Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652074 | 6vh8 RC | 30711 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 1HT LEU 1 16.652 7.438 -0.895
2 H2 LEU 1 2HT LEU 1 15.967 6.645 0.442
3 H3 LEU 1 3HT LEU 1 16.116 8.314 0.448
4 HA LEU 1 HA LEU 1 14.532 8.538 -1.283
5 HB2 LEU 1 2HB LEU 1 14.377 5.524 -1.077
6 HB3 LEU 1 1HB LEU 1 13.213 6.519 -1.919
7 HG LEU 1 HG LEU 1 16.124 6.337 -2.648
8 HD11 LEU 1 1HD1 LEU 1 15.351 4.973 -4.537
9 HD12 LEU 1 2HD1 LEU 1 13.708 5.025 -3.902
10 HD13 LEU 1 3HD1 LEU 1 14.978 4.199 -2.998
11 HD21 LEU 1 1HD2 LEU 1 15.085 8.439 -3.321
12 HD22 LEU 1 2HD2 LEU 1 13.763 7.555 -4.085
13 HD23 LEU 1 3HD2 LEU 1 15.400 7.421 -4.725
14 HA PRO 2 HA PRO 2 11.760 8.857 2.162
15 HB2 PRO 2 2HB PRO 2 9.444 9.328 0.783
16 HB3 PRO 2 1HB PRO 2 10.666 10.572 1.057
17 HG2 PRO 2 2HG PRO 2 10.193 8.881 -1.360
18 HG3 PRO 2 1HG PRO 2 10.566 10.613 -1.260
19 HD2 PRO 2 2HD PRO 2 12.455 8.790 -1.878
20 HD3 PRO 2 1HD PRO 2 12.825 10.228 -0.906
21 H ARG 3 H ARG 3 10.014 7.707 3.142
22 HA ARG 3 HA ARG 3 9.647 5.075 1.880
23 HB2 ARG 3 2HB ARG 3 9.712 5.573 4.856
24 HB3 ARG 3 1HB ARG 3 9.742 4.039 4.007
25 HG2 ARG 3 2HG ARG 3 11.950 6.070 4.184
26 HG3 ARG 3 1HG ARG 3 11.906 4.469 4.911
27 HD2 ARG 3 2HD ARG 3 11.995 5.113 1.966
28 HD3 ARG 3 1HD ARG 3 13.334 4.521 2.934
29 HE ARG 3 HE ARG 3 11.806 2.515 3.279
30 HH11 ARG 3 1HH1 ARG 3 11.631 4.488 0.315
31 HH12 ARG 3 2HH1 ARG 3 11.544 3.142 -0.735
32 HH21 ARG 3 1HH2 ARG 3 11.631 0.671 1.775
33 HH22 ARG 3 2HH2 ARG 3 11.558 1.000 0.092
34 H CYS 4 H CYS 4 7.607 4.227 1.987
35 HA CYS 4 HA CYS 4 5.509 6.009 2.949
36 HB2 CYS 4 2HB CYS 4 5.116 3.270 1.734
37 HB3 CYS 4 1HB CYS 4 3.969 4.602 1.796
38 H ASP 5 H ASP 5 6.243 2.508 3.158
39 HA ASP 5 HA ASP 5 5.846 0.939 4.682
40 HB2 ASP 5 2HB ASP 5 6.953 3.155 6.397
41 HB3 ASP 5 1HB ASP 5 6.494 1.611 7.109
42 H SER 6 H SER 6 3.597 2.518 3.927
43 HA SER 6 HA SER 6 1.848 3.215 5.883
44 HB2 SER 6 2HB SER 6 1.214 1.772 3.312
45 HB3 SER 6 1HB SER 6 0.231 2.989 4.140
46 HG SER 6 HG SER 6 1.237 4.147 2.640
47 HA PRO 7 HA PRO 7 1.582 -0.665 8.014
48 HB2 PRO 7 2HB PRO 7 -0.568 -0.082 9.596
49 HB3 PRO 7 1HB PRO 7 1.071 0.497 9.907
50 HG2 PRO 7 2HG PRO 7 -1.231 1.912 8.629
51 HG3 PRO 7 1HG PRO 7 -0.037 2.527 9.782
52 HD2 PRO 7 2HD PRO 7 0.091 3.034 7.128
53 HD3 PRO 7 1HD PRO 7 1.545 2.878 8.142
54 H PHE 8 H PHE 8 -1.125 0.609 6.249
55 HA PHE 8 HA PHE 8 -2.002 -2.046 5.637
56 HB2 PHE 8 2HB PHE 8 -4.369 -1.587 6.271
57 HB3 PHE 8 1HB PHE 8 -3.306 -1.627 7.670
58 HD1 PHE 8 1HD PHE 8 -5.448 0.460 5.573
59 HD2 PHE 8 2HD PHE 8 -2.823 0.412 8.918
60 HE1 PHE 8 1HE PHE 8 -6.259 2.666 6.236
61 HE2 PHE 8 2HE PHE 8 -3.630 2.634 9.589
62 HZ PHE 8 HZ PHE 8 -5.350 3.768 8.251
63 H CYS 9 H CYS 9 -3.784 -1.895 3.997
64 HA CYS 9 HA CYS 9 -4.343 0.525 2.664
65 HB2 CYS 9 2HB CYS 9 -1.979 0.005 1.879
66 HB3 CYS 9 1HB CYS 9 -2.603 -1.498 1.211
67 H SER 10 H SER 10 -5.744 -0.157 0.681
68 HA SER 10 HA SER 10 -6.758 -2.869 0.851
69 HB2 SER 10 2HB SER 10 -8.552 -0.505 1.490
70 HB3 SER 10 1HB SER 10 -9.073 -2.181 1.330
71 HG SER 10 HG SER 10 -7.064 -2.072 3.053
72 H LEU 11 H LEU 11 -8.457 -3.207 -0.852
73 HA LEU 11 HA LEU 11 -7.653 -1.905 -3.218
74 HB2 LEU 11 2HB LEU 11 -9.418 -3.263 -4.350
75 HB3 LEU 11 1HB LEU 11 -8.243 -4.127 -3.375
76 HG LEU 11 HG LEU 11 -10.013 -4.308 -1.586
77 HD11 LEU 11 1HD1 LEU 11 -11.842 -3.446 -3.811
78 HD12 LEU 11 2HD1 LEU 11 -11.517 -2.556 -2.324
79 HD13 LEU 11 3HD1 LEU 11 -12.341 -4.113 -2.257
80 HD21 LEU 11 1HD2 LEU 11 -11.138 -6.170 -2.693
81 HD22 LEU 11 2HD2 LEU 11 -9.399 -6.170 -2.982
82 HD23 LEU 11 3HD2 LEU 11 -10.504 -5.622 -4.244
83 H PHE 12 H PHE 12 -10.017 -1.195 -1.007
84 HA PHE 12 HA PHE 12 -11.535 0.600 -2.722
85 HB2 PHE 12 2HB PHE 12 -11.513 0.436 0.305
86 HB3 PHE 12 1HB PHE 12 -12.617 1.415 -0.643
87 HD1 PHE 12 1HD PHE 12 -13.988 0.026 -2.452
88 HD2 PHE 12 2HD PHE 12 -12.244 -1.593 1.074
89 HE1 PHE 12 1HE PHE 12 -15.602 -1.821 -2.505
90 HE2 PHE 12 2HE PHE 12 -13.857 -3.450 1.012
91 HZ PHE 12 HZ PHE 12 -15.533 -3.565 -0.772
92 H ARG 13 H ARG 13 -8.888 0.839 -0.511
93 HA ARG 13 HA ARG 13 -8.446 3.588 -1.345
94 HB2 ARG 13 2HB ARG 13 -8.440 2.553 1.476
95 HB3 ARG 13 1HB ARG 13 -7.517 3.968 1.008
96 HG2 ARG 13 2HG ARG 13 -10.503 3.643 0.812
97 HG3 ARG 13 1HG ARG 13 -9.622 4.615 1.998
98 HD2 ARG 13 2HD ARG 13 -8.619 5.838 -0.004
99 HD3 ARG 13 1HD ARG 13 -9.869 5.055 -0.963
100 HE ARG 13 HE ARG 13 -11.098 6.230 1.198
101 HH11 ARG 13 1HH1 ARG 13 -9.407 7.198 -1.755
102 HH12 ARG 13 2HH1 ARG 13 -10.028 8.785 -1.773
103 HH21 ARG 13 1HH2 ARG 13 -11.929 8.420 1.207
104 HH22 ARG 13 2HH2 ARG 13 -11.504 9.502 -0.035
105 H ILE 14 H ILE 14 -7.002 2.959 -2.756
106 HA ILE 14 HA ILE 14 -4.672 1.485 -1.815
107 HB ILE 14 HB ILE 14 -3.884 1.605 -4.171
108 HG12 ILE 14 2HG1 ILE 14 -6.544 2.969 -4.697
109 HG13 ILE 14 1HG1 ILE 14 -4.966 3.739 -4.791
110 HG21 ILE 14 1HG2 ILE 14 -6.681 0.533 -3.828
111 HG22 ILE 14 2HG2 ILE 14 -5.182 -0.313 -3.453
112 HG23 ILE 14 3HG2 ILE 14 -5.574 0.090 -5.125
113 HD11 ILE 14 1HD1 ILE 14 -5.844 3.180 -6.990
114 HD12 ILE 14 2HD1 ILE 14 -5.929 1.480 -6.518
115 HD13 ILE 14 3HD1 ILE 14 -4.363 2.282 -6.645
116 H GLY 15 H GLY 15 -5.762 4.554 -1.828
117 HA2 GLY 15 2HA GLY 15 -3.479 6.050 -2.591
118 HA3 GLY 15 1HA GLY 15 -4.857 6.652 -1.694
119 H LEU 16 H LEU 16 -3.846 4.075 0.014
120 HA LEU 16 HA LEU 16 -2.446 5.576 1.987
121 HB2 LEU 16 2HB LEU 16 -2.871 2.609 1.625
122 HB3 LEU 16 1HB LEU 16 -1.842 3.228 2.892
123 HG LEU 16 HG LEU 16 -3.993 2.624 3.787
124 HD11 LEU 16 1HD1 LEU 16 -4.638 4.701 4.873
125 HD12 LEU 16 2HD1 LEU 16 -3.639 5.601 3.736
126 HD13 LEU 16 3HD1 LEU 16 -2.897 4.449 4.846
127 HD21 LEU 16 1HD2 LEU 16 -6.057 3.780 3.155
128 HD22 LEU 16 2HD2 LEU 16 -5.378 2.872 1.804
129 HD23 LEU 16 3HD2 LEU 16 -5.187 4.623 1.874
130 H CYS 17 H CYS 17 -1.550 3.870 -0.852
131 HA CYS 17 HA CYS 17 1.254 4.505 -0.312
132 HB2 CYS 17 2HB CYS 17 0.350 2.108 -1.906
133 HB3 CYS 17 1HB CYS 17 1.964 2.487 -1.348
134 H GLY 18 H GLY 18 0.888 6.425 -1.480
135 HA2 GLY 18 2HA GLY 18 0.092 6.025 -4.271
136 HA3 GLY 18 1HA GLY 18 -0.123 7.513 -3.362
137 H ASP 19 H ASP 19 1.453 6.378 -5.804
138 HA ASP 19 HA ASP 19 2.940 7.296 -7.145
139 HB2 ASP 19 2HB ASP 19 2.326 9.363 -6.320
140 HB3 ASP 19 1HB ASP 19 3.327 9.217 -4.886
141 H LYS 20 H LYS 20 3.865 6.326 -4.094
142 HA LYS 20 HA LYS 20 6.618 5.999 -5.077
143 HB2 LYS 20 2HB LYS 20 5.858 6.442 -2.208
144 HB3 LYS 20 1HB LYS 20 7.488 6.363 -2.879
145 HG2 LYS 20 2HG LYS 20 6.896 8.294 -4.338
146 HG3 LYS 20 1HG LYS 20 5.390 8.429 -3.453
147 HD2 LYS 20 2HD LYS 20 6.716 8.701 -1.386
148 HD3 LYS 20 1HD LYS 20 8.174 8.762 -2.380
149 HE2 LYS 20 2HE LYS 20 5.840 10.680 -2.449
150 HE3 LYS 20 1HE LYS 20 7.495 11.018 -1.962
151 HZ1 LYS 20 1HZ LYS 20 8.188 10.573 -4.268
152 HZ2 LYS 20 2HZ LYS 20 7.101 11.849 -4.170
153 HZ3 LYS 20 3HZ LYS 20 6.572 10.360 -4.725
154 H CYS 21 H CYS 21 4.138 4.402 -3.122
155 HA CYS 21 HA CYS 21 5.701 1.955 -3.476
156 HB2 CYS 21 2HB CYS 21 4.039 2.581 -1.012
157 HB3 CYS 21 1HB CYS 21 5.091 1.211 -1.279
158 H THR 22 H THR 22 4.023 0.003 -2.976
159 HA THR 22 HA THR 22 1.435 0.750 -4.077
160 HB THR 22 HB THR 22 3.192 -1.469 -5.196
161 HG1 THR 22 1HG THR 22 3.118 1.160 -5.667
162 HG21 THR 22 1HG2 THR 22 0.764 -1.919 -5.376
163 HG22 THR 22 2HG2 THR 22 1.474 -1.615 -6.960
164 HG23 THR 22 3HG2 THR 22 0.535 -0.355 -6.155
165 H CYS 23 H CYS 23 -0.212 -0.608 -3.274
166 HA CYS 23 HA CYS 23 0.754 -2.578 -1.364
167 HB2 CYS 23 2HB CYS 23 -1.328 -2.325 -0.173
168 HB3 CYS 23 1HB CYS 23 -0.546 -0.760 -0.341
169 H VAL 24 H VAL 24 -0.195 -4.542 -1.251
170 HA VAL 24 HA VAL 24 -1.664 -5.316 -3.643
171 HB VAL 24 HB VAL 24 0.493 -6.422 -3.580
172 HG11 VAL 24 1HG1 VAL 24 1.209 -7.880 -1.749
173 HG12 VAL 24 2HG1 VAL 24 -0.173 -7.339 -0.794
174 HG13 VAL 24 3HG1 VAL 24 1.079 -6.189 -1.264
175 HG21 VAL 24 1HG2 VAL 24 -1.674 -8.342 -2.732
176 HG22 VAL 24 2HG2 VAL 24 -0.141 -8.809 -3.466
177 HG23 VAL 24 3HG2 VAL 24 -1.291 -7.835 -4.379
178 HA PRO 25 HA PRO 25 -4.774 -5.976 -0.423
179 HB2 PRO 25 2HB PRO 25 -6.745 -6.070 -2.531
180 HB3 PRO 25 1HB PRO 25 -6.508 -4.819 -1.314
181 HG2 PRO 25 2HG PRO 25 -6.022 -4.439 -3.988
182 HG3 PRO 25 1HG PRO 25 -5.223 -3.528 -2.696
183 HD2 PRO 25 2HD PRO 25 -4.214 -5.853 -4.284
184 HD3 PRO 25 1HD PRO 25 -3.369 -4.383 -3.741
185 H LEU 26 H LEU 26 -5.098 -7.939 0.376
186 HA LEU 26 HA LEU 26 -6.200 -9.978 -1.229
187 HB2 LEU 26 2HB LEU 26 -4.512 -11.695 -0.923
188 HB3 LEU 26 1HB LEU 26 -3.808 -10.329 -1.738
189 HG LEU 26 HG LEU 26 -3.391 -10.994 1.182
190 HD11 LEU 26 1HD1 LEU 26 -1.597 -11.469 -1.197
191 HD12 LEU 26 2HD1 LEU 26 -2.429 -12.706 -0.258
192 HD13 LEU 26 3HD1 LEU 26 -1.154 -11.742 0.487
193 HD21 LEU 26 1HD2 LEU 26 -1.516 -9.424 1.066
194 HD22 LEU 26 2HD2 LEU 26 -3.045 -8.622 0.696
195 HD23 LEU 26 3HD2 LEU 26 -1.933 -9.047 -0.604
196 HA PRO 27 HA PRO 27 -7.977 -10.601 -1.067
197 HB2 PRO 27 2HB PRO 27 -10.413 -10.306 0.449
198 HB3 PRO 27 1HB PRO 27 -9.857 -11.707 -0.470
199 HG2 PRO 27 2HG PRO 27 -10.059 -11.690 2.243
200 HG3 PRO 27 1HG PRO 27 -8.883 -12.681 1.366
201 HD2 PRO 27 2HD PRO 27 -8.470 -10.048 2.750
202 HD3 PRO 27 1HD PRO 27 -7.447 -11.498 2.750
203 H ILE 28 H ILE 28 -9.499 -8.579 1.498
204 HA ILE 28 HA ILE 28 -9.992 -6.506 -0.493
205 HB ILE 28 HB ILE 28 -10.862 -6.661 2.412
206 HG12 ILE 28 2HG1 ILE 28 -11.927 -8.417 1.083
207 HG13 ILE 28 1HG1 ILE 28 -13.101 -7.189 1.532
208 HG21 ILE 28 1HG2 ILE 28 -10.729 -4.368 1.680
209 HG22 ILE 28 2HG2 ILE 28 -12.407 -4.859 1.901
210 HG23 ILE 28 3HG2 ILE 28 -11.732 -4.737 0.276
211 HD11 ILE 28 1HD1 ILE 28 -11.783 -7.507 -1.151
212 HD12 ILE 28 2HD1 ILE 28 -12.930 -6.238 -0.724
213 HD13 ILE 28 3HD1 ILE 28 -13.447 -7.925 -0.743
214 H PHE 29 H PHE 29 -8.398 -6.918 2.621
215 HA PHE 29 HA PHE 29 -7.095 -4.340 2.261
216 HB2 PHE 29 2HB PHE 29 -6.348 -4.550 4.596
217 HB3 PHE 29 1HB PHE 29 -8.087 -4.745 4.497
218 HD1 PHE 29 1HD PHE 29 -4.897 -6.380 5.262
219 HD2 PHE 29 2HD PHE 29 -9.116 -6.914 4.980
220 HE1 PHE 29 1HE PHE 29 -4.718 -8.475 6.543
221 HE2 PHE 29 2HE PHE 29 -8.937 -9.000 6.251
222 HZ PHE 29 HZ PHE 29 -6.742 -9.788 7.038
223 H GLY 30 H GLY 30 -4.719 -4.293 2.680
224 HA2 GLY 30 2HA GLY 30 -3.348 -6.798 2.354
225 HA3 GLY 30 1HA GLY 30 -3.306 -5.750 0.948
226 H LEU 31 H LEU 31 -0.995 -6.174 1.725
227 HA LEU 31 HA LEU 31 -0.264 -4.143 3.674
228 HB2 LEU 31 2HB LEU 31 1.936 -5.268 3.780
229 HB3 LEU 31 1HB LEU 31 0.616 -6.303 4.248
230 HG LEU 31 HG LEU 31 0.794 -7.240 1.829
231 HD11 LEU 31 1HD1 LEU 31 3.036 -7.164 0.856
232 HD12 LEU 31 2HD1 LEU 31 3.526 -6.003 2.087
233 HD13 LEU 31 3HD1 LEU 31 2.287 -5.569 0.912
234 HD21 LEU 31 1HD2 LEU 31 2.491 -8.845 2.552
235 HD22 LEU 31 2HD2 LEU 31 1.316 -8.512 3.823
236 HD23 LEU 31 3HD2 LEU 31 2.919 -7.781 3.892
237 H CYS 32 H CYS 32 1.706 -2.922 3.180
238 HA CYS 32 HA CYS 32 1.548 -2.006 0.402
239 HB2 CYS 32 2HB CYS 32 0.964 -0.425 2.258
240 HB3 CYS 32 1HB CYS 32 2.635 -0.553 2.803
241 H VAL 33 H VAL 33 3.350 -2.176 -0.849
242 HA VAL 33 HA VAL 33 5.786 -2.855 0.560
243 HB VAL 33 HB VAL 33 4.865 -4.889 -0.514
244 HG11 VAL 33 1HG1 VAL 33 5.192 -3.426 -3.117
245 HG12 VAL 33 2HG1 VAL 33 3.662 -3.909 -2.376
246 HG13 VAL 33 3HG1 VAL 33 4.803 -5.136 -2.940
247 HG21 VAL 33 1HG2 VAL 33 6.874 -5.576 -1.742
248 HG22 VAL 33 2HG2 VAL 33 7.277 -4.691 -0.270
249 HG23 VAL 33 3HG2 VAL 33 7.384 -3.891 -1.837
250 HA PRO 34 HA PRO 34 7.314 0.398 -2.046
251 HB2 PRO 34 2HB PRO 34 9.647 0.744 -0.715
252 HB3 PRO 34 1HB PRO 34 8.120 1.385 -0.107
253 HG2 PRO 34 2HG PRO 34 9.697 -0.935 0.814
254 HG3 PRO 34 1HG PRO 34 8.591 0.101 1.728
255 HD2 PRO 34 2HD PRO 34 8.056 -2.476 0.673
256 HD3 PRO 34 1HD PRO 34 6.892 -1.348 1.393
257 H ASP 35 H ASP 35 8.296 -0.050 -3.945
258 HA ASP 35 HA ASP 35 9.803 -2.509 -4.205
259 HB2 ASP 35 2HB ASP 35 8.264 -1.728 -6.042
260 HB3 ASP 35 1HB ASP 35 9.379 -0.379 -6.292
261 H VAL 36 H VAL 36 10.301 0.894 -4.106
262 HA VAL 36 HA VAL 36 13.131 0.431 -4.146
263 HB VAL 36 HB VAL 36 13.466 2.813 -4.879
264 HG11 VAL 36 1HG1 VAL 36 12.855 2.464 -7.225
265 HG12 VAL 36 2HG1 VAL 36 11.811 1.127 -6.743
266 HG13 VAL 36 3HG1 VAL 36 13.555 1.016 -6.499
267 HG21 VAL 36 1HG2 VAL 36 11.594 4.057 -5.873
268 HG22 VAL 36 2HG2 VAL 36 11.315 3.760 -4.156
269 HG23 VAL 36 3HG2 VAL 36 10.482 2.784 -5.368
Start of MODEL 2
1 H1 LEU 1 1HT LEU 1 16.684 4.400 -0.233
2 H2 LEU 1 2HT LEU 1 15.692 4.995 1.028
3 H3 LEU 1 3HT LEU 1 15.546 5.614 -0.509
4 HA LEU 1 HA LEU 1 14.670 3.607 -1.346
5 HB2 LEU 1 2HB LEU 1 16.091 2.249 0.324
6 HB3 LEU 1 1HB LEU 1 14.851 2.609 1.506
7 HG LEU 1 HG LEU 1 14.290 1.034 -1.018
8 HD11 LEU 1 1HD1 LEU 1 16.030 -0.096 0.280
9 HD12 LEU 1 2HD1 LEU 1 14.499 -0.967 0.365
10 HD13 LEU 1 3HD1 LEU 1 15.025 0.022 1.725
11 HD21 LEU 1 1HD2 LEU 1 12.340 1.978 0.166
12 HD22 LEU 1 2HD2 LEU 1 12.880 1.172 1.640
13 HD23 LEU 1 3HD2 LEU 1 12.381 0.218 0.245
14 HA PRO 2 HA PRO 2 11.147 6.034 -0.203
15 HB2 PRO 2 2HB PRO 2 9.218 4.558 -1.439
16 HB3 PRO 2 1HB PRO 2 10.313 5.637 -2.310
17 HG2 PRO 2 2HG PRO 2 10.468 2.669 -1.962
18 HG3 PRO 2 1HG PRO 2 10.765 3.643 -3.415
19 HD2 PRO 2 2HD PRO 2 12.798 2.685 -1.885
20 HD3 PRO 2 1HD PRO 2 12.901 4.250 -2.718
21 H ARG 3 H ARG 3 9.706 6.159 1.341
22 HA ARG 3 HA ARG 3 9.300 3.727 2.908
23 HB2 ARG 3 2HB ARG 3 8.821 6.566 3.781
24 HB3 ARG 3 1HB ARG 3 8.817 5.120 4.769
25 HG2 ARG 3 2HG ARG 3 11.227 4.851 4.295
26 HG3 ARG 3 1HG ARG 3 11.188 6.410 3.468
