682
33 HG CYS 5 HG CYS 5 -6.361 -5.945 -16.374
34 HA PRO 6 HA PRO 6 -3.841 -0.717 -13.382
35 HB2 PRO 6 1HB PRO 6 -4.997 0.088 -11.040
36 HB3 PRO 6 2HB PRO 6 -5.615 0.535 -12.617
37 HG2 PRO 6 1HG PRO 6 -6.681 -1.450 -10.704
38 HG3 PRO 6 2HG PRO 6 -7.489 -0.689 -12.060
39 HD2 PRO 6 1HD PRO 6 -6.449 -3.361 -11.960
40 HD3 PRO 6 2HD PRO 6 -7.152 -2.561 -13.352
41 H ALA 7 H ALA 7 -3.770 -3.628 -11.933
42 HA ALA 7 HA ALA 7 -2.040 -4.593 -10.881
43 HB1 ALA 7 1HB ALA 7 -0.752 -2.454 -11.779
44 HB2 ALA 7 2HB ALA 7 -0.811 -1.970 -10.067
45 HB3 ALA 7 3HB ALA 7 -0.025 -3.498 -10.533
46 H CYS 8 H CYS 8 -2.430 -1.457 -9.086
47 HA CYS 8 HA CYS 8 -2.884 -2.955 -6.681
48 HB2 CYS 8 1HB CYS 8 -1.762 -0.475 -7.246
49 HB3 CYS 8 2HB CYS 8 -3.301 -0.058 -6.518
50 HG CYS 8 HG CYS 8 -1.941 -0.052 -4.466
51 HA PRO 9 HA PRO 9 -7.225 -2.770 -7.190
52 HB2 PRO 9 1HB PRO 9 -7.977 -3.768 -4.760
53 HB3 PRO 9 2HB PRO 9 -7.511 -4.783 -6.110
54 HG2 PRO 9 1HG PRO 9 -5.976 -4.123 -3.671
55 HG3 PRO 9 2HG PRO 9 -5.726 -5.437 -4.803
56 HD2 PRO 9 1HD PRO 9 -4.200 -3.015 -4.621
57 HD3 PRO 9 2HD PRO 9 -4.025 -4.275 -5.826
58 H LYS 10 H LYS 10 -9.176 -2.298 -5.277
59 HA LYS 10 HA LYS 10 -8.478 0.472 -4.590
60 HB2 LYS 10 1HB LYS 10 -10.781 -0.682 -6.021
61 HB3 LYS 10 2HB LYS 10 -11.225 0.422 -4.735
62 HG2 LYS 10 1HG LYS 10 -8.962 1.500 -6.237
63 HG3 LYS 10 2HG LYS 10 -10.268 1.093 -7.332
64 HD2 LYS 10 1HD LYS 10 -11.849 2.477 -6.090
65 HD3 LYS 10 2HD LYS 10 -10.701 2.720 -4.788
66 HE2 LYS 10 1HE LYS 10 -9.374 4.210 -6.040
67 HE3 LYS 10 2HE LYS 10 -9.887 3.546 -7.579
68 HZ1 LYS 10 3HZ LYS 10 -10.842 5.768 -6.725
69 HZ2 LYS 10 1HZ LYS 10 -11.813 4.723 -7.520
70 HZ3 LYS 10 2HZ LYS 10 -11.879 4.821 -5.892
71 H ARG 11 H ARG 11 -7.575 -1.062 -2.709
72 HA ARG 11 HA ARG 11 -9.137 -0.469 -0.525
73 HB2 ARG 11 1HB ARG 11 -10.508 -2.424 -1.442
74 HB3 ARG 11 2HB ARG 11 -9.125 -3.462 -1.159
75 HG2 ARG 11 1HG ARG 11 -10.003 -1.768 1.157
76 HG3 ARG 11 2HG ARG 11 -11.093 -3.057 0.687
77 HD2 ARG 11 1HD ARG 11 -8.151 -3.350 1.456
78 HD3 ARG 11 2HD ARG 11 -9.534 -3.917 2.372
79 HE ARG 11 HE ARG 11 -8.307 -5.250 0.105
80 HH11 ARG 11 2HH2 ARG 11 -11.381 -4.767 1.748
81 HH12 ARG 11 1HH2 ARG 11 -12.063 -6.255 1.182
82 HH21 ARG 11 2HH1 ARG 11 -9.207 -7.213 -0.642
83 HH22 ARG 11 1HH1 ARG 11 -10.818 -7.656 -0.187
84 H PHE 12 H PHE 12 -6.695 -2.603 -2.059
85 HA PHE 12 HA PHE 12 -5.303 -3.198 0.322
86 HB2 PHE 12 1HB PHE 12 -5.167 -4.515 -1.799
87 HB3 PHE 12 2HB PHE 12 -4.586 -3.108 -2.667
88 HD1 PHE 12 1HD PHE 12 -3.684 -5.519 -0.001
89 HD2 PHE 12 2HD PHE 12 -2.285 -2.615 -2.762
90 HE1 PHE 12 1HE PHE 12 -1.316 -6.197 0.485
91 HE2 PHE 12 2HE PHE 12 0.082 -3.293 -2.276
92 HZ PHE 12 HZ PHE 12 0.538 -5.076 -0.658
93 H MET 13 H MET 13 -4.947 -0.685 -2.247
94 HA MET 13 HA MET 13 -2.541 0.324 -1.575
95 HB2 MET 13 1HB MET 13 -3.770 2.608 -2.262
96 HB3 MET 13 2HB MET 13 -3.553 1.338 -3.449
97 HG2 MET 13 1HG MET 13 -5.808 0.740 -3.440
98 HG3 MET 13 2HG MET 13 -6.035 1.180 -1.759
99 HE1 MET 13 3HE MET 13 -6.977 2.140 -5.247
100 HE2 MET 13 1HE MET 13 -6.430 3.822 -5.447
101 HE3 MET 13 2HE MET 13 -5.236 2.511 -5.289
102 H ARG 14 H ARG 14 -5.492 0.397 0.315
103 HA ARG 14 HA ARG 14 -4.679 2.639 1.861
104 HB2 ARG 14 1HB ARG 14 -6.821 0.577 2.562
105 HB3 ARG 14 2HB ARG 14 -6.713 2.225 3.149
106 HG2 ARG 14 1HG ARG 14 -7.172 3.124 0.915
107 HG3 ARG 14 2HG ARG 14 -7.069 1.528 0.199
108 HD2 ARG 14 1HD ARG 14 -9.072 0.786 1.431
109 HD3 ARG 14 2HD ARG 14 -9.132 2.296 2.320
110 HE ARG 14 HE ARG 14 -9.183 2.710 -0.570
111 HH11 ARG 14 2HH2 ARG 14 -11.165 1.968 2.241
112 HH12 ARG 14 1HH2 ARG 14 -12.627 2.561 1.526
113 HH21 ARG 14 2HH1 ARG 14 -11.111 3.492 -1.514
114 HH22 ARG 14 1HH1 ARG 14 -12.596 3.433 -0.625
115 H SER 15 H SER 15 -4.972 -0.951 2.323
116 HA SER 15 HA SER 15 -4.102 -1.006 4.928
117 HB2 SER 15 1HB SER 15 -4.621 -2.895 2.787
118 HB3 SER 15 2HB SER 15 -3.154 -3.368 3.621
119 HG SER 15 HG SER 15 -5.051 -4.294 4.616
120 H ASP 16 H ASP 16 -2.404 -0.186 2.035
121 HA ASP 16 HA ASP 16 0.141 -0.953 3.173
122 HB2 ASP 16 1HB ASP 16 -0.922 -0.373 0.479
123 HB3 ASP 16 2HB ASP 16 0.608 0.430 0.770
124 H ALA 17 H ALA 17 -2.065 1.728 2.787
125 HA ALA 17 HA ALA 17 -0.003 3.750 3.010
126 HB1 ALA 17 1HB ALA 17 -1.675 5.249 2.438
127 HB2 ALA 17 2HB ALA 17 -2.301 3.767 1.675
128 HB3 ALA 17 3HB ALA 17 -2.949 4.302 3.244
129 H LEU 18 H LEU 18 -0.499 1.604 5.129
130 HA LEU 18 HA LEU 18 -0.384 3.411 7.345
131 HB2 LEU 18 1HB LEU 18 -2.314 2.970 8.427
132 HB3 LEU 18 2HB LEU 18 -2.884 2.886 6.772
133 HG LEU 18 HG LEU 18 -3.874 1.014 7.601
134 HD11 LEU 18 1HD1 LEU 18 -1.888 0.495 5.877
135 HD12 LEU 18 2HD1 LEU 18 -1.357 -0.520 7.239
136 HD13 LEU 18 3HD1 LEU 18 -2.969 -0.761 6.525
137 HD21 LEU 18 3HD2 LEU 18 -2.044 1.372 9.748
138 HD22 LEU 18 1HD2 LEU 18 -3.532 0.395 9.700
139 HD23 LEU 18 2HD2 LEU 18 -1.972 -0.335 9.248
140 H SER 19 H SER 19 1.192 1.335 5.787
141 HA SER 19 HA SER 19 1.863 -0.237 8.135
142 HB2 SER 19 1HB SER 19 1.004 -1.233 5.468
143 HB3 SER 19 2HB SER 19 2.465 -1.983 6.079
144 HG SER 19 HG SER 19 0.739 -3.203 6.866
145 H LYS 20 H LYS 20 2.872 0.386 4.685
146 HA LYS 20 HA LYS 20 5.638 0.295 5.459
147 HB2 LYS 20 1HB LYS 20 6.058 0.641 3.069
148 HB3 LYS 20 2HB LYS 20 4.942 -0.681 3.347
149 HG2 LYS 20 1HG LYS 20 3.313 1.644 3.140
150 HG3 LYS 20 2HG LYS 20 4.515 1.808 1.875
151 HD2 LYS 20 1HD LYS 20 2.511 -0.438 2.285
152 HD3 LYS 20 2HD LYS 20 2.735 0.572 0.870
153 HE2 LYS 20 1HE LYS 20 5.236 -0.574 1.071
154 HE3 LYS 20 2HE LYS 20 4.240 -1.862 1.719
155 HZ1 LYS 20 3HZ LYS 20 4.210 -0.704 -0.939
156 HZ2 LYS 20 1HZ LYS 20 4.121 -2.272 -0.490
157 HZ3 LYS 20 2HZ LYS 20 2.811 -1.308 -0.353
158 H HIS 21 H HIS 21 4.570 2.176 7.072
159 HA HIS 21 HA HIS 21 6.046 4.448 6.376
160 HB2 HIS 21 1HB HIS 21 4.617 5.823 5.375
161 HB3 HIS 21 2HB HIS 21 3.577 4.435 5.124
162 HD1 HIS 21 1HD HIS 21 1.243 5.123 5.665
163 HD2 HIS 21 2HD HIS 21 4.015 6.686 8.399
164 HE1 HIS 21 1HE HIS 21 -0.116 6.382 7.420
165 HE2 HIS 21 2HE HIS 21 1.637 7.273 9.102
166 H ILE 22 H ILE 22 3.369 2.961 8.250
167 HA ILE 22 HA ILE 22 4.025 4.638 10.529
168 HB ILE 22 HB ILE 22 2.048 3.832 11.510
169 HG12 ILE 22 1HG1 ILE 22 1.772 1.744 9.334
170 HG13 ILE 22 2HG1 ILE 22 2.486 1.414 10.900
171 HG21 ILE 22 1HG2 ILE 22 0.394 4.023 9.464
172 HG22 ILE 22 2HG2 ILE 22 1.337 5.424 10.026
173 HG23 ILE 22 3HG2 ILE 22 1.875 4.503 8.601
174 HD11 ILE 22 3HD1 ILE 22 0.356 2.282 11.984
175 HD12 ILE 22 1HD1 ILE 22 -0.355 2.379 10.355
176 HD13 ILE 22 2HD1 ILE 22 0.141 0.803 11.017
177 H LYS 23 H LYS 23 4.540 1.389 9.223
178 HA LYS 23 HA LYS 23 5.536 0.447 11.780
179 HB2 LYS 23 1HB LYS 23 5.140 -0.885 9.089
180 HB3 LYS 23 2HB LYS 23 5.887 -1.683 10.458
181 HG2 LYS 23 1HG LYS 23 3.092 -0.448 10.470
182 HG3 LYS 23 2HG LYS 23 3.429 -2.158 10.288
183 HD2 LYS 23 1HD LYS 23 4.734 -1.947 12.546
184 HD3 LYS 23 2HD LYS 23 3.920 -0.406 12.726
185 HE2 LYS 23 1HE LYS 23 2.335 -1.730 13.767
186 HE3 LYS 23 2HE LYS 23 1.749 -1.897 12.124
187 HZ1 LYS 23 3HZ LYS 23 3.749 -3.773 12.511
188 HZ2 LYS 23 1HZ LYS 23 2.738 -3.878 13.789
189 HZ3 LYS 23 2HZ LYS 23 2.155 -4.038 12.272
190 H THR 24 H THR 24 6.735 2.699 9.975
191 HA THR 24 HA THR 24 9.400 2.219 10.608
192 HB THR 24 HB THR 24 9.063 0.450 8.772
193 HG1 THR 24 1HG THR 24 10.817 2.782 8.606
194 HG21 THR 24 3HG2 THR 24 7.646 2.085 7.303
195 HG22 THR 24 1HG2 THR 24 9.198 2.867 6.916
196 HG23 THR 24 2HG2 THR 24 8.928 1.162 6.482
197 H ALA 25 H ALA 25 10.072 4.220 11.014
198 HA ALA 25 HA ALA 25 8.891 6.370 9.419
199 HB1 ALA 25 1HB ALA 25 10.588 6.999 11.772
200 HB2 ALA 25 2HB ALA 25 8.991 7.634 11.309
201 HB3 ALA 25 3HB ALA 25 9.119 6.060 12.129
202 H PHE 26 H PHE 26 10.285 5.697 7.554
203 HA PHE 26 HA PHE 26 12.586 7.318 7.474
204 HB2 PHE 26 1HB PHE 26 14.268 5.541 7.328
205 HB3 PHE 26 2HB PHE 26 13.344 5.222 8.782
206 HD1 PHE 26 2HD PHE 26 11.017 4.356 6.537
207 HD2 PHE 26 1HD PHE 26 14.873 3.064 7.748
208 HE1 PHE 26 2HE PHE 26 10.504 2.044 5.705
209 HE2 PHE 26 1HE PHE 26 14.360 0.752 6.916
210 HZ PHE 26 HZ PHE 26 12.182 0.270 5.904
211 H ILE 27 H ILE 27 13.980 6.014 5.357
212 HA ILE 27 HA ILE 27 11.863 5.688 3.352
213 HB ILE 27 HB ILE 27 13.031 7.065 1.810
214 HG12 ILE 27 1HG1 ILE 27 15.087 8.370 3.093
215 HG13 ILE 27 2HG1 ILE 27 15.273 6.733 3.690
216 HG21 ILE 27 1HG2 ILE 27 11.544 8.105 3.592
217 HG22 ILE 27 2HG2 ILE 27 13.044 8.626 4.396
218 HG23 ILE 27 3HG2 ILE 27 12.672 9.196 2.751
219 HD11 ILE 27 3HD1 ILE 27 15.454 7.759 0.861
220 HD12 ILE 27 1HD1 ILE 27 16.503 6.600 1.714
221 HD13 ILE 27 2HD1 ILE 27 14.904 6.086 1.124