27 HD2 ARG 3 2HD ARG 3 10.756 5.794 6.364
28 HD3 ARG 3 1HD ARG 3 11.887 6.931 5.634
29 HE ARG 3 HE ARG 3 8.977 7.370 5.536
30 HH11 ARG 3 1HH1 ARG 3 12.199 8.684 6.226
31 HH12 ARG 3 2HH1 ARG 3 11.581 10.163 6.803
32 HH21 ARG 3 1HH2 ARG 3 8.186 9.261 6.373
33 HH22 ARG 3 2HH2 ARG 3 9.231 10.534 6.880
34 H CYS 4 H CYS 4 7.204 3.316 3.674
35 HA CYS 4 HA CYS 4 5.215 4.120 1.768
36 HB2 CYS 4 2HB CYS 4 5.033 2.243 4.117
37 HB3 CYS 4 1HB CYS 4 3.830 2.418 2.836
38 H ASP 5 H ASP 5 5.814 4.485 5.216
39 HA ASP 5 HA ASP 5 5.114 5.919 6.794
40 HB2 ASP 5 2HB ASP 5 4.558 7.643 4.386
41 HB3 ASP 5 1HB ASP 5 4.389 8.229 6.038
42 H SER 6 H SER 6 3.113 4.128 5.442
43 HA SER 6 HA SER 6 0.762 5.237 6.734
44 HB2 SER 6 2HB SER 6 0.785 5.814 4.246
45 HB3 SER 6 1HB SER 6 0.719 4.087 3.928
46 HG SER 6 HG SER 6 -1.254 5.054 3.834
47 HA PRO 7 HA PRO 7 1.056 1.152 8.362
48 HB2 PRO 7 2HB PRO 7 -1.570 0.837 9.189
49 HB3 PRO 7 1HB PRO 7 -0.301 1.645 10.109
50 HG2 PRO 7 2HG PRO 7 -2.471 2.804 8.448
51 HG3 PRO 7 1HG PRO 7 -1.736 3.423 9.933
52 HD2 PRO 7 2HD PRO 7 -1.161 4.438 7.480
53 HD3 PRO 7 1HD PRO 7 0.003 4.418 8.806
54 H PHE 8 H PHE 8 -2.013 1.536 6.571
55 HA PHE 8 HA PHE 8 -1.448 -1.030 5.259
56 HB2 PHE 8 2HB PHE 8 -4.023 -0.428 6.707
57 HB3 PHE 8 1HB PHE 8 -3.809 -1.777 5.604
58 HD1 PHE 8 1HD PHE 8 -2.026 -3.509 6.206
59 HD2 PHE 8 2HD PHE 8 -3.508 -0.613 8.946
60 HE1 PHE 8 1HE PHE 8 -1.249 -4.889 8.091
61 HE2 PHE 8 2HE PHE 8 -2.727 -1.981 10.823
62 HZ PHE 8 HZ PHE 8 -1.604 -4.111 10.405
63 H CYS 9 H CYS 9 -3.415 -1.516 3.723
64 HA CYS 9 HA CYS 9 -4.605 0.709 2.418
65 HB2 CYS 9 2HB CYS 9 -2.320 0.762 1.464
66 HB3 CYS 9 1HB CYS 9 -2.431 -0.961 1.131
67 H SER 10 H SER 10 -5.915 -0.350 0.512
68 HA SER 10 HA SER 10 -6.329 -3.196 0.655
69 HB2 SER 10 2HB SER 10 -8.714 -3.006 1.356
70 HB3 SER 10 1HB SER 10 -7.594 -2.519 2.631
71 HG SER 10 HG SER 10 -8.212 -0.553 2.487
72 H LEU 11 H LEU 11 -8.322 -3.731 -0.779
73 HA LEU 11 HA LEU 11 -8.216 -2.538 -3.306
74 HB2 LEU 11 2HB LEU 11 -10.471 -4.013 -1.967
75 HB3 LEU 11 1HB LEU 11 -10.517 -3.517 -3.641
76 HG LEU 11 HG LEU 11 -8.501 -5.430 -2.481
77 HD11 LEU 11 1HD1 LEU 11 -10.799 -6.319 -2.424
78 HD12 LEU 11 2HD1 LEU 11 -9.815 -7.147 -3.629
79 HD13 LEU 11 3HD1 LEU 11 -10.986 -5.930 -4.135
80 HD21 LEU 11 1HD2 LEU 11 -7.755 -4.183 -4.486
81 HD22 LEU 11 2HD2 LEU 11 -9.196 -4.730 -5.339
82 HD23 LEU 11 3HD2 LEU 11 -7.985 -5.898 -4.813
83 H PHE 12 H PHE 12 -10.191 -1.882 -0.536
84 HA PHE 12 HA PHE 12 -11.956 -0.008 -1.722
85 HB2 PHE 12 2HB PHE 12 -11.170 -0.471 1.163
86 HB3 PHE 12 1HB PHE 12 -12.470 0.583 0.648
87 HD1 PHE 12 1HD PHE 12 -11.390 -2.894 1.090
88 HD2 PHE 12 2HD PHE 12 -14.566 -0.327 -0.125
89 HE1 PHE 12 1HE PHE 12 -12.970 -4.777 1.228
90 HE2 PHE 12 2HE PHE 12 -16.138 -2.209 0.007
91 HZ PHE 12 HZ PHE 12 -15.343 -4.434 0.682
92 H ARG 13 H ARG 13 -9.191 0.254 0.446
93 HA ARG 13 HA ARG 13 -9.007 3.084 -0.238
94 HB2 ARG 13 2HB ARG 13 -8.200 1.614 2.257
95 HB3 ARG 13 1HB ARG 13 -7.909 3.326 1.947
96 HG2 ARG 13 2HG ARG 13 -10.607 2.030 2.094
97 HG3 ARG 13 1HG ARG 13 -9.845 2.981 3.376
98 HD2 ARG 13 2HD ARG 13 -9.791 4.920 1.946
99 HD3 ARG 13 1HD ARG 13 -10.482 3.999 0.610
100 HE ARG 13 HE ARG 13 -12.230 3.705 2.641
101 HH11 ARG 13 1HH1 ARG 13 -10.834 6.456 0.915
102 HH12 ARG 13 2HH1 ARG 13 -12.213 7.444 1.108
103 HH21 ARG 13 1HH2 ARG 13 -14.128 5.050 2.857
104 HH22 ARG 13 2HH2 ARG 13 -14.101 6.632 2.242
105 H ILE 14 H ILE 14 -7.817 2.894 -1.965
106 HA ILE 14 HA ILE 14 -5.207 1.578 -1.828
107 HB ILE 14 HB ILE 14 -5.175 2.132 -4.329
108 HG12 ILE 14 2HG1 ILE 14 -8.094 2.683 -3.742
109 HG13 ILE 14 1HG1 ILE 14 -6.910 3.817 -4.381
110 HG21 ILE 14 1HG2 ILE 14 -6.567 0.213 -4.906
111 HG22 ILE 14 2HG2 ILE 14 -7.230 0.215 -3.272
112 HG23 ILE 14 3HG2 ILE 14 -5.514 -0.110 -3.529
113 HD11 ILE 14 1HD1 ILE 14 -6.788 2.508 -6.437
114 HD12 ILE 14 2HD1 ILE 14 -8.440 3.024 -6.095
115 HD13 ILE 14 3HD1 ILE 14 -7.950 1.364 -5.772
116 H GLY 15 H GLY 15 -6.561 4.597 -1.461
117 HA2 GLY 15 2HA GLY 15 -4.384 6.123 -2.600
118 HA3 GLY 15 1HA GLY 15 -5.763 6.758 -1.715
119 H LEU 16 H LEU 16 -4.380 4.279 -0.026
120 HA LEU 16 HA LEU 16 -3.310 6.137 1.877
121 HB2 LEU 16 2HB LEU 16 -3.724 3.184 1.948
122 HB3 LEU 16 1HB LEU 16 -2.707 3.955 3.142
123 HG LEU 16 HG LEU 16 -4.947 3.576 4.007
124 HD11 LEU 16 1HD1 LEU 16 -4.454 6.516 3.524
125 HD12 LEU 16 2HD1 LEU 16 -3.693 5.541 4.776
126 HD13 LEU 16 3HD1 LEU 16 -5.436 5.810 4.809
127 HD21 LEU 16 1HD2 LEU 16 -5.905 5.455 1.869
128 HD22 LEU 16 2HD2 LEU 16 -6.890 4.663 3.110
129 HD23 LEU 16 3HD2 LEU 16 -6.079 3.708 1.846
130 H CYS 17 H CYS 17 -2.013 3.878 -0.427
131 HA CYS 17 HA CYS 17 0.542 5.125 0.129
132 HB2 CYS 17 2HB CYS 17 0.293 2.167 -0.464
133 HB3 CYS 17 1HB CYS 17 1.749 3.066 -0.261
134 H GLY 18 H GLY 18 0.853 6.291 -1.497
135 HA2 GLY 18 2HA GLY 18 1.002 5.021 -4.093
136 HA3 GLY 18 1HA GLY 18 0.041 6.502 -3.928
137 H ASP 19 H ASP 19 2.411 6.257 -5.489
138 HA ASP 19 HA ASP 19 4.002 7.643 -6.141
139 HB2 ASP 19 2HB ASP 19 2.835 9.395 -5.195
140 HB3 ASP 19 1HB ASP 19 3.384 9.061 -3.566
141 H LYS 20 H LYS 20 4.124 6.410 -3.056
142 HA LYS 20 HA LYS 20 7.059 6.209 -3.105
143 HB2 LYS 20 2HB LYS 20 5.223 6.256 -0.732
144 HB3 LYS 20 1HB LYS 20 6.987 6.198 -0.679
145 HG2 LYS 20 2HG LYS 20 7.083 8.307 -1.890
146 HG3 LYS 20 1HG LYS 20 5.344 8.354 -1.930
147 HD2 LYS 20 2HD LYS 20 5.213 8.436 0.461
148 HD3 LYS 20 1HD LYS 20 6.973 8.369 0.593
149 HE2 LYS 20 2HE LYS 20 6.080 10.694 0.794
150 HE3 LYS 20 1HE LYS 20 7.205 10.475 -0.546
151 HZ1 LYS 20 1HZ LYS 20 5.236 11.789 -1.145
152 HZ2 LYS 20 2HZ LYS 20 4.238 10.504 -0.834
153 HZ3 LYS 20 3HZ LYS 20 5.364 10.417 -2.091
154 H CYS 21 H CYS 21 4.148 4.357 -1.935
155 HA CYS 21 HA CYS 21 5.661 1.958 -2.595
156 HB2 CYS 21 2HB CYS 21 3.892 2.368 -0.199
157 HB3 CYS 21 1HB CYS 21 4.587 0.846 -0.712
158 H THR 22 H THR 22 4.406 0.412 -3.495
159 HA THR 22 HA THR 22 1.705 1.235 -4.058
160 HB THR 22 HB THR 22 3.372 -1.001 -5.287
161 HG1 THR 22 1HG THR 22 4.292 0.792 -6.008
162 HG21 THR 22 1HG2 THR 22 0.929 -1.370 -5.500
163 HG22 THR 22 2HG2 THR 22 1.679 -1.046 -7.064
164 HG23 THR 22 3HG2 THR 22 0.765 0.221 -6.248
165 H CYS 23 H CYS 23 -0.017 -0.089 -3.353
166 HA CYS 23 HA CYS 23 0.804 -2.121 -1.447
167 HB2 CYS 23 2HB CYS 23 -1.586 -1.701 -0.557
168 HB3 CYS 23 1HB CYS 23 -0.302 -0.562 -0.164
169 H VAL 24 H VAL 24 0.247 -4.127 -1.659
170 HA VAL 24 HA VAL 24 -1.437 -4.831 -3.959
171 HB VAL 24 HB VAL 24 0.591 -6.547 -2.492
172 HG11 VAL 24 1HG1 VAL 24 -0.873 -7.043 -5.077
173 HG12 VAL 24 2HG1 VAL 24 -1.153 -7.868 -3.545
174 HG13 VAL 24 3HG1 VAL 24 0.381 -8.077 -4.392
175 HG21 VAL 24 1HG2 VAL 24 1.715 -4.726 -3.647
176 HG22 VAL 24 2HG2 VAL 24 0.852 -5.113 -5.134
177 HG23 VAL 24 3HG2 VAL 24 2.026 -6.254 -4.473
178 HA PRO 25 HA PRO 25 -4.239 -6.039 -0.554
179 HB2 PRO 25 2HB PRO 25 -6.084 -6.473 -2.814
180 HB3 PRO 25 1HB PRO 25 -6.275 -5.436 -1.397
181 HG2 PRO 25 2HG PRO 25 -5.847 -4.381 -3.813
182 HG3 PRO 25 1HG PRO 25 -5.106 -3.677 -2.362
183 HD2 PRO 25 2HD PRO 25 -3.900 -5.504 -4.408
184 HD3 PRO 25 1HD PRO 25 -3.243 -4.013 -3.686
185 H LEU 26 H LEU 26 -4.290 -8.047 0.263
186 HA LEU 26 HA LEU 26 -4.557 -10.242 -1.602
187 HB2 LEU 26 2HB LEU 26 -2.927 -11.620 -0.442
188 HB3 LEU 26 1HB LEU 26 -2.191 -10.173 -1.076
189 HG LEU 26 HG LEU 26 -2.897 -10.590 1.836
190 HD11 LEU 26 1HD1 LEU 26 -0.268 -10.961 0.412
191 HD12 LEU 26 2HD1 LEU 26 -1.253 -12.226 1.145
192 HD13 LEU 26 3HD1 LEU 26 -0.496 -10.995 2.158
193 HD21 LEU 26 1HD2 LEU 26 -2.685 -8.249 1.213
194 HD22 LEU 26 2HD2 LEU 26 -1.112 -8.566 0.483
195 HD23 LEU 26 3HD2 LEU 26 -1.327 -8.738 2.228
196 HA PRO 27 HA PRO 27 -6.297 -10.315 -2.174
197 HB2 PRO 27 2HB PRO 27 -9.048 -10.995 -1.963
198 HB3 PRO 27 1HB PRO 27 -7.766 -11.994 -2.645
199 HG2 PRO 27 2HG PRO 27 -9.195 -12.617 -0.355
200 HG3 PRO 27 1HG PRO 27 -7.597 -13.267 -0.757
201 HD2 PRO 27 2HD PRO 27 -8.322 -10.999 1.054
202 HD3 PRO 27 1HD PRO 27 -7.106 -12.273 1.289
203 H ILE 28 H ILE 28 -7.753 -9.129 0.671
204 HA ILE 28 HA ILE 28 -9.236 -7.029 -0.773
205 HB ILE 28 HB ILE 28 -9.509 -7.850 2.128
206 HG12 ILE 28 2HG1 ILE 28 -10.265 -9.664 0.684
207 HG13 ILE 28 1HG1 ILE 28 -11.635 -8.892 1.472
208 HG21 ILE 28 1HG2 ILE 28 -11.568 -6.519 2.093
209 HG22 ILE 28 2HG2 ILE 28 -11.217 -6.033 0.434
210 HG23 ILE 28 3HG2 ILE 28 -10.142 -5.538 1.745
211 HD11 ILE 28 1HD1 ILE 28 -12.139 -9.433 -0.826
212 HD12 ILE 28 2HD1 ILE 28 -10.756 -8.494 -1.381
213 HD13 ILE 28 3HD1 ILE 28 -12.121 -7.682 -0.608
214 H PHE 29 H PHE 29 -7.368 -7.460 2.214
215 HA PHE 29 HA PHE 29 -6.564 -4.664 2.084
216 HB2 PHE 29 2HB PHE 29 -6.376 -6.726 4.285
217 HB3 PHE 29 1HB PHE 29 -5.614 -5.144 4.382
218 HD1 PHE 29 1HD PHE 29 -8.791 -6.963 4.398
219 HD2 PHE 29 2HD PHE 29 -6.914 -3.154 4.667
220 HE1 PHE 29 1HE PHE 29 -10.884 -5.985 5.231
221 HE2 PHE 29 2HE PHE 29 -9.000 -2.179 5.497
222 HZ PHE 29 HZ PHE 29 -10.987 -3.589 5.781
223 H GLY 30 H GLY 30 -4.370 -4.090 2.124
224 HA2 GLY 30 2HA GLY 30 -2.529 -6.276 1.626
225 HA3 GLY 30 1HA GLY 30 -2.714 -5.041 0.389
226 H LEU 31 H LEU 31 -0.336 -5.597 1.566
227 HA LEU 31 HA LEU 31 0.124 -3.472 3.477
228 HB2 LEU 31 2HB LEU 31 1.973 -5.579 2.355
229 HB3 LEU 31 1HB LEU 31 2.373 -4.435 3.614
230 HG LEU 31 HG LEU 31 0.322 -6.638 3.846
231 HD11 LEU 31 1HD1 LEU 31 1.933 -7.668 5.360
232 HD12 LEU 31 2HD1 LEU 31 3.088 -6.382 5.011
233 HD13 LEU 31 3HD1 LEU 31 2.594 -7.494 3.735
234 HD21 LEU 31 1HD2 LEU 31 0.304 -6.050 6.232
235 HD22 LEU 31 2HD2 LEU 31 -0.248 -4.711 5.230
236 HD23 LEU 31 3HD2 LEU 31 1.383 -4.694 5.901
237 H CYS 32 H CYS 32 1.790 -2.000 3.019
238 HA CYS 32 HA CYS 32 1.900 -1.256 0.227
239 HB2 CYS 32 2HB CYS 32 2.807 0.169 2.728
240 HB3 CYS 32 1HB CYS 32 2.766 0.851 1.104
241 H VAL 33 H VAL 33 3.646 -1.808 -0.935
242 HA VAL 33 HA VAL 33 6.065 -2.344 0.578
243 HB VAL 33 HB VAL 33 5.202 -4.463 -0.232
244 HG11 VAL 33 1HG1 VAL 33 3.794 -3.728 -2.046
245 HG12 VAL 33 2HG1 VAL 33 4.915 -4.964 -2.620
246 HG13 VAL 33 3HG1 VAL 33 5.210 -3.262 -2.986
247 HG21 VAL 33 1HG2 VAL 33 7.091 -5.245 -1.616
248 HG22 VAL 33 2HG2 VAL 33 7.609 -4.259 -0.250
249 HG23 VAL 33 3HG2 VAL 33 7.570 -3.565 -1.871
250 HA PRO 34 HA PRO 34 7.741 0.900 -1.952
251 HB2 PRO 34 2HB PRO 34 10.377 0.435 -1.287
252 HB3 PRO 34 1HB PRO 34 9.268 1.403 -0.310
253 HG2 PRO 34 2HG PRO 34 10.120 -1.425 0.015
254 HG3 PRO 34 1HG PRO 34 9.837 -0.197 1.265
255 HD2 PRO 34 2HD PRO 34 8.087 -2.169 0.714
256 HD3 PRO 34 1HD PRO 34 7.559 -0.562 1.252
257 H ASP 35 H ASP 35 7.791 0.584 -3.990
258 HA ASP 35 HA ASP 35 8.254 -1.760 -5.375
259 HB2 ASP 35 2HB ASP 35 8.374 1.073 -6.400
260 HB3 ASP 35 1HB ASP 35 8.333 -0.353 -7.424
261 H VAL 36 H VAL 36 10.547 0.788 -4.628
262 HA VAL 36 HA VAL 36 12.544 -0.914 -5.846
263 HB VAL 36 HB VAL 36 14.036 1.191 -5.946
264 HG11 VAL 36 1HG1 VAL 36 11.558 1.054 -7.661
265 HG12 VAL 36 2HG1 VAL 36 13.065 0.175 -7.930
266 HG13 VAL 36 3HG1 VAL 36 13.033 1.932 -8.062
267 HG21 VAL 36 1HG2 VAL 36 11.349 2.554 -5.644
268 HG22 VAL 36 2HG2 VAL 36 12.858 3.346 -6.098
269 HG23 VAL 36 3HG2 VAL 36 12.682 2.639 -4.492
Start of MODEL 3
1 H1 LEU 1 1HT LEU 1 16.020 6.130 0.516
2 H2 LEU 1 2HT LEU 1 14.989 6.261 1.872
3 H3 LEU 1 3HT LEU 1 14.873 7.360 0.632
4 HA LEU 1 HA LEU 1 14.146 5.694 -0.878
5 HB2 LEU 1 2HB LEU 1 14.153 3.896 1.572
6 HB3 LEU 1 1HB LEU 1 13.389 3.504 0.055
7 HG LEU 1 HG LEU 1 15.743 3.595 -0.971
8 HD11 LEU 1 1HD1 LEU 1 17.601 3.142 0.534
9 HD12 LEU 1 2HD1 LEU 1 16.550 3.393 1.922
10 HD13 LEU 1 3HD1 LEU 1 16.918 4.735 0.843
11 HD21 LEU 1 1HD2 LEU 1 15.064 1.474 1.051
12 HD22 LEU 1 2HD2 LEU 1 16.231 1.310 -0.259
13 HD23 LEU 1 3HD2 LEU 1 14.520 1.539 -0.623
14 HA PRO 2 HA PRO 2 10.260 7.379 0.646
15 HB2 PRO 2 2HB PRO 2 9.036 5.667 -1.424
16 HB3 PRO 2 1HB PRO 2 8.951 7.423 -1.243
17 HG2 PRO 2 2HG PRO 2 10.374 6.324 -3.214
18 HG3 PRO 2 1HG PRO 2 10.934 7.772 -2.350
19 HD2 PRO 2 2HD PRO 2 11.822 4.930 -2.034
20 HD3 PRO 2 1HD PRO 2 12.776 6.432 -2.076
21 H ARG 3 H ARG 3 8.932 6.731 2.112
22 HA ARG 3 HA ARG 3 8.763 3.841 2.564
23 HB2 ARG 3 2HB ARG 3 8.212 6.007 4.576
24 HB3 ARG 3 1HB ARG 3 8.342 4.281 4.852
25 HG2 ARG 3 2HG ARG 3 10.740 4.450 4.165
26 HG3 ARG 3 1HG ARG 3 10.536 6.203 4.187
27 HD2 ARG 3 2HD ARG 3 10.249 4.282 6.482
28 HD3 ARG 3 1HD ARG 3 11.426 5.576 6.287
29 HE ARG 3 HE ARG 3 8.562 6.198 6.504
30 HH11 ARG 3 1HH1 ARG 3 11.876 6.613 7.705
31 HH12 ARG 3 2HH1 ARG 3 11.428 7.611 9.000
32 HH21 ARG 3 1HH2 ARG 3 7.944 7.479 8.290
33 HH22 ARG 3 2HH2 ARG 3 9.107 8.164 9.340
34 H CYS 4 H CYS 4 6.710 3.222 3.609
35 HA CYS 4 HA CYS 4 4.550 4.373 2.088
36 HB2 CYS 4 2HB CYS 4 4.594 1.991 3.942
37 HB3 CYS 4 1HB CYS 4 3.310 2.419 2.813
38 H ASP 5 H ASP 5 5.246 3.609 5.522
39 HA ASP 5 HA ASP 5 4.491 4.419 7.468
40 HB2 ASP 5 2HB ASP 5 4.247 6.926 5.791
41 HB3 ASP 5 1HB ASP 5 3.884 6.918 7.514
42 H SER 6 H SER 6 2.702 3.079 5.719
43 HA SER 6 HA SER 6 0.132 4.259 6.292
44 HB2 SER 6 2HB SER 6 -0.535 2.388 4.677
45 HB3 SER 6 1HB SER 6 0.382 3.743 4.009
46 HG SER 6 HG SER 6 1.175 1.694 3.371
47 HA PRO 7 HA PRO 7 -0.190 1.156 9.518
48 HB2 PRO 7 2HB PRO 7 -2.846 1.550 10.069
49 HB3 PRO 7 1HB PRO 7 -1.562 2.588 10.693
50 HG2 PRO 7 2HG PRO 7 -3.405 3.039 8.393
51 HG3 PRO 7 1HG PRO 7 -2.799 4.192 9.591
52 HD2 PRO 7 2HD PRO 7 -1.817 3.994 7.064
53 HD3 PRO 7 1HD PRO 7 -0.841 4.535 8.446
54 H PHE 8 H PHE 8 -2.145 1.411 6.654
55 HA PHE 8 HA PHE 8 -2.228 -1.382 6.236
56 HB2 PHE 8 2HB PHE 8 -4.652 -1.697 6.276
57 HB3 PHE 8 1HB PHE 8 -4.146 -1.135 7.860
58 HD1 PHE 8 1HD PHE 8 -4.644 1.239 8.535
59 HD2 PHE 8 2HD PHE 8 -6.173 -0.445 4.934
60 HE1 PHE 8 1HE PHE 8 -6.309 3.043 8.387
61 HE2 PHE 8 2HE PHE 8 -7.840 1.361 4.800
62 HZ PHE 8 HZ PHE 8 -7.901 3.100 6.525
63 H CYS 9 H CYS 9 -3.527 -1.731 4.144
64 HA CYS 9 HA CYS 9 -4.232 0.607 2.663
65 HB2 CYS 9 2HB CYS 9 -1.758 0.187 2.164
66 HB3 CYS 9 1HB CYS 9 -2.242 -1.370 1.488
67 H SER 10 H SER 10 -5.445 -0.150 0.748
68 HA SER 10 HA SER 10 -6.340 -2.902 0.839
69 HB2 SER 10 2HB SER 10 -8.751 -2.183 1.152
70 HB3 SER 10 1HB SER 10 -7.746 -1.996 2.590
71 HG SER 10 HG SER 10 -7.419 0.203 1.798
72 H LEU 11 H LEU 11 -8.059 -3.221 -0.982
73 HA LEU 11 HA LEU 11 -7.057 -1.903 -3.261
74 HB2 LEU 11 2HB LEU 11 -8.656 -3.137 -4.590
75 HB3 LEU 11 1HB LEU 11 -7.934 -4.199 -3.408
76 HG LEU 11 HG LEU 11 -10.625 -2.961 -2.950
77 HD11 LEU 11 1HD1 LEU 11 -11.613 -5.037 -3.883
78 HD12 LEU 11 2HD1 LEU 11 -10.003 -5.575 -4.360
79 HD13 LEU 11 3HD1 LEU 11 -10.714 -4.147 -5.113
80 HD21 LEU 11 1HD2 LEU 11 -9.280 -5.450 -1.932
81 HD22 LEU 11 2HD2 LEU 11 -10.964 -5.039 -1.638
82 HD23 LEU 11 3HD2 LEU 11 -9.697 -4.005 -0.996
83 H PHE 12 H PHE 12 -9.580 -1.264 -1.102
84 HA PHE 12 HA PHE 12 -10.972 0.569 -2.834
85 HB2 PHE 12 2HB PHE 12 -11.261 0.212 0.159
86 HB3 PHE 12 1HB PHE 12 -12.393 1.030 -0.910
87 HD1 PHE 12 1HD PHE 12 -11.942 -1.862 0.878
88 HD2 PHE 12 2HD PHE 12 -13.054 -0.593 -3.033
89 HE1 PHE 12 1HE PHE 12 -13.115 -3.990 0.523
90 HE2 PHE 12 2HE PHE 12 -14.229 -2.719 -3.389
91 HZ PHE 12 HZ PHE 12 -14.267 -4.420 -1.615
92 H ARG 13 H ARG 13 -8.869 0.819 0.035
93 HA ARG 13 HA ARG 13 -8.375 3.608 -0.717
94 HB2 ARG 13 2HB ARG 13 -8.167 2.237 1.959
95 HB3 ARG 13 1HB ARG 13 -7.288 3.716 1.632
96 HG2 ARG 13 2HG ARG 13 -9.285 4.264 2.811
97 HG3 ARG 13 1HG ARG 13 -9.457 4.829 1.155
98 HD2 ARG 13 2HD ARG 13 -10.762 2.800 0.645
99 HD3 ARG 13 1HD ARG 13 -10.617 2.335 2.342
100 HE ARG 13 HE ARG 13 -11.718 4.940 1.848
101 HH11 ARG 13 1HH1 ARG 13 -12.396 1.534 2.506
102 HH12 ARG 13 2HH1 ARG 13 -14.003 1.843 2.979
103 HH21 ARG 13 1HH2 ARG 13 -13.901 5.318 2.526
104 HH22 ARG 13 2HH2 ARG 13 -14.869 3.986 2.993
105 H ILE 14 H ILE 14 -6.883 3.290 -2.259
106 HA ILE 14 HA ILE 14 -4.449 1.845 -1.500
107 HB ILE 14 HB ILE 14 -3.776 2.057 -3.875
108 HG12 ILE 14 2HG1 ILE 14 -6.515 3.266 -4.292
109 HG13 ILE 14 1HG1 ILE 14 -4.991 4.138 -4.387
110 HG21 ILE 14 1HG2 ILE 14 -4.947 0.053 -3.187
111 HG22 ILE 14 2HG2 ILE 14 -5.399 0.488 -4.835
112 HG23 ILE 14 3HG2 ILE 14 -6.500 0.827 -3.499
113 HD11 ILE 14 1HD1 ILE 14 -5.878 3.593 -6.580
114 HD12 ILE 14 2HD1 ILE 14 -5.835 1.877 -6.175
115 HD13 ILE 14 3HD1 ILE 14 -4.331 2.792 -6.296
116 H GLY 15 H GLY 15 -5.743 4.844 -1.410
117 HA2 GLY 15 2HA GLY 15 -3.698 6.548 -2.325
118 HA3 GLY 15 1HA GLY 15 -4.952 6.977 -1.173
119 H LEU 16 H LEU 16 -3.811 4.545 0.382
120 HA LEU 16 HA LEU 16 -2.136 6.049 2.112
121 HB2 LEU 16 2HB LEU 16 -2.759 3.099 2.011
122 HB3 LEU 16 1HB LEU 16 -1.683 3.791 3.193
123 HG LEU 16 HG LEU 16 -3.766 3.410 4.241
124 HD11 LEU 16 1HD1 LEU 16 -4.439 5.608 5.004
125 HD12 LEU 16 2HD1 LEU 16 -3.542 6.345 3.681
126 HD13 LEU 16 3HD1 LEU 16 -2.686 5.433 4.927
127 HD21 LEU 16 1HD2 LEU 16 -5.885 4.385 3.485
128 HD22 LEU 16 2HD2 LEU 16 -5.213 3.257 2.306
129 HD23 LEU 16 3HD2 LEU 16 -5.078 4.997 2.040
130 H CYS 17 H CYS 17 -1.569 4.031 -0.662
131 HA CYS 17 HA CYS 17 1.246 4.612 -0.403
132 HB2 CYS 17 2HB CYS 17 0.332 1.786 -1.040
133 HB3 CYS 17 1HB CYS 17 1.958 2.375 -0.891
134 H GLY 18 H GLY 18 0.954 6.063 -2.044
135 HA2 GLY 18 2HA GLY 18 0.760 4.821 -4.689
136 HA3 GLY 18 1HA GLY 18 -0.056 6.345 -4.330
137 H ASP 19 H ASP 19 2.553 5.249 -5.858
138 HA ASP 19 HA ASP 19 4.417 6.125 -6.658
139 HB2 ASP 19 2HB ASP 19 3.323 8.127 -6.908
140 HB3 ASP 19 1HB ASP 19 3.415 8.553 -5.210
141 H LYS 20 H LYS 20 3.879 6.120 -3.392
142 HA LYS 20 HA LYS 20 6.692 6.349 -2.628
143 HB2 LYS 20 2HB LYS 20 4.319 5.701 -0.873
144 HB3 LYS 20 1HB LYS 20 5.891 6.303 -0.358
145 HG2 LYS 20 2HG LYS 20 3.906 7.824 -2.042
146 HG3 LYS 20 1HG LYS 20 4.163 8.054 -0.316
147 HD2 LYS 20 2HD LYS 20 6.423 8.821 -0.714
148 HD3 LYS 20 1HD LYS 20 6.297 8.405 -2.421
149 HE2 LYS 20 2HE LYS 20 4.574 10.466 -1.053
150 HE3 LYS 20 1HE LYS 20 6.045 10.854 -1.940
151 HZ1 LYS 20 1HZ LYS 20 3.606 9.583 -3.089
152 HZ2 LYS 20 2HZ LYS 20 5.014 9.958 -3.956
153 HZ3 LYS 20 3HZ LYS 20 4.085 11.174 -3.291
154 H CYS 21 H CYS 21 4.078 3.951 -2.745
155 HA CYS 21 HA CYS 21 5.775 1.859 -3.412
156 HB2 CYS 21 2HB CYS 21 5.005 0.468 -1.414
157 HB3 CYS 21 1HB CYS 21 6.335 1.552 -1.098
158 H THR 22 H THR 22 4.288 -0.137 -3.454
159 HA THR 22 HA THR 22 1.548 0.779 -4.016
160 HB THR 22 HB THR 22 3.111 -1.405 -5.448
161 HG1 THR 22 1HG THR 22 3.980 0.449 -6.198
162 HG21 THR 22 1HG2 THR 22 0.439 -0.123 -6.097
163 HG22 THR 22 2HG2 THR 22 0.654 -1.748 -5.451
164 HG23 THR 22 3HG2 THR 22 1.250 -1.355 -7.064
165 H CYS 23 H CYS 23 -0.130 -0.581 -3.158
166 HA CYS 23 HA CYS 23 0.948 -2.647 -1.417
167 HB2 CYS 23 2HB CYS 23 -1.127 -2.529 -0.128
168 HB3 CYS 23 1HB CYS 23 -0.348 -0.959 -0.205
169 H VAL 24 H VAL 24 0.186 -4.654 -1.373
170 HA VAL 24 HA VAL 24 -1.356 -5.424 -3.748
171 HB VAL 24 HB VAL 24 0.352 -7.201 -1.972
172 HG11 VAL 24 1HG1 VAL 24 0.181 -8.821 -3.806
173 HG12 VAL 24 2HG1 VAL 24 -0.868 -7.707 -4.683
174 HG13 VAL 24 3HG1 VAL 24 -1.403 -8.400 -3.153
175 HG21 VAL 24 1HG2 VAL 24 2.019 -7.177 -3.772
176 HG22 VAL 24 2HG2 VAL 24 1.766 -5.563 -3.106
177 HG23 VAL 24 3HG2 VAL 24 1.047 -6.000 -4.656
178 HA PRO 25 HA PRO 25 -4.333 -5.999 -0.332
179 HB2 PRO 25 2HB PRO 25 -6.367 -5.638 -2.368
180 HB3 PRO 25 1HB PRO 25 -6.006 -4.604 -0.986
181 HG2 PRO 25 2HG PRO 25 -5.546 -3.828 -3.539
182 HG3 PRO 25 1HG PRO 25 -4.542 -3.291 -2.182
183 HD2 PRO 25 2HD PRO 25 -4.022 -5.479 -4.165
184 HD3 PRO 25 1HD PRO 25 -2.927 -4.210 -3.561
185 H LEU 26 H LEU 26 -4.672 -7.986 0.242
186 HA LEU 26 HA LEU 26 -5.961 -9.715 -1.578
187 HB2 LEU 26 2HB LEU 26 -4.201 -11.581 -1.060
188 HB3 LEU 26 1HB LEU 26 -3.956 -10.386 -2.316
189 HG LEU 26 HG LEU 26 -2.423 -9.150 -0.776
190 HD11 LEU 26 1HD1 LEU 26 -3.185 -9.960 1.372
191 HD12 LEU 26 2HD1 LEU 26 -1.465 -10.282 1.141
192 HD13 LEU 26 3HD1 LEU 26 -2.639 -11.587 0.965
193 HD21 LEU 26 1HD2 LEU 26 -1.559 -10.608 -2.489
194 HD22 LEU 26 2HD2 LEU 26 -1.689 -11.995 -1.408
195 HD23 LEU 26 3HD2 LEU 26 -0.552 -10.696 -1.044
196 HA PRO 27 HA PRO 27 -7.750 -10.199 -1.661
197 HB2 PRO 27 2HB PRO 27 -10.246 -10.127 -0.188
198 HB3 PRO 27 1HB PRO 27 -9.725 -11.301 -1.394
199 HG2 PRO 27 2HG PRO 27 -10.018 -11.961 1.202
200 HG3 PRO 27 1HG PRO 27 -8.748 -12.680 0.194
201 HD2 PRO 27 2HD PRO 27 -8.566 -10.396 2.117
202 HD3 PRO 27 1HD PRO 27 -7.503 -11.816 1.981
203 H ILE 28 H ILE 28 -8.416 -8.569 1.402
204 HA ILE 28 HA ILE 28 -9.532 -6.288 -0.054
205 HB ILE 28 HB ILE 28 -9.707 -6.893 2.913
206 HG12 ILE 28 2HG1 ILE 28 -11.823 -7.163 0.757
207 HG13 ILE 28 1HG1 ILE 28 -10.964 -8.509 1.494
208 HG21 ILE 28 1HG2 ILE 28 -11.377 -5.107 2.947
209 HG22 ILE 28 2HG2 ILE 28 -11.093 -4.798 1.232
210 HG23 ILE 28 3HG2 ILE 28 -9.810 -4.504 2.403
211 HD11 ILE 28 1HD1 ILE 28 -13.186 -8.246 2.441
212 HD12 ILE 28 2HD1 ILE 28 -12.804 -6.591 2.913
213 HD13 ILE 28 3HD1 ILE 28 -11.948 -7.941 3.659
214 H PHE 29 H PHE 29 -7.449 -6.975 2.722
215 HA PHE 29 HA PHE 29 -6.153 -4.401 2.319
216 HB2 PHE 29 2HB PHE 29 -6.122 -6.276 4.692
217 HB3 PHE 29 1HB PHE 29 -5.215 -4.774 4.594
218 HD1 PHE 29 1HD PHE 29 -8.455 -6.288 5.179
219 HD2 PHE 29 2HD PHE 29 -6.397 -2.626 4.570
220 HE1 PHE 29 1HE PHE 29 -10.392 -5.062 6.054
221 HE2 PHE 29 2HE PHE 29 -8.342 -1.382 5.454
222 HZ PHE 29 HZ PHE 29 -10.340 -2.608 6.192
223 H GLY 30 H GLY 30 -3.801 -4.388 2.640
224 HA2 GLY 30 2HA GLY 30 -2.399 -6.839 2.324
225 HA3 GLY 30 1HA GLY 30 -2.479 -5.904 0.836
226 H LEU 31 H LEU 31 -0.102 -6.254 1.568
227 HA LEU 31 HA LEU 31 0.739 -4.125 3.350
228 HB2 LEU 31 2HB LEU 31 2.995 -5.223 3.178
229 HB3 LEU 31 1HB LEU 31 1.746 -6.178 3.928
230 HG LEU 31 HG LEU 31 1.523 -7.426 1.722
231 HD11 LEU 31 1HD1 LEU 31 2.612 -5.848 0.235
232 HD12 LEU 31 2HD1 LEU 31 3.413 -7.419 0.193
233 HD13 LEU 31 3HD1 LEU 31 4.142 -6.082 1.083
234 HD21 LEU 31 1HD2 LEU 31 4.135 -7.580 3.209
235 HD22 LEU 31 2HD2 LEU 31 3.479 -8.836 2.157
236 HD23 LEU 31 3HD2 LEU 31 2.629 -8.394 3.638
237 H CYS 32 H CYS 32 2.479 -2.691 2.703
238 HA CYS 32 HA CYS 32 2.250 -2.055 -0.129
239 HB2 CYS 32 2HB CYS 32 3.096 -0.375 2.224
240 HB3 CYS 32 1HB CYS 32 3.118 0.169 0.554
241 H VAL 33 H VAL 33 3.868 -2.394 -1.433
242 HA VAL 33 HA VAL 33 6.461 -2.996 -0.257
243 HB VAL 33 HB VAL 33 5.452 -4.984 -1.288
244 HG11 VAL 33 1HG1 VAL 33 5.299 -3.398 -3.840
245 HG12 VAL 33 2HG1 VAL 33 3.938 -3.956 -2.869
246 HG13 VAL 33 3HG1 VAL 33 4.976 -5.124 -3.689
247 HG21 VAL 33 1HG2 VAL 33 7.709 -3.879 -2.946
248 HG22 VAL 33 2HG2 VAL 33 7.205 -5.567 -2.923
249 HG23 VAL 33 3HG2 VAL 33 7.858 -4.822 -1.463
250 HA PRO 34 HA PRO 34 7.844 0.658 -2.423
251 HB2 PRO 34 2HB PRO 34 10.529 -0.031 -2.479
252 HB3 PRO 34 1HB PRO 34 9.732 0.773 -1.125
253 HG2 PRO 34 2HG PRO 34 10.382 -2.118 -1.496
254 HG3 PRO 34 1HG PRO 34 10.477 -1.126 -0.029
255 HD2 PRO 34 2HD PRO 34 8.474 -2.847 -0.449
256 HD3 PRO 34 1HD PRO 34 8.204 -1.295 0.374
257 H ASP 35 H ASP 35 8.483 1.190 -4.461
258 HA ASP 35 HA ASP 35 8.537 -1.024 -6.354
259 HB2 ASP 35 2HB ASP 35 7.792 1.871 -6.669
260 HB3 ASP 35 1HB ASP 35 8.093 0.838 -8.061
261 H VAL 36 H VAL 36 10.638 0.840 -4.793
262 HA VAL 36 HA VAL 36 12.481 0.951 -7.018
263 HB VAL 36 HB VAL 36 14.043 2.143 -5.391
264 HG11 VAL 36 1HG1 VAL 36 12.819 4.271 -5.448
265 HG12 VAL 36 2HG1 VAL 36 11.340 3.396 -5.853
266 HG13 VAL 36 3HG1 VAL 36 12.702 3.396 -6.974
267 HG21 VAL 36 1HG2 VAL 36 11.584 2.177 -3.613
268 HG22 VAL 36 2HG2 VAL 36 13.055 3.107 -3.333
269 HG23 VAL 36 3HG2 VAL 36 13.101 1.346 -3.265
Start of MODEL 4
1 H1 LEU 1 1HT LEU 1 15.953 7.994 1.778
2 H2 LEU 1 2HT LEU 1 17.211 6.961 1.327
3 H3 LEU 1 3HT LEU 1 16.257 6.618 2.690
4 HA LEU 1 HA LEU 1 15.245 6.685 -0.056
5 HB2 LEU 1 2HB LEU 1 15.917 4.380 1.777
6 HB3 LEU 1 1HB LEU 1 14.956 4.216 0.324
7 HG LEU 1 HG LEU 1 17.789 5.215 0.334
8 HD11 LEU 1 1HD1 LEU 1 17.709 2.911 1.144
9 HD12 LEU 1 2HD1 LEU 1 18.386 2.976 -0.485
10 HD13 LEU 1 3HD1 LEU 1 16.716 2.460 -0.241
11 HD21 LEU 1 1HD2 LEU 1 17.694 4.718 -2.054
12 HD22 LEU 1 2HD2 LEU 1 16.471 5.902 -1.602
13 HD23 LEU 1 3HD2 LEU 1 16.012 4.223 -1.886
14 HA PRO 2 HA PRO 2 11.412 7.250 2.079
15 HB2 PRO 2 2HB PRO 2 9.724 6.630 0.077
16 HB3 PRO 2 1HB PRO 2 10.662 8.129 0.075
17 HG2 PRO 2 2HG PRO 2 11.181 5.567 -1.378
18 HG3 PRO 2 1HG PRO 2 11.334 7.232 -1.965
19 HD2 PRO 2 2HD PRO 2 13.476 5.740 -1.135
20 HD3 PRO 2 1HD PRO 2 13.414 7.504 -1.003
21 H ARG 3 H ARG 3 9.697 6.158 2.905
22 HA ARG 3 HA ARG 3 9.844 3.237 2.740
23 HB2 ARG 3 2HB ARG 3 8.983 4.973 5.068
24 HB3 ARG 3 1HB ARG 3 9.022 3.219 5.043
25 HG2 ARG 3 2HG ARG 3 11.451 3.267 4.808
26 HG3 ARG 3 1HG ARG 3 11.416 5.029 4.829
27 HD2 ARG 3 2HD ARG 3 11.989 4.247 7.025
28 HD3 ARG 3 1HD ARG 3 10.362 4.921 7.078
29 HE ARG 3 HE ARG 3 10.898 2.038 6.885
30 HH11 ARG 3 1HH1 ARG 3 9.045 4.711 8.301
31 HH12 ARG 3 2HH1 ARG 3 8.192 3.716 9.365
32 HH21 ARG 3 1HH2 ARG 3 9.758 0.712 8.334
33 HH22 ARG 3 2HH2 ARG 3 8.584 1.342 9.403
34 H CYS 4 H CYS 4 7.540 2.437 3.642
35 HA CYS 4 HA CYS 4 5.628 3.775 1.893
36 HB2 CYS 4 2HB CYS 4 5.503 1.048 3.177
37 HB3 CYS 4 1HB CYS 4 4.345 1.708 2.023
38 H ASP 5 H ASP 5 5.905 2.462 5.168
39 HA ASP 5 HA ASP 5 4.854 2.868 7.101
40 HB2 ASP 5 2HB ASP 5 4.629 5.545 5.787
41 HB3 ASP 5 1HB ASP 5 3.795 5.261 7.306
42 H SER 6 H SER 6 3.333 1.502 5.165
43 HA SER 6 HA SER 6 0.700 2.636 5.331
44 HB2 SER 6 2HB SER 6 0.028 0.563 4.066
45 HB3 SER 6 1HB SER 6 1.206 1.585 3.252
46 HG SER 6 HG SER 6 2.414 -0.275 4.817
47 HA PRO 7 HA PRO 7 -0.123 0.305 9.086
48 HB2 PRO 7 2HB PRO 7 -2.666 1.310 9.433
49 HB3 PRO 7 1HB PRO 7 -1.223 2.125 10.018
50 HG2 PRO 7 2HG PRO 7 -2.899 2.721 7.646
51 HG3 PRO 7 1HG PRO 7 -1.959 3.821 8.664
52 HD2 PRO 7 2HD PRO 7 -1.207 2.942 6.157
53 HD3 PRO 7 1HD PRO 7 -0.092 3.576 7.381
54 H PHE 8 H PHE 8 -2.025 0.751 6.234
55 HA PHE 8 HA PHE 8 -2.594 -1.955 5.803
56 HB2 PHE 8 2HB PHE 8 -5.030 -1.851 5.952
57 HB3 PHE 8 1HB PHE 8 -4.382 -1.404 7.522
58 HD1 PHE 8 1HD PHE 8 -4.430 0.984 8.240
59 HD2 PHE 8 2HD PHE 8 -6.343 -0.299 4.656
60 HE1 PHE 8 1HE PHE 8 -5.724 3.067 8.175
61 HE2 PHE 8 2HE PHE 8 -7.633 1.786 4.593
62 HZ PHE 8 HZ PHE 8 -7.320 3.477 6.352
63 H CYS 9 H CYS 9 -3.974 -1.959 3.759
64 HA CYS 9 HA CYS 9 -4.579 0.446 2.429
65 HB2 CYS 9 2HB CYS 9 -2.083 0.165 1.957
66 HB3 CYS 9 1HB CYS 9 -2.477 -1.355 1.154
67 H SER 10 H SER 10 -5.656 -0.269 0.306
68 HA SER 10 HA SER 10 -6.495 -3.055 0.386
69 HB2 SER 10 2HB SER 10 -8.447 -0.773 0.742
70 HB3 SER 10 1HB SER 10 -8.872 -2.471 0.515
71 HG SER 10 HG SER 10 -7.239 -2.555 2.438
72 H LEU 11 H LEU 11 -7.951 -3.529 -1.497
73 HA LEU 11 HA LEU 11 -7.038 -2.281 -3.846
74 HB2 LEU 11 2HB LEU 11 -8.669 -3.636 -5.063
75 HB3 LEU 11 1HB LEU 11 -7.797 -4.610 -3.913
76 HG LEU 11 HG LEU 11 -10.572 -3.572 -3.356
77 HD11 LEU 11 1HD1 LEU 11 -9.761 -6.198 -4.619
78 HD12 LEU 11 2HD1 LEU 11 -10.633 -4.891 -5.418
79 HD13 LEU 11 3HD1 LEU 11 -11.392 -5.779 -4.097
80 HD21 LEU 11 1HD2 LEU 11 -8.926 -5.826 -2.183
81 HD22 LEU 11 2HD2 LEU 11 -10.646 -5.623 -1.913
82 HD23 LEU 11 3HD2 LEU 11 -9.541 -4.391 -1.340
83 H PHE 12 H PHE 12 -9.667 -1.716 -1.731