222 H VAL 28 H VAL 28 12.007 3.470 3.139
223 HA VAL 28 HA VAL 28 14.216 2.492 1.676
224 HB VAL 28 HB VAL 28 14.116 2.037 4.619
225 HG11 VAL 28 1HG1 VAL 28 15.611 -0.069 4.043
226 HG12 VAL 28 2HG1 VAL 28 13.842 -0.205 4.175
227 HG13 VAL 28 3HG1 VAL 28 14.609 -0.098 2.573
228 HG21 VAL 28 3HG2 VAL 28 16.698 1.671 3.732
229 HG22 VAL 28 1HG2 VAL 28 16.053 2.845 2.560
230 HG23 VAL 28 2HG2 VAL 28 16.008 3.209 4.302
231 H VAL 29 H VAL 29 11.727 1.353 4.076
232 HA VAL 29 HA VAL 29 10.644 -0.299 1.898
233 HB VAL 29 HB VAL 29 11.825 -1.230 4.146
234 HG11 VAL 29 1HG1 VAL 29 8.859 -1.116 4.792
235 HG12 VAL 29 2HG1 VAL 29 10.113 -1.966 5.727
236 HG13 VAL 29 3HG1 VAL 29 10.137 -0.189 5.615
237 HG21 VAL 29 3HG2 VAL 29 10.042 -3.223 3.719
238 HG22 VAL 29 1HG2 VAL 29 9.814 -2.276 2.230
239 HG23 VAL 29 2HG2 VAL 29 11.430 -2.891 2.655
240 H ALA 30 H ALA 30 10.217 2.432 3.823
241 HA ALA 30 HA ALA 30 7.460 2.132 4.446
242 HB1 ALA 30 1HB ALA 30 8.268 4.884 4.257
243 HB2 ALA 30 2HB ALA 30 7.989 3.905 5.717
244 HB3 ALA 30 3HB ALA 30 9.604 3.950 4.971
245 H LEU 31 H LEU 31 8.827 4.768 2.399
246 HA LEU 31 HA LEU 31 6.551 5.142 0.924
247 HB2 LEU 31 1HB LEU 31 9.335 5.959 0.842
248 HB3 LEU 31 2HB LEU 31 8.671 5.788 -0.771
249 HG LEU 31 HG LEU 31 8.308 8.027 -0.236
250 HD11 LEU 31 1HD1 LEU 31 5.646 7.002 0.689
251 HD12 LEU 31 2HD1 LEU 31 6.034 8.299 -0.467
252 HD13 LEU 31 3HD1 LEU 31 6.233 6.595 -0.941
253 HD21 LEU 31 3HD2 LEU 31 8.789 8.376 1.969
254 HD22 LEU 31 1HD2 LEU 31 7.018 8.541 2.018
255 HD23 LEU 31 2HD2 LEU 31 7.784 7.017 2.526
256 H GLY 32 H GLY 32 9.483 3.213 -0.029
257 HA2 GLY 32 1HA GLY 32 8.025 2.065 -2.261
258 HA3 GLY 32 2HA GLY 32 9.703 1.808 -1.827
Start of MODEL 6
1 H1 TYR 1 H TYR 1 -5.481 -7.488 -17.140
2 HA TYR 1 HA TYR 1 -4.269 -6.928 -14.532
3 HB2 TYR 1 1HB TYR 1 -6.804 -7.554 -14.508
4 HB3 TYR 1 2HB TYR 1 -6.352 -9.090 -15.220
5 HD1 TYR 1 2HD TYR 1 -6.270 -7.042 -12.167
6 HD2 TYR 1 1HD TYR 1 -5.212 -10.806 -13.904
7 HE1 TYR 1 2HE TYR 1 -5.869 -8.008 -9.849
8 HE2 TYR 1 1HE TYR 1 -4.814 -11.759 -11.580
9 HH TYR 1 HH TYR 1 -5.662 -9.935 -8.716
10 H ALA 2 H ALA 2 -2.235 -7.738 -14.657
11 HA ALA 2 HA ALA 2 -1.900 -10.233 -16.174
12 HB1 ALA 2 1HB ALA 2 -0.670 -8.391 -17.160
13 HB2 ALA 2 2HB ALA 2 0.016 -7.945 -15.579
14 HB3 ALA 2 3HB ALA 2 0.492 -9.474 -16.357
15 H PHE 3 H PHE 3 -0.668 -8.375 -13.301
16 HA PHE 3 HA PHE 3 -0.577 -10.922 -11.877
17 HB2 PHE 3 1HB PHE 3 1.666 -10.052 -10.935
18 HB3 PHE 3 2HB PHE 3 1.722 -10.513 -12.625
19 HD1 PHE 3 2HD PHE 3 1.448 -8.639 -14.366
20 HD2 PHE 3 1HD PHE 3 2.314 -7.906 -10.277
21 HE1 PHE 3 2HE PHE 3 2.314 -6.359 -14.958
22 HE2 PHE 3 1HE PHE 3 3.180 -5.626 -10.870
23 HZ PHE 3 HZ PHE 3 3.170 -4.880 -13.203
24 H ALA 4 H ALA 4 -0.161 -7.320 -11.661
25 HA ALA 4 HA ALA 4 -2.200 -6.994 -9.806
26 HB1 ALA 4 1HB ALA 4 -1.225 -7.062 -7.727
27 HB2 ALA 4 2HB ALA 4 -0.212 -8.286 -8.530
28 HB3 ALA 4 3HB ALA 4 0.384 -6.618 -8.346
29 H CYS 5 H CYS 5 -1.553 -5.748 -12.168
30 HA CYS 5 HA CYS 5 0.101 -3.488 -11.738
31 HB2 CYS 5 1HB CYS 5 -1.409 -4.659 -13.947
32 HB3 CYS 5 2HB CYS 5 -1.556 -2.914 -13.915
33 HG CYS 5 HG CYS 5 0.899 -2.303 -13.948
34 HA PRO 6 HA PRO 6 -4.167 -1.458 -11.220
35 HB2 PRO 6 1HB PRO 6 -6.415 -3.005 -11.076
36 HB3 PRO 6 2HB PRO 6 -5.864 -2.250 -12.559
37 HG2 PRO 6 1HG PRO 6 -5.690 -5.088 -11.748
38 HG3 PRO 6 2HG PRO 6 -5.546 -4.393 -13.350
39 HD2 PRO 6 1HD PRO 6 -3.405 -5.332 -11.688
40 HD3 PRO 6 2HD PRO 6 -3.254 -4.532 -13.240
41 H ALA 7 H ALA 7 -5.722 -4.152 -9.700
42 HA ALA 7 HA ALA 7 -6.313 -4.361 -7.554
43 HB1 ALA 7 1HB ALA 7 -3.321 -4.010 -7.129
44 HB2 ALA 7 2HB ALA 7 -4.449 -4.970 -6.141
45 HB3 ALA 7 3HB ALA 7 -4.065 -5.481 -7.802
46 H CYS 8 H CYS 8 -5.048 -3.336 -5.147
47 HA CYS 8 HA CYS 8 -5.177 -1.615 -3.794
48 HB2 CYS 8 1HB CYS 8 -4.467 -0.007 -6.267
49 HB3 CYS 8 2HB CYS 8 -4.514 0.655 -4.645
50 HG CYS 8 HG CYS 8 -2.836 -2.050 -5.559
51 HA PRO 9 HA PRO 9 -9.444 -0.779 -4.926
52 HB2 PRO 9 1HB PRO 9 -10.550 -1.428 -2.513
53 HB3 PRO 9 2HB PRO 9 -10.352 -2.581 -3.818
54 HG2 PRO 9 1HG PRO 9 -8.787 -2.318 -1.324
55 HG3 PRO 9 2HG PRO 9 -8.892 -3.685 -2.415
56 HD2 PRO 9 1HD PRO 9 -6.728 -1.813 -2.212
57 HD3 PRO 9 2HD PRO 9 -6.886 -3.110 -3.380
58 H LYS 10 H LYS 10 -11.236 0.301 -3.095
59 HA LYS 10 HA LYS 10 -9.869 2.856 -2.681
60 HB2 LYS 10 1HB LYS 10 -12.004 2.530 -4.156
61 HB3 LYS 10 2HB LYS 10 -12.853 2.475 -2.624
62 HG2 LYS 10 1HG LYS 10 -12.440 4.704 -2.146
63 HG3 LYS 10 2HG LYS 10 -10.866 4.694 -2.916
64 HD2 LYS 10 1HD LYS 10 -12.972 4.233 -4.896
65 HD3 LYS 10 2HD LYS 10 -13.295 5.700 -3.993
66 HE2 LYS 10 1HE LYS 10 -11.562 6.817 -4.973
67 HE3 LYS 10 2HE LYS 10 -10.450 5.487 -4.719
68 HZ1 LYS 10 3HZ LYS 10 -10.993 4.565 -6.705
69 HZ2 LYS 10 1HZ LYS 10 -12.498 5.197 -6.757
70 HZ3 LYS 10 2HZ LYS 10 -11.205 6.139 -7.085
71 H ARG 11 H ARG 11 -10.351 0.088 -1.017
72 HA ARG 11 HA ARG 11 -11.166 1.481 1.397
73 HB2 ARG 11 1HB ARG 11 -10.924 -1.532 0.920
74 HB3 ARG 11 2HB ARG 11 -11.625 -0.767 2.332
75 HG2 ARG 11 1HG ARG 11 -13.573 -1.158 1.137
76 HG3 ARG 11 2HG ARG 11 -13.183 0.428 0.502
77 HD2 ARG 11 1HD ARG 11 -13.746 -1.294 -1.279
78 HD3 ARG 11 2HD ARG 11 -12.195 -0.511 -1.506
79 HE ARG 11 HE ARG 11 -11.095 -2.541 -1.007
80 HH11 ARG 11 2HH2 ARG 11 -14.528 -2.807 -0.283
81 HH12 ARG 11 1HH2 ARG 11 -14.479 -4.525 -0.064
82 HH21 ARG 11 2HH1 ARG 11 -11.030 -4.807 -0.718
83 HH22 ARG 11 1HH1 ARG 11 -12.476 -5.670 -0.313
84 H PHE 12 H PHE 12 -8.598 -0.446 -0.176
85 HA PHE 12 HA PHE 12 -7.045 -0.833 2.148
86 HB2 PHE 12 1HB PHE 12 -7.063 -1.964 -0.248
87 HB3 PHE 12 2HB PHE 12 -6.103 -0.592 -0.761
88 HD1 PHE 12 1HD PHE 12 -5.917 -2.475 2.444
89 HD2 PHE 12 2HD PHE 12 -4.014 -1.511 -1.224
90 HE1 PHE 12 1HE PHE 12 -3.835 -3.644 3.217
91 HE2 PHE 12 2HE PHE 12 -1.931 -2.679 -0.451
92 HZ PHE 12 HZ PHE 12 -1.866 -3.731 1.761
93 H MET 13 H MET 13 -7.108 1.660 -0.460
94 HA MET 13 HA MET 13 -4.789 2.932 0.049
95 HB2 MET 13 1HB MET 13 -6.300 5.061 -0.567
96 HB3 MET 13 2HB MET 13 -6.024 3.807 -1.760
97 HG2 MET 13 1HG MET 13 -8.195 2.966 -1.596
98 HG3 MET 13 2HG MET 13 -8.360 3.408 0.092
99 HE1 MET 13 3HE MET 13 -9.589 5.819 0.841
100 HE2 MET 13 1HE MET 13 -7.820 5.955 0.688
101 HE3 MET 13 2HE MET 13 -8.872 7.215 0.000
102 H ARG 14 H ARG 14 -7.590 2.696 2.136
103 HA ARG 14 HA ARG 14 -7.011 5.049 3.593
104 HB2 ARG 14 1HB ARG 14 -8.761 2.625 4.249
105 HB3 ARG 14 2HB ARG 14 -8.712 4.082 5.221
106 HG2 ARG 14 1HG ARG 14 -9.521 3.943 2.277
107 HG3 ARG 14 2HG ARG 14 -10.626 4.111 3.627
108 HD2 ARG 14 1HD ARG 14 -9.202 6.243 4.239
109 HD3 ARG 14 2HD ARG 14 -8.598 6.128 2.598
110 HE ARG 14 HE ARG 14 -11.436 5.924 2.479
111 HH11 ARG 14 2HH2 ARG 14 -8.976 8.299 3.310
112 HH12 ARG 14 1HH2 ARG 14 -9.958 9.658 2.875
113 HH21 ARG 14 2HH1 ARG 14 -12.732 7.717 1.904
114 HH22 ARG 14 1HH1 ARG 14 -12.109 9.324 2.070
115 H SER 15 H SER 15 -6.629 1.477 4.140
116 HA SER 15 HA SER 15 -5.178 1.979 6.551
117 HB2 SER 15 1HB SER 15 -6.298 -0.388 5.125
118 HB3 SER 15 2HB SER 15 -4.842 -0.704 6.048
119 HG SER 15 HG SER 15 -6.112 0.618 7.803
120 H ASP 16 H ASP 16 -4.333 2.607 3.519
121 HA ASP 16 HA ASP 16 -1.810 1.186 3.576
122 HB2 ASP 16 1HB ASP 16 -3.548 2.373 1.505
123 HB3 ASP 16 2HB ASP 16 -1.870 2.832 1.295
124 H ALA 17 H ALA 17 -3.347 4.253 4.240
125 HA ALA 17 HA ALA 17 -0.942 5.813 3.864
126 HB1 ALA 17 1HB ALA 17 -2.528 7.369 3.524
127 HB2 ALA 17 2HB ALA 17 -3.797 6.264 4.104
128 HB3 ALA 17 3HB ALA 17 -2.912 7.288 5.260
129 H LEU 18 H LEU 18 -0.806 3.521 5.702
130 HA LEU 18 HA LEU 18 0.431 4.826 7.858
131 HB2 LEU 18 1HB LEU 18 -0.979 4.451 9.656
132 HB3 LEU 18 2HB LEU 18 -2.013 5.141 8.421
133 HG LEU 18 HG LEU 18 -3.379 3.478 9.147
134 HD11 LEU 18 1HD1 LEU 18 -2.723 3.089 6.713
135 HD12 LEU 18 2HD1 LEU 18 -1.750 1.723 7.308
136 HD13 LEU 18 3HD1 LEU 18 -3.511 1.741 7.568
137 HD21 LEU 18 3HD2 LEU 18 -1.076 2.553 10.452
138 HD22 LEU 18 1HD2 LEU 18 -2.751 1.993 10.672
139 HD23 LEU 18 2HD2 LEU 18 -1.682 1.167 9.513
140 H SER 19 H SER 19 0.934 2.860 5.740
141 HA SER 19 HA SER 19 1.795 0.728 7.504
142 HB2 SER 19 1HB SER 19 -0.127 0.484 5.288
143 HB3 SER 19 2HB SER 19 1.250 -0.578 5.076
144 HG SER 19 HG SER 19 -0.674 -0.516 7.206
145 H LYS 20 H LYS 20 2.774 3.224 5.792
146 HA LYS 20 HA LYS 20 4.818 1.783 4.262
147 HB2 LYS 20 1HB LYS 20 4.189 4.724 4.023
148 HB3 LYS 20 2HB LYS 20 5.026 3.687 2.886
149 HG2 LYS 20 1HG LYS 20 3.073 3.132 1.879
150 HG3 LYS 20 2HG LYS 20 2.415 2.547 3.394
151 HD2 LYS 20 1HD LYS 20 1.128 4.470 2.268
152 HD3 LYS 20 2HD LYS 20 1.501 4.682 3.967
153 HE2 LYS 20 1HE LYS 20 3.104 6.334 3.563