84 HA PHE 12 HA PHE 12 -11.130 0.021 -3.517
85 HB2 PHE 12 2HB PHE 12 -11.430 -0.232 -0.516
86 HB3 PHE 12 1HB PHE 12 -12.607 0.401 -1.654
87 HD1 PHE 12 1HD PHE 12 -11.933 -2.262 0.382
88 HD2 PHE 12 2HD PHE 12 -13.131 -1.448 -3.624
89 HE1 PHE 12 1HE PHE 12 -12.935 -4.499 0.227
90 HE2 PHE 12 2HE PHE 12 -14.132 -3.679 -3.777
91 HZ PHE 12 HZ PHE 12 -14.037 -5.212 -1.853
92 H ARG 13 H ARG 13 -8.762 0.273 -0.976
93 HA ARG 13 HA ARG 13 -8.742 3.204 -1.258
94 HB2 ARG 13 2HB ARG 13 -8.077 1.699 1.278
95 HB3 ARG 13 1HB ARG 13 -8.252 3.429 1.088
96 HG2 ARG 13 2HG ARG 13 -10.429 1.355 1.018
97 HG3 ARG 13 1HG ARG 13 -10.153 2.554 2.275
98 HD2 ARG 13 2HD ARG 13 -10.982 3.083 -0.575
99 HD3 ARG 13 1HD ARG 13 -12.018 3.194 0.844
100 HE ARG 13 HE ARG 13 -9.976 4.898 1.357
101 HH11 ARG 13 1HH1 ARG 13 -12.275 4.585 -1.333
102 HH12 ARG 13 2HH1 ARG 13 -12.315 6.264 -1.640
103 HH21 ARG 13 1HH2 ARG 13 -10.033 7.174 0.874
104 HH22 ARG 13 2HH2 ARG 13 -11.045 7.732 -0.392
105 H ILE 14 H ILE 14 -7.116 3.045 -2.789
106 HA ILE 14 HA ILE 14 -4.592 1.872 -1.863
107 HB ILE 14 HB ILE 14 -3.775 2.207 -4.194
108 HG12 ILE 14 2HG1 ILE 14 -6.655 2.905 -4.800
109 HG13 ILE 14 1HG1 ILE 14 -5.314 4.044 -4.812
110 HG21 ILE 14 1HG2 ILE 14 -5.042 0.373 -5.196
111 HG22 ILE 14 2HG2 ILE 14 -6.253 0.526 -3.923
112 HG23 ILE 14 3HG2 ILE 14 -4.604 0.047 -3.521
113 HD11 ILE 14 1HD1 ILE 14 -4.294 2.797 -6.639
114 HD12 ILE 14 2HD1 ILE 14 -5.923 3.349 -7.047
115 HD13 ILE 14 3HD1 ILE 14 -5.644 1.661 -6.606
116 H GLY 15 H GLY 15 -6.179 4.658 -1.768
117 HA2 GLY 15 2HA GLY 15 -4.306 6.618 -2.505
118 HA3 GLY 15 1HA GLY 15 -5.621 6.845 -1.373
119 H LEU 16 H LEU 16 -4.286 4.450 0.040
120 HA LEU 16 HA LEU 16 -2.960 5.764 2.112
121 HB2 LEU 16 2HB LEU 16 -2.934 2.907 1.192
122 HB3 LEU 16 1HB LEU 16 -1.878 3.416 2.483
123 HG LEU 16 HG LEU 16 -3.878 2.321 3.328
124 HD11 LEU 16 1HD1 LEU 16 -3.738 5.234 3.996
125 HD12 LEU 16 2HD1 LEU 16 -2.829 3.919 4.738
126 HD13 LEU 16 3HD1 LEU 16 -4.579 4.009 4.944
127 HD21 LEU 16 1HD2 LEU 16 -6.086 3.382 3.170
128 HD22 LEU 16 2HD2 LEU 16 -5.481 2.916 1.581
129 HD23 LEU 16 3HD2 LEU 16 -5.419 4.603 2.089
130 H CYS 17 H CYS 17 -1.653 4.351 -0.851
131 HA CYS 17 HA CYS 17 0.915 5.599 -0.209
132 HB2 CYS 17 2HB CYS 17 0.561 2.821 -1.330
133 HB3 CYS 17 1HB CYS 17 2.091 3.641 -1.052
134 H GLY 18 H GLY 18 1.887 6.556 -1.933
135 HA2 GLY 18 2HA GLY 18 1.020 5.910 -4.600
136 HA3 GLY 18 1HA GLY 18 0.651 7.533 -4.034
137 H ASP 19 H ASP 19 2.512 6.463 -6.114
138 HA ASP 19 HA ASP 19 4.257 7.269 -7.190
139 HB2 ASP 19 2HB ASP 19 3.785 9.356 -6.370
140 HB3 ASP 19 1HB ASP 19 4.487 9.053 -4.789
141 H LYS 20 H LYS 20 4.660 6.242 -4.061
142 HA LYS 20 HA LYS 20 7.462 5.497 -4.629
143 HB2 LYS 20 2HB LYS 20 6.307 5.919 -1.881
144 HB3 LYS 20 1HB LYS 20 8.006 5.798 -2.334
145 HG2 LYS 20 2HG LYS 20 7.785 7.849 -3.668
146 HG3 LYS 20 1HG LYS 20 6.112 7.983 -3.156
147 HD2 LYS 20 2HD LYS 20 6.961 8.030 -0.819
148 HD3 LYS 20 1HD LYS 20 8.589 8.221 -1.481
149 HE2 LYS 20 2HE LYS 20 6.235 10.088 -1.874
150 HE3 LYS 20 1HE LYS 20 7.724 10.434 -1.005
151 HZ1 LYS 20 1HZ LYS 20 7.746 11.450 -3.190
152 HZ2 LYS 20 2HZ LYS 20 7.467 9.997 -3.951
153 HZ3 LYS 20 3HZ LYS 20 8.925 10.256 -3.134
154 H CYS 21 H CYS 21 4.543 4.397 -2.910
155 HA CYS 21 HA CYS 21 5.490 1.655 -3.337
156 HB2 CYS 21 2HB CYS 21 3.936 2.624 -0.927
157 HB3 CYS 21 1HB CYS 21 4.557 1.011 -1.232
158 H THR 22 H THR 22 3.844 0.137 -3.679
159 HA THR 22 HA THR 22 1.134 1.173 -4.121
160 HB THR 22 HB THR 22 2.600 -0.964 -5.721
161 HG1 THR 22 1HG THR 22 3.433 0.913 -6.402
162 HG21 THR 22 1HG2 THR 22 0.646 -0.849 -7.227
163 HG22 THR 22 2HG2 THR 22 -0.110 0.323 -6.142
164 HG23 THR 22 3HG2 THR 22 0.176 -1.330 -5.593
165 H CYS 23 H CYS 23 -0.529 -0.421 -3.426
166 HA CYS 23 HA CYS 23 0.699 -2.380 -1.650
167 HB2 CYS 23 2HB CYS 23 -1.389 -2.349 -0.388
168 HB3 CYS 23 1HB CYS 23 -0.607 -0.775 -0.443
169 H VAL 24 H VAL 24 -0.067 -4.364 -1.387
170 HA VAL 24 HA VAL 24 -1.793 -5.328 -3.503
171 HB VAL 24 HB VAL 24 0.428 -6.295 -3.799
172 HG11 VAL 24 1HG1 VAL 24 1.350 -6.006 -1.582
173 HG12 VAL 24 2HG1 VAL 24 1.527 -7.683 -2.103
174 HG13 VAL 24 3HG1 VAL 24 0.270 -7.247 -0.945
175 HG21 VAL 24 1HG2 VAL 24 -1.453 -8.326 -2.594
176 HG22 VAL 24 2HG2 VAL 24 -0.084 -8.695 -3.643
177 HG23 VAL 24 3HG2 VAL 24 -1.448 -7.768 -4.268
178 HA PRO 25 HA PRO 25 -4.269 -6.063 0.137
179 HB2 PRO 25 2HB PRO 25 -6.619 -6.253 -1.147
180 HB3 PRO 25 1HB PRO 25 -5.811 -4.706 -0.892
181 HG2 PRO 25 2HG PRO 25 -6.053 -6.322 -3.369
182 HG3 PRO 25 1HG PRO 25 -5.929 -4.568 -3.165
183 HD2 PRO 25 2HD PRO 25 -3.849 -6.320 -3.881
184 HD3 PRO 25 1HD PRO 25 -3.701 -4.618 -3.401
185 H LEU 26 H LEU 26 -4.637 -7.985 1.157
186 HA LEU 26 HA LEU 26 -5.753 -10.129 -0.345
187 HB2 LEU 26 2HB LEU 26 -4.090 -11.832 0.241
188 HB3 LEU 26 1HB LEU 26 -3.418 -10.586 -0.778
189 HG LEU 26 HG LEU 26 -2.957 -10.697 2.208
190 HD11 LEU 26 1HD1 LEU 26 -2.124 -12.739 1.178
191 HD12 LEU 26 2HD1 LEU 26 -0.798 -11.693 1.684
192 HD13 LEU 26 3HD1 LEU 26 -1.245 -11.785 -0.019
193 HD21 LEU 26 1HD2 LEU 26 -1.457 -9.292 -0.007
194 HD22 LEU 26 2HD2 LEU 26 -1.025 -9.284 1.703
195 HD23 LEU 26 3HD2 LEU 26 -2.520 -8.518 1.169
196 HA PRO 27 HA PRO 27 -7.559 -10.680 -0.249
197 HB2 PRO 27 2HB PRO 27 -10.014 -10.221 1.231
198 HB3 PRO 27 1HB PRO 27 -9.539 -11.640 0.296
199 HG2 PRO 27 2HG PRO 27 -9.767 -11.692 2.991
200 HG3 PRO 27 1HG PRO 27 -8.595 -12.679 2.101
201 HD2 PRO 27 2HD PRO 27 -8.169 -10.112 3.567
202 HD3 PRO 27 1HD PRO 27 -7.174 -11.580 3.566
203 H ILE 28 H ILE 28 -8.727 -8.490 2.321
204 HA ILE 28 HA ILE 28 -9.192 -6.466 0.263
205 HB ILE 28 HB ILE 28 -10.139 -6.535 3.148
206 HG12 ILE 28 2HG1 ILE 28 -11.659 -6.911 0.556
207 HG13 ILE 28 1HG1 ILE 28 -11.224 -8.194 1.674
208 HG21 ILE 28 1HG2 ILE 28 -11.527 -4.592 2.533
209 HG22 ILE 28 2HG2 ILE 28 -10.733 -4.543 0.956
210 HG23 ILE 28 3HG2 ILE 28 -9.801 -4.244 2.418
211 HD11 ILE 28 1HD1 ILE 28 -13.532 -7.568 1.922
212 HD12 ILE 28 2HD1 ILE 28 -13.078 -5.893 2.241
213 HD13 ILE 28 3HD1 ILE 28 -12.639 -7.164 3.386
214 H PHE 29 H PHE 29 -7.752 -6.810 3.469
215 HA PHE 29 HA PHE 29 -6.317 -4.343 3.029
216 HB2 PHE 29 2HB PHE 29 -6.511 -6.112 5.477
217 HB3 PHE 29 1HB PHE 29 -5.573 -4.627 5.395
218 HD1 PHE 29 1HD PHE 29 -8.826 -6.066 5.945
219 HD2 PHE 29 2HD PHE 29 -6.790 -2.456 4.996
220 HE1 PHE 29 1HE PHE 29 -10.811 -4.780 6.589
221 HE2 PHE 29 2HE PHE 29 -8.781 -1.163 5.650
222 HZ PHE 29 HZ PHE 29 -10.795 -2.330 6.447
223 H GLY 30 H GLY 30 -4.216 -4.201 2.781
224 HA2 GLY 30 2HA GLY 30 -2.473 -6.481 3.112
225 HA3 GLY 30 1HA GLY 30 -2.627 -5.841 1.476
226 H LEU 31 H LEU 31 -0.191 -5.521 2.168
227 HA LEU 31 HA LEU 31 -0.018 -2.854 3.375
228 HB2 LEU 31 2HB LEU 31 2.050 -5.048 3.301
229 HB3 LEU 31 1HB LEU 31 2.369 -3.417 3.851
230 HG LEU 31 HG LEU 31 0.457 -5.365 5.144
231 HD11 LEU 31 1HD1 LEU 31 2.782 -6.001 5.457
232 HD12 LEU 31 2HD1 LEU 31 2.088 -5.406 6.965
233 HD13 LEU 31 3HD1 LEU 31 3.164 -4.375 6.023
234 HD21 LEU 31 1HD2 LEU 31 -0.299 -3.070 5.438
235 HD22 LEU 31 2HD2 LEU 31 1.310 -2.591 5.975
236 HD23 LEU 31 3HD2 LEU 31 0.347 -3.698 6.951
237 H CYS 32 H CYS 32 1.830 -1.552 2.571
238 HA CYS 32 HA CYS 32 1.774 -1.642 -0.306
239 HB2 CYS 32 2HB CYS 32 2.848 0.382 1.624
240 HB3 CYS 32 1HB CYS 32 2.912 0.550 -0.129
241 H VAL 33 H VAL 33 3.404 -2.082 -1.572
242 HA VAL 33 HA VAL 33 5.942 -2.760 -0.334
243 HB VAL 33 HB VAL 33 4.902 -4.696 -1.430
244 HG11 VAL 33 1HG1 VAL 33 4.822 -3.051 -3.946
245 HG12 VAL 33 2HG1 VAL 33 3.439 -3.599 -3.000
246 HG13 VAL 33 3HG1 VAL 33 4.457 -4.774 -3.837
247 HG21 VAL 33 1HG2 VAL 33 7.222 -3.625 -3.026
248 HG22 VAL 33 2HG2 VAL 33 6.664 -5.295 -3.045
249 HG23 VAL 33 3HG2 VAL 33 7.307 -4.604 -1.557
250 HA PRO 34 HA PRO 34 7.352 0.896 -2.326
251 HB2 PRO 34 2HB PRO 34 10.025 0.489 -2.044
252 HB3 PRO 34 1HB PRO 34 8.990 1.047 -0.726
253 HG2 PRO 34 2HG PRO 34 10.030 -1.699 -1.286
254 HG3 PRO 34 1HG PRO 34 9.852 -0.862 0.268
255 HD2 PRO 34 2HD PRO 34 8.103 -2.736 -0.616
256 HD3 PRO 34 1HD PRO 34 7.619 -1.384 0.431
257 H ASP 35 H ASP 35 7.385 1.190 -4.410
258 HA ASP 35 HA ASP 35 8.355 -0.862 -6.224
259 HB2 ASP 35 2HB ASP 35 7.275 1.914 -6.777
260 HB3 ASP 35 1HB ASP 35 7.644 0.706 -7.999
261 H VAL 36 H VAL 36 9.118 2.216 -4.985
262 HA VAL 36 HA VAL 36 11.301 2.723 -6.683
263 HB VAL 36 HB VAL 36 11.788 4.623 -5.138
264 HG11 VAL 36 1HG1 VAL 36 10.288 4.922 -7.009
265 HG12 VAL 36 2HG1 VAL 36 9.732 5.867 -5.623
266 HG13 VAL 36 3HG1 VAL 36 8.930 4.354 -6.037
267 HG21 VAL 36 1HG2 VAL 36 11.003 3.623 -3.025
268 HG22 VAL 36 2HG2 VAL 36 9.348 3.644 -3.634
269 HG23 VAL 36 3HG2 VAL 36 10.199 5.160 -3.346
Start of MODEL 5
1 H1 LEU 1 1HT LEU 1 14.972 8.897 2.780
2 H2 LEU 1 2HT LEU 1 16.406 8.312 2.144
3 H3 LEU 1 3HT LEU 1 15.204 7.254 2.709
4 HA LEU 1 HA LEU 1 14.793 9.074 0.438
5 HB2 LEU 1 2HB LEU 1 15.340 6.085 0.523
6 HB3 LEU 1 1HB LEU 1 14.509 6.832 -0.811
7 HG LEU 1 HG LEU 1 16.818 6.382 -1.368
8 HD11 LEU 1 1HD1 LEU 1 15.802 8.260 -2.435
9 HD12 LEU 1 2HD1 LEU 1 17.507 8.586 -2.133
10 HD13 LEU 1 3HD1 LEU 1 16.274 9.321 -1.112
11 HD21 LEU 1 1HD2 LEU 1 18.667 7.510 -0.308
12 HD22 LEU 1 2HD2 LEU 1 17.791 6.535 0.881
13 HD23 LEU 1 3HD2 LEU 1 17.575 8.284 0.835
14 HA PRO 2 HA PRO 2 10.436 8.653 1.144
15 HB2 PRO 2 2HB PRO 2 10.266 7.681 -1.673
16 HB3 PRO 2 1HB PRO 2 9.347 8.964 -0.873
17 HG2 PRO 2 2HG PRO 2 11.297 9.573 -2.558
18 HG3 PRO 2 1HG PRO 2 11.071 10.500 -1.064
19 HD2 PRO 2 2HD PRO 2 13.127 8.441 -1.721
20 HD3 PRO 2 1HD PRO 2 13.270 9.917 -0.744
21 H ARG 3 H ARG 3 9.195 7.142 1.943
22 HA ARG 3 HA ARG 3 9.733 4.326 1.305
23 HB2 ARG 3 2HB ARG 3 8.993 5.545 3.973
24 HB3 ARG 3 1HB ARG 3 9.306 3.852 3.644
25 HG2 ARG 3 2HG ARG 3 11.620 4.242 3.311
26 HG3 ARG 3 1HG ARG 3 11.384 5.991 3.302
27 HD2 ARG 3 2HD ARG 3 10.981 4.129 5.643
28 HD3 ARG 3 1HD ARG 3 12.286 5.303 5.440
29 HE ARG 3 HE ARG 3 9.450 6.118 5.615
30 HH11 ARG 3 1HH1 ARG 3 12.780 6.482 6.819
31 HH12 ARG 3 2HH1 ARG 3 12.410 7.863 7.736
32 HH21 ARG 3 1HH2 ARG 3 8.997 7.924 6.810
33 HH22 ARG 3 2HH2 ARG 3 10.206 8.737 7.726
34 H CYS 4 H CYS 4 7.690 3.196 2.612
35 HA CYS 4 HA CYS 4 5.347 4.215 1.264
36 HB2 CYS 4 2HB CYS 4 5.504 1.872 3.181
37 HB3 CYS 4 1HB CYS 4 4.327 2.154 1.908
38 H ASP 5 H ASP 5 6.277 3.280 4.560
39 HA ASP 5 HA ASP 5 5.622 3.837 6.638
40 HB2 ASP 5 2HB ASP 5 5.214 6.521 5.312
41 HB3 ASP 5 1HB ASP 5 5.049 6.281 7.052
42 H SER 6 H SER 6 3.692 2.834 4.717
43 HA SER 6 HA SER 6 1.159 4.002 5.268
44 HB2 SER 6 2HB SER 6 1.811 1.356 3.992
45 HB3 SER 6 1HB SER 6 0.384 2.360 3.736
46 HG SER 6 HG SER 6 1.718 3.922 2.747
47 HA PRO 7 HA PRO 7 0.633 1.453 8.956
48 HB2 PRO 7 2HB PRO 7 -1.920 2.245 9.522
49 HB3 PRO 7 1HB PRO 7 -0.504 3.210 9.926
50 HG2 PRO 7 2HG PRO 7 -2.426 3.536 7.676
51 HG3 PRO 7 1HG PRO 7 -1.579 4.766 8.623
52 HD2 PRO 7 2HD PRO 7 -0.852 3.970 6.098
53 HD3 PRO 7 1HD PRO 7 0.254 4.705 7.276
54 H PHE 8 H PHE 8 -1.472 1.532 6.183
55 HA PHE 8 HA PHE 8 -1.954 -1.263 6.168
56 HB2 PHE 8 2HB PHE 8 -4.389 -1.176 6.380
57 HB3 PHE 8 1HB PHE 8 -3.679 -0.530 7.852
58 HD1 PHE 8 1HD PHE 8 -5.812 0.125 4.994
59 HD2 PHE 8 2HD PHE 8 -3.776 1.932 8.261
60 HE1 PHE 8 1HE PHE 8 -7.205 2.124 4.744
61 HE2 PHE 8 2HE PHE 8 -5.163 3.943 8.009
62 HZ PHE 8 HZ PHE 8 -6.884 4.041 6.247
63 H CYS 9 H CYS 9 -3.697 -1.564 4.207
64 HA CYS 9 HA CYS 9 -4.150 0.581 2.495
65 HB2 CYS 9 2HB CYS 9 -1.645 0.258 2.132
66 HB3 CYS 9 1HB CYS 9 -2.016 -1.338 1.497
67 H SER 10 H SER 10 -5.165 -0.275 0.460
68 HA SER 10 HA SER 10 -5.902 -3.048 0.374
69 HB2 SER 10 2HB SER 10 -8.325 -2.569 0.574
70 HB3 SER 10 1HB SER 10 -7.485 -2.127 2.059
71 HG SER 10 HG SER 10 -8.670 -0.425 1.673
72 H LEU 11 H LEU 11 -7.696 -3.086 -1.608
73 HA LEU 11 HA LEU 11 -6.436 -1.603 -3.672
74 HB2 LEU 11 2HB LEU 11 -7.982 -2.590 -5.238
75 HB3 LEU 11 1HB LEU 11 -7.378 -3.827 -4.160
76 HG LEU 11 HG LEU 11 -10.057 -2.545 -3.742
77 HD11 LEU 11 1HD1 LEU 11 -10.011 -3.458 -6.028
78 HD12 LEU 11 2HD1 LEU 11 -11.029 -4.454 -4.988
79 HD13 LEU 11 3HD1 LEU 11 -9.402 -4.992 -5.409
80 HD21 LEU 11 1HD2 LEU 11 -10.551 -4.753 -2.708
81 HD22 LEU 11 2HD2 LEU 11 -9.329 -3.831 -1.870
82 HD23 LEU 11 3HD2 LEU 11 -8.851 -5.181 -2.914
83 H PHE 12 H PHE 12 -8.935 -1.088 -1.551
84 HA PHE 12 HA PHE 12 -10.268 0.924 -3.131
85 HB2 PHE 12 2HB PHE 12 -10.749 -0.015 -0.308
86 HB3 PHE 12 1HB PHE 12 -11.700 1.232 -1.099
87 HD1 PHE 12 1HD PHE 12 -12.524 0.430 -3.566
88 HD2 PHE 12 2HD PHE 12 -11.696 -2.108 -0.245
89 HE1 PHE 12 1HE PHE 12 -14.005 -1.289 -4.509
90 HE2 PHE 12 2HE PHE 12 -13.168 -3.825 -1.192
91 HZ PHE 12 HZ PHE 12 -14.324 -3.422 -3.327
92 H ARG 13 H ARG 13 -8.022 0.766 -0.435
93 HA ARG 13 HA ARG 13 -7.698 3.651 -0.728
94 HB2 ARG 13 2HB ARG 13 -7.598 2.034 1.821
95 HB3 ARG 13 1HB ARG 13 -6.802 3.591 1.691
96 HG2 ARG 13 2HG ARG 13 -8.893 3.954 2.761
97 HG3 ARG 13 1HG ARG 13 -9.053 4.578 1.121
98 HD2 ARG 13 2HD ARG 13 -10.108 2.411 0.493
99 HD3 ARG 13 1HD ARG 13 -10.057 1.967 2.195
100 HE ARG 13 HE ARG 13 -11.387 4.446 1.528
101 HH11 ARG 13 1HH1 ARG 13 -11.697 1.033 2.417
102 HH12 ARG 13 2HH1 ARG 13 -13.374 1.112 2.683
103 HH21 ARG 13 1HH2 ARG 13 -13.732 4.546 1.898
104 HH22 ARG 13 2HH2 ARG 13 -14.555 3.147 2.380
105 H ILE 14 H ILE 14 -6.178 3.436 -2.259
106 HA ILE 14 HA ILE 14 -3.734 1.998 -1.546
107 HB ILE 14 HB ILE 14 -2.988 2.450 -3.867
108 HG12 ILE 14 2HG1 ILE 14 -5.757 3.607 -4.272
109 HG13 ILE 14 1HG1 ILE 14 -4.267 4.547 -4.236
110 HG21 ILE 14 1HG2 ILE 14 -5.682 1.124 -3.665