154 HE3 LYS 20 2HE LYS 20 3.534 5.691 1.990
155 HZ1 LYS 20 3HZ LYS 20 2.256 7.320 1.240
156 HZ2 LYS 20 1HZ LYS 20 0.973 6.403 1.663
157 HZ3 LYS 20 2HZ LYS 20 1.509 7.571 2.670
158 H HIS 21 H HIS 21 4.193 3.404 7.213
159 HA HIS 21 HA HIS 21 7.074 3.832 7.537
160 HB2 HIS 21 1HB HIS 21 5.815 5.481 9.397
161 HB3 HIS 21 2HB HIS 21 6.655 5.974 7.940
162 HD1 HIS 21 1HD HIS 21 3.212 5.531 9.377
163 HD2 HIS 21 2HD HIS 21 4.982 6.710 5.762
164 HE1 HIS 21 1HE HIS 21 1.356 6.594 7.986
165 HE2 HIS 21 2HE HIS 21 2.515 7.347 5.799
166 H ILE 22 H ILE 22 4.505 1.865 8.254
167 HA ILE 22 HA ILE 22 5.306 1.482 11.040
168 HB ILE 22 HB ILE 22 3.244 0.664 11.460
169 HG12 ILE 22 1HG1 ILE 22 3.096 -0.307 8.593
170 HG13 ILE 22 2HG1 ILE 22 3.376 -1.281 10.023
171 HG21 ILE 22 1HG2 ILE 22 3.115 2.981 10.409
172 HG22 ILE 22 2HG2 ILE 22 2.480 2.170 8.957
173 HG23 ILE 22 3HG2 ILE 22 1.602 2.048 10.501
174 HD11 ILE 22 3HD1 ILE 22 1.132 -1.570 10.149
175 HD12 ILE 22 1HD1 ILE 22 1.011 0.144 10.612
176 HD13 ILE 22 2HD1 ILE 22 0.847 -0.331 8.904
177 H LYS 23 H LYS 23 4.949 -0.205 7.869
178 HA LYS 23 HA LYS 23 6.113 -2.602 8.938
179 HB2 LYS 23 1HB LYS 23 5.034 -1.715 6.281
180 HB3 LYS 23 2HB LYS 23 6.072 -3.125 6.353
181 HG2 LYS 23 1HG LYS 23 3.493 -2.708 7.937
182 HG3 LYS 23 2HG LYS 23 3.705 -3.794 6.578
183 HD2 LYS 23 1HD LYS 23 5.761 -4.598 8.269
184 HD3 LYS 23 2HD LYS 23 4.518 -4.137 9.415
185 HE2 LYS 23 1HE LYS 23 4.016 -6.408 8.987
186 HE3 LYS 23 2HE LYS 23 2.892 -5.562 7.943
187 HZ1 LYS 23 3HZ LYS 23 5.523 -6.475 7.022
188 HZ2 LYS 23 1HZ LYS 23 4.170 -7.378 6.883
189 HZ3 LYS 23 2HZ LYS 23 4.280 -5.947 6.105
190 H THR 24 H THR 24 7.382 0.380 8.384
191 HA THR 24 HA THR 24 10.033 -0.562 8.338
192 HB THR 24 HB THR 24 9.556 -1.059 5.965
193 HG1 THR 24 1HG THR 24 11.622 -0.170 6.166
194 HG21 THR 24 3HG2 THR 24 8.227 0.288 4.686
195 HG22 THR 24 1HG2 THR 24 7.965 1.332 6.103
196 HG23 THR 24 2HG2 THR 24 9.313 1.665 4.989
197 H ALA 25 H ALA 25 10.374 2.130 6.542
198 HA ALA 25 HA ALA 25 9.432 4.269 7.888
199 HB1 ALA 25 1HB ALA 25 11.676 2.922 9.379
200 HB2 ALA 25 2HB ALA 25 11.568 4.699 9.386
201 HB3 ALA 25 3HB ALA 25 10.216 3.723 10.009
202 H PHE 26 H PHE 26 9.965 3.899 5.309
203 HA PHE 26 HA PHE 26 11.677 5.977 4.664
204 HB2 PHE 26 1HB PHE 26 13.571 4.689 3.693
205 HB3 PHE 26 2HB PHE 26 13.406 4.255 5.383
206 HD1 PHE 26 2HD PHE 26 10.691 2.706 4.075
207 HD2 PHE 26 1HD PHE 26 14.923 2.445 3.895
208 HE1 PHE 26 2HE PHE 26 10.514 0.285 3.437
209 HE2 PHE 26 1HE PHE 26 14.746 0.024 3.256
210 HZ PHE 26 HZ PHE 26 12.544 -1.027 3.035
211 H ILE 27 H ILE 27 12.596 4.960 2.081
212 HA ILE 27 HA ILE 27 10.068 4.154 0.846
213 HB ILE 27 HB ILE 27 10.284 5.809 -0.868
214 HG12 ILE 27 1HG1 ILE 27 12.223 7.625 0.042
215 HG13 ILE 27 2HG1 ILE 27 12.995 6.055 0.144
216 HG21 ILE 27 1HG2 ILE 27 10.208 7.932 0.673
217 HG22 ILE 27 2HG2 ILE 27 8.944 6.683 0.782
218 HG23 ILE 27 3HG2 ILE 27 10.256 6.728 1.983
219 HD11 ILE 27 3HD1 ILE 27 11.727 7.352 -2.298
220 HD12 ILE 27 1HD1 ILE 27 13.413 6.822 -2.084
221 HD13 ILE 27 2HD1 ILE 27 12.114 5.616 -2.245
222 H VAL 28 H VAL 28 10.964 2.021 0.711
223 HA VAL 28 HA VAL 28 12.628 1.712 -1.605
224 HB VAL 28 HB VAL 28 13.623 1.135 1.170
225 HG11 VAL 28 1HG1 VAL 28 14.594 -0.220 -1.370
226 HG12 VAL 28 2HG1 VAL 28 15.347 -0.341 0.238
227 HG13 VAL 28 3HG1 VAL 28 13.718 -1.006 -0.035
228 HG21 VAL 28 3HG2 VAL 28 14.447 3.182 0.334
229 HG22 VAL 28 1HG2 VAL 28 15.763 2.014 0.063
230 HG23 VAL 28 2HG2 VAL 28 14.719 2.509 -1.292
231 H VAL 29 H VAL 29 11.407 0.011 1.369
232 HA VAL 29 HA VAL 29 10.274 -1.994 -0.458
233 HB VAL 29 HB VAL 29 12.215 -2.442 1.348
234 HG11 VAL 29 1HG1 VAL 29 10.573 -1.701 3.175
235 HG12 VAL 29 2HG1 VAL 29 9.733 -3.243 2.880
236 HG13 VAL 29 3HG1 VAL 29 11.428 -3.242 3.423
237 HG21 VAL 29 3HG2 VAL 29 10.091 -4.550 1.078
238 HG22 VAL 29 1HG2 VAL 29 10.932 -3.959 -0.375
239 HG23 VAL 29 2HG2 VAL 29 11.861 -4.693 0.954
240 H ALA 30 H ALA 30 9.642 0.615 1.612
241 HA ALA 30 HA ALA 30 7.385 -0.320 2.992
242 HB1 ALA 30 1HB ALA 30 7.300 1.825 3.775
243 HB2 ALA 30 2HB ALA 30 8.923 1.918 3.049
244 HB3 ALA 30 3HB ALA 30 7.512 2.536 2.157
245 H LEU 31 H LEU 31 5.641 -1.224 2.008
246 HA LEU 31 HA LEU 31 4.976 -0.967 -0.632
247 HB2 LEU 31 1HB LEU 31 2.886 -1.949 -0.060
248 HB3 LEU 31 2HB LEU 31 4.145 -2.677 0.917
249 HG LEU 31 HG LEU 31 3.023 -0.474 2.376
250 HD11 LEU 31 1HD1 LEU 31 0.853 -2.459 1.914
251 HD12 LEU 31 2HD1 LEU 31 0.767 -0.736 2.355
252 HD13 LEU 31 3HD1 LEU 31 1.106 -1.208 0.672
253 HD21 LEU 31 3HD2 LEU 31 2.756 -3.447 2.881
254 HD22 LEU 31 1HD2 LEU 31 4.204 -2.485 3.264
255 HD23 LEU 31 2HD2 LEU 31 2.658 -2.128 4.072
256 H GLY 32 H GLY 32 2.564 -0.058 -1.226
257 HA2 GLY 32 1HA GLY 32 1.096 1.790 -0.943
258 HA3 GLY 32 2HA GLY 32 2.398 2.707 -0.213
Start of MODEL 7
1 H1 TYR 1 H TYR 1 -1.857 -1.062 -14.462
2 HA TYR 1 HA TYR 1 -3.595 -3.131 -14.637
3 HB2 TYR 1 1HB TYR 1 -3.145 -2.009 -12.527
4 HB3 TYR 1 2HB TYR 1 -3.527 -0.434 -13.194
5 HD1 TYR 1 2HD TYR 1 -5.955 0.142 -13.676
6 HD2 TYR 1 1HD TYR 1 -4.808 -3.329 -11.453
7 HE1 TYR 1 2HE TYR 1 -8.306 -0.034 -12.724
8 HE2 TYR 1 1HE TYR 1 -7.162 -3.493 -10.509
9 HH TYR 1 HH TYR 1 -9.045 -2.220 -10.142
10 H ALA 2 H ALA 2 -5.974 -3.253 -14.780
11 HA ALA 2 HA ALA 2 -7.132 -1.111 -16.409
12 HB1 ALA 2 1HB ALA 2 -7.932 -2.624 -18.035
13 HB2 ALA 2 2HB ALA 2 -6.259 -3.156 -17.745
14 HB3 ALA 2 3HB ALA 2 -7.615 -4.041 -17.005
15 H PHE 3 H PHE 3 -7.807 -4.254 -14.705
16 HA PHE 3 HA PHE 3 -9.983 -2.872 -13.331
17 HB2 PHE 3 1HB PHE 3 -11.486 -4.723 -13.879
18 HB3 PHE 3 2HB PHE 3 -10.734 -4.252 -15.390
19 HD1 PHE 3 2HD PHE 3 -8.785 -5.622 -16.249
20 HD2 PHE 3 1HD PHE 3 -11.241 -6.912 -13.038
21 HE1 PHE 3 2HE PHE 3 -7.992 -7.979 -16.590
22 HE2 PHE 3 1HE PHE 3 -10.448 -9.269 -13.379
23 HZ PHE 3 HZ PHE 3 -8.833 -9.774 -15.151
24 H ALA 4 H ALA 4 -7.932 -5.842 -13.620
25 HA ALA 4 HA ALA 4 -7.116 -5.736 -10.957
26 HB1 ALA 4 1HB ALA 4 -9.089 -7.988 -11.374
27 HB2 ALA 4 2HB ALA 4 -8.443 -7.326 -9.853
28 HB3 ALA 4 3HB ALA 4 -9.640 -6.399 -10.790
29 H CYS 5 H CYS 5 -5.890 -5.973 -13.480
30 HA CYS 5 HA CYS 5 -5.435 -8.619 -14.235
31 HB2 CYS 5 1HB CYS 5 -4.400 -5.976 -14.926
32 HB3 CYS 5 2HB CYS 5 -3.138 -7.192 -14.948
33 HG CYS 5 HG CYS 5 -6.028 -8.115 -16.095
34 HA PRO 6 HA PRO 6 -1.686 -8.220 -11.336
35 HB2 PRO 6 1HB PRO 6 -1.439 -6.042 -9.704
36 HB3 PRO 6 2HB PRO 6 -0.644 -6.169 -11.261
37 HG2 PRO 6 1HG PRO 6 -3.016 -4.569 -10.515
38 HG3 PRO 6 2HG PRO 6 -1.966 -4.393 -11.908
39 HD2 PRO 6 1HD PRO 6 -4.588 -5.555 -11.871
40 HD3 PRO 6 2HD PRO 6 -3.493 -5.483 -13.237
41 H ALA 7 H ALA 7 -3.445 -6.192 -9.098
42 HA ALA 7 HA ALA 7 -5.144 -7.952 -7.975
43 HB1 ALA 7 1HB ALA 7 -2.306 -8.596 -7.288
44 HB2 ALA 7 2HB ALA 7 -3.491 -8.642 -5.961
45 HB3 ALA 7 3HB ALA 7 -3.726 -9.664 -7.399
46 H CYS 8 H CYS 8 -2.357 -5.802 -7.132
47 HA CYS 8 HA CYS 8 -3.139 -4.750 -4.817
48 HB2 CYS 8 1HB CYS 8 -1.579 -3.794 -7.097
49 HB3 CYS 8 2HB CYS 8 -2.351 -2.478 -6.236
50 HG CYS 8 HG CYS 8 -1.654 -3.530 -3.801
51 HA PRO 9 HA PRO 9 -7.146 -3.286 -6.096
52 HB2 PRO 9 1HB PRO 9 -8.303 -3.332 -3.621
53 HB3 PRO 9 2HB PRO 9 -8.307 -4.708 -4.706
54 HG2 PRO 9 1HG PRO 9 -6.682 -4.268 -2.276
55 HG3 PRO 9 2HG PRO 9 -7.014 -5.769 -3.118
56 HD2 PRO 9 1HD PRO 9 -4.583 -4.250 -3.213
57 HD3 PRO 9 2HD PRO 9 -4.958 -5.687 -4.143
58 H LYS 10 H LYS 10 -8.720 -1.643 -4.495
59 HA LYS 10 HA LYS 10 -6.902 0.659 -4.322
60 HB2 LYS 10 1HB LYS 10 -8.763 2.062 -4.973
61 HB3 LYS 10 2HB LYS 10 -8.513 0.813 -6.175
62 HG2 LYS 10 1HG LYS 10 -10.521 -0.223 -5.724
63 HG3 LYS 10 2HG LYS 10 -10.402 0.058 -3.998
64 HD2 LYS 10 1HD LYS 10 -11.078 2.411 -4.283
65 HD3 LYS 10 2HD LYS 10 -11.055 2.245 -6.027
66 HE2 LYS 10 1HE LYS 10 -13.013 0.940 -6.075
67 HE3 LYS 10 2HE LYS 10 -12.788 0.345 -4.442
68 HZ1 LYS 10 3HZ LYS 10 -13.843 2.096 -3.615
69 HZ2 LYS 10 1HZ LYS 10 -13.111 3.176 -4.598
70 HZ3 LYS 10 2HZ LYS 10 -14.414 2.344 -5.124
71 H ARG 11 H ARG 11 -8.401 -1.641 -2.482
72 HA ARG 11 HA ARG 11 -9.164 0.284 -0.448
73 HB2 ARG 11 1HB ARG 11 -9.675 -2.726 -0.403
74 HB3 ARG 11 2HB ARG 11 -10.461 -1.504 0.577
75 HG2 ARG 11 1HG ARG 11 -12.103 -1.634 -1.021
76 HG3 ARG 11 2HG ARG 11 -11.064 -0.534 -1.906
77 HD2 ARG 11 1HD ARG 11 -11.816 -2.549 -3.253
78 HD3 ARG 11 2HD ARG 11 -10.076 -2.349 -3.186
79 HE ARG 11 HE ARG 11 -9.900 -4.296 -1.865
80 HH11 ARG 11 2HH2 ARG 11 -13.272 -3.333 -2.161
81 HH12 ARG 11 1HH2 ARG 11 -13.885 -4.805 -1.485
82 HH21 ARG 11 2HH1 ARG 11 -10.708 -6.238 -0.973
83 HH22 ARG 11 1HH1 ARG 11 -12.417 -6.469 -0.805
84 H PHE 12 H PHE 12 -7.081 -2.541 -1.204
85 HA PHE 12 HA PHE 12 -6.067 -2.844 1.412
86 HB2 PHE 12 1HB PHE 12 -6.037 -4.580 -0.411
87 HB3 PHE 12 2HB PHE 12 -5.032 -3.541 -1.401
88 HD1 PHE 12 2HD PHE 12 -5.072 -5.481 1.755
89 HD2 PHE 12 1HD PHE 12 -2.687 -3.576 -1.192
90 HE1 PHE 12 2HE PHE 12 -3.016 -6.529 2.742
91 HE2 PHE 12 1HE PHE 12 -0.631 -4.624 -0.206
92 HZ PHE 12 HZ PHE 12 -0.820 -6.088 1.750
93 H MET 13 H MET 13 -4.967 -1.068 -1.534
94 HA MET 13 HA MET 13 -2.472 -0.401 -0.766
95 HB2 MET 13 1HB MET 13 -3.131 1.864 -2.044
96 HB3 MET 13 2HB MET 13 -3.080 0.346 -2.919
97 HG2 MET 13 1HG MET 13 -5.401 0.193 -3.088
98 HG3 MET 13 2HG MET 13 -5.680 1.024 -1.570
99 HE1 MET 13 3HE MET 13 -5.237 3.175 -1.062
100 HE2 MET 13 1HE MET 13 -4.775 4.523 -2.128
101 HE3 MET 13 2HE MET 13 -6.490 4.085 -1.940
102 H ARG 14 H ARG 14 -5.500 0.639 0.664
103 HA ARG 14 HA ARG 14 -4.416 2.991 1.808
104 HB2 ARG 14 1HB ARG 14 -6.924 1.469 2.669
105 HB3 ARG 14 2HB ARG 14 -6.575 3.160 2.964
106 HG2 ARG 14 1HG ARG 14 -6.783 3.719 0.621
107 HG3 ARG 14 2HG ARG 14 -6.748 2.034 0.139
108 HD2 ARG 14 1HD ARG 14 -8.941 1.619 1.115
109 HD3 ARG 14 2HD ARG 14 -8.949 3.175 1.919
110 HE ARG 14 HE ARG 14 -9.688 2.669 -0.831
111 HH11 ARG 14 2HH2 ARG 14 -8.176 5.078 1.241
112 HH12 ARG 14 1HH2 ARG 14 -8.597 6.409 0.216
113 HH21 ARG 14 2HH1 ARG 14 -10.244 4.425 -2.183
114 HH22 ARG 14 1HH1 ARG 14 -9.781 6.035 -1.745
115 H SER 15 H SER 15 -5.326 -0.324 2.976
116 HA SER 15 HA SER 15 -4.602 0.117 5.612
117 HB2 SER 15 1HB SER 15 -4.815 -2.402 3.922
118 HB3 SER 15 2HB SER 15 -4.402 -2.469 5.623
119 HG SER 15 HG SER 15 -6.416 -1.779 6.204
120 H ASP 16 H ASP 16 -2.690 -0.028 2.778
121 HA ASP 16 HA ASP 16 -0.379 -0.899 4.320
122 HB2 ASP 16 1HB ASP 16 -1.219 -1.159 1.480
123 HB3 ASP 16 2HB ASP 16 0.456 -0.684 1.673
124 H ALA 17 H ALA 17 -2.024 1.750 2.733
125 HA ALA 17 HA ALA 17 0.379 3.332 2.399
126 HB1 ALA 17 1HB ALA 17 -1.375 5.047 1.650
127 HB2 ALA 17 2HB ALA 17 -1.243 3.568 0.669
128 HB3 ALA 17 3HB ALA 17 -2.575 3.746 1.836
129 H LEU 18 H LEU 18 -0.491 2.300 5.103
130 HA LEU 18 HA LEU 18 -0.058 4.716 6.506
131 HB2 LEU 18 1HB LEU 18 -2.065 5.221 7.419
132 HB3 LEU 18 2HB LEU 18 -2.577 4.690 5.829
133 HG LEU 18 HG LEU 18 -4.098 3.558 7.070
134 HD11 LEU 18 1HD1 LEU 18 -3.679 1.345 6.854
135 HD12 LEU 18 2HD1 LEU 18 -2.234 1.946 6.005
136 HD13 LEU 18 3HD1 LEU 18 -2.119 1.437 7.707
137 HD21 LEU 18 3HD2 LEU 18 -2.353 4.232 9.228
138 HD22 LEU 18 1HD2 LEU 18 -4.073 3.774 9.275
139 HD23 LEU 18 2HD2 LEU 18 -2.814 2.520 9.384
140 H SER 19 H SER 19 1.065 2.010 6.091
141 HA SER 19 HA SER 19 1.167 1.326 8.894
142 HB2 SER 19 1HB SER 19 0.075 -0.413 6.732
143 HB3 SER 19 2HB SER 19 1.225 -1.195 7.798
144 HG SER 19 HG SER 19 -0.779 -1.469 8.767
145 H LYS 20 H LYS 20 2.302 0.309 5.582
146 HA LYS 20 HA LYS 20 4.857 -0.447 6.536
147 HB2 LYS 20 1HB LYS 20 5.390 -0.770 4.189
148 HB3 LYS 20 2HB LYS 20 3.817 -1.449 4.555
149 HG2 LYS 20 1HG LYS 20 3.184 1.177 3.839
150 HG3 LYS 20 2HG LYS 20 4.522 0.807 2.770
151 HD2 LYS 20 1HD LYS 20 1.910 -0.739 3.055
152 HD3 LYS 20 2HD LYS 20 2.473 0.138 1.646
153 HE2 LYS 20 1HE LYS 20 4.565 -1.539 1.861
154 HE3 LYS 20 2HE LYS 20 3.401 -2.526 2.721
155 HZ1 LYS 20 3HZ LYS 20 1.940 -1.935 0.679
156 HZ2 LYS 20 1HZ LYS 20 3.378 -1.690 -0.055
157 HZ3 LYS 20 2HZ LYS 20 3.029 -3.148 0.591
158 H HIS 21 H HIS 21 3.351 2.589 5.983
159 HA HIS 21 HA HIS 21 5.941 3.856 5.524
160 HB2 HIS 21 1HB HIS 21 4.880 5.475 4.379
161 HB3 HIS 21 2HB HIS 21 3.636 4.254 4.200
162 HD1 HIS 21 1HD HIS 21 1.349 5.067 4.760
163 HD2 HIS 21 2HD HIS 21 4.310 7.117 6.911
164 HE1 HIS 21 1HE HIS 21 0.134 6.830 6.148
165 HE2 HIS 21 2HE HIS 21 1.999 8.020 7.489
166 H ILE 22 H ILE 22 3.717 2.999 7.980
167 HA ILE 22 HA ILE 22 4.671 5.197 9.675
168 HB ILE 22 HB ILE 22 2.740 4.946 10.988
169 HG12 ILE 22 1HG1 ILE 22 1.085 3.013 9.933
170 HG13 ILE 22 2HG1 ILE 22 2.655 2.243 9.827
171 HG21 ILE 22 1HG2 ILE 22 1.765 4.598 8.145
172 HG22 ILE 22 2HG2 ILE 22 0.986 5.491 9.473
173 HG23 ILE 22 3HG2 ILE 22 2.502 6.096 8.764
174 HD11 ILE 22 3HD1 ILE 22 1.703 1.727 12.006
175 HD12 ILE 22 1HD1 ILE 22 3.060 2.851 12.255
176 HD13 ILE 22 2HD1 ILE 22 1.385 3.449 12.326
177 H LYS 23 H LYS 23 4.926 1.822 8.940
178 HA LYS 23 HA LYS 23 5.836 1.166 11.619
179 HB2 LYS 23 1HB LYS 23 5.154 -0.397 9.145
180 HB3 LYS 23 2HB LYS 23 6.180 -1.121 10.366
181 HG2 LYS 23 1HG LYS 23 3.466 0.139 10.977
182 HG3 LYS 23 2HG LYS 23 3.690 -1.570 10.662
183 HD2 LYS 23 1HD LYS 23 4.452 -1.951 12.771
184 HD3 LYS 23 2HD LYS 23 5.616 -0.646 12.662
185 HE2 LYS 23 1HE LYS 23 3.508 0.925 12.982
186 HE3 LYS 23 2HE LYS 23 2.730 -0.524 13.587
187 HZ1 LYS 23 3HZ LYS 23 5.356 0.164 14.619
188 HZ2 LYS 23 1HZ LYS 23 4.064 1.004 15.158
189 HZ3 LYS 23 2HZ LYS 23 4.126 -0.615 15.358
190 H THR 24 H THR 24 7.179 3.109 9.595
191 HA THR 24 HA THR 24 9.810 2.524 10.300
192 HB THR 24 HB THR 24 9.407 0.615 8.656
193 HG1 THR 24 1HG THR 24 11.538 1.017 8.157
194 HG21 THR 24 3HG2 THR 24 9.238 1.091 6.300
195 HG22 THR 24 1HG2 THR 24 7.981 2.100 7.057
196 HG23 THR 24 2HG2 THR 24 9.527 2.829 6.558
197 H ALA 25 H ALA 25 10.495 4.542 10.605
198 HA ALA 25 HA ALA 25 9.481 6.599 8.804
199 HB1 ALA 25 1HB ALA 25 11.050 6.771 11.410
200 HB2 ALA 25 2HB ALA 25 10.348 8.143 10.519
201 HB3 ALA 25 3HB ALA 25 9.284 6.918 11.250
202 H PHE 26 H PHE 26 10.817 5.624 7.004
203 HA PHE 26 HA PHE 26 13.219 7.101 6.769
204 HB2 PHE 26 1HB PHE 26 14.761 5.200 6.732
205 HB3 PHE 26 2HB PHE 26 13.830 5.037 8.208
206 HD1 PHE 26 2HD PHE 26 11.431 4.213 6.018
207 HD2 PHE 26 1HD PHE 26 15.184 2.713 7.309
208 HE1 PHE 26 2HE PHE 26 10.744 1.899 5.328
209 HE2 PHE 26 1HE PHE 26 14.497 0.400 6.620
210 HZ PHE 26 HZ PHE 26 12.285 0.020 5.638
211 H ILE 27 H ILE 27 14.461 5.487 4.739
212 HA ILE 27 HA ILE 27 12.289 5.248 2.782
213 HB ILE 27 HB ILE 27 13.163 7.302 2.211
214 HG12 ILE 27 1HG1 ILE 27 15.113 6.157 0.419
215 HG13 ILE 27 2HG1 ILE 27 13.729 5.088 0.540
216 HG21 ILE 27 1HG2 ILE 27 15.700 6.233 3.312
217 HG22 ILE 27 2HG2 ILE 27 15.844 7.393 1.970
218 HG23 ILE 27 3HG2 ILE 27 14.969 7.850 3.451
219 HD11 ILE 27 3HD1 ILE 27 13.793 7.996 -0.325
220 HD12 ILE 27 1HD1 ILE 27 13.117 6.592 -1.185
221 HD13 ILE 27 2HD1 ILE 27 12.281 7.247 0.244
222 H VAL 28 H VAL 28 12.176 3.034 2.650
223 HA VAL 28 HA VAL 28 14.255 1.715 1.282
224 HB VAL 28 HB VAL 28 14.138 1.486 4.247
225 HG11 VAL 28 1HG1 VAL 28 15.212 -0.815 4.044
226 HG12 VAL 28 2HG1 VAL 28 13.457 -0.734 3.762
227 HG13 VAL 28 3HG1 VAL 28 14.574 -0.860 2.383
228 HG21 VAL 28 3HG2 VAL 28 16.166 2.362 3.845
229 HG22 VAL 28 1HG2 VAL 28 16.638 0.717 3.354
230 HG23 VAL 28 2HG2 VAL 28 16.124 1.900 2.126
231 H VAL 29 H VAL 29 11.565 1.192 3.669
232 HA VAL 29 HA VAL 29 10.283 -0.457 1.609
233 HB VAL 29 HB VAL 29 11.313 -1.287 4.140
234 HG11 VAL 29 1HG1 VAL 29 9.396 -2.229 5.231
235 HG12 VAL 29 2HG1 VAL 29 9.076 -0.496 4.982
236 HG13 VAL 29 3HG1 VAL 29 8.316 -1.703 3.918
237 HG21 VAL 29 3HG2 VAL 29 9.558 -3.134 2.634
238 HG22 VAL 29 1HG2 VAL 29 10.862 -2.379 1.685
239 HG23 VAL 29 2HG2 VAL 29 11.253 -3.316 3.147
240 H ALA 30 H ALA 30 10.242 2.409 3.169
241 HA ALA 30 HA ALA 30 7.484 2.389 4.021
242 HB1 ALA 30 1HB ALA 30 8.593 5.025 3.842
243 HB2 ALA 30 2HB ALA 30 8.264 4.059 5.301
244 HB3 ALA 30 3HB ALA 30 9.847 3.944 4.495
245 H LEU 31 H LEU 31 5.931 2.341 2.466
246 HA LEU 31 HA LEU 31 6.356 3.051 -0.181
247 HB2 LEU 31 1HB LEU 31 4.090 2.329 1.547
248 HB3 LEU 31 2HB LEU 31 3.658 3.330 0.175
249 HG LEU 31 HG LEU 31 3.424 0.908 -0.259
250 HD11 LEU 31 1HD1 LEU 31 4.348 2.844 -1.944
251 HD12 LEU 31 2HD1 LEU 31 5.590 1.584 -2.136
252 HD13 LEU 31 3HD1 LEU 31 3.878 1.199 -2.436
253 HD21 LEU 31 3HD2 LEU 31 6.320 0.446 -0.559
254 HD22 LEU 31 1HD2 LEU 31 5.750 0.597 1.121
255 HD23 LEU 31 2HD2 LEU 31 5.034 -0.626 0.044
256 H GLY 32 H GLY 32 4.011 4.827 1.921
257 HA2 GLY 32 1HA GLY 32 4.381 7.230 0.422
258 HA3 GLY 32 2HA GLY 32 3.404 7.003 1.860
Start of MODEL 8
1 H1 TYR 1 H TYR 1 -2.905 -12.193 -14.750
2 HA TYR 1 HA TYR 1 -4.000 -11.526 -12.302
3 HB2 TYR 1 1HB TYR 1 -1.642 -12.330 -12.921
4 HB3 TYR 1 2HB TYR 1 -1.319 -10.755 -13.617
5 HD1 TYR 1 2HD TYR 1 -2.771 -11.965 -10.363
6 HD2 TYR 1 1HD TYR 1 0.107 -9.478 -12.321
7 HE1 TYR 1 2HE TYR 1 -1.946 -11.130 -8.107
8 HE2 TYR 1 1HE TYR 1 0.922 -8.652 -10.059
9 HH TYR 1 HH TYR 1 -0.660 -9.730 -7.070
10 H ALA 2 H ALA 2 -5.116 -9.755 -11.664
11 HA ALA 2 HA ALA 2 -4.210 -7.170 -12.698
12 HB1 ALA 2 1HB ALA 2 -7.142 -7.897 -12.411
13 HB2 ALA 2 2HB ALA 2 -6.427 -6.487 -13.228
14 HB3 ALA 2 3HB ALA 2 -6.255 -8.110 -13.939
15 H PHE 3 H PHE 3 -3.585 -8.574 -10.216
16 HA PHE 3 HA PHE 3 -5.195 -8.007 -8.095