111 HG22 ILE 14 2HG2 ILE 14 -4.119 0.372 -3.357
112 HG23 ILE 14 3HG2 ILE 14 -4.528 0.918 -4.981
113 HD11 ILE 14 1HD1 ILE 14 -3.502 3.363 -6.242
114 HD12 ILE 14 2HD1 ILE 14 -5.041 4.183 -6.511
115 HD13 ILE 14 3HD1 ILE 14 -5.003 2.438 -6.259
116 H GLY 15 H GLY 15 -5.002 5.017 -1.221
117 HA2 GLY 15 2HA GLY 15 -2.918 6.738 -1.994
118 HA3 GLY 15 1HA GLY 15 -4.185 7.113 -0.837
119 H LEU 16 H LEU 16 -3.213 4.674 0.685
120 HA LEU 16 HA LEU 16 -1.518 6.017 2.511
121 HB2 LEU 16 2HB LEU 16 -2.098 3.063 2.208
122 HB3 LEU 16 1HB LEU 16 -1.169 3.750 3.515
123 HG LEU 16 HG LEU 16 -3.323 3.231 4.342
124 HD11 LEU 16 1HD1 LEU 16 -4.157 5.347 5.134
125 HD12 LEU 16 2HD1 LEU 16 -3.181 6.185 3.932
126 HD13 LEU 16 3HD1 LEU 16 -2.396 5.255 5.215
127 HD21 LEU 16 1HD2 LEU 16 -4.582 3.130 2.267
128 HD22 LEU 16 2HD2 LEU 16 -4.508 4.889 2.120
129 HD23 LEU 16 3HD2 LEU 16 -5.403 4.150 3.450
130 H CYS 17 H CYS 17 -0.930 3.768 -0.117
131 HA CYS 17 HA CYS 17 1.902 3.624 0.424
132 HB2 CYS 17 2HB CYS 17 0.235 2.600 -1.866
133 HB3 CYS 17 1HB CYS 17 1.956 2.279 -1.694
134 H GLY 18 H GLY 18 -0.277 5.444 -1.457
135 HA2 GLY 18 2HA GLY 18 -0.100 7.300 -2.761
136 HA3 GLY 18 1HA GLY 18 1.160 7.721 -1.623
137 H ASP 19 H ASP 19 0.910 5.414 -4.336
138 HA ASP 19 HA ASP 19 1.872 5.268 -6.353
139 HB2 ASP 19 2HB ASP 19 1.377 7.564 -6.572
140 HB3 ASP 19 1HB ASP 19 2.843 8.059 -5.748
141 H LYS 20 H LYS 20 3.733 5.935 -3.678
142 HA LYS 20 HA LYS 20 6.314 5.389 -4.856
143 HB2 LYS 20 2HB LYS 20 5.468 5.730 -2.009
144 HB3 LYS 20 1HB LYS 20 7.141 5.516 -2.525
145 HG2 LYS 20 2HG LYS 20 6.995 7.512 -3.886
146 HG3 LYS 20 1HG LYS 20 5.310 7.711 -3.418
147 HD2 LYS 20 2HD LYS 20 7.615 7.704 -1.483
148 HD3 LYS 20 1HD LYS 20 6.885 9.143 -2.212
149 HE2 LYS 20 2HE LYS 20 5.422 7.116 -0.496
150 HE3 LYS 20 1HE LYS 20 6.011 8.677 0.062
151 HZ1 LYS 20 1HZ LYS 20 3.968 8.315 -2.090
152 HZ2 LYS 20 2HZ LYS 20 4.537 9.773 -1.493
153 HZ3 LYS 20 3HZ LYS 20 3.668 8.737 -0.483
154 H CYS 21 H CYS 21 3.881 3.681 -3.139
155 HA CYS 21 HA CYS 21 5.427 1.248 -3.479
156 HB2 CYS 21 2HB CYS 21 3.840 1.900 -0.986
157 HB3 CYS 21 1HB CYS 21 4.736 0.435 -1.315
158 H THR 22 H THR 22 3.918 -0.686 -3.146
159 HA THR 22 HA THR 22 1.319 -0.040 -4.239
160 HB THR 22 HB THR 22 3.225 -2.190 -5.246
161 HG1 THR 22 1HG THR 22 3.747 -0.766 -6.764
162 HG21 THR 22 1HG2 THR 22 0.433 -1.471 -6.185
163 HG22 THR 22 2HG2 THR 22 0.868 -2.933 -5.303
164 HG23 THR 22 3HG2 THR 22 1.489 -2.668 -6.933
165 H CYS 23 H CYS 23 -0.179 -1.001 -2.975
166 HA CYS 23 HA CYS 23 0.769 -3.090 -1.221
167 HB2 CYS 23 2HB CYS 23 -1.367 -2.822 -0.022
168 HB3 CYS 23 1HB CYS 23 -0.419 -1.345 -0.088
169 H VAL 24 H VAL 24 0.080 -5.073 -1.186
170 HA VAL 24 HA VAL 24 -1.413 -5.945 -3.538
171 HB VAL 24 HB VAL 24 0.138 -7.642 -1.557
172 HG11 VAL 24 1HG1 VAL 24 -0.938 -8.278 -4.302
173 HG12 VAL 24 2HG1 VAL 24 -1.563 -8.879 -2.767
174 HG13 VAL 24 3HG1 VAL 24 0.045 -9.358 -3.312
175 HG21 VAL 24 1HG2 VAL 24 1.022 -6.610 -4.253
176 HG22 VAL 24 2HG2 VAL 24 1.911 -7.766 -3.258
177 HG23 VAL 24 3HG2 VAL 24 1.668 -6.115 -2.689
178 HA PRO 25 HA PRO 25 -4.650 -6.389 -0.393
179 HB2 PRO 25 2HB PRO 25 -6.544 -6.588 -2.538
180 HB3 PRO 25 1HB PRO 25 -6.283 -5.234 -1.439
181 HG2 PRO 25 2HG PRO 25 -5.733 -5.189 -4.146
182 HG3 PRO 25 1HG PRO 25 -5.000 -4.109 -2.947
183 HD2 PRO 25 2HD PRO 25 -3.901 -6.566 -4.228
184 HD3 PRO 25 1HD PRO 25 -3.097 -5.045 -3.766
185 H LEU 26 H LEU 26 -5.169 -8.306 0.483
186 HA LEU 26 HA LEU 26 -5.814 -10.431 -1.343
187 HB2 LEU 26 2HB LEU 26 -4.560 -12.127 -0.086
188 HB3 LEU 26 1HB LEU 26 -3.527 -10.935 -0.826
189 HG LEU 26 HG LEU 26 -4.225 -10.958 2.116
190 HD11 LEU 26 1HD1 LEU 26 -1.807 -12.077 0.695
191 HD12 LEU 26 2HD1 LEU 26 -3.055 -13.013 1.515
192 HD13 LEU 26 3HD1 LEU 26 -1.996 -11.951 2.442
193 HD21 LEU 26 1HD2 LEU 26 -2.252 -9.522 2.341
194 HD22 LEU 26 2HD2 LEU 26 -3.433 -8.796 1.245
195 HD23 LEU 26 3HD2 LEU 26 -1.997 -9.588 0.596
196 HA PRO 27 HA PRO 27 -7.502 -10.303 -2.012
197 HB2 PRO 27 2HB PRO 27 -10.337 -10.222 -1.836
198 HB3 PRO 27 1HB PRO 27 -9.345 -11.551 -2.440
199 HG2 PRO 27 2HG PRO 27 -10.905 -11.669 -0.157
200 HG3 PRO 27 1HG PRO 27 -9.511 -12.712 -0.486
201 HD2 PRO 27 2HD PRO 27 -9.692 -10.255 1.196
202 HD3 PRO 27 1HD PRO 27 -8.825 -11.774 1.516
203 H ILE 28 H ILE 28 -8.955 -8.567 0.639
204 HA ILE 28 HA ILE 28 -9.490 -6.282 -1.136
205 HB ILE 28 HB ILE 28 -10.619 -6.816 1.621
206 HG12 ILE 28 2HG1 ILE 28 -11.564 -8.363 -0.036
207 HG13 ILE 28 1HG1 ILE 28 -12.771 -7.203 0.490
208 HG21 ILE 28 1HG2 ILE 28 -10.412 -4.449 1.220
209 HG22 ILE 28 2HG2 ILE 28 -12.121 -4.898 1.146
210 HG23 ILE 28 3HG2 ILE 28 -11.206 -4.609 -0.339
211 HD11 ILE 28 1HD1 ILE 28 -12.929 -7.608 -1.897
212 HD12 ILE 28 2HD1 ILE 28 -11.244 -7.144 -2.111
213 HD13 ILE 28 3HD1 ILE 28 -12.431 -5.942 -1.600
214 H PHE 29 H PHE 29 -8.494 -6.983 2.171
215 HA PHE 29 HA PHE 29 -7.057 -4.475 2.355
216 HB2 PHE 29 2HB PHE 29 -8.475 -5.399 4.217
217 HB3 PHE 29 1HB PHE 29 -7.360 -6.748 4.335
218 HD1 PHE 29 1HD PHE 29 -5.196 -6.480 5.372
219 HD2 PHE 29 2HD PHE 29 -7.852 -3.185 4.954
220 HE1 PHE 29 1HE PHE 29 -3.858 -5.207 6.977
221 HE2 PHE 29 2HE PHE 29 -6.515 -1.906 6.567
222 HZ PHE 29 HZ PHE 29 -4.513 -2.920 7.581
223 H GLY 30 H GLY 30 -4.728 -4.425 2.609
224 HA2 GLY 30 2HA GLY 30 -3.403 -6.977 2.305
225 HA3 GLY 30 1HA GLY 30 -3.222 -5.843 0.977
226 H LEU 31 H LEU 31 -1.022 -6.239 1.569
227 HA LEU 31 HA LEU 31 -0.104 -4.503 3.743
228 HB2 LEU 31 2HB LEU 31 1.995 -5.829 3.672
229 HB3 LEU 31 1HB LEU 31 0.599 -6.784 4.109
230 HG LEU 31 HG LEU 31 0.607 -7.497 1.597
231 HD11 LEU 31 1HD1 LEU 31 2.258 -5.943 0.771
232 HD12 LEU 31 2HD1 LEU 31 2.807 -7.606 0.559
233 HD13 LEU 31 3HD1 LEU 31 3.470 -6.617 1.860
234 HD21 LEU 31 1HD2 LEU 31 2.137 -9.337 2.099
235 HD22 LEU 31 2HD2 LEU 31 1.011 -9.018 3.415
236 HD23 LEU 31 3HD2 LEU 31 2.687 -8.477 3.538
237 H CYS 32 H CYS 32 1.652 -3.064 3.237
238 HA CYS 32 HA CYS 32 1.596 -2.367 0.409
239 HB2 CYS 32 2HB CYS 32 0.942 -0.652 2.146
240 HB3 CYS 32 1HB CYS 32 2.612 -0.707 2.715
241 H VAL 33 H VAL 33 3.291 -2.860 -0.798
242 HA VAL 33 HA VAL 33 5.783 -3.366 0.602
243 HB VAL 33 HB VAL 33 4.874 -5.433 -0.406
244 HG11 VAL 33 1HG1 VAL 33 4.989 -4.020 -3.046
245 HG12 VAL 33 2HG1 VAL 33 3.540 -4.535 -2.184
246 HG13 VAL 33 3HG1 VAL 33 4.668 -5.739 -2.814
247 HG21 VAL 33 1HG2 VAL 33 7.277 -5.275 -0.332
248 HG22 VAL 33 2HG2 VAL 33 7.295 -4.428 -1.879
249 HG23 VAL 33 3HG2 VAL 33 6.786 -6.116 -1.803
250 HA PRO 34 HA PRO 34 7.388 0.245 -1.367
251 HB2 PRO 34 2HB PRO 34 10.020 -0.627 -1.574
252 HB3 PRO 34 1HB PRO 34 9.316 0.167 -0.160
253 HG2 PRO 34 2HG PRO 34 9.704 -2.735 -0.711
254 HG3 PRO 34 1HG PRO 34 9.953 -1.849 0.809
255 HD2 PRO 34 2HD PRO 34 7.804 -3.340 0.465
256 HD3 PRO 34 1HD PRO 34 7.661 -1.747 1.246
257 H ASP 35 H ASP 35 7.107 0.703 -3.351
258 HA ASP 35 HA ASP 35 7.412 -1.317 -5.427
259 HB2 ASP 35 2HB ASP 35 5.322 0.019 -5.324
260 HB3 ASP 35 1HB ASP 35 6.264 1.481 -5.583
261 H VAL 36 H VAL 36 8.596 1.778 -4.412
262 HA VAL 36 HA VAL 36 10.373 2.097 -6.565
263 HB VAL 36 HB VAL 36 11.458 3.888 -5.142
264 HG11 VAL 36 1HG1 VAL 36 8.466 4.025 -5.486
265 HG12 VAL 36 2HG1 VAL 36 9.688 4.459 -6.687
266 HG13 VAL 36 3HG1 VAL 36 9.522 5.408 -5.212
267 HG21 VAL 36 1HG2 VAL 36 10.977 2.978 -2.921
268 HG22 VAL 36 2HG2 VAL 36 9.247 3.191 -3.191
269 HG23 VAL 36 3HG2 VAL 36 10.301 4.599 -3.080
Start of MODEL 6
1 H1 LEU 1 1HT LEU 1 14.817 5.202 -1.835
2 H2 LEU 1 2HT LEU 1 16.038 4.069 -1.604
3 H3 LEU 1 3HT LEU 1 15.514 5.048 -0.319
4 HA LEU 1 HA LEU 1 13.895 3.024 -1.685
5 HB2 LEU 1 2HB LEU 1 15.067 3.075 1.095
6 HB3 LEU 1 1HB LEU 1 14.031 1.824 0.432
7 HG LEU 1 HG LEU 1 16.643 2.551 -0.750
8 HD11 LEU 1 1HD1 LEU 1 17.032 1.764 1.567
9 HD12 LEU 1 2HD1 LEU 1 17.566 0.526 0.430
10 HD13 LEU 1 3HD1 LEU 1 16.022 0.351 1.264
11 HD21 LEU 1 1HD2 LEU 1 15.220 1.351 -2.245
12 HD22 LEU 1 2HD2 LEU 1 14.910 0.111 -1.029
13 HD23 LEU 1 3HD2 LEU 1 16.521 0.277 -1.729
14 HA PRO 2 HA PRO 2 10.888 6.090 -0.231
15 HB2 PRO 2 2HB PRO 2 9.056 4.135 -1.484
16 HB3 PRO 2 1HB PRO 2 9.230 5.862 -1.802
17 HG2 PRO 2 2HG PRO 2 10.108 4.068 -3.565
18 HG3 PRO 2 1HG PRO 2 11.024 5.554 -3.248
19 HD2 PRO 2 2HD PRO 2 11.509 2.783 -2.189
20 HD3 PRO 2 1HD PRO 2 12.694 3.944 -2.816
21 H ARG 3 H ARG 3 9.663 6.179 1.496
22 HA ARG 3 HA ARG 3 8.986 3.675 2.818
23 HB2 ARG 3 2HB ARG 3 10.265 6.088 4.121
24 HB3 ARG 3 1HB ARG 3 9.591 4.717 4.987
25 HG2 ARG 3 2HG ARG 3 11.947 4.654 3.106
26 HG3 ARG 3 1HG ARG 3 12.005 4.533 4.868
27 HD2 ARG 3 2HD ARG 3 10.715 2.467 4.771
28 HD3 ARG 3 1HD ARG 3 10.616 2.594 3.023
29 HE ARG 3 HE ARG 3 13.141 2.257 4.470
30 HH11 ARG 3 1HH1 ARG 3 11.148 1.657 1.600
31 HH12 ARG 3 2HH1 ARG 3 12.111 0.354 1.051
32 HH21 ARG 3 1HH2 ARG 3 14.457 0.490 3.663
33 HH22 ARG 3 2HH2 ARG 3 14.009 -0.312 2.224
34 H CYS 4 H CYS 4 7.018 3.579 3.405
35 HA CYS 4 HA CYS 4 5.478 6.054 3.784
36 HB2 CYS 4 2HB CYS 4 4.454 3.529 2.463
37 HB3 CYS 4 1HB CYS 4 3.568 5.036 2.676
38 H ASP 5 H ASP 5 5.534 2.521 4.254
39 HA ASP 5 HA ASP 5 5.048 1.161 5.951
40 HB2 ASP 5 2HB ASP 5 5.668 3.629 7.559
41 HB3 ASP 5 1HB ASP 5 5.390 2.054 8.292
42 H SER 6 H SER 6 2.854 2.985 4.821
43 HA SER 6 HA SER 6 0.899 3.528 6.660
44 HB2 SER 6 2HB SER 6 0.481 2.398 3.879
45 HB3 SER 6 1HB SER 6 -0.631 3.430 4.782
46 HG SER 6 HG SER 6 0.478 4.706 3.351
47 HA PRO 7 HA PRO 7 0.278 -0.478 8.400
48 HB2 PRO 7 2HB PRO 7 -2.109 -0.004 9.672
49 HB3 PRO 7 1HB PRO 7 -0.535 0.502 10.293
50 HG2 PRO 7 2HG PRO 7 -2.596 2.088 8.826
51 HG3 PRO 7 1HG PRO 7 -1.565 2.574 10.182
52 HD2 PRO 7 2HD PRO 7 -1.066 3.287 7.613
53 HD3 PRO 7 1HD PRO 7 0.231 3.036 8.806
54 H PHE 8 H PHE 8 -2.551 0.969 6.814
55 HA PHE 8 HA PHE 8 -3.177 -1.675 5.774
56 HB2 PHE 8 2HB PHE 8 -5.168 0.253 6.993
57 HB3 PHE 8 1HB PHE 8 -5.610 -1.154 6.041
58 HD1 PHE 8 1HD PHE 8 -5.102 -3.430 6.917
59 HD2 PHE 8 2HD PHE 8 -4.592 0.073 9.284
60 HE1 PHE 8 1HE PHE 8 -5.072 -4.811 8.950
61 HE2 PHE 8 2HE PHE 8 -4.556 -1.303 11.314
62 HZ PHE 8 HZ PHE 8 -4.797 -3.749 11.152
63 H CYS 9 H CYS 9 -3.984 -1.687 3.765
64 HA CYS 9 HA CYS 9 -4.877 0.657 2.429
65 HB2 CYS 9 2HB CYS 9 -2.353 0.748 2.210
66 HB3 CYS 9 1HB CYS 9 -2.417 -0.836 1.444
67 H SER 10 H SER 10 -5.627 -0.169 0.207
68 HA SER 10 HA SER 10 -6.065 -3.038 0.115
69 HB2 SER 10 2HB SER 10 -8.371 -1.092 0.364
70 HB3 SER 10 1HB SER 10 -8.505 -2.828 0.090
71 HG SER 10 HG SER 10 -6.995 -2.616 2.146
72 H LEU 11 H LEU 11 -7.611 -3.430 -1.892
73 HA LEU 11 HA LEU 11 -6.529 -1.931 -4.032
74 HB2 LEU 11 2HB LEU 11 -7.807 -3.353 -5.531
75 HB3 LEU 11 1HB LEU 11 -7.009 -4.319 -4.318
76 HG LEU 11 HG LEU 11 -9.923 -3.594 -4.131
77 HD11 LEU 11 1HD1 LEU 11 -8.658 -6.027 -5.406
78 HD12 LEU 11 2HD1 LEU 11 -9.563 -4.767 -6.244
79 HD13 LEU 11 3HD1 LEU 11 -10.380 -5.828 -5.095
80 HD21 LEU 11 1HD2 LEU 11 -9.107 -4.443 -2.037
81 HD22 LEU 11 2HD2 LEU 11 -8.225 -5.735 -2.850
82 HD23 LEU 11 3HD2 LEU 11 -9.984 -5.754 -2.820
83 H PHE 12 H PHE 12 -9.290 -1.770 -2.089
84 HA PHE 12 HA PHE 12 -10.867 -0.086 -3.818
85 HB2 PHE 12 2HB PHE 12 -11.160 -0.545 -0.839
86 HB3 PHE 12 1HB PHE 12 -12.385 0.099 -1.917
87 HD1 PHE 12 1HD PHE 12 -11.781 -2.605 -0.047
88 HD2 PHE 12 2HD PHE 12 -12.493 -1.688 -4.136
89 HE1 PHE 12 1HE PHE 12 -12.600 -4.889 -0.417
90 HE2 PHE 12 2HE PHE 12 -13.314 -3.969 -4.504
91 HZ PHE 12 HZ PHE 12 -13.369 -5.576 -2.640
92 H ARG 13 H ARG 13 -8.885 0.277 -0.949
93 HA ARG 13 HA ARG 13 -8.690 3.202 -1.368
94 HB2 ARG 13 2HB ARG 13 -8.347 1.564 1.151
95 HB3 ARG 13 1HB ARG 13 -8.092 3.289 1.022
96 HG2 ARG 13 2HG ARG 13 -10.724 1.860 0.669
97 HG3 ARG 13 1HG ARG 13 -10.215 2.758 2.098
98 HD2 ARG 13 2HD ARG 13 -10.032 4.793 0.668
99 HD3 ARG 13 1HD ARG 13 -10.715 3.861 -0.662
100 HE ARG 13 HE ARG 13 -12.405 3.600 1.504
101 HH11 ARG 13 1HH1 ARG 13 -11.359 6.118 -0.747
102 HH12 ARG 13 2HH1 ARG 13 -12.732 7.100 -0.525
103 HH21 ARG 13 1HH2 ARG 13 -14.328 4.995 1.800
104 HH22 ARG 13 2HH2 ARG 13 -14.430 6.448 0.908
105 H ILE 14 H ILE 14 -7.129 3.047 -2.861
106 HA ILE 14 HA ILE 14 -4.609 1.811 -2.044
107 HB ILE 14 HB ILE 14 -3.833 2.446 -4.373
108 HG12 ILE 14 2HG1 ILE 14 -6.764 3.047 -4.817
109 HG13 ILE 14 1HG1 ILE 14 -5.482 4.250 -4.765
110 HG21 ILE 14 1HG2 ILE 14 -5.038 0.649 -5.522
111 HG22 ILE 14 2HG2 ILE 14 -6.208 0.609 -4.204
112 HG23 ILE 14 3HG2 ILE 14 -4.525 0.185 -3.899
113 HD11 ILE 14 1HD1 ILE 14 -4.488 3.243 -6.763
114 HD12 ILE 14 2HD1 ILE 14 -6.152 3.752 -7.046
115 HD13 ILE 14 3HD1 ILE 14 -5.783 2.045 -6.795
116 H GLY 15 H GLY 15 -6.182 4.636 -1.721
117 HA2 GLY 15 2HA GLY 15 -4.140 6.523 -2.347
118 HA3 GLY 15 1HA GLY 15 -5.652 6.853 -1.521
119 H LEU 16 H LEU 16 -4.166 4.369 0.032
120 HA LEU 16 HA LEU 16 -3.134 6.085 2.111
121 HB2 LEU 16 2HB LEU 16 -3.123 3.091 1.814
122 HB3 LEU 16 1HB LEU 16 -2.423 3.907 3.197
123 HG LEU 16 HG LEU 16 -4.506 3.086 3.892
124 HD11 LEU 16 1HD1 LEU 16 -4.930 5.985 3.258
125 HD12 LEU 16 2HD1 LEU 16 -4.091 5.321 4.658
126 HD13 LEU 16 3HD1 LEU 16 -5.817 5.036 4.451
127 HD21 LEU 16 1HD2 LEU 16 -5.759 4.326 1.458
128 HD22 LEU 16 2HD2 LEU 16 -6.614 3.459 2.737
129 HD23 LEU 16 3HD2 LEU 16 -5.466 2.610 1.706
130 H CYS 17 H CYS 17 -1.923 4.763 -0.729
131 HA CYS 17 HA CYS 17 0.819 5.435 0.066
132 HB2 CYS 17 2HB CYS 17 0.067 3.090 -1.699
133 HB3 CYS 17 1HB CYS 17 1.675 3.521 -1.143
134 H GLY 18 H GLY 18 1.181 7.244 -1.155
135 HA2 GLY 18 2HA GLY 18 0.040 7.273 -3.860
136 HA3 GLY 18 1HA GLY 18 0.288 8.699 -2.873
137 H ASP 19 H ASP 19 1.663 6.454 -5.039
138 HA ASP 19 HA ASP 19 3.208 6.627 -6.615
139 HB2 ASP 19 2HB ASP 19 2.618 8.991 -6.596
140 HB3 ASP 19 1HB ASP 19 3.953 9.319 -5.496
141 H LYS 20 H LYS 20 4.075 7.268 -3.470
142 HA LYS 20 HA LYS 20 6.892 6.718 -3.794
143 HB2 LYS 20 2HB LYS 20 5.176 6.956 -1.334
144 HB3 LYS 20 1HB LYS 20 6.918 6.724 -1.297
145 HG2 LYS 20 2HG LYS 20 5.588 9.018 -2.693
146 HG3 LYS 20 1HG LYS 20 6.118 9.088 -1.017
147 HD2 LYS 20 2HD LYS 20 8.429 8.540 -1.779
148 HD3 LYS 20 1HD LYS 20 7.852 8.533 -3.440
149 HE2 LYS 20 2HE LYS 20 7.721 10.911 -1.596
150 HE3 LYS 20 1HE LYS 20 8.994 10.633 -2.779
151 HZ1 LYS 20 1HZ LYS 20 7.333 12.124 -3.615
152 HZ2 LYS 20 2HZ LYS 20 6.101 11.010 -3.409
153 HZ3 LYS 20 3HZ LYS 20 7.334 10.729 -4.536
154 H CYS 21 H CYS 21 4.178 4.961 -2.387
155 HA CYS 21 HA CYS 21 5.708 2.500 -2.789
156 HB2 CYS 21 2HB CYS 21 3.888 3.018 -0.436
157 HB3 CYS 21 1HB CYS 21 4.965 1.651 -0.680
158 H THR 22 H THR 22 4.071 0.603 -2.647
159 HA THR 22 HA THR 22 1.463 1.405 -3.638
160 HB THR 22 HB THR 22 3.231 -0.784 -4.811
161 HG1 THR 22 1HG THR 22 4.055 0.910 -5.772
162 HG21 THR 22 1HG2 THR 22 1.482 -0.981 -6.523
163 HG22 THR 22 2HG2 THR 22 0.540 0.274 -5.717
164 HG23 THR 22 3HG2 THR 22 0.811 -1.276 -4.918
165 H CYS 23 H CYS 23 -0.139 -0.078 -2.872
166 HA CYS 23 HA CYS 23 0.974 -1.840 -0.869
167 HB2 CYS 23 2HB CYS 23 -1.309 -1.952 0.069
168 HB3 CYS 23 1HB CYS 23 -0.603 -0.343 0.087
169 H VAL 24 H VAL 24 0.472 -3.916 -0.678
170 HA VAL 24 HA VAL 24 -0.677 -5.098 -3.070
171 HB VAL 24 HB VAL 24 1.632 -5.781 -2.850
172 HG11 VAL 24 1HG1 VAL 24 1.003 -6.717 -0.060
173 HG12 VAL 24 2HG1 VAL 24 2.018 -5.346 -0.507
174 HG13 VAL 24 3HG1 VAL 24 2.521 -6.986 -0.917
175 HG21 VAL 24 1HG2 VAL 24 0.129 -7.505 -3.647
176 HG22 VAL 24 2HG2 VAL 24 -0.180 -8.033 -1.992
177 HG23 VAL 24 3HG2 VAL 24 1.428 -8.226 -2.695
178 HA PRO 25 HA PRO 25 -3.926 -5.959 -0.050
179 HB2 PRO 25 2HB PRO 25 -5.522 -6.566 -2.420
180 HB3 PRO 25 1HB PRO 25 -5.747 -5.293 -1.215
181 HG2 PRO 25 2HG PRO 25 -4.992 -4.771 -3.764
182 HG3 PRO 25 1HG PRO 25 -4.489 -3.774 -2.388
183 HD2 PRO 25 2HD PRO 25 -2.977 -5.894 -3.851
184 HD3 PRO 25 1HD PRO 25 -2.439 -4.307 -3.246
185 H LEU 26 H LEU 26 -4.159 -7.934 0.887
186 HA LEU 26 HA LEU 26 -4.323 -10.210 -0.887
187 HB2 LEU 26 2HB LEU 26 -2.855 -11.602 0.500
188 HB3 LEU 26 1HB LEU 26 -2.008 -10.251 -0.206
189 HG LEU 26 HG LEU 26 -2.927 -10.272 2.679
190 HD11 LEU 26 1HD1 LEU 26 -1.442 -12.162 2.303
191 HD12 LEU 26 2HD1 LEU 26 -0.634 -10.909 3.249
192 HD13 LEU 26 3HD1 LEU 26 -0.271 -11.094 1.532
193 HD21 LEU 26 1HD2 LEU 26 -2.367 -8.076 1.737
194 HD22 LEU 26 2HD2 LEU 26 -0.785 -8.688 1.253
195 HD23 LEU 26 3HD2 LEU 26 -1.202 -8.571 2.965
196 HA PRO 27 HA PRO 27 -6.031 -10.348 -1.594
197 HB2 PRO 27 2HB PRO 27 -8.858 -10.687 -1.473
198 HB3 PRO 27 1HB PRO 27 -7.665 -11.843 -2.059
199 HG2 PRO 27 2HG PRO 27 -9.222 -12.211 0.175
200 HG3 PRO 27 1HG PRO 27 -7.673 -13.019 -0.122
201 HD2 PRO 27 2HD PRO 27 -8.273 -10.626 1.565
202 HD3 PRO 27 1HD PRO 27 -7.181 -11.988 1.900
203 H ILE 28 H ILE 28 -7.708 -8.817 1.005
204 HA ILE 28 HA ILE 28 -8.589 -6.651 -0.774
205 HB ILE 28 HB ILE 28 -9.604 -7.345 1.996
206 HG12 ILE 28 2HG1 ILE 28 -10.952 -7.547 -0.712
207 HG13 ILE 28 1HG1 ILE 28 -10.343 -8.905 0.224
208 HG21 ILE 28 1HG2 ILE 28 -9.655 -4.947 1.660
209 HG22 ILE 28 2HG2 ILE 28 -11.300 -5.581 1.583
210 HG23 ILE 28 3HG2 ILE 28 -10.443 -5.151 0.100
211 HD11 ILE 28 1HD1 ILE 28 -12.755 -8.700 0.413
212 HD12 ILE 28 2HD1 ILE 28 -12.581 -7.059 1.033
213 HD13 ILE 28 3HD1 ILE 28 -11.982 -8.423 1.974
214 H PHE 29 H PHE 29 -7.441 -7.087 2.556
215 HA PHE 29 HA PHE 29 -6.301 -4.422 2.484
216 HB2 PHE 29 2HB PHE 29 -6.524 -6.452 4.725
217 HB3 PHE 29 1HB PHE 29 -5.782 -4.868 4.892
218 HD1 PHE 29 1HD PHE 29 -7.129 -2.876 5.047
219 HD2 PHE 29 2HD PHE 29 -8.949 -6.684 4.462
220 HE1 PHE 29 1HE PHE 29 -9.317 -1.916 5.612
221 HE2 PHE 29 2HE PHE 29 -11.135 -5.727 5.020
222 HZ PHE 29 HZ PHE 29 -11.326 -3.337 5.597
223 H GLY 30 H GLY 30 -4.115 -4.048 2.695
224 HA2 GLY 30 2HA GLY 30 -2.312 -6.279 2.971
225 HA3 GLY 30 1HA GLY 30 -2.298 -5.481 1.401
226 H LEU 31 H LEU 31 -0.038 -5.405 2.469
227 HA LEU 31 HA LEU 31 0.212 -3.074 4.167
228 HB2 LEU 31 2HB LEU 31 2.608 -3.770 4.390
229 HB3 LEU 31 1HB LEU 31 1.452 -4.920 5.006
230 HG LEU 31 HG LEU 31 1.805 -6.205 2.815
231 HD11 LEU 31 1HD1 LEU 31 3.929 -5.878 1.680
232 HD12 LEU 31 2HD1 LEU 31 4.239 -4.445 2.661
233 HD13 LEU 31 3HD1 LEU 31 2.890 -4.460 1.524
234 HD21 LEU 31 1HD2 LEU 31 4.081 -5.928 4.761
235 HD22 LEU 31 2HD2 LEU 31 3.815 -7.287 3.668
236 HD23 LEU 31 3HD2 LEU 31 2.653 -6.945 4.950
237 H CYS 32 H CYS 32 2.089 -1.626 3.655
238 HA CYS 32 HA CYS 32 1.812 -0.858 0.844
239 HB2 CYS 32 2HB CYS 32 1.061 0.691 2.694
240 HB3 CYS 32 1HB CYS 32 2.754 0.803 3.178
241 H VAL 33 H VAL 33 3.538 -1.422 -0.352
242 HA VAL 33 HA VAL 33 6.122 -1.554 1.000
243 HB VAL 33 HB VAL 33 5.218 -3.811 0.609
244 HG11 VAL 33 1HG1 VAL 33 4.904 -4.717 -1.642
245 HG12 VAL 33 2HG1 VAL 33 5.156 -3.105 -2.312
246 HG13 VAL 33 3HG1 VAL 33 3.770 -3.418 -1.268
247 HG21 VAL 33 1HG2 VAL 33 7.103 -4.786 -0.656
248 HG22 VAL 33 2HG2 VAL 33 7.622 -3.581 0.521
249 HG23 VAL 33 3HG2 VAL 33 7.549 -3.166 -1.193
250 HA PRO 34 HA PRO 34 7.354 1.039 -2.444
251 HB2 PRO 34 2HB PRO 34 10.056 0.677 -2.194
252 HB3 PRO 34 1HB PRO 34 9.147 1.842 -1.227
253 HG2 PRO 34 2HG PRO 34 10.086 -0.893 -0.515
254 HG3 PRO 34 1HG PRO 34 10.049 0.565 0.493
255 HD2 PRO 34 2HD PRO 34 8.222 -1.412 0.706
256 HD3 PRO 34 1HD PRO 34 7.815 0.291 1.003
257 H ASP 35 H ASP 35 6.991 0.170 -4.355
258 HA ASP 35 HA ASP 35 7.782 -2.537 -4.989
259 HB2 ASP 35 2HB ASP 35 6.567 -2.100 -7.056
260 HB3 ASP 35 1HB ASP 35 5.554 -1.902 -5.601
261 H VAL 36 H VAL 36 9.105 0.387 -5.224
262 HA VAL 36 HA VAL 36 10.641 -0.418 -7.510
263 HB VAL 36 HB VAL 36 9.414 1.560 -8.100
264 HG11 VAL 36 1HG1 VAL 36 10.529 2.923 -5.668
265 HG12 VAL 36 2HG1 VAL 36 8.859 2.431 -5.934
266 HG13 VAL 36 3HG1 VAL 36 9.575 3.698 -6.933
267 HG21 VAL 36 1HG2 VAL 36 11.207 3.171 -8.636
268 HG22 VAL 36 2HG2 VAL 36 11.628 1.497 -9.009
269 HG23 VAL 36 3HG2 VAL 36 12.290 2.269 -7.567
Start of MODEL 7
1 H1 LEU 1 1HT LEU 1 7.525 1.585 9.932
2 H2 LEU 1 2HT LEU 1 7.100 0.056 9.430
3 H3 LEU 1 3HT LEU 1 6.015 0.918 10.377
4 HA LEU 1 HA LEU 1 5.323 0.887 8.111
5 HB2 LEU 1 2HB LEU 1 6.580 3.566 8.810
6 HB3 LEU 1 1HB LEU 1 5.507 3.317 7.460
7 HG LEU 1 HG LEU 1 3.701 2.714 9.128
8 HD11 LEU 1 1HD1 LEU 1 5.039 2.153 11.064
9 HD12 LEU 1 2HD1 LEU 1 3.959 3.495 11.425
10 HD13 LEU 1 3HD1 LEU 1 5.669 3.799 11.128
11 HD21 LEU 1 1HD2 LEU 1 3.779 4.875 8.048
12 HD22 LEU 1 2HD2 LEU 1 4.905 5.467 9.267
13 HD23 LEU 1 3HD2 LEU 1 3.254 5.049 9.723
14 HA PRO 2 HA PRO 2 8.676 0.369 5.144
15 HB2 PRO 2 2HB PRO 2 7.154 0.656 2.912
16 HB3 PRO 2 1HB PRO 2 7.181 -0.852 3.833
17 HG2 PRO 2 2HG PRO 2 5.152 1.337 3.829
18 HG3 PRO 2 1HG PRO 2 4.909 -0.418 3.886
19 HD2 PRO 2 2HD PRO 2 4.723 1.149 6.076
20 HD3 PRO 2 1HD PRO 2 5.306 -0.526 6.155
21 H ARG 3 H ARG 3 9.472 1.502 3.318
22 HA ARG 3 HA ARG 3 9.869 4.203 4.095
23 HB2 ARG 3 2HB ARG 3 10.961 2.525 1.869
24 HB3 ARG 3 1HB ARG 3 11.353 4.227 2.073
25 HG2 ARG 3 2HG ARG 3 11.813 2.133 4.175
26 HG3 ARG 3 1HG ARG 3 13.047 2.705 3.048
27 HD2 ARG 3 2HD ARG 3 11.554 4.398 5.067
28 HD3 ARG 3 1HD ARG 3 13.223 3.868 5.169
29 HE ARG 3 HE ARG 3 13.486 5.116 2.979
30 HH11 ARG 3 1HH1 ARG 3 11.179 6.200 5.466
31 HH12 ARG 3 2HH1 ARG 3 11.375 7.838 5.117
32 HH21 ARG 3 1HH2 ARG 3 13.694 7.408 2.492
33 HH22 ARG 3 2HH2 ARG 3 12.791 8.539 3.393
34 H CYS 4 H CYS 4 7.560 2.952 2.526
35 HA CYS 4 HA CYS 4 7.021 4.855 0.440
36 HB2 CYS 4 2HB CYS 4 5.181 2.937 1.859
37 HB3 CYS 4 1HB CYS 4 4.905 3.692 0.292
38 H ASP 5 H ASP 5 6.733 4.654 3.848
39 HA ASP 5 HA ASP 5 6.027 5.983 5.485
40 HB2 ASP 5 2HB ASP 5 6.807 7.892 4.081
41 HB3 ASP 5 1HB ASP 5 5.229 7.962 3.317
42 H SER 6 H SER 6 4.212 4.531 3.346
43 HA SER 6 HA SER 6 1.567 5.196 4.231
44 HB2 SER 6 2HB SER 6 2.518 2.845 2.588
45 HB3 SER 6 1HB SER 6 0.928 3.615 2.562
46 HG SER 6 HG SER 6 1.673 5.226 1.401
47 HA PRO 7 HA PRO 7 2.336 2.246 7.592
48 HB2 PRO 7 2HB PRO 7 -0.003 2.624 8.925
49 HB3 PRO 7 1HB PRO 7 1.365 3.731 9.048
50 HG2 PRO 7 2HG PRO 7 -1.165 4.012 7.507
51 HG3 PRO 7 1HG PRO 7 -0.189 5.256 8.297
52 HD2 PRO 7 2HD PRO 7 -0.203 4.718 5.578
53 HD3 PRO 7 1HD PRO 7 1.092 5.571 6.434
54 H PHE 8 H PHE 8 -0.440 2.306 5.518
55 HA PHE 8 HA PHE 8 -0.581 -0.527 5.403
56 HB2 PHE 8 2HB PHE 8 -2.976 -0.679 6.042
57 HB3 PHE 8 1HB PHE 8 -2.014 -0.128 7.403
58 HD1 PHE 8 1HD PHE 8 -4.616 0.770 4.982
59 HD2 PHE 8 2HD PHE 8 -2.244 2.162 8.232
60 HE1 PHE 8 1HE PHE 8 -6.114 2.700 5.244
61 HE2 PHE 8 2HE PHE 8 -3.746 4.097 8.490
62 HZ PHE 8 HZ PHE 8 -5.678 4.362 6.993
63 H CYS 9 H CYS 9 -2.637 -0.939 3.891
64 HA CYS 9 HA CYS 9 -3.525 1.161 2.261
65 HB2 CYS 9 2HB CYS 9 -1.181 0.761 1.347
66 HB3 CYS 9 1HB CYS 9 -1.660 -0.897 1.019
67 H SER 10 H SER 10 -4.930 -0.037 0.480
68 HA SER 10 HA SER 10 -5.605 -2.759 1.123
69 HB2 SER 10 2HB SER 10 -7.632 -0.533 1.535
70 HB3 SER 10 1HB SER 10 -7.959 -2.261 1.648
71 HG SER 10 HG SER 10 -5.893 -1.631 3.210
72 H LEU 11 H LEU 11 -7.477 -3.421 -0.403
73 HA LEU 11 HA LEU 11 -6.878 -2.374 -2.960
74 HB2 LEU 11 2HB LEU 11 -8.585 -3.987 -3.818
75 HB3 LEU 11 1HB LEU 11 -7.299 -4.655 -2.842
76 HG LEU 11 HG LEU 11 -8.923 -4.770 -0.919
77 HD11 LEU 11 1HD1 LEU 11 -10.952 -4.249 -3.072
78 HD12 LEU 11 2HD1 LEU 11 -10.602 -3.219 -1.684
79 HD13 LEU 11 3HD1 LEU 11 -11.300 -4.821 -1.442
80 HD21 LEU 11 1HD2 LEU 11 -9.487 -6.389 -3.389
81 HD22 LEU 11 2HD2 LEU 11 -9.997 -6.809 -1.758
82 HD23 LEU 11 3HD2 LEU 11 -8.278 -6.731 -2.150
83 H PHE 12 H PHE 12 -9.253 -1.700 -0.689
84 HA PHE 12 HA PHE 12 -10.684 0.031 -2.529
85 HB2 PHE 12 2HB PHE 12 -10.932 -0.181 0.487
86 HB3 PHE 12 1HB PHE 12 -11.945 0.833 -0.521
87 HD1 PHE 12 1HD PHE 12 -12.801 -0.789 -2.700
88 HD2 PHE 12 2HD PHE 12 -12.115 -1.937 1.345
89 HE1 PHE 12 1HE PHE 12 -14.406 -2.631 -2.951
90 HE2 PHE 12 2HE PHE 12 -13.713 -3.786 1.091
91 HZ PHE 12 HZ PHE 12 -14.863 -4.135 -1.058
92 H ARG 13 H ARG 13 -8.825 0.492 0.440
93 HA ARG 13 HA ARG 13 -8.341 3.268 -0.176
94 HB2 ARG 13 2HB ARG 13 -7.248 1.585 2.087
95 HB3 ARG 13 1HB ARG 13 -7.084 3.321 1.923
96 HG2 ARG 13 2HG ARG 13 -9.668 1.833 2.294
97 HG3 ARG 13 1HG ARG 13 -8.801 2.736 3.537
98 HD2 ARG 13 2HD ARG 13 -9.088 4.785 2.189
99 HD3 ARG 13 1HD ARG 13 -10.012 3.847 1.015
100 HE ARG 13 HE ARG 13 -10.943 3.734 3.732
101 HH11 ARG 13 1HH1 ARG 13 -11.293 5.294 0.579
102 HH12 ARG 13 2HH1 ARG 13 -12.853 5.890 0.892
103 HH21 ARG 13 1HH2 ARG 13 -13.115 4.580 4.155
104 HH22 ARG 13 2HH2 ARG 13 -13.882 5.497 2.943
105 H ILE 14 H ILE 14 -7.280 2.984 -2.129
106 HA ILE 14 HA ILE 14 -4.588 1.820 -2.051
107 HB ILE 14 HB ILE 14 -4.619 2.163 -4.542
108 HG12 ILE 14 2HG1 ILE 14 -7.530 2.811 -4.067
109 HG13 ILE 14 1HG1 ILE 14 -6.310 3.973 -4.591
110 HG21 ILE 14 1HG2 ILE 14 -6.159 0.293 -5.005
111 HG22 ILE 14 2HG2 ILE 14 -6.801 0.457 -3.364
112 HG23 ILE 14 3HG2 ILE 14 -5.119 -0.002 -3.610
113 HD11 ILE 14 1HD1 ILE 14 -7.247 1.549 -6.101
114 HD12 ILE 14 2HD1 ILE 14 -6.025 2.695 -6.660
115 HD13 ILE 14 3HD1 ILE 14 -7.700 3.220 -6.444
116 H GLY 15 H GLY 15 -6.025 4.679 -1.525
117 HA2 GLY 15 2HA GLY 15 -4.173 6.425 -2.863
118 HA3 GLY 15 1HA GLY 15 -5.417 6.899 -1.712
119 H LEU 16 H LEU 16 -3.690 4.456 -0.397
120 HA LEU 16 HA LEU 16 -2.273 6.254 1.349
121 HB2 LEU 16 2HB LEU 16 -2.578 3.270 1.321
122 HB3 LEU 16 1HB LEU 16 -1.423 4.048 2.373
123 HG LEU 16 HG LEU 16 -3.406 3.485 3.608
124 HD11 LEU 16 1HD1 LEU 16 -3.264 6.456 3.185
125 HD12 LEU 16 2HD1 LEU 16 -2.270 5.493 4.279
126 HD13 LEU 16 3HD1 LEU 16 -4.004 5.630 4.556
127 HD21 LEU 16 1HD2 LEU 16 -5.588 4.461 3.123
128 HD22 LEU 16 2HD2 LEU 16 -5.017 3.446 1.792
129 HD23 LEU 16 3HD2 LEU 16 -4.934 5.202 1.661
130 H CYS 17 H CYS 17 -1.463 4.162 -1.321
131 HA CYS 17 HA CYS 17 1.346 4.896 -0.913
132 HB2 CYS 17 2HB CYS 17 0.293 2.530 -2.494
133 HB3 CYS 17 1HB CYS 17 1.963 2.900 -2.146
134 H GLY 18 H GLY 18 1.704 6.666 -2.188
135 HA2 GLY 18 2HA GLY 18 0.597 6.528 -4.901
136 HA3 GLY 18 1HA GLY 18 0.606 8.008 -3.958
137 H ASP 19 H ASP 19 2.021 6.573 -6.431
138 HA ASP 19 HA ASP 19 3.585 7.259 -7.835
139 HB2 ASP 19 2HB ASP 19 3.269 9.406 -6.967
140 HB3 ASP 19 1HB ASP 19 4.365 9.130 -5.626
141 H LYS 20 H LYS 20 4.503 6.595 -4.681
142 HA LYS 20 HA LYS 20 7.166 5.740 -5.503
143 HB2 LYS 20 2HB LYS 20 5.980 6.030 -2.773
144 HB3 LYS 20 1HB LYS 20 7.653 5.618 -3.124
145 HG2 LYS 20 2HG LYS 20 6.301 8.102 -4.056
146 HG3 LYS 20 1HG LYS 20 7.243 8.023 -2.578
147 HD2 LYS 20 2HD LYS 20 9.182 7.240 -4.030
148 HD3 LYS 20 1HD LYS 20 8.166 7.575 -5.431
149 HE2 LYS 20 2HE LYS 20 9.122 9.554 -3.373
150 HE3 LYS 20 1HE LYS 20 9.661 9.421 -5.041
151 HZ1 LYS 20 1HZ LYS 20 8.137 11.194 -4.895
152 HZ2 LYS 20 2HZ LYS 20 6.995 10.258 -4.081
153 HZ3 LYS 20 3HZ LYS 20 7.322 9.947 -5.710
154 H CYS 21 H CYS 21 4.248 4.323 -4.001
155 HA CYS 21 HA CYS 21 5.463 1.711 -4.433
156 HB2 CYS 21 2HB CYS 21 4.183 2.615 -1.860
157 HB3 CYS 21 1HB CYS 21 4.798 1.009 -2.213
158 H THR 22 H THR 22 3.799 -0.023 -4.029
159 HA THR 22 HA THR 22 1.073 0.806 -4.603
160 HB THR 22 HB THR 22 2.593 -1.411 -6.059
161 HG1 THR 22 1HG THR 22 2.838 -0.050 -7.714
162 HG21 THR 22 1HG2 THR 22 -0.174 -0.270 -6.545
163 HG22 THR 22 2HG2 THR 22 0.175 -1.838 -5.818
164 HG23 THR 22 3HG2 THR 22 0.603 -1.532 -7.504