17 HB2 PHE 3 1HB PHE 3 -3.228 -9.234 -7.609
18 HB3 PHE 3 2HB PHE 3 -2.246 -8.265 -8.689
19 HD1 PHE 3 2HD PHE 3 -3.980 -8.111 -5.400
20 HD2 PHE 3 1HD PHE 3 -0.823 -6.637 -7.822
21 HE1 PHE 3 2HE PHE 3 -3.061 -6.851 -3.434
22 HE2 PHE 3 1HE PHE 3 0.097 -5.377 -5.856
23 HZ PHE 3 HZ PHE 3 -1.033 -5.498 -3.686
24 H ALA 4 H ALA 4 -2.361 -5.946 -9.086
25 HA ALA 4 HA ALA 4 -3.934 -3.570 -8.731
26 HB1 ALA 4 1HB ALA 4 -2.791 -2.676 -6.857
27 HB2 ALA 4 2HB ALA 4 -3.175 -4.350 -6.391
28 HB3 ALA 4 3HB ALA 4 -1.529 -3.929 -6.921
29 H CYS 5 H CYS 5 -2.326 -5.112 -10.782
30 HA CYS 5 HA CYS 5 0.128 -3.858 -11.163
31 HB2 CYS 5 1HB CYS 5 -1.613 -5.673 -12.652
32 HB3 CYS 5 2HB CYS 5 -0.791 -4.544 -13.711
33 HG CYS 5 HG CYS 5 0.335 -6.784 -11.599
34 HA PRO 6 HA PRO 6 -2.415 -0.856 -13.836
35 HB2 PRO 6 1HB PRO 6 -5.146 -0.946 -13.774
36 HB3 PRO 6 2HB PRO 6 -4.189 -1.749 -15.002
37 HG2 PRO 6 1HG PRO 6 -5.605 -2.928 -12.690
38 HG3 PRO 6 2HG PRO 6 -5.015 -3.721 -14.137
39 HD2 PRO 6 1HD PRO 6 -3.811 -3.783 -11.534
40 HD3 PRO 6 2HD PRO 6 -3.162 -4.479 -13.006
41 H ALA 7 H ALA 7 -5.210 -0.950 -11.765
42 HA ALA 7 HA ALA 7 -3.998 1.260 -10.252
43 HB1 ALA 7 1HB ALA 7 -5.882 2.567 -10.525
44 HB2 ALA 7 2HB ALA 7 -5.900 1.695 -12.077
45 HB3 ALA 7 3HB ALA 7 -6.956 1.165 -10.746
46 H CYS 8 H CYS 8 -5.988 1.602 -8.343
47 HA CYS 8 HA CYS 8 -6.347 -1.066 -7.216
48 HB2 CYS 8 1HB CYS 8 -4.469 0.858 -6.256
49 HB3 CYS 8 2HB CYS 8 -5.771 0.768 -5.085
50 HG CYS 8 HG CYS 8 -4.712 -1.992 -6.486
51 HA PRO 9 HA PRO 9 -10.230 0.575 -6.116
52 HB2 PRO 9 1HB PRO 9 -10.825 -0.615 -3.728
53 HB3 PRO 9 2HB PRO 9 -10.982 -1.431 -5.271
54 HG2 PRO 9 1HG PRO 9 -8.901 -1.770 -3.198
55 HG3 PRO 9 2HG PRO 9 -9.320 -2.842 -4.520
56 HD2 PRO 9 1HD PRO 9 -7.057 -1.084 -4.387
57 HD3 PRO 9 2HD PRO 9 -7.540 -2.070 -5.753
58 H LYS 10 H LYS 10 -11.532 1.231 -3.763
59 HA LYS 10 HA LYS 10 -9.934 3.583 -3.064
60 HB2 LYS 10 1HB LYS 10 -12.061 4.613 -2.436
61 HB3 LYS 10 2HB LYS 10 -12.079 4.073 -4.103
62 HG2 LYS 10 1HG LYS 10 -13.631 2.397 -3.700
63 HG3 LYS 10 2HG LYS 10 -13.037 2.080 -2.082
64 HD2 LYS 10 1HD LYS 10 -14.994 3.143 -1.482
65 HD3 LYS 10 2HD LYS 10 -13.998 4.575 -1.655
66 HE2 LYS 10 1HE LYS 10 -15.659 5.262 -3.083
67 HE3 LYS 10 2HE LYS 10 -14.810 4.271 -4.253
68 HZ1 LYS 10 3HZ LYS 10 -16.769 2.993 -2.532
69 HZ2 LYS 10 1HZ LYS 10 -17.307 3.903 -3.776
70 HZ3 LYS 10 2HZ LYS 10 -16.336 2.621 -4.062
71 H ARG 11 H ARG 11 -10.012 0.584 -2.023
72 HA ARG 11 HA ARG 11 -10.325 1.371 0.763
73 HB2 ARG 11 1HB ARG 11 -10.502 -1.450 -0.409
74 HB3 ARG 11 2HB ARG 11 -10.807 -1.010 1.259
75 HG2 ARG 11 1HG ARG 11 -12.993 -0.994 0.490
76 HG3 ARG 11 2HG ARG 11 -12.578 0.672 0.138
77 HD2 ARG 11 1HD ARG 11 -13.684 -0.557 -1.793
78 HD3 ARG 11 2HD ARG 11 -12.143 0.172 -2.197
79 HE ARG 11 HE ARG 11 -11.169 -1.978 -2.383
80 HH11 ARG 11 2HH2 ARG 11 -14.424 -2.206 -1.066
81 HH12 ARG 11 1HH2 ARG 11 -14.520 -3.924 -1.261
82 HH21 ARG 11 2HH1 ARG 11 -11.295 -4.245 -2.640
83 HH22 ARG 11 1HH1 ARG 11 -12.728 -5.092 -2.162
84 H PHE 12 H PHE 12 -8.340 -0.242 -1.730
85 HA PHE 12 HA PHE 12 -6.396 -1.264 0.041
86 HB2 PHE 12 1HB PHE 12 -7.031 -1.735 -2.505
87 HB3 PHE 12 2HB PHE 12 -5.999 -0.363 -2.859
88 HD1 PHE 12 1HD PHE 12 -3.568 -0.473 -2.272
89 HD2 PHE 12 2HD PHE 12 -6.108 -3.861 -1.984
90 HE1 PHE 12 1HE PHE 12 -1.559 -1.977 -2.245
91 HE2 PHE 12 2HE PHE 12 -4.098 -5.365 -1.957
92 HZ PHE 12 HZ PHE 12 -1.848 -4.405 -2.088
93 H MET 13 H MET 13 -6.730 1.790 -1.851
94 HA MET 13 HA MET 13 -4.240 2.781 -1.588
95 HB2 MET 13 1HB MET 13 -5.622 5.070 -1.355
96 HB3 MET 13 2HB MET 13 -5.718 4.133 -2.833
97 HG2 MET 13 1HG MET 13 -7.881 3.365 -2.382
98 HG3 MET 13 2HG MET 13 -7.664 3.431 -0.644
99 HE1 MET 13 3HE MET 13 -9.246 4.477 0.322
100 HE2 MET 13 1HE MET 13 -8.310 5.907 0.819
101 HE3 MET 13 2HE MET 13 -9.912 6.108 0.068
102 H ARG 14 H ARG 14 -6.576 2.187 0.953
103 HA ARG 14 HA ARG 14 -5.219 3.987 2.740
104 HB2 ARG 14 1HB ARG 14 -7.536 2.073 3.313
105 HB3 ARG 14 2HB ARG 14 -6.998 3.379 4.350
106 HG2 ARG 14 1HG ARG 14 -7.943 5.030 3.014
107 HG3 ARG 14 2HG ARG 14 -7.693 4.132 1.530
108 HD2 ARG 14 1HD ARG 14 -9.711 3.021 1.696
109 HD3 ARG 14 2HD ARG 14 -9.602 2.858 3.437
110 HE ARG 14 HE ARG 14 -9.996 5.631 2.672
111 HH11 ARG 14 2HH2 ARG 14 -11.682 2.573 3.110
112 HH12 ARG 14 1HH2 ARG 14 -13.215 3.317 3.418
113 HH21 ARG 14 2HH1 ARG 14 -12.019 6.612 3.079
114 HH22 ARG 14 1HH1 ARG 14 -13.408 5.630 3.400
115 H SER 15 H SER 15 -5.966 0.457 2.359
116 HA SER 15 HA SER 15 -4.676 -0.401 4.623
117 HB2 SER 15 1HB SER 15 -5.171 -1.736 1.935
118 HB3 SER 15 2HB SER 15 -4.437 -2.597 3.273
119 HG SER 15 HG SER 15 -6.539 -3.022 3.658
120 H ASP 16 H ASP 16 -3.394 1.047 1.766
121 HA ASP 16 HA ASP 16 -0.802 -0.177 2.241
122 HB2 ASP 16 1HB ASP 16 -2.235 0.823 -0.117
123 HB3 ASP 16 2HB ASP 16 -0.655 1.570 0.008
124 H ALA 17 H ALA 17 -2.755 2.686 2.650
125 HA ALA 17 HA ALA 17 -0.485 4.484 2.786
126 HB1 ALA 17 1HB ALA 17 -2.283 6.163 3.274
127 HB2 ALA 17 2HB ALA 17 -2.536 5.283 1.748
128 HB3 ALA 17 3HB ALA 17 -3.480 4.849 3.193
129 H LEU 18 H LEU 18 -0.685 2.122 4.616
130 HA LEU 18 HA LEU 18 0.052 3.435 6.975
131 HB2 LEU 18 1HB LEU 18 -1.713 3.272 8.384
132 HB3 LEU 18 2HB LEU 18 -2.542 3.650 6.887
133 HG LEU 18 HG LEU 18 -3.876 1.960 7.591
134 HD11 LEU 18 1HD1 LEU 18 -2.351 1.256 5.503
135 HD12 LEU 18 2HD1 LEU 18 -1.940 -0.072 6.615
136 HD13 LEU 18 3HD1 LEU 18 -3.637 0.218 6.164
137 HD21 LEU 18 3HD2 LEU 18 -1.705 1.438 9.390
138 HD22 LEU 18 1HD2 LEU 18 -3.424 0.999 9.536
139 HD23 LEU 18 2HD2 LEU 18 -2.292 -0.100 8.713
140 H SER 19 H SER 19 0.976 1.444 5.030
141 HA SER 19 HA SER 19 1.518 -0.627 6.966
142 HB2 SER 19 1HB SER 19 0.059 -1.015 4.378
143 HB3 SER 19 2HB SER 19 1.284 -2.207 4.762
144 HG SER 19 HG SER 19 -1.213 -2.108 5.699
145 H LYS 20 H LYS 20 2.019 0.114 3.429
146 HA LYS 20 HA LYS 20 4.773 -0.657 3.635
147 HB2 LYS 20 1HB LYS 20 2.923 0.217 1.441
148 HB3 LYS 20 2HB LYS 20 4.652 0.301 1.175
149 HG2 LYS 20 1HG LYS 20 4.109 -1.880 0.439
150 HG3 LYS 20 2HG LYS 20 4.727 -2.155 2.056
151 HD2 LYS 20 1HD LYS 20 2.141 -1.811 2.724
152 HD3 LYS 20 2HD LYS 20 1.883 -2.292 1.059
153 HE2 LYS 20 1HE LYS 20 1.829 -4.287 2.485
154 HE3 LYS 20 2HE LYS 20 3.241 -4.363 1.450
155 HZ1 LYS 20 3HZ LYS 20 3.290 -4.605 4.100
156 HZ2 LYS 20 1HZ LYS 20 4.583 -4.187 3.194
157 HZ3 LYS 20 2HZ LYS 20 3.699 -3.032 3.935
158 H HIS 21 H HIS 21 4.483 1.229 5.551
159 HA HIS 21 HA HIS 21 6.333 3.162 4.747
160 HB2 HIS 21 1HB HIS 21 5.149 4.936 4.121
161 HB3 HIS 21 2HB HIS 21 3.780 3.856 3.949
162 HD1 HIS 21 1HD HIS 21 1.779 4.944 4.956
163 HD2 HIS 21 2HD HIS 21 5.238 5.610 7.234
164 HE1 HIS 21 1HE HIS 21 1.042 6.283 6.999
165 HE2 HIS 21 2HE HIS 21 3.200 6.615 8.388
166 H ILE 22 H ILE 22 3.762 2.049 6.969
167 HA ILE 22 HA ILE 22 5.150 3.307 9.199
168 HB ILE 22 HB ILE 22 3.204 2.697 10.494
169 HG12 ILE 22 1HG1 ILE 22 1.222 1.788 8.927
170 HG13 ILE 22 2HG1 ILE 22 2.570 1.024 8.110
171 HG21 ILE 22 1HG2 ILE 22 3.132 4.802 9.310
172 HG22 ILE 22 2HG2 ILE 22 2.523 3.998 7.843
173 HG23 ILE 22 3HG2 ILE 22 1.514 4.060 9.308
174 HD11 ILE 22 3HD1 ILE 22 3.345 0.078 10.303
175 HD12 ILE 22 1HD1 ILE 22 1.919 0.801 11.084
176 HD13 ILE 22 2HD1 ILE 22 1.711 -0.472 9.858
177 H LYS 23 H LYS 23 4.795 0.257 7.515
178 HA LYS 23 HA LYS 23 5.798 -1.227 9.803
179 HB2 LYS 23 1HB LYS 23 4.812 -2.047 7.061
180 HB3 LYS 23 2HB LYS 23 5.535 -3.174 8.191
181 HG2 LYS 23 1HG LYS 23 3.073 -1.449 8.740
182 HG3 LYS 23 2HG LYS 23 3.052 -3.163 8.376
183 HD2 LYS 23 1HD LYS 23 4.827 -3.142 10.472
184 HD3 LYS 23 2HD LYS 23 3.830 -1.767 10.904
185 HE2 LYS 23 1HE LYS 23 2.823 -3.721 11.923
186 HE3 LYS 23 2HE LYS 23 1.776 -3.234 10.606
187 HZ1 LYS 23 3HZ LYS 23 2.649 -4.933 9.260
188 HZ2 LYS 23 1HZ LYS 23 3.861 -5.275 10.300
189 HZ3 LYS 23 2HZ LYS 23 2.318 -5.630 10.699
190 H THR 24 H THR 24 7.366 0.953 8.427
191 HA THR 24 HA THR 24 9.853 -0.299 8.456
192 HB THR 24 HB THR 24 8.908 -1.324 6.312
193 HG1 THR 24 1HG THR 24 11.221 -0.936 6.711
194 HG21 THR 24 3HG2 THR 24 7.757 0.909 5.597
195 HG22 THR 24 1HG2 THR 24 9.392 1.459 5.159
196 HG23 THR 24 2HG2 THR 24 8.682 0.044 4.346
197 H ALA 25 H ALA 25 11.030 1.286 9.309
198 HA ALA 25 HA ALA 25 10.338 4.022 8.558
199 HB1 ALA 25 1HB ALA 25 10.436 4.077 10.836
200 HB2 ALA 25 2HB ALA 25 11.485 2.642 10.929
201 HB3 ALA 25 3HB ALA 25 12.186 4.233 10.552
202 H PHE 26 H PHE 26 11.299 3.607 6.357
203 HA PHE 26 HA PHE 26 13.939 4.613 6.313
204 HB2 PHE 26 1HB PHE 26 15.035 2.631 5.383
205 HB3 PHE 26 2HB PHE 26 14.201 2.090 6.827
206 HD1 PHE 26 2HD PHE 26 11.515 2.552 4.893