165 H CYS 23 H CYS 23 -0.418 -0.819 -3.692
166 HA CYS 23 HA CYS 23 1.006 -2.533 -1.830
167 HB2 CYS 23 2HB CYS 23 -1.025 -2.502 -0.436
168 HB3 CYS 23 1HB CYS 23 -0.288 -0.924 -0.661
169 H VAL 24 H VAL 24 0.528 -4.581 -1.488
170 HA VAL 24 HA VAL 24 -1.022 -5.946 -3.567
171 HB VAL 24 HB VAL 24 0.927 -7.085 -1.528
172 HG11 VAL 24 1HG1 VAL 24 0.875 -9.117 -2.900
173 HG12 VAL 24 2HG1 VAL 24 -0.339 -8.375 -3.942
174 HG13 VAL 24 3HG1 VAL 24 -0.720 -8.722 -2.256
175 HG21 VAL 24 1HG2 VAL 24 1.352 -6.518 -4.462
176 HG22 VAL 24 2HG2 VAL 24 2.495 -7.338 -3.399
177 HG23 VAL 24 3HG2 VAL 24 2.086 -5.646 -3.117
178 HA PRO 25 HA PRO 25 -3.918 -6.112 -0.067
179 HB2 PRO 25 2HB PRO 25 -5.953 -6.808 -2.000
180 HB3 PRO 25 1HB PRO 25 -5.790 -5.335 -1.037
181 HG2 PRO 25 2HG PRO 25 -5.451 -5.398 -3.753
182 HG3 PRO 25 1HG PRO 25 -4.666 -4.221 -2.687
183 HD2 PRO 25 2HD PRO 25 -3.561 -6.715 -3.905
184 HD3 PRO 25 1HD PRO 25 -2.806 -5.117 -3.686
185 H LEU 26 H LEU 26 -4.151 -7.714 1.173
186 HA LEU 26 HA LEU 26 -5.070 -10.193 0.301
187 HB2 LEU 26 2HB LEU 26 -3.001 -11.423 1.336
188 HB3 LEU 26 1HB LEU 26 -2.982 -10.835 -0.311
189 HG LEU 26 HG LEU 26 -1.689 -8.815 0.547
190 HD11 LEU 26 1HD1 LEU 26 -2.125 -8.983 2.911
191 HD12 LEU 26 2HD1 LEU 26 -0.394 -9.053 2.580
192 HD13 LEU 26 3HD1 LEU 26 -1.278 -10.526 2.977
193 HD21 LEU 26 1HD2 LEU 26 -0.406 -11.526 0.726
194 HD22 LEU 26 2HD2 LEU 26 0.447 -9.995 0.532
195 HD23 LEU 26 3HD2 LEU 26 -0.641 -10.564 -0.733
196 HA PRO 27 HA PRO 27 -6.814 -10.756 0.693
197 HB2 PRO 27 2HB PRO 27 -9.214 -10.263 2.241
198 HB3 PRO 27 1HB PRO 27 -8.596 -11.800 1.631
199 HG2 PRO 27 2HG PRO 27 -8.685 -11.200 4.276
200 HG3 PRO 27 1HG PRO 27 -7.458 -12.265 3.571
201 HD2 PRO 27 2HD PRO 27 -7.242 -9.356 4.279
202 HD3 PRO 27 1HD PRO 27 -6.095 -10.676 4.598
203 H ILE 28 H ILE 28 -8.407 -8.332 2.806
204 HA ILE 28 HA ILE 28 -8.985 -6.742 0.435
205 HB ILE 28 HB ILE 28 -9.889 -6.308 3.296
206 HG12 ILE 28 2HG1 ILE 28 -10.840 -8.360 2.404
207 HG13 ILE 28 1HG1 ILE 28 -12.092 -7.131 2.498
208 HG21 ILE 28 1HG2 ILE 28 -11.534 -4.741 2.345
209 HG22 ILE 28 2HG2 ILE 28 -10.801 -4.957 0.758
210 HG23 ILE 28 3HG2 ILE 28 -9.874 -4.219 2.063
211 HD11 ILE 28 1HD1 ILE 28 -10.629 -8.000 0.009
212 HD12 ILE 28 2HD1 ILE 28 -11.862 -6.740 0.083
213 HD13 ILE 28 3HD1 ILE 28 -12.283 -8.413 0.450
214 H PHE 29 H PHE 29 -7.294 -6.413 3.514
215 HA PHE 29 HA PHE 29 -6.295 -3.831 2.718
216 HB2 PHE 29 2HB PHE 29 -5.092 -3.823 4.871
217 HB3 PHE 29 1HB PHE 29 -6.785 -4.205 5.113
218 HD1 PHE 29 1HD PHE 29 -3.355 -5.380 5.403
219 HD2 PHE 29 2HD PHE 29 -7.452 -6.498 5.752
220 HE1 PHE 29 1HE PHE 29 -2.705 -7.357 6.696
221 HE2 PHE 29 2HE PHE 29 -6.793 -8.477 7.039
222 HZ PHE 29 HZ PHE 29 -4.424 -8.910 7.516
223 H GLY 30 H GLY 30 -3.926 -3.472 2.511
224 HA2 GLY 30 2HA GLY 30 -2.593 -5.918 1.646
225 HA3 GLY 30 1HA GLY 30 -2.758 -4.570 0.531
226 H LEU 31 H LEU 31 -0.422 -5.789 1.399
227 HA LEU 31 HA LEU 31 0.822 -3.882 3.166
228 HB2 LEU 31 2HB LEU 31 2.870 -5.291 2.843
229 HB3 LEU 31 1HB LEU 31 1.508 -6.158 3.501
230 HG LEU 31 HG LEU 31 1.140 -6.991 1.068
231 HD11 LEU 31 1HD1 LEU 31 4.019 -6.150 0.847
232 HD12 LEU 31 2HD1 LEU 31 2.664 -5.493 -0.068
233 HD13 LEU 31 3HD1 LEU 31 3.146 -7.173 -0.295
234 HD21 LEU 31 1HD2 LEU 31 2.714 -8.835 1.413
235 HD22 LEU 31 2HD2 LEU 31 1.823 -8.430 2.879
236 HD23 LEU 31 3HD2 LEU 31 3.498 -7.911 2.696
237 H CYS 32 H CYS 32 2.326 -2.373 2.514
238 HA CYS 32 HA CYS 32 2.017 -1.633 -0.281
239 HB2 CYS 32 2HB CYS 32 1.598 -0.025 1.645
240 HB3 CYS 32 1HB CYS 32 3.337 -0.048 1.924
241 H VAL 33 H VAL 33 3.568 -2.119 -1.712
242 HA VAL 33 HA VAL 33 6.227 -2.666 -0.653
243 HB VAL 33 HB VAL 33 5.160 -4.701 -1.576
244 HG11 VAL 33 1HG1 VAL 33 3.650 -3.748 -3.186
245 HG12 VAL 33 2HG1 VAL 33 4.678 -4.956 -3.960
246 HG13 VAL 33 3HG1 VAL 33 5.003 -3.238 -4.195
247 HG21 VAL 33 1HG2 VAL 33 7.437 -3.710 -3.290
248 HG22 VAL 33 2HG2 VAL 33 6.914 -5.389 -3.180
249 HG23 VAL 33 3HG2 VAL 33 7.571 -4.579 -1.758
250 HA PRO 34 HA PRO 34 7.492 0.940 -2.879
251 HB2 PRO 34 2HB PRO 34 10.166 0.275 -3.152
252 HB3 PRO 34 1HB PRO 34 9.458 1.034 -1.726
253 HG2 PRO 34 2HG PRO 34 10.075 -1.831 -2.238
254 HG3 PRO 34 1HG PRO 34 10.306 -0.889 -0.752
255 HD2 PRO 34 2HD PRO 34 8.260 -2.587 -1.019
256 HD3 PRO 34 1HD PRO 34 8.055 -1.038 -0.171
257 H ASP 35 H ASP 35 7.257 1.381 -4.908
258 HA ASP 35 HA ASP 35 7.570 -0.752 -6.859
259 HB2 ASP 35 2HB ASP 35 5.461 0.564 -6.853
260 HB3 ASP 35 1HB ASP 35 6.389 2.015 -7.221
261 H VAL 36 H VAL 36 8.402 2.673 -6.568
262 HA VAL 36 HA VAL 36 10.499 2.277 -8.480
263 HB VAL 36 HB VAL 36 10.987 4.757 -8.160
264 HG11 VAL 36 1HG1 VAL 36 9.602 3.921 -9.989
265 HG12 VAL 36 2HG1 VAL 36 9.012 5.476 -9.405
266 HG13 VAL 36 3HG1 VAL 36 8.182 3.987 -8.947
267 HG21 VAL 36 1HG2 VAL 36 9.229 6.108 -7.069
268 HG22 VAL 36 2HG2 VAL 36 10.042 5.042 -5.924
269 HG23 VAL 36 3HG2 VAL 36 8.446 4.616 -6.544
Start of MODEL 8
1 H1 LEU 1 1HT LEU 1 17.325 5.462 4.519
2 H2 LEU 1 2HT LEU 1 15.894 5.524 5.436
3 H3 LEU 1 3HT LEU 1 16.322 6.824 4.493
4 HA LEU 1 HA LEU 1 15.986 5.630 2.511
5 HB2 LEU 1 2HB LEU 1 15.181 3.366 4.348
6 HB3 LEU 1 1HB LEU 1 14.856 3.409 2.636
7 HG LEU 1 HG LEU 1 17.610 3.448 3.820
8 HD11 LEU 1 1HD1 LEU 1 17.745 1.107 3.037
9 HD12 LEU 1 2HD1 LEU 1 16.045 1.179 2.573
10 HD13 LEU 1 3HD1 LEU 1 16.505 1.317 4.271
11 HD21 LEU 1 1HD2 LEU 1 16.632 3.087 1.003
12 HD22 LEU 1 2HD2 LEU 1 18.308 2.918 1.523
13 HD23 LEU 1 3HD2 LEU 1 17.505 4.481 1.635
14 HA PRO 2 HA PRO 2 12.080 7.553 3.097
15 HB2 PRO 2 2HB PRO 2 11.228 7.450 0.542
16 HB3 PRO 2 1HB PRO 2 12.510 8.552 1.052
17 HG2 PRO 2 2HG PRO 2 12.722 5.916 -0.345
18 HG3 PRO 2 1HG PRO 2 13.634 7.405 -0.634
19 HD2 PRO 2 2HD PRO 2 14.630 5.294 0.808
20 HD3 PRO 2 1HD PRO 2 15.111 6.973 1.083
21 H ARG 3 H ARG 3 10.323 6.839 3.849
22 HA ARG 3 HA ARG 3 9.273 4.241 2.965
23 HB2 ARG 3 2HB ARG 3 8.543 5.830 5.428
24 HB3 ARG 3 1HB ARG 3 8.099 4.186 5.037
25 HG2 ARG 3 2HG ARG 3 10.423 3.488 5.337
26 HG3 ARG 3 1HG ARG 3 10.855 5.153 5.748
27 HD2 ARG 3 2HD ARG 3 8.930 3.364 7.238
28 HD3 ARG 3 1HD ARG 3 10.519 3.888 7.786
29 HE ARG 3 HE ARG 3 9.639 6.165 7.869
30 HH11 ARG 3 1HH1 ARG 3 7.274 3.506 7.935
31 HH12 ARG 3 2HH1 ARG 3 6.043 4.424 8.646
32 HH21 ARG 3 1HH2 ARG 3 7.924 7.405 8.879
33 HH22 ARG 3 2HH2 ARG 3 6.394 6.686 9.150
34 H CYS 4 H CYS 4 6.813 4.287 2.992
35 HA CYS 4 HA CYS 4 5.821 6.807 1.921
36 HB2 CYS 4 2HB CYS 4 4.444 4.142 2.298
37 HB3 CYS 4 1HB CYS 4 3.766 5.531 1.463
38 H ASP 5 H ASP 5 5.917 4.985 4.762
39 HA ASP 5 HA ASP 5 5.145 5.117 6.845
40 HB2 ASP 5 2HB ASP 5 5.665 7.575 6.719
41 HB3 ASP 5 1HB ASP 5 4.038 7.871 6.119
42 H SER 6 H SER 6 3.747 3.985 4.697
43 HA SER 6 HA SER 6 0.944 4.263 5.431
44 HB2 SER 6 2HB SER 6 2.243 2.634 3.235
45 HB3 SER 6 1HB SER 6 0.522 2.992 3.406
46 HG SER 6 HG SER 6 1.217 4.474 2.008
47 HA PRO 7 HA PRO 7 1.943 0.679 8.014
48 HB2 PRO 7 2HB PRO 7 -0.399 0.640 9.419
49 HB3 PRO 7 1HB PRO 7 0.946 1.717 9.805
50 HG2 PRO 7 2HG PRO 7 -1.600 2.305 8.373
51 HG3 PRO 7 1HG PRO 7 -0.667 3.330 9.473
52 HD2 PRO 7 2HD PRO 7 -0.655 3.555 6.728
53 HD3 PRO 7 1HD PRO 7 0.650 4.126 7.784
54 H PHE 8 H PHE 8 -0.817 1.128 5.961
55 HA PHE 8 HA PHE 8 -0.874 -1.637 5.274
56 HB2 PHE 8 2HB PHE 8 -3.236 -1.999 5.820
57 HB3 PHE 8 1HB PHE 8 -2.348 -1.621 7.285
58 HD1 PHE 8 1HD PHE 8 -2.763 0.458 8.479
59 HD2 PHE 8 2HD PHE 8 -4.887 -0.458 4.907
60 HE1 PHE 8 1HE PHE 8 -4.383 2.247 8.975
61 HE2 PHE 8 2HE PHE 8 -6.500 1.322 5.400
62 HZ PHE 8 HZ PHE 8 -6.246 2.677 7.435
63 H CYS 9 H CYS 9 -2.852 -1.829 3.668
64 HA CYS 9 HA CYS 9 -3.730 0.580 2.441
65 HB2 CYS 9 2HB CYS 9 -1.423 0.168 1.477
66 HB3 CYS 9 1HB CYS 9 -2.019 -1.375 0.883
67 H SER 10 H SER 10 -5.233 -0.240 0.544
68 HA SER 10 HA SER 10 -6.071 -2.989 0.764
69 HB2 SER 10 2HB SER 10 -7.960 -0.743 1.584
70 HB3 SER 10 1HB SER 10 -8.379 -2.451 1.449
71 HG SER 10 HG SER 10 -6.258 -2.240 2.998
72 H LEU 11 H LEU 11 -8.025 -3.268 -0.876
73 HA LEU 11 HA LEU 11 -7.194 -1.921 -3.217
74 HB2 LEU 11 2HB LEU 11 -8.885 -3.109 -4.451
75 HB3 LEU 11 1HB LEU 11 -8.098 -4.210 -3.346
76 HG LEU 11 HG LEU 11 -10.714 -2.950 -2.634
77 HD11 LEU 11 1HD1 LEU 11 -10.269 -5.491 -4.218
78 HD12 LEU 11 2HD1 LEU 11 -10.998 -4.010 -4.836
79 HD13 LEU 11 3HD1 LEU 11 -11.819 -4.944 -3.584
80 HD21 LEU 11 1HD2 LEU 11 -9.334 -5.506 -1.878
81 HD22 LEU 11 2HD2 LEU 11 -10.977 -5.079 -1.415
82 HD23 LEU 11 3HD2 LEU 11 -9.632 -4.107 -0.835
83 H PHE 12 H PHE 12 -9.750 -1.379 -0.925
84 HA PHE 12 HA PHE 12 -11.008 0.582 -2.650
85 HB2 PHE 12 2HB PHE 12 -11.638 -0.059 0.240
86 HB3 PHE 12 1HB PHE 12 -12.611 0.908 -0.852
87 HD1 PHE 12 1HD PHE 12 -12.438 -2.162 0.663
88 HD2 PHE 12 2HD PHE 12 -13.104 -0.448 -3.178
89 HE1 PHE 12 1HE PHE 12 -13.663 -4.173 -0.019
90 HE2 PHE 12 2HE PHE 12 -14.332 -2.459 -3.860
91 HZ PHE 12 HZ PHE 12 -14.616 -4.327 -2.285
92 H ARG 13 H ARG 13 -8.524 0.446 -0.395
93 HA ARG 13 HA ARG 13 -8.524 3.370 -0.155
94 HB2 ARG 13 2HB ARG 13 -7.492 1.461 1.973
95 HB3 ARG 13 1HB ARG 13 -7.572 3.208 2.079
96 HG2 ARG 13 2HG ARG 13 -9.930 1.338 1.990
97 HG3 ARG 13 1HG ARG 13 -9.309 2.160 3.421
98 HD2 ARG 13 2HD ARG 13 -9.869 4.308 2.459
99 HD3 ARG 13 1HD ARG 13 -10.370 3.529 0.957
100 HE ARG 13 HE ARG 13 -11.751 2.552 3.234
101 HH11 ARG 13 1HH1 ARG 13 -11.706 5.187 0.863
102 HH12 ARG 13 2HH1 ARG 13 -13.367 5.527 0.975
103 HH21 ARG 13 1HH2 ARG 13 -14.072 3.023 3.397
104 HH22 ARG 13 2HH2 ARG 13 -14.735 4.265 2.452
105 H ILE 14 H ILE 14 -7.276 3.241 -2.060
106 HA ILE 14 HA ILE 14 -4.650 1.976 -1.797
107 HB ILE 14 HB ILE 14 -4.412 2.424 -4.251
108 HG12 ILE 14 2HG1 ILE 14 -7.341 3.163 -4.074
109 HG13 ILE 14 1HG1 ILE 14 -6.019 4.283 -4.385
110 HG21 ILE 14 1HG2 ILE 14 -6.758 0.730 -3.435
111 HG22 ILE 14 2HG2 ILE 14 -5.065 0.236 -3.482
112 HG23 ILE 14 3HG2 ILE 14 -5.911 0.631 -4.977
113 HD11 ILE 14 1HD1 ILE 14 -6.842 1.995 -6.148
114 HD12 ILE 14 2HD1 ILE 14 -5.541 3.148 -6.468
115 HD13 ILE 14 3HD1 ILE 14 -7.219 3.699 -6.404
116 H GLY 15 H GLY 15 -6.054 4.834 -1.235
117 HA2 GLY 15 2HA GLY 15 -4.169 6.688 -2.267
118 HA3 GLY 15 1HA GLY 15 -5.268 6.983 -0.926
119 H LEU 16 H LEU 16 -4.059 4.458 0.266
120 HA LEU 16 HA LEU 16 -2.098 5.665 1.900
121 HB2 LEU 16 2HB LEU 16 -2.891 2.786 1.492
122 HB3 LEU 16 1HB LEU 16 -1.574 3.229 2.543
123 HG LEU 16 HG LEU 16 -3.520 2.774 3.856
124 HD11 LEU 16 1HD1 LEU 16 -2.074 4.509 4.678
125 HD12 LEU 16 2HD1 LEU 16 -3.749 4.816 5.125
126 HD13 LEU 16 3HD1 LEU 16 -3.009 5.732 3.814
127 HD21 LEU 16 1HD2 LEU 16 -5.591 4.081 3.688
128 HD22 LEU 16 2HD2 LEU 16 -5.267 3.186 2.202
129 HD23 LEU 16 3HD2 LEU 16 -4.944 4.916 2.276
130 H CYS 17 H CYS 17 -1.890 3.473 -0.884
131 HA CYS 17 HA CYS 17 0.918 4.258 -1.041
132 HB2 CYS 17 2HB CYS 17 -0.029 1.538 -1.907
133 HB3 CYS 17 1HB CYS 17 1.592 2.129 -1.724
134 H GLY 18 H GLY 18 0.427 5.827 -2.477
135 HA2 GLY 18 2HA GLY 18 -0.029 4.831 -5.166
136 HA3 GLY 18 1HA GLY 18 -0.946 6.218 -4.570
137 H ASP 19 H ASP 19 1.353 5.749 -6.582
138 HA ASP 19 HA ASP 19 2.871 7.014 -7.515
139 HB2 ASP 19 2HB ASP 19 1.692 8.871 -7.027
140 HB3 ASP 19 1HB ASP 19 2.077 8.871 -5.319
141 H LYS 20 H LYS 20 3.176 6.170 -4.319
142 HA LYS 20 HA LYS 20 6.097 6.459 -4.427
143 HB2 LYS 20 2HB LYS 20 4.333 6.394 -1.998
144 HB3 LYS 20 1HB LYS 20 6.078 6.669 -2.013
145 HG2 LYS 20 2HG LYS 20 5.749 8.651 -3.400
146 HG3 LYS 20 1HG LYS 20 4.031 8.369 -3.389
147 HD2 LYS 20 2HD LYS 20 3.936 8.635 -1.008
148 HD3 LYS 20 1HD LYS 20 5.673 8.930 -0.934
149 HE2 LYS 20 2HE LYS 20 4.368 11.047 -0.890
150 HE3 LYS 20 1HE LYS 20 5.443 10.938 -2.276
151 HZ1 LYS 20 1HZ LYS 20 3.239 11.797 -2.853
152 HZ2 LYS 20 2HZ LYS 20 2.514 10.388 -2.349
153 HZ3 LYS 20 3HZ LYS 20 3.564 10.377 -3.681
154 H CYS 21 H CYS 21 3.522 4.148 -3.419
155 HA CYS 21 HA CYS 21 5.397 2.023 -3.780
156 HB2 CYS 21 2HB CYS 21 4.433 1.138 -1.493
157 HB3 CYS 21 1HB CYS 21 5.836 2.196 -1.510
158 H THR 22 H THR 22 4.061 -0.126 -3.433
159 HA THR 22 HA THR 22 1.431 0.368 -4.631
160 HB THR 22 HB THR 22 3.379 -1.869 -5.320
161 HG1 THR 22 1HG THR 22 2.648 0.304 -6.992
162 HG21 THR 22 1HG2 THR 22 0.804 -0.984 -6.657
163 HG22 THR 22 2HG2 THR 22 1.000 -2.441 -5.685
164 HG23 THR 22 3HG2 THR 22 1.861 -2.282 -7.217
165 H CYS 23 H CYS 23 -0.228 -1.068 -3.843
166 HA CYS 23 HA CYS 23 0.744 -2.893 -1.800
167 HB2 CYS 23 2HB CYS 23 -1.308 -2.540 -0.553
168 HB3 CYS 23 1HB CYS 23 -0.371 -1.059 -0.704
169 H VAL 24 H VAL 24 -0.048 -4.861 -1.678
170 HA VAL 24 HA VAL 24 -1.828 -5.662 -3.835
171 HB VAL 24 HB VAL 24 0.318 -6.753 -4.096
172 HG11 VAL 24 1HG1 VAL 24 1.225 -6.515 -1.861
173 HG12 VAL 24 2HG1 VAL 24 1.336 -8.196 -2.388
174 HG13 VAL 24 3HG1 VAL 24 0.082 -7.710 -1.248
175 HG21 VAL 24 1HG2 VAL 24 -1.654 -8.710 -2.920
176 HG22 VAL 24 2HG2 VAL 24 -0.286 -9.132 -3.953
177 HG23 VAL 24 3HG2 VAL 24 -1.606 -8.147 -4.589
178 HA PRO 25 HA PRO 25 -4.592 -6.345 -0.333
179 HB2 PRO 25 2HB PRO 25 -6.859 -6.499 -1.798
180 HB3 PRO 25 1HB PRO 25 -6.096 -4.959 -1.391
181 HG2 PRO 25 2HG PRO 25 -6.020 -6.492 -3.949
182 HG3 PRO 25 1HG PRO 25 -6.107 -4.744 -3.696
183 HD2 PRO 25 2HD PRO 25 -3.812 -6.099 -4.345
184 HD3 PRO 25 1HD PRO 25 -3.846 -4.542 -3.502
185 H LEU 26 H LEU 26 -5.145 -8.195 0.607
186 HA LEU 26 HA LEU 26 -5.915 -10.444 -0.970
187 HB2 LEU 26 2HB LEU 26 -4.266 -12.004 -0.071
188 HB3 LEU 26 1HB LEU 26 -3.503 -10.740 -0.999
189 HG LEU 26 HG LEU 26 -3.547 -10.839 2.026
190 HD11 LEU 26 1HD1 LEU 26 -1.387 -11.686 0.092
191 HD12 LEU 26 2HD1 LEU 26 -2.335 -12.754 1.128