207 HD2 PHE 26 1HD PHE 26 14.971 0.090 4.951
208 HE1 PHE 26 2HE PHE 26 10.302 0.818 3.543
209 HE2 PHE 26 1HE PHE 26 13.758 -1.644 3.602
210 HZ PHE 26 HZ PHE 26 11.438 -1.259 2.914
211 H ILE 27 H ILE 27 14.695 3.787 3.704
212 HA ILE 27 HA ILE 27 12.371 4.594 2.106
213 HB ILE 27 HB ILE 27 13.673 6.112 0.848
214 HG12 ILE 27 1HG1 ILE 27 16.155 6.439 1.947
215 HG13 ILE 27 2HG1 ILE 27 15.961 4.703 2.079
216 HG21 ILE 27 1HG2 ILE 27 12.845 7.284 2.653
217 HG22 ILE 27 2HG2 ILE 27 13.851 6.405 3.829
218 HG23 ILE 27 3HG2 ILE 27 14.587 7.629 2.767
219 HD11 ILE 27 3HD1 ILE 27 16.041 6.426 -0.392
220 HD12 ILE 27 1HD1 ILE 27 16.824 4.858 -0.079
221 HD13 ILE 27 2HD1 ILE 27 15.081 4.927 -0.437
222 H VAL 28 H VAL 28 11.903 2.567 1.279
223 HA VAL 28 HA VAL 28 13.593 1.651 -0.791
224 HB VAL 28 HB VAL 28 13.716 0.322 1.874
225 HG11 VAL 28 1HG1 VAL 28 13.457 -1.113 -0.754
226 HG12 VAL 28 2HG1 VAL 28 14.523 -1.772 0.510
227 HG13 VAL 28 3HG1 VAL 28 12.791 -1.533 0.843
228 HG21 VAL 28 3HG2 VAL 28 15.778 1.177 1.518
229 HG22 VAL 28 1HG2 VAL 28 16.008 -0.287 0.533
230 HG23 VAL 28 2HG2 VAL 28 15.559 1.249 -0.247
231 H VAL 29 H VAL 29 11.003 0.835 1.597
232 HA VAL 29 HA VAL 29 9.305 0.167 -0.683
233 HB VAL 29 HB VAL 29 9.864 -1.572 1.720
234 HG11 VAL 29 1HG1 VAL 29 7.564 -1.778 1.664
235 HG12 VAL 29 2HG1 VAL 29 7.468 -1.473 -0.087
236 HG13 VAL 29 3HG1 VAL 29 8.045 -3.047 0.512
237 HG21 VAL 29 3HG2 VAL 29 11.102 -1.572 -0.685
238 HG22 VAL 29 1HG2 VAL 29 10.855 -3.036 0.297
239 HG23 VAL 29 2HG2 VAL 29 9.742 -2.663 -1.041
240 H ALA 30 H ALA 30 9.860 2.311 1.601
241 HA ALA 30 HA ALA 30 7.235 2.247 2.861
242 HB1 ALA 30 1HB ALA 30 8.750 4.550 3.595
243 HB2 ALA 30 2HB ALA 30 8.411 3.101 4.572
244 HB3 ALA 30 3HB ALA 30 9.873 3.169 3.559
245 H LEU 31 H LEU 31 5.670 3.892 2.567
246 HA LEU 31 HA LEU 31 5.631 5.006 -0.023
247 HB2 LEU 31 1HB LEU 31 3.886 5.582 2.375
248 HB3 LEU 31 2HB LEU 31 3.539 6.036 0.718
249 HG LEU 31 HG LEU 31 3.322 3.392 2.061
250 HD11 LEU 31 1HD1 LEU 31 1.706 5.161 0.322
251 HD12 LEU 31 2HD1 LEU 31 1.495 3.412 0.072
252 HD13 LEU 31 3HD1 LEU 31 1.222 4.120 1.682
253 HD21 LEU 31 3HD2 LEU 31 4.006 3.622 -0.883
254 HD22 LEU 31 1HD2 LEU 31 5.039 2.921 0.385
255 HD23 LEU 31 2HD2 LEU 31 3.493 2.144 -0.034
256 H GLY 32 H GLY 32 5.163 6.919 3.004
257 HA2 GLY 32 1HA GLY 32 5.910 8.956 3.586
258 HA3 GLY 32 2HA GLY 32 7.443 8.482 2.884
Start of MODEL 9
1 H1 TYR 1 H TYR 1 -9.606 -5.171 -8.213
2 HA TYR 1 HA TYR 1 -7.738 -4.917 -9.909
3 HB2 TYR 1 1HB TYR 1 -5.944 -4.986 -8.212
4 HB3 TYR 1 2HB TYR 1 -6.590 -6.455 -7.510
5 HD1 TYR 1 1HD TYR 1 -6.433 -8.623 -8.832
6 HD2 TYR 1 2HD TYR 1 -4.355 -5.063 -9.979
7 HE1 TYR 1 1HE TYR 1 -4.861 -9.999 -10.282
8 HE2 TYR 1 2HE TYR 1 -2.791 -6.451 -11.425
9 HH TYR 1 HH TYR 1 -3.205 -9.975 -11.661
10 H ALA 2 H ALA 2 -8.541 -6.151 -11.527
11 HA ALA 2 HA ALA 2 -9.826 -8.651 -10.838
12 HB1 ALA 2 1HB ALA 2 -9.860 -6.680 -13.053
13 HB2 ALA 2 2HB ALA 2 -10.041 -8.378 -13.556
14 HB3 ALA 2 3HB ALA 2 -11.177 -7.672 -12.382
15 H PHE 3 H PHE 3 -7.333 -7.527 -13.242
16 HA PHE 3 HA PHE 3 -5.792 -9.898 -12.666
17 HB2 PHE 3 1HB PHE 3 -5.875 -10.668 -15.003
18 HB3 PHE 3 2HB PHE 3 -7.533 -10.464 -14.472
19 HD1 PHE 3 2HD PHE 3 -8.362 -7.874 -14.849
20 HD2 PHE 3 1HD PHE 3 -5.441 -9.936 -17.134
21 HE1 PHE 3 2HE PHE 3 -8.793 -6.338 -16.786
22 HE2 PHE 3 1HE PHE 3 -5.872 -8.400 -19.071
23 HZ PHE 3 HZ PHE 3 -7.543 -6.619 -18.874
24 H ALA 4 H ALA 4 -4.542 -9.395 -15.489
25 HA ALA 4 HA ALA 4 -2.731 -7.343 -14.529
26 HB1 ALA 4 1HB ALA 4 -1.930 -8.274 -17.066
27 HB2 ALA 4 2HB ALA 4 -1.293 -8.785 -15.485
28 HB3 ALA 4 3HB ALA 4 -2.623 -9.692 -16.244
29 H CYS 5 H CYS 5 -3.832 -5.372 -14.739
30 HA CYS 5 HA CYS 5 -3.741 -4.178 -17.236
31 HB2 CYS 5 1HB CYS 5 -6.186 -5.673 -16.810
32 HB3 CYS 5 2HB CYS 5 -6.541 -3.962 -16.933
33 HG CYS 5 HG CYS 5 -4.593 -3.858 -19.023
34 HA PRO 6 HA PRO 6 -5.797 -1.499 -13.907
35 HB2 PRO 6 1HB PRO 6 -6.908 -2.633 -11.682
36 HB3 PRO 6 2HB PRO 6 -7.832 -2.228 -13.115
37 HG2 PRO 6 1HG PRO 6 -6.942 -4.885 -12.174
38 HG3 PRO 6 2HG PRO 6 -8.196 -4.495 -13.335
39 HD2 PRO 6 1HD PRO 6 -5.562 -5.469 -13.917
40 HD3 PRO 6 2HD PRO 6 -6.775 -4.969 -15.079
41 H ALA 7 H ALA 7 -5.589 -1.050 -11.249
42 HA ALA 7 HA ALA 7 -3.442 -2.266 -10.013
43 HB1 ALA 7 1HB ALA 7 -1.754 -0.330 -10.401
44 HB2 ALA 7 2HB ALA 7 -1.918 -1.566 -11.672
45 HB3 ALA 7 3HB ALA 7 -2.710 0.017 -11.862
46 H CYS 8 H CYS 8 -3.129 -1.373 -7.926
47 HA CYS 8 HA CYS 8 -3.658 -0.223 -6.135
48 HB2 CYS 8 1HB CYS 8 -3.890 1.983 -8.178
49 HB3 CYS 8 2HB CYS 8 -4.293 2.281 -6.499
50 HG CYS 8 HG CYS 8 -1.701 2.848 -7.523
51 HA PRO 9 HA PRO 9 -8.030 -1.062 -6.611
52 HB2 PRO 9 1HB PRO 9 -8.335 -2.470 -4.289
53 HB3 PRO 9 2HB PRO 9 -7.923 -3.221 -5.817
54 HG2 PRO 9 1HG PRO 9 -6.183 -2.681 -3.489
55 HG3 PRO 9 2HG PRO 9 -5.918 -3.784 -4.825
56 HD2 PRO 9 1HD PRO 9 -4.695 -1.217 -4.450
57 HD3 PRO 9 2HD PRO 9 -4.520 -2.269 -5.841
58 H LYS 10 H LYS 10 -9.760 -1.131 -4.443
59 HA LYS 10 HA LYS 10 -9.332 1.596 -3.433
60 HB2 LYS 10 1HB LYS 10 -11.187 1.261 -5.142
61 HB3 LYS 10 2HB LYS 10 -12.014 0.288 -3.942
62 HG2 LYS 10 1HG LYS 10 -12.825 2.177 -2.992
63 HG3 LYS 10 2HG LYS 10 -11.191 2.658 -2.581
64 HD2 LYS 10 1HD LYS 10 -10.917 3.851 -4.682
65 HD3 LYS 10 2HD LYS 10 -12.391 3.165 -5.338
66 HE2 LYS 10 1HE LYS 10 -12.596 4.734 -2.768
67 HE3 LYS 10 2HE LYS 10 -12.339 5.629 -4.252
68 HZ1 LYS 10 3HZ LYS 10 -14.634 5.402 -3.966
69 HZ2 LYS 10 1HZ LYS 10 -14.254 4.353 -5.159
70 HZ3 LYS 10 2HZ LYS 10 -14.551 3.802 -3.650
71 H ARG 11 H ARG 11 -8.009 -0.031 -1.912
72 HA ARG 11 HA ARG 11 -9.340 0.038 0.494
73 HB2 ARG 11 1HB ARG 11 -10.566 -1.949 -0.526
74 HB3 ARG 11 2HB ARG 11 -9.038 -2.805 -0.597
75 HG2 ARG 11 1HG ARG 11 -8.985 -2.043 2.022
76 HG3 ARG 11 2HG ARG 11 -10.721 -2.111 1.788
77 HD2 ARG 11 1HD ARG 11 -10.042 -4.310 2.525
78 HD3 ARG 11 2HD ARG 11 -10.425 -4.456 0.821
79 HE ARG 11 HE ARG 11 -8.135 -4.792 0.331
80 HH11 ARG 11 2HH2 ARG 11 -8.546 -3.844 3.694
81 HH12 ARG 11 1HH2 ARG 11 -6.920 -4.240 4.138
82 HH21 ARG 11 2HH1 ARG 11 -5.989 -5.315 0.915
83 HH22 ARG 11 1HH1 ARG 11 -5.455 -5.082 2.547
84 H PHE 12 H PHE 12 -6.862 -1.499 -1.596
85 HA PHE 12 HA PHE 12 -5.111 -2.193 0.505
86 HB2 PHE 12 1HB PHE 12 -5.072 -3.193 -1.781
87 HB3 PHE 12 2HB PHE 12 -4.813 -1.616 -2.501
88 HD1 PHE 12 1HD PHE 12 -3.223 -4.037 -0.159
89 HD2 PHE 12 2HD PHE 12 -2.649 -0.901 -2.960
90 HE1 PHE 12 1HE PHE 12 -0.741 -4.395 -0.052
91 HE2 PHE 12 2HE PHE 12 -0.167 -1.259 -2.853
92 HZ PHE 12 HZ PHE 12 0.758 -3.002 -1.400
93 H MET 13 H MET 13 -5.415 0.661 -1.688
94 HA MET 13 HA MET 13 -3.093 1.911 -1.146
95 HB2 MET 13 1HB MET 13 -4.683 4.063 -1.342
96 HB3 MET 13 2HB MET 13 -4.465 3.006 -2.723
97 HG2 MET 13 1HG MET 13 -6.605 2.094 -2.549
98 HG3 MET 13 2HG MET 13 -6.660 2.266 -0.806
99 HE1 MET 13 3HE MET 13 -9.180 3.568 -3.131
100 HE2 MET 13 1HE MET 13 -8.286 4.845 -3.990
101 HE3 MET 13 2HE MET 13 -7.662 3.178 -3.974
102 H ARG 14 H ARG 14 -5.873 1.459 0.999
103 HA ARG 14 HA ARG 14 -4.929 3.464 2.807
104 HB2 ARG 14 1HB ARG 14 -7.121 1.388 3.281
105 HB3 ARG 14 2HB ARG 14 -6.906 2.902 4.137
106 HG2 ARG 14 1HG ARG 14 -8.314 3.852 2.633
107 HG3 ARG 14 2HG ARG 14 -7.041 3.688 1.439
108 HD2 ARG 14 1HD ARG 14 -7.885 1.388 0.872
109 HD3 ARG 14 2HD ARG 14 -9.172 1.580 2.046
110 HE ARG 14 HE ARG 14 -9.068 2.757 -0.612
111 HH11 ARG 14 2HH2 ARG 14 -10.324 3.236 2.640
112 HH12 ARG 14 1HH2 ARG 14 -11.642 4.234 2.121
113 HH21 ARG 14 2HH1 ARG 14 -10.806 4.072 -1.297
114 HH22 ARG 14 1HH1 ARG 14 -11.918 4.712 -0.133
115 H SER 15 H SER 15 -5.328 -0.143 2.696
116 HA SER 15 HA SER 15 -4.277 -0.600 5.218
117 HB2 SER 15 1HB SER 15 -4.503 -2.322 2.722
118 HB3 SER 15 2HB SER 15 -3.824 -2.952 4.210
119 HG SER 15 HG SER 15 -5.955 -2.014 5.180
120 H ASP 16 H ASP 16 -2.793 0.591 2.377
121 HA ASP 16 HA ASP 16 -0.210 -0.454 3.219
122 HB2 ASP 16 1HB ASP 16 -1.444 0.182 0.612
123 HB3 ASP 16 2HB ASP 16 0.138 0.914 0.786
124 H ALA 17 H ALA 17 -2.310 2.331 2.991
125 HA ALA 17 HA ALA 17 -0.141 4.249 3.066
126 HB1 ALA 17 1HB ALA 17 -3.168 4.393 2.976
127 HB2 ALA 17 2HB ALA 17 -2.168 5.836 3.270
128 HB3 ALA 17 3HB ALA 17 -1.992 4.927 1.751
129 H LEU 18 H LEU 18 -0.582 2.130 5.217
130 HA LEU 18 HA LEU 18 -0.150 3.878 7.413
131 HB2 LEU 18 1HB LEU 18 -2.043 3.704 8.630
132 HB3 LEU 18 2HB LEU 18 -2.732 3.713 7.018
133 HG LEU 18 HG LEU 18 -3.915 1.985 7.886
134 HD11 LEU 18 1HD1 LEU 18 -2.061 1.187 6.103
135 HD12 LEU 18 2HD1 LEU 18 -1.665 0.102 7.458
136 HD13 LEU 18 3HD1 LEU 18 -3.310 0.113 6.778
137 HD21 LEU 18 3HD2 LEU 18 -1.988 2.123 9.961
138 HD22 LEU 18 1HD2 LEU 18 -3.575 1.317 9.972
139 HD23 LEU 18 2HD2 LEU 18 -2.123 0.416 9.475
140 H SER 19 H SER 19 1.116 1.694 5.819
141 HA SER 19 HA SER 19 1.729 0.038 8.108
142 HB2 SER 19 1HB SER 19 0.519 -0.904 5.539
143 HB3 SER 19 2HB SER 19 1.847 -1.867 6.154
144 HG SER 19 HG SER 19 0.668 -1.959 8.234
145 H LYS 20 H LYS 20 2.416 0.834 4.634
146 HA LYS 20 HA LYS 20 5.197 0.135 5.001
147 HB2 LYS 20 1HB LYS 20 3.404 0.779 2.705
148 HB3 LYS 20 2HB LYS 20 5.107 1.144 2.515
149 HG2 LYS 20 1HG LYS 20 4.578 -1.164 1.744
150 HG3 LYS 20 2HG LYS 20 5.720 -1.178 3.073
151 HD2 LYS 20 1HD LYS 20 3.723 -1.519 4.652
152 HD3 LYS 20 2HD LYS 20 2.726 -1.745 3.228
153 HE2 LYS 20 1HE LYS 20 3.302 -3.952 3.434
154 HE3 LYS 20 2HE LYS 20 4.795 -3.469 2.655
155 HZ1 LYS 20 3HZ LYS 20 5.652 -4.338 4.511
156 HZ2 LYS 20 1HZ LYS 20 5.345 -2.871 5.157
157 HZ3 LYS 20 2HZ LYS 20 4.312 -4.109 5.415
158 H HIS 21 H HIS 21 4.506 2.077 6.845
159 HA HIS 21 HA HIS 21 6.362 4.072 6.216
160 HB2 HIS 21 1HB HIS 21 5.186 5.826 5.477
161 HB3 HIS 21 2HB HIS 21 4.004 4.629 4.986
162 HD1 HIS 21 1HD HIS 21 1.710 5.360 5.608
163 HD2 HIS 21 2HD HIS 21 4.545 6.498 8.483
164 HE1 HIS 21 1HE HIS 21 0.419 6.572 7.445
165 HE2 HIS 21 2HE HIS 21 2.205 7.198 9.209
166 H ILE 22 H ILE 22 3.511 2.999 8.116
167 HA ILE 22 HA ILE 22 4.421 4.438 10.440
168 HB ILE 22 HB ILE 22 2.445 3.683 11.475
169 HG12 ILE 22 1HG1 ILE 22 1.862 1.775 9.207
170 HG13 ILE 22 2HG1 ILE 22 2.765 1.275 10.623
171 HG21 ILE 22 1HG2 ILE 22 2.161 4.486 8.599
172 HG22 ILE 22 2HG2 ILE 22 0.712 4.105 9.560
173 HG23 ILE 22 3HG2 ILE 22 1.811 5.404 10.083
174 HD11 ILE 22 3HD1 ILE 22 -0.059 2.432 10.588
175 HD12 ILE 22 1HD1 ILE 22 0.408 0.760 10.984
176 HD13 ILE 22 2HD1 ILE 22 0.861 2.093 12.074
177 H LYS 23 H LYS 23 4.580 1.164 9.045
178 HA LYS 23 HA LYS 23 5.689 0.105 11.500
179 HB2 LYS 23 1HB LYS 23 4.970 -1.097 8.821
180 HB3 LYS 23 2HB LYS 23 5.842 -1.998 10.045
181 HG2 LYS 23 1HG LYS 23 3.099 -0.697 10.389
182 HG3 LYS 23 2HG LYS 23 3.411 -2.415 10.232
183 HD2 LYS 23 1HD LYS 23 3.597 -2.509 12.490
184 HD3 LYS 23 2HD LYS 23 5.098 -1.617 12.345
185 HE2 LYS 23 1HE LYS 23 4.124 0.413 12.945
186 HE3 LYS 23 2HE LYS 23 2.569 0.002 12.249
187 HZ1 LYS 23 3HZ LYS 23 2.799 -1.791 14.207
188 HZ2 LYS 23 1HZ LYS 23 3.563 -0.511 14.876
189 HZ3 LYS 23 2HZ LYS 23 2.022 -0.362 14.356
190 H THR 24 H THR 24 6.898 2.273 9.512
191 HA THR 24 HA THR 24 9.562 1.693 10.049
192 HB THR 24 HB THR 24 9.051 -0.163 8.343
193 HG1 THR 24 1HG THR 24 11.175 0.988 8.792
194 HG21 THR 24 3HG2 THR 24 8.850 0.420 6.019
195 HG22 THR 24 1HG2 THR 24 7.646 1.444 6.839
196 HG23 THR 24 2HG2 THR 24 9.210 2.134 6.341
197 H ALA 25 H ALA 25 10.318 3.687 10.325
198 HA ALA 25 HA ALA 25 9.184 5.789 8.637
199 HB1 ALA 25 1HB ALA 25 10.864 5.996 11.167
200 HB2 ALA 25 2HB ALA 25 9.961 7.305 10.366
201 HB3 ALA 25 3HB ALA 25 9.085 5.965 11.143
202 H PHE 26 H PHE 26 10.479 4.922 6.773
203 HA PHE 26 HA PHE 26 12.850 6.426 6.516
204 HB2 PHE 26 1HB PHE 26 14.432 4.556 6.409
205 HB3 PHE 26 2HB PHE 26 13.552 4.369 7.913
206 HD1 PHE 26 1HD PHE 26 11.098 3.505 5.803
207 HD2 PHE 26 2HD PHE 26 14.924 2.077 6.954
208 HE1 PHE 26 1HE PHE 26 10.434 1.181 5.126
209 HE2 PHE 26 2HE PHE 26 14.261 -0.247 6.277
210 HZ PHE 26 HZ PHE 26 12.023 -0.667 5.371
211 H ILE 27 H ILE 27 14.092 4.925 4.429
212 HA ILE 27 HA ILE 27 11.885 4.607 2.523
213 HB ILE 27 HB ILE 27 13.154 5.786 0.845
214 HG12 ILE 27 1HG1 ILE 27 15.149 7.157 2.288
215 HG13 ILE 27 2HG1 ILE 27 15.330 5.471 2.730
216 HG21 ILE 27 1HG2 ILE 27 11.679 6.924 2.749
217 HG22 ILE 27 2HG2 ILE 27 13.227 7.730 3.100
218 HG23 ILE 27 3HG2 ILE 27 12.500 7.868 1.482
219 HD11 ILE 27 3HD1 ILE 27 15.621 4.778 0.458
220 HD12 ILE 27 1HD1 ILE 27 14.996 6.321 -0.172
221 HD13 ILE 27 2HD1 ILE 27 16.589 6.264 0.619
222 H VAL 28 H VAL 28 11.915 2.369 2.470
223 HA VAL 28 HA VAL 28 13.995 1.192 0.964
224 HB VAL 28 HB VAL 28 14.029 0.928 3.933
225 HG11 VAL 28 1HG1 VAL 28 15.454 -1.279 3.257
226 HG12 VAL 28 2HG1 VAL 28 13.752 -1.315 3.774
227 HG13 VAL 28 3HG1 VAL 28 14.157 -1.353 2.041
228 HG21 VAL 28 3HG2 VAL 28 15.950 1.992 3.447
229 HG22 VAL 28 1HG2 VAL 28 16.544 0.390 2.949
230 HG23 VAL 28 2HG2 VAL 28 15.892 1.515 1.733
231 H VAL 29 H VAL 29 11.324 0.700 3.351
232 HA VAL 29 HA VAL 29 10.111 -1.108 1.398
233 HB VAL 29 HB VAL 29 10.619 -1.642 4.323
234 HG11 VAL 29 1HG1 VAL 29 8.551 -2.834 2.478
235 HG12 VAL 29 2HG1 VAL 29 9.246 -3.781 3.815
236 HG13 VAL 29 3HG1 VAL 29 8.372 -2.268 4.156
237 HG21 VAL 29 3HG2 VAL 29 11.674 -2.652 1.770
238 HG22 VAL 29 1HG2 VAL 29 12.369 -2.716 3.407
239 HG23 VAL 29 2HG2 VAL 29 11.173 -3.933 2.900
240 H ALA 30 H ALA 30 9.946 1.801 2.722
241 HA ALA 30 HA ALA 30 7.216 1.646 3.710
242 HB1 ALA 30 1HB ALA 30 9.488 3.241 4.257
243 HB2 ALA 30 2HB ALA 30 8.315 4.320 3.463
244 HB3 ALA 30 3HB ALA 30 7.850 3.424 4.929
245 H LEU 31 H LEU 31 6.496 4.334 2.774
246 HA LEU 31 HA LEU 31 6.475 4.012 -0.120
247 HB2 LEU 31 1HB LEU 31 4.296 3.630 -0.363
248 HB3 LEU 31 2HB LEU 31 4.423 2.970 1.255
249 HG LEU 31 HG LEU 31 3.610 5.829 0.677
250 HD11 LEU 31 1HD1 LEU 31 1.912 4.548 -0.332
251 HD12 LEU 31 2HD1 LEU 31 1.926 3.341 0.975
252 HD13 LEU 31 3HD1 LEU 31 1.287 4.974 1.279
253 HD21 LEU 31 3HD2 LEU 31 3.245 4.179 3.190
254 HD22 LEU 31 1HD2 LEU 31 4.564 5.345 2.929
255 HD23 LEU 31 2HD2 LEU 31 2.875 5.905 2.959
256 H GLY 32 H GLY 32 5.163 6.073 -1.033
257 HA2 GLY 32 1HA GLY 32 4.737 8.352 -0.836
258 HA3 GLY 32 2HA GLY 32 5.677 8.420 0.641
Start of MODEL 10
1 H1 TYR 1 H TYR 1 -0.412 -9.098 -5.921
2 HA TYR 1 HA TYR 1 0.598 -7.523 -7.126
3 HB2 TYR 1 1HB TYR 1 0.234 -9.430 -8.955
4 HB3 TYR 1 2HB TYR 1 -1.097 -8.439 -9.516
5 HD1 TYR 1 2HD TYR 1 1.069 -6.049 -8.386
6 HD2 TYR 1 1HD TYR 1 0.796 -8.962 -11.508
7 HE1 TYR 1 2HE TYR 1 2.680 -4.689 -9.806
8 HE2 TYR 1 1HE TYR 1 2.408 -7.592 -12.917
9 HH TYR 1 HH TYR 1 3.811 -4.586 -11.642
10 H ALA 2 H ALA 2 -0.569 -5.934 -5.885
11 HA ALA 2 HA ALA 2 -2.827 -4.765 -7.363
12 HB1 ALA 2 1HB ALA 2 -3.545 -3.889 -5.146
13 HB2 ALA 2 2HB ALA 2 -3.486 -5.668 -5.184
14 HB3 ALA 2 3HB ALA 2 -2.186 -4.751 -4.386
15 H PHE 3 H PHE 3 0.462 -4.465 -6.455
16 HA PHE 3 HA PHE 3 0.442 -1.603 -6.224
17 HB2 PHE 3 1HB PHE 3 2.905 -1.997 -6.041
18 HB3 PHE 3 2HB PHE 3 2.051 -3.151 -5.036
19 HD1 PHE 3 1HD PHE 3 1.911 -5.512 -5.697
20 HD2 PHE 3 2HD PHE 3 4.122 -2.713 -7.996
21 HE1 PHE 3 1HE PHE 3 3.080 -7.399 -6.869
22 HE2 PHE 3 2HE PHE 3 5.291 -4.600 -9.168
23 HZ PHE 3 HZ PHE 3 4.757 -6.920 -8.591
24 H ALA 4 H ALA 4 -0.204 -3.504 -8.803
25 HA ALA 4 HA ALA 4 0.142 -1.611 -10.718
26 HB1 ALA 4 1HB ALA 4 2.681 -2.701 -9.966
27 HB2 ALA 4 2HB ALA 4 2.295 -3.290 -11.601
28 HB3 ALA 4 3HB ALA 4 2.317 -1.542 -11.266
29 H CYS 5 H CYS 5 -1.931 -2.645 -11.064
30 HA CYS 5 HA CYS 5 -1.910 -4.478 -13.123
31 HB2 CYS 5 1HB CYS 5 -1.676 -5.758 -10.531
32 HB3 CYS 5 2HB CYS 5 -3.189 -6.203 -11.294
33 HG CYS 5 HG CYS 5 -1.848 -6.473 -13.741
34 HA PRO 6 HA PRO 6 -6.229 -3.637 -11.349
35 HB2 PRO 6 1HB PRO 6 -6.535 -2.677 -8.809
36 HB3 PRO 6 2HB PRO 6 -6.625 -4.381 -9.207
37 HG2 PRO 6 1HG PRO 6 -4.435 -2.900 -7.883
38 HG3 PRO 6 2HG PRO 6 -4.734 -4.626 -7.908
39 HD2 PRO 6 1HD PRO 6 -2.769 -3.203 -9.437
40 HD3 PRO 6 2HD PRO 6 -3.147 -4.910 -9.547
41 H ALA 7 H ALA 7 -5.251 -1.200 -9.075
42 HA ALA 7 HA ALA 7 -4.578 0.867 -10.645
43 HB1 ALA 7 1HB ALA 7 -7.085 1.902 -10.744
44 HB2 ALA 7 2HB ALA 7 -6.341 1.011 -12.093
45 HB3 ALA 7 3HB ALA 7 -7.458 0.178 -10.985
46 H CYS 8 H CYS 8 -7.636 1.363 -8.924
47 HA CYS 8 HA CYS 8 -6.395 1.659 -6.380
48 HB2 CYS 8 1HB CYS 8 -6.632 4.015 -8.134
49 HB3 CYS 8 2HB CYS 8 -7.370 4.232 -6.560
50 HG CYS 8 HG CYS 8 -5.415 4.190 -5.154
51 HA PRO 9 HA PRO 9 -10.775 0.736 -6.266
52 HB2 PRO 9 1HB PRO 9 -10.679 -0.991 -4.151
53 HB3 PRO 9 2HB PRO 9 -10.512 -1.507 -5.817
54 HG2 PRO 9 1HG PRO 9 -8.423 -1.234 -3.744
55 HG3 PRO 9 2HG PRO 9 -8.366 -2.130 -5.249
56 HD2 PRO 9 1HD PRO 9 -7.130 0.402 -4.712
57 HD3 PRO 9 2HD PRO 9 -7.171 -0.439 -6.248
58 H LYS 10 H LYS 10 -12.116 0.296 -3.870
59 HA LYS 10 HA LYS 10 -11.571 2.875 -2.571
60 HB2 LYS 10 1HB LYS 10 -13.749 2.445 -4.018
61 HB3 LYS 10 2HB LYS 10 -14.302 1.641 -2.563
62 HG2 LYS 10 1HG LYS 10 -13.011 4.199 -1.922
63 HG3 LYS 10 2HG LYS 10 -14.315 4.425 -3.071
64 HD2 LYS 10 1HD LYS 10 -15.955 3.718 -1.578
65 HD3 LYS 10 2HD LYS 10 -14.884 2.602 -0.754
66 HE2 LYS 10 1HE LYS 10 -15.036 4.252 0.878
67 HE3 LYS 10 2HE LYS 10 -13.638 4.847 0.004
68 HZ1 LYS 10 3HZ LYS 10 -15.899 5.805 -1.269
69 HZ2 LYS 10 1HZ LYS 10 -16.101 6.079 0.328
70 HZ3 LYS 10 2HZ LYS 10 -14.780 6.656 -0.438
71 H ARG 11 H ARG 11 -9.984 1.099 -1.540
72 HA ARG 11 HA ARG 11 -10.899 0.785 1.040
73 HB2 ARG 11 1HB ARG 11 -12.179 -1.124 -0.189
74 HB3 ARG 11 2HB ARG 11 -10.622 -1.909 -0.367
75 HG2 ARG 11 1HG ARG 11 -11.238 -0.940 2.391
76 HG3 ARG 11 2HG ARG 11 -12.275 -2.228 1.812
77 HD2 ARG 11 1HD ARG 11 -9.220 -2.292 1.918
78 HD3 ARG 11 2HD ARG 11 -10.307 -3.177 2.969
79 HE ARG 11 HE ARG 11 -9.612 -3.855 0.206
80 HH11 ARG 11 2HH2 ARG 11 -12.003 -4.267 2.755
81 HH12 ARG 11 1HH2 ARG 11 -12.630 -5.744 2.104
82 HH21 ARG 11 2HH1 ARG 11 -10.439 -5.804 -0.654
83 HH22 ARG 11 1HH1 ARG 11 -11.735 -6.625 0.152
84 H PHE 12 H PHE 12 -8.769 -0.356 -1.616
85 HA PHE 12 HA PHE 12 -6.676 -1.228 0.066
86 HB2 PHE 12 1HB PHE 12 -6.986 -1.944 -2.300
87 HB3 PHE 12 2HB PHE 12 -6.909 -0.283 -2.851
88 HD1 PHE 12 2HD PHE 12 -4.888 -2.967 -1.281
89 HD2 PHE 12 1HD PHE 12 -4.852 0.698 -3.420
90 HE1 PHE 12 2HE PHE 12 -2.414 -3.198 -1.637
91 HE2 PHE 12 1HE PHE 12 -2.378 0.466 -3.776
92 HZ PHE 12 HZ PHE 12 -1.189 -1.479 -2.880
93 H MET 13 H MET 13 -7.391 1.852 -1.685
94 HA MET 13 HA MET 13 -5.038 3.122 -1.354
95 HB2 MET 13 1HB MET 13 -6.688 5.217 -1.046
96 HB3 MET 13 2HB MET 13 -6.657 4.339 -2.562
97 HG2 MET 13 1HG MET 13 -8.722 3.322 -2.188
98 HG3 MET 13 2HG MET 13 -8.519 3.291 -0.448
99 HE1 MET 13 3HE MET 13 -10.600 4.664 0.683
100 HE2 MET 13 1HE MET 13 -11.627 5.452 -0.539
101 HE3 MET 13 2HE MET 13 -11.044 3.791 -0.804
102 H ARG 14 H ARG 14 -7.426 2.291 1.117
103 HA ARG 14 HA ARG 14 -6.245 4.110 2.992
104 HB2 ARG 14 1HB ARG 14 -8.330 1.948 3.552
105 HB3 ARG 14 2HB ARG 14 -8.006 3.377 4.514
106 HG2 ARG 14 1HG ARG 14 -9.388 4.653 3.239
107 HG3 ARG 14 2HG ARG 14 -8.600 4.145 1.759
108 HD2 ARG 14 1HD ARG 14 -10.266 2.667 1.270
109 HD3 ARG 14 2HD ARG 14 -10.210 1.960 2.872
110 HE ARG 14 HE ARG 14 -11.497 4.609 2.743
111 HH11 ARG 14 2HH2 ARG 14 -11.953 1.121 2.644
112 HH12 ARG 14 1HH2 ARG 14 -13.631 1.200 3.067
113 HH21 ARG 14 2HH1 ARG 14 -13.711 4.714 3.302
114 HH22 ARG 14 1HH1 ARG 14 -14.638 3.257 3.444
115 H SER 15 H SER 15 -6.655 0.534 2.509
116 HA SER 15 HA SER 15 -5.257 -0.214 4.772
117 HB2 SER 15 1HB SER 15 -6.331 -1.481 2.356
118 HB3 SER 15 2HB SER 15 -4.823 -2.231 2.841
119 HG SER 15 HG SER 15 -6.038 -2.027 5.127
120 H ASP 16 H ASP 16 -4.184 1.345 1.910
121 HA ASP 16 HA ASP 16 -1.510 0.255 2.224
122 HB2 ASP 16 1HB ASP 16 -3.098 1.321 -0.021
123 HB3 ASP 16 2HB ASP 16 -1.512 2.061 0.060
124 H ALA 17 H ALA 17 -3.592 2.997 2.818
125 HA ALA 17 HA ALA 17 -1.438 4.923 2.906
126 HB1 ALA 17 1HB ALA 17 -4.411 4.908 3.024
127 HB2 ALA 17 2HB ALA 17 -3.606 6.175 3.980
128 HB3 ALA 17 3HB ALA 17 -3.302 6.052 2.231
129 H LEU 18 H LEU 18 -1.105 2.580 4.591
130 HA LEU 18 HA LEU 18 -0.425 3.852 6.978
131 HB2 LEU 18 1HB LEU 18 -1.996 3.175 8.529
132 HB3 LEU 18 2HB LEU 18 -2.952 3.772 7.187
133 HG LEU 18 HG LEU 18 -4.123 1.882 7.638
134 HD11 LEU 18 1HD1 LEU 18 -3.781 0.268 5.985
135 HD12 LEU 18 2HD1 LEU 18 -3.022 1.735 5.321
136 HD13 LEU 18 3HD1 LEU 18 -2.011 0.454 6.032
137 HD21 LEU 18 3HD2 LEU 18 -1.890 1.239 9.227
138 HD22 LEU 18 1HD2 LEU 18 -3.489 0.457 9.214
139 HD23 LEU 18 2HD2 LEU 18 -2.181 -0.174 8.184
140 H SER 19 H SER 19 0.690 2.174 4.881
141 HA SER 19 HA SER 19 1.593 0.043 6.620
142 HB2 SER 19 1HB SER 19 -0.002 -0.318 4.196
143 HB3 SER 19 2HB SER 19 1.560 -1.094 4.024
144 HG SER 19 HG SER 19 -0.039 -2.509 4.991
145 H LYS 20 H LYS 20 1.939 1.918 3.554
146 HA LYS 20 HA LYS 20 4.749 1.238 3.412
147 HB2 LYS 20 1HB LYS 20 4.520 2.862 1.374
148 HB3 LYS 20 2HB LYS 20 3.874 1.236 1.289
149 HG2 LYS 20 1HG LYS 20 2.274 3.014 0.464
150 HG3 LYS 20 2HG LYS 20 1.616 2.009 1.739
151 HD2 LYS 20 1HD LYS 20 1.060 4.292 2.299
152 HD3 LYS 20 2HD LYS 20 2.312 3.790 3.417
153 HE2 LYS 20 1HE LYS 20 3.305 5.763 2.774
154 HE3 LYS 20 2HE LYS 20 3.891 4.797 1.434
155 HZ1 LYS 20 3HZ LYS 20 2.703 6.028 0.074
156 HZ2 LYS 20 1HZ LYS 20 1.312 5.703 0.865
157 HZ3 LYS 20 2HZ LYS 20 2.227 6.979 1.314
158 H HIS 21 H HIS 21 4.151 2.476 5.840
159 HA HIS 21 HA HIS 21 5.948 4.620 5.755
160 HB2 HIS 21 1HB HIS 21 4.694 6.507 5.857
161 HB3 HIS 21 2HB HIS 21 3.642 5.546 4.837
162 HD1 HIS 21 1HD HIS 21 1.288 6.014 5.510
163 HD2 HIS 21 2HD HIS 21 3.833 5.684 8.828
164 HE1 HIS 21 1HE HIS 21 -0.193 6.253 7.574
165 HE2 HIS 21 2HE HIS 21 1.418 5.987 9.581
166 H ILE 22 H ILE 22 3.241 2.926 7.399
167 HA ILE 22 HA ILE 22 4.502 3.475 9.969
168 HB ILE 22 HB ILE 22 2.292 3.884 10.240
169 HG12 ILE 22 1HG1 ILE 22 3.134 1.901 11.682
170 HG13 ILE 22 2HG1 ILE 22 1.426 2.289 11.672
171 HG21 ILE 22 1HG2 ILE 22 0.498 2.366 9.162
172 HG22 ILE 22 2HG2 ILE 22 1.378 3.522 8.133
173 HG23 ILE 22 3HG2 ILE 22 1.825 1.799 8.120
174 HD11 ILE 22 3HD1 ILE 22 2.500 -0.216 11.144
175 HD12 ILE 22 1HD1 ILE 22 0.861 0.310 10.692
176 HD13 ILE 22 2HD1 ILE 22 2.188 0.419 9.511
177 H LYS 23 H LYS 23 3.658 0.818 7.702
178 HA LYS 23 HA LYS 23 4.532 -1.236 9.432
179 HB2 LYS 23 1HB LYS 23 3.213 -1.027 6.958
180 HB3 LYS 23 2HB LYS 23 4.692 -1.900 6.611
181 HG2 LYS 23 1HG LYS 23 2.505 -2.629 8.592
182 HG3 LYS 23 2HG LYS 23 3.107 -3.579 7.248
183 HD2 LYS 23 1HD LYS 23 5.425 -3.364 8.623
184 HD3 LYS 23 2HD LYS 23 4.324 -3.150 9.969
185 HE2 LYS 23 1HE LYS 23 3.212 -5.288 9.476
186 HE3 LYS 23 2HE LYS 23 4.139 -5.479 8.001
187 HZ1 LYS 23 3HZ LYS 23 5.411 -5.252 10.634
188 HZ2 LYS 23 1HZ LYS 23 4.985 -6.687 9.981
189 HZ3 LYS 23 2HZ LYS 23 6.095 -5.748 9.236
190 H THR 24 H THR 24 6.216 1.277 7.938
191 HA THR 24 HA THR 24 8.723 0.110 8.591
192 HB THR 24 HB THR 24 8.398 -1.082 6.466
193 HG1 THR 24 1HG THR 24 10.494 -0.425 6.212
194 HG21 THR 24 3HG2 THR 24 7.321 1.557 5.615
195 HG22 THR 24 1HG2 THR 24 8.497 0.862 4.474
196 HG23 THR 24 2HG2 THR 24 7.036 -0.055 4.916
197 H ALA 25 H ALA 25 9.511 2.037 6.068
198 HA ALA 25 HA ALA 25 8.780 4.578 6.594
199 HB1 ALA 25 1HB ALA 25 10.477 3.496 8.754
200 HB2 ALA 25 2HB ALA 25 11.080 5.019 8.057
201 HB3 ALA 25 3HB ALA 25 9.435 4.940 8.732
202 H PHE 26 H PHE 26 9.372 3.428 4.303
203 HA PHE 26 HA PHE 26 11.407 4.973 3.237
204 HB2 PHE 26 1HB PHE 26 13.127 3.230 2.848
205 HB3 PHE 26 2HB PHE 26 12.807 3.307 4.570
206 HD1 PHE 26 2HD PHE 26 9.956 1.832 3.563
207 HD2 PHE 26 1HD PHE 26 14.110 0.969 3.674
208 HE1 PHE 26 2HE PHE 26 9.445 -0.625 3.577
209 HE2 PHE 26 1HE PHE 26 13.598 -1.488 3.688
210 HZ PHE 26 HZ PHE 26 11.272 -2.256 3.640
211 H ILE 27 H ILE 27 12.262 3.141 1.132
212 HA ILE 27 HA ILE 27 9.692 2.352 -0.027
213 HB ILE 27 HB ILE 27 10.194 3.402 -2.101
214 HG12 ILE 27 1HG1 ILE 27 12.378 5.073 -1.742
215 HG13 ILE 27 2HG1 ILE 27 12.905 3.575 -1.001
216 HG21 ILE 27 1HG2 ILE 27 10.852 5.753 -0.493
217 HG22 ILE 27 2HG2 ILE 27 9.399 5.383 -1.452
218 HG23 ILE 27 3HG2 ILE 27 9.548 4.766 0.211
219 HD11 ILE 27 3HD1 ILE 27 13.499 3.234 -3.246
220 HD12 ILE 27 1HD1 ILE 27 11.905 2.445 -3.175
221 HD13 ILE 27 2HD1 ILE 27 12.059 4.081 -3.860
222 H VAL 28 H VAL 28 10.173 0.160 0.415
223 HA VAL 28 HA VAL 28 11.856 -1.042 -1.541
224 HB VAL 28 HB VAL 28 12.739 -0.843 1.318
225 HG11 VAL 28 1HG1 VAL 28 12.957 -3.093 1.370
226 HG12 VAL 28 2HG1 VAL 28 12.845 -3.252 -0.399
227 HG13 VAL 28 3HG1 VAL 28 14.387 -2.785 0.356
228 HG21 VAL 28 3HG2 VAL 28 13.897 -0.348 -1.396
229 HG22 VAL 28 1HG2 VAL 28 14.021 0.614 0.096
230 HG23 VAL 28 2HG2 VAL 28 14.996 -0.863 -0.093
231 H VAL 29 H VAL 29 10.199 -1.451 1.658
232 HA VAL 29 HA VAL 29 8.791 -3.724 0.452
233 HB VAL 29 HB VAL 29 9.766 -3.595 3.308
234 HG11 VAL 29 1HG1 VAL 29 9.330 -6.143 3.033
235 HG12 VAL 29 2HG1 VAL 29 7.943 -5.051 3.268
236 HG13 VAL 29 3HG1 VAL 29 8.333 -5.658 1.640
237 HG21 VAL 29 3HG2 VAL 29 11.112 -5.656 1.920
238 HG22 VAL 29 1HG2 VAL 29 11.253 -4.198 0.909
239 HG23 VAL 29 2HG2 VAL 29 11.803 -4.163 2.601
240 H ALA 30 H ALA 30 8.529 -0.618 1.366
241 HA ALA 30 HA ALA 30 6.343 -0.749 3.188
242 HB1 ALA 30 1HB ALA 30 6.713 1.477 3.332
243 HB2 ALA 30 2HB ALA 30 8.152 1.170 2.330
244 HB3 ALA 30 3HB ALA 30 6.631 1.691 1.567
245 H LEU 31 H LEU 31 6.667 0.077 -0.340
246 HA LEU 31 HA LEU 31 3.996 0.395 -0.868
247 HB2 LEU 31 1HB LEU 31 4.737 -0.458 -3.209
248 HB3 LEU 31 2HB LEU 31 5.330 1.064 -2.574
249 HG LEU 31 HG LEU 31 7.061 -1.203 -1.888
250 HD11 LEU 31 1HD1 LEU 31 7.877 -0.902 -4.488
251 HD12 LEU 31 2HD1 LEU 31 6.949 -2.278 -3.847
252 HD13 LEU 31 3HD1 LEU 31 6.104 -0.934 -4.652
253 HD21 LEU 31 3HD2 LEU 31 7.694 1.336 -3.407
254 HD22 LEU 31 1HD2 LEU 31 7.563 1.251 -1.634
255 HD23 LEU 31 2HD2 LEU 31 8.806 0.300 -2.481
256 H GLY 32 H GLY 32 5.965 -2.628 -0.772
257 HA2 GLY 32 1HA GLY 32 3.804 -4.216 0.062
258 HA3 GLY 32 2HA GLY 32 3.963 -4.371 -1.677
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