192 HD13 LEU 26 3HD1 LEU 26 -1.213 -11.599 1.846
193 HD21 LEU 26 1HD2 LEU 26 -3.165 -8.605 1.129
194 HD22 LEU 26 2HD2 LEU 26 -1.845 -9.217 0.130
195 HD23 LEU 26 3HD2 LEU 26 -1.704 -9.233 1.889
196 HA PRO 27 HA PRO 27 -7.787 -10.462 -1.122
197 HB2 PRO 27 2HB PRO 27 -10.454 -10.324 -0.022
198 HB3 PRO 27 1HB PRO 27 -9.750 -11.608 -1.003
199 HG2 PRO 27 2HG PRO 27 -10.428 -11.947 1.613
200 HG3 PRO 27 1HG PRO 27 -9.109 -12.838 0.833
201 HD2 PRO 27 2HD PRO 27 -8.980 -10.398 2.566
202 HD3 PRO 27 1HD PRO 27 -7.970 -11.862 2.616
203 H ILE 28 H ILE 28 -9.030 -8.682 1.720
204 HA ILE 28 HA ILE 28 -9.641 -6.401 -0.018
205 HB ILE 28 HB ILE 28 -10.390 -6.828 2.897
206 HG12 ILE 28 2HG1 ILE 28 -11.571 -8.414 1.452
207 HG13 ILE 28 1HG1 ILE 28 -12.686 -7.213 2.090
208 HG21 ILE 28 1HG2 ILE 28 -11.281 -4.680 0.978
209 HG22 ILE 28 2HG2 ILE 28 -10.215 -4.470 2.366
210 HG23 ILE 28 3HG2 ILE 28 -11.904 -4.919 2.612
211 HD11 ILE 28 1HD1 ILE 28 -12.614 -6.046 -0.075
212 HD12 ILE 28 2HD1 ILE 28 -13.182 -7.708 -0.218
213 HD13 ILE 28 3HD1 ILE 28 -11.537 -7.299 -0.697
214 H PHE 29 H PHE 29 -8.146 -7.119 3.081
215 HA PHE 29 HA PHE 29 -6.729 -4.664 3.296
216 HB2 PHE 29 2HB PHE 29 -7.400 -6.017 5.254
217 HB3 PHE 29 1HB PHE 29 -6.389 -7.338 4.693
218 HD1 PHE 29 1HD PHE 29 -6.473 -4.087 6.340
219 HD2 PHE 29 2HD PHE 29 -3.960 -7.219 4.924
220 HE1 PHE 29 1HE PHE 29 -4.616 -3.206 7.684
221 HE2 PHE 29 2HE PHE 29 -2.097 -6.338 6.262
222 HZ PHE 29 HZ PHE 29 -2.419 -4.333 7.645
223 H GLY 30 H GLY 30 -4.579 -4.284 2.692
224 HA2 GLY 30 2HA GLY 30 -3.232 -6.528 1.428
225 HA3 GLY 30 1HA GLY 30 -3.450 -5.010 0.557
226 H LEU 31 H LEU 31 -1.047 -6.246 1.147
227 HA LEU 31 HA LEU 31 0.114 -4.526 3.191
228 HB2 LEU 31 2HB LEU 31 1.288 -6.826 1.641
229 HB3 LEU 31 1HB LEU 31 2.158 -5.878 2.829
230 HG LEU 31 HG LEU 31 -0.238 -7.620 3.386
231 HD11 LEU 31 1HD1 LEU 31 1.373 -8.993 4.600
232 HD12 LEU 31 2HD1 LEU 31 2.679 -7.957 4.026
233 HD13 LEU 31 3HD1 LEU 31 1.738 -8.908 2.876
234 HD21 LEU 31 1HD2 LEU 31 0.262 -7.160 5.743
235 HD22 LEU 31 2HD2 LEU 31 -0.172 -5.691 4.879
236 HD23 LEU 31 3HD2 LEU 31 1.520 -6.027 5.257
237 H CYS 32 H CYS 32 1.660 -3.086 2.729
238 HA CYS 32 HA CYS 32 1.708 -2.209 -0.041
239 HB2 CYS 32 2HB CYS 32 1.027 -0.702 1.873
240 HB3 CYS 32 1HB CYS 32 2.716 -0.768 2.388
241 H VAL 33 H VAL 33 3.671 -1.876 -1.098
242 HA VAL 33 HA VAL 33 6.092 -2.480 0.308
243 HB VAL 33 HB VAL 33 5.373 -4.696 -0.455
244 HG11 VAL 33 1HG1 VAL 33 5.156 -5.266 -2.827
245 HG12 VAL 33 2HG1 VAL 33 5.319 -3.561 -3.241
246 HG13 VAL 33 3HG1 VAL 33 3.934 -4.108 -2.298
247 HG21 VAL 33 1HG2 VAL 33 7.764 -4.260 -0.447
248 HG22 VAL 33 2HG2 VAL 33 7.675 -3.647 -2.099
249 HG23 VAL 33 3HG2 VAL 33 7.341 -5.348 -1.770
250 HA PRO 34 HA PRO 34 7.306 0.673 -2.641
251 HB2 PRO 34 2HB PRO 34 9.898 0.876 -1.804
252 HB3 PRO 34 1HB PRO 34 8.565 1.670 -0.960
253 HG2 PRO 34 2HG PRO 34 10.021 -0.839 -0.292
254 HG3 PRO 34 1HG PRO 34 9.390 0.409 0.795
255 HD2 PRO 34 2HD PRO 34 8.163 -1.999 0.329
256 HD3 PRO 34 1HD PRO 34 7.300 -0.536 0.839
257 H ASP 35 H ASP 35 7.633 -0.010 -4.652
258 HA ASP 35 HA ASP 35 9.083 -2.462 -5.145
259 HB2 ASP 35 2HB ASP 35 7.002 -2.024 -6.393
260 HB3 ASP 35 1HB ASP 35 7.762 -0.592 -7.089
261 H VAL 36 H VAL 36 9.358 0.898 -6.113
262 HA VAL 36 HA VAL 36 12.045 0.300 -6.975
263 HB VAL 36 HB VAL 36 11.968 2.589 -8.120
264 HG11 VAL 36 1HG1 VAL 36 10.651 1.733 -10.020
265 HG12 VAL 36 2HG1 VAL 36 10.025 0.450 -8.983
266 HG13 VAL 36 3HG1 VAL 36 11.745 0.518 -9.360
267 HG21 VAL 36 1HG2 VAL 36 9.742 3.507 -8.628
268 HG22 VAL 36 2HG2 VAL 36 10.050 3.533 -6.889
269 HG23 VAL 36 3HG2 VAL 36 9.004 2.294 -7.579
Start of MODEL 9
1 H1 LEU 1 1HT LEU 1 15.611 6.929 0.921
2 H2 LEU 1 2HT LEU 1 15.301 8.167 -0.150
3 H3 LEU 1 3HT LEU 1 16.327 6.927 -0.616
4 HA LEU 1 HA LEU 1 14.182 6.695 -1.650
5 HB2 LEU 1 2HB LEU 1 14.611 4.688 0.569
6 HB3 LEU 1 1HB LEU 1 13.511 4.460 -0.772
7 HG LEU 1 HG LEU 1 16.488 4.710 -0.951
8 HD11 LEU 1 1HD1 LEU 1 15.795 2.602 0.050
9 HD12 LEU 1 2HD1 LEU 1 16.404 2.320 -1.583
10 HD13 LEU 1 3HD1 LEU 1 14.668 2.323 -1.277
11 HD21 LEU 1 1HD2 LEU 1 15.453 5.583 -2.955
12 HD22 LEU 1 2HD2 LEU 1 14.440 4.149 -3.077
13 HD23 LEU 1 3HD2 LEU 1 16.185 4.015 -3.304
14 HA PRO 2 HA PRO 2 10.682 8.131 0.723
15 HB2 PRO 2 2HB PRO 2 8.720 7.251 -0.893
16 HB3 PRO 2 1HB PRO 2 9.755 8.602 -1.373
17 HG2 PRO 2 2HG PRO 2 9.905 5.720 -2.184
18 HG3 PRO 2 1HG PRO 2 10.073 7.173 -3.188
19 HD2 PRO 2 2HD PRO 2 12.237 5.759 -2.266
20 HD3 PRO 2 1HD PRO 2 12.277 7.504 -2.550
21 H ARG 3 H ARG 3 9.047 7.380 1.977
22 HA ARG 3 HA ARG 3 9.265 4.522 2.581
23 HB2 ARG 3 2HB ARG 3 8.242 6.788 4.283
24 HB3 ARG 3 1HB ARG 3 8.263 5.101 4.740
25 HG2 ARG 3 2HG ARG 3 10.734 5.138 4.561
26 HG3 ARG 3 1HG ARG 3 10.632 6.879 4.264
27 HD2 ARG 3 2HD ARG 3 11.065 6.546 6.591
28 HD3 ARG 3 1HD ARG 3 9.403 7.109 6.420
29 HE ARG 3 HE ARG 3 10.213 4.330 6.918
30 HH11 ARG 3 1HH1 ARG 3 7.702 6.883 7.249
31 HH12 ARG 3 2HH1 ARG 3 6.804 5.973 8.368
32 HH21 ARG 3 1HH2 ARG 3 8.885 3.164 8.506
33 HH22 ARG 3 2HH2 ARG 3 7.469 3.902 9.106
34 H CYS 4 H CYS 4 7.184 3.628 3.493
35 HA CYS 4 HA CYS 4 5.093 4.144 1.576
36 HB2 CYS 4 2HB CYS 4 5.156 2.157 3.861
37 HB3 CYS 4 1HB CYS 4 4.087 2.129 2.463
38 H ASP 5 H ASP 5 5.688 4.351 5.038
39 HA ASP 5 HA ASP 5 4.823 5.526 6.729
40 HB2 ASP 5 2HB ASP 5 3.947 7.301 4.468
41 HB3 ASP 5 1HB ASP 5 3.562 7.698 6.137
42 H SER 6 H SER 6 3.122 3.441 5.389
43 HA SER 6 HA SER 6 0.780 3.914 7.002
44 HB2 SER 6 2HB SER 6 0.609 3.366 4.019
45 HB3 SER 6 1HB SER 6 -0.753 3.268 5.134
46 HG SER 6 HG SER 6 0.789 5.550 4.470
47 HA PRO 7 HA PRO 7 1.675 -0.334 7.863
48 HB2 PRO 7 2HB PRO 7 -0.832 -1.126 8.719
49 HB3 PRO 7 1HB PRO 7 0.339 -0.275 9.729
50 HG2 PRO 7 2HG PRO 7 -2.027 0.799 8.255
51 HG3 PRO 7 1HG PRO 7 -1.404 1.250 9.849
52 HD2 PRO 7 2HD PRO 7 -0.986 2.751 7.642
53 HD3 PRO 7 1HD PRO 7 0.203 2.649 8.961
54 H PHE 8 H PHE 8 -1.605 -0.037 6.480
55 HA PHE 8 HA PHE 8 -0.882 -1.899 4.351
56 HB2 PHE 8 2HB PHE 8 -3.384 -2.132 6.057
57 HB3 PHE 8 1HB PHE 8 -3.026 -3.086 4.631
58 HD1 PHE 8 1HD PHE 8 -0.721 -4.408 4.802
59 HD2 PHE 8 2HD PHE 8 -3.039 -3.061 8.095
60 HE1 PHE 8 1HE PHE 8 0.307 -6.129 6.229
61 HE2 PHE 8 2HE PHE 8 -2.018 -4.772 9.522
62 HZ PHE 8 HZ PHE 8 -0.336 -6.312 8.585
63 H CYS 9 H CYS 9 -2.787 -1.898 2.798
64 HA CYS 9 HA CYS 9 -4.291 0.613 2.916
65 HB2 CYS 9 2HB CYS 9 -4.050 0.944 0.544
66 HB3 CYS 9 1HB CYS 9 -2.428 0.656 1.158
67 H SER 10 H SER 10 -5.972 -0.006 0.722
68 HA SER 10 HA SER 10 -6.844 -2.726 1.083
69 HB2 SER 10 2HB SER 10 -8.649 -0.346 1.646
70 HB3 SER 10 1HB SER 10 -9.154 -2.037 1.613
71 HG SER 10 HG SER 10 -7.091 -1.902 3.206
72 H LEU 11 H LEU 11 -8.498 -3.217 -0.623
73 HA LEU 11 HA LEU 11 -7.729 -2.111 -3.088
74 HB2 LEU 11 2HB LEU 11 -9.535 -3.451 -4.107
75 HB3 LEU 11 1HB LEU 11 -8.589 -4.360 -2.954
76 HG LEU 11 HG LEU 11 -10.540 -3.867 -1.311
77 HD11 LEU 11 1HD1 LEU 11 -11.944 -3.431 -3.933
78 HD12 LEU 11 2HD1 LEU 11 -11.711 -2.238 -2.657
79 HD13 LEU 11 3HD1 LEU 11 -12.723 -3.653 -2.367
80 HD21 LEU 11 1HD2 LEU 11 -11.704 -5.865 -2.033
81 HD22 LEU 11 2HD2 LEU 11 -9.958 -6.083 -2.214
82 HD23 LEU 11 3HD2 LEU 11 -10.960 -5.745 -3.621
83 H PHE 12 H PHE 12 -10.069 -1.149 -0.872
84 HA PHE 12 HA PHE 12 -11.404 0.731 -2.599
85 HB2 PHE 12 2HB PHE 12 -11.402 0.506 0.427
86 HB3 PHE 12 1HB PHE 12 -12.416 1.605 -0.492
87 HD1 PHE 12 1HD PHE 12 -14.163 0.655 -2.015
88 HD2 PHE 12 2HD PHE 12 -12.028 -1.739 0.788
89 HE1 PHE 12 1HE PHE 12 -15.901 -1.070 -2.166
90 HE2 PHE 12 2HE PHE 12 -13.764 -3.470 0.627
91 HZ PHE 12 HZ PHE 12 -15.700 -3.139 -0.841
92 H ARG 13 H ARG 13 -9.151 0.950 0.125
93 HA ARG 13 HA ARG 13 -8.455 3.680 -0.694
94 HB2 ARG 13 2HB ARG 13 -7.989 2.293 1.939
95 HB3 ARG 13 1HB ARG 13 -7.562 3.956 1.568
96 HG2 ARG 13 2HG ARG 13 -10.322 2.777 1.836
97 HG3 ARG 13 1HG ARG 13 -9.538 3.932 2.912
98 HD2 ARG 13 2HD ARG 13 -10.439 4.382 0.075
99 HD3 ARG 13 1HD ARG 13 -11.124 5.097 1.531
100 HE ARG 13 HE ARG 13 -8.719 6.052 1.720
101 HH11 ARG 13 1HH1 ARG 13 -10.710 5.724 -1.202
102 HH12 ARG 13 2HH1 ARG 13 -9.914 6.957 -2.049
103 HH21 ARG 13 1HH2 ARG 13 -7.639 7.784 0.523
104 HH22 ARG 13 2HH2 ARG 13 -8.168 8.150 -1.064
105 H ILE 14 H ILE 14 -7.006 3.122 -2.293
106 HA ILE 14 HA ILE 14 -4.635 1.625 -1.458
107 HB ILE 14 HB ILE 14 -3.937 1.784 -3.850
108 HG12 ILE 14 2HG1 ILE 14 -6.690 2.972 -4.272
109 HG13 ILE 14 1HG1 ILE 14 -5.171 3.848 -4.427
110 HG21 ILE 14 1HG2 ILE 14 -5.585 0.188 -4.726
111 HG22 ILE 14 2HG2 ILE 14 -6.637 0.553 -3.353
112 HG23 ILE 14 3HG2 ILE 14 -5.065 -0.199 -3.085
113 HD11 ILE 14 1HD1 ILE 14 -4.544 2.386 -6.287
114 HD12 ILE 14 2HD1 ILE 14 -6.056 3.244 -6.590
115 HD13 ILE 14 3HD1 ILE 14 -6.083 1.539 -6.121
116 H GLY 15 H GLY 15 -5.799 4.636 -1.417
117 HA2 GLY 15 2HA GLY 15 -3.675 6.261 -2.312
118 HA3 GLY 15 1HA GLY 15 -4.976 6.753 -1.241
119 H LEU 16 H LEU 16 -3.802 4.259 0.339
120 HA LEU 16 HA LEU 16 -2.172 5.775 2.119
121 HB2 LEU 16 2HB LEU 16 -2.660 2.807 1.891
122 HB3 LEU 16 1HB LEU 16 -1.596 3.485 3.100
123 HG LEU 16 HG LEU 16 -3.596 2.988 4.188
124 HD11 LEU 16 1HD1 LEU 16 -2.718 5.108 4.851
125 HD12 LEU 16 2HD1 LEU 16 -4.475 5.097 4.967
126 HD13 LEU 16 3HD1 LEU 16 -3.688 5.931 3.627
127 HD21 LEU 16 1HD2 LEU 16 -5.080 4.385 1.981
128 HD22 LEU 16 2HD2 LEU 16 -5.815 3.774 3.463
129 HD23 LEU 16 3HD2 LEU 16 -5.072 2.655 2.319
130 H CYS 17 H CYS 17 -1.562 3.484 -0.491
131 HA CYS 17 HA CYS 17 1.237 4.282 -0.372
132 HB2 CYS 17 2HB CYS 17 0.274 1.500 -1.072
133 HB3 CYS 17 1HB CYS 17 1.928 2.062 -1.084
134 H GLY 18 H GLY 18 0.711 5.842 -1.899
135 HA2 GLY 18 2HA GLY 18 0.623 4.702 -4.578
136 HA3 GLY 18 1HA GLY 18 -0.363 6.107 -4.154
137 H ASP 19 H ASP 19 2.269 5.374 -5.766
138 HA ASP 19 HA ASP 19 4.112 6.397 -6.482
139 HB2 ASP 19 2HB ASP 19 2.626 8.302 -6.705
140 HB3 ASP 19 1HB ASP 19 2.989 8.829 -5.070
141 H LYS 20 H LYS 20 3.589 5.927 -3.325
142 HA LYS 20 HA LYS 20 6.269 6.654 -2.418
143 HB2 LYS 20 2HB LYS 20 3.881 5.580 -0.931
144 HB3 LYS 20 1HB LYS 20 5.384 6.141 -0.203
145 HG2 LYS 20 2HG LYS 20 5.000 8.364 -0.989
146 HG3 LYS 20 1HG LYS 20 3.591 7.837 -1.893
147 HD2 LYS 20 2HD LYS 20 2.488 7.196 0.136
148 HD3 LYS 20 1HD LYS 20 3.872 7.730 1.096
149 HE2 LYS 20 2HE LYS 20 2.084 9.429 1.056
150 HE3 LYS 20 1HE LYS 20 3.573 10.015 0.322
151 HZ1 LYS 20 1HZ LYS 20 1.621 10.622 -0.973
152 HZ2 LYS 20 2HZ LYS 20 1.177 9.032 -1.164
153 HZ3 LYS 20 3HZ LYS 20 2.592 9.602 -1.886
154 H CYS 21 H CYS 21 3.994 3.907 -2.317
155 HA CYS 21 HA CYS 21 6.091 2.014 -2.842
156 HB2 CYS 21 2HB CYS 21 4.291 1.869 -0.410
157 HB3 CYS 21 1HB CYS 21 5.335 0.581 -0.969
158 H THR 22 H THR 22 4.719 -0.255 -2.742
159 HA THR 22 HA THR 22 2.285 0.340 -4.208
160 HB THR 22 HB THR 22 4.389 -1.762 -4.773
161 HG1 THR 22 1HG THR 22 4.951 0.272 -5.474
162 HG21 THR 22 1HG2 THR 22 3.017 -2.341 -6.763
163 HG22 THR 22 2HG2 THR 22 1.755 -1.237 -6.211
164 HG23 THR 22 3HG2 THR 22 2.153 -2.669 -5.265
165 H CYS 23 H CYS 23 0.510 -0.771 -3.460
166 HA CYS 23 HA CYS 23 1.139 -2.935 -1.641
167 HB2 CYS 23 2HB CYS 23 -0.766 -2.320 -0.257
168 HB3 CYS 23 1HB CYS 23 0.393 -1.006 -0.360
169 H VAL 24 H VAL 24 0.225 -4.752 -1.968
170 HA VAL 24 HA VAL 24 -1.641 -5.023 -4.204
171 HB VAL 24 HB VAL 24 -0.088 -7.133 -2.666
172 HG11 VAL 24 1HG1 VAL 24 -2.068 -8.047 -3.711
173 HG12 VAL 24 2HG1 VAL 24 -0.623 -8.620 -4.544
174 HG13 VAL 24 3HG1 VAL 24 -1.606 -7.345 -5.260
175 HG21 VAL 24 1HG2 VAL 24 1.390 -7.246 -4.640
176 HG22 VAL 24 2HG2 VAL 24 1.456 -5.682 -3.830
177 HG23 VAL 24 3HG2 VAL 24 0.544 -5.858 -5.328
178 HA PRO 25 HA PRO 25 -4.575 -5.671 -0.786
179 HB2 PRO 25 2HB PRO 25 -6.671 -5.869 -2.779
180 HB3 PRO 25 1HB PRO 25 -6.390 -4.593 -1.592
181 HG2 PRO 25 2HG PRO 25 -6.071 -4.237 -4.285
182 HG3 PRO 25 1HG PRO 25 -5.186 -3.312 -3.058
183 HD2 PRO 25 2HD PRO 25 -4.284 -5.660 -4.681
184 HD3 PRO 25 1HD PRO 25 -3.406 -4.179 -4.228
185 H LEU 26 H LEU 26 -4.722 -7.621 0.106
186 HA LEU 26 HA LEU 26 -5.974 -9.723 -1.342
187 HB2 LEU 26 2HB LEU 26 -4.286 -11.441 -0.910
188 HB3 LEU 26 1HB LEU 26 -3.667 -10.196 -1.969
189 HG LEU 26 HG LEU 26 -2.999 -10.281 0.984
190 HD11 LEU 26 1HD1 LEU 26 -1.505 -11.526 -1.316
191 HD12 LEU 26 2HD1 LEU 26 -2.319 -12.406 -0.012
192 HD13 LEU 26 3HD1 LEU 26 -0.921 -11.382 0.341
193 HD21 LEU 26 1HD2 LEU 26 -1.034 -9.035 0.280
194 HD22 LEU 26 2HD2 LEU 26 -2.522 -8.198 -0.167
195 HD23 LEU 26 3HD2 LEU 26 -1.601 -9.075 -1.388
196 HA PRO 27 HA PRO 27 -7.752 -10.258 -1.060
197 HB2 PRO 27 2HB PRO 27 -10.133 -10.099 0.521
198 HB3 PRO 27 1HB PRO 27 -9.497 -11.505 -0.329
199 HG2 PRO 27 2HG PRO 27 -9.655 -11.272 2.419
200 HG3 PRO 27 1HG PRO 27 -8.569 -12.367 1.556
201 HD2 PRO 27 2HD PRO 27 -7.975 -9.712 2.805
202 HD3 PRO 27 1HD PRO 27 -6.979 -11.176 2.726
203 H ILE 28 H ILE 28 -9.047 -8.361 1.688
204 HA ILE 28 HA ILE 28 -9.687 -6.237 -0.183
205 HB ILE 28 HB ILE 28 -10.460 -6.485 2.744
206 HG12 ILE 28 2HG1 ILE 28 -12.102 -6.931 0.240
207 HG13 ILE 28 1HG1 ILE 28 -11.484 -8.207 1.282
208 HG21 ILE 28 1HG2 ILE 28 -10.360 -4.152 2.013
209 HG22 ILE 28 2HG2 ILE 28 -12.026 -4.656 2.289
210 HG23 ILE 28 3HG2 ILE 28 -11.408 -4.530 0.645
211 HD11 ILE 28 1HD1 ILE 28 -13.454 -6.082 2.080
212 HD12 ILE 28 2HD1 ILE 28 -12.871 -7.397 3.105
213 HD13 ILE 28 3HD1 ILE 28 -13.842 -7.754 1.676
214 H PHE 29 H PHE 29 -7.817 -6.790 2.784
215 HA PHE 29 HA PHE 29 -6.753 -4.104 2.628
216 HB2 PHE 29 2HB PHE 29 -5.589 -4.563 4.689
217 HB3 PHE 29 1HB PHE 29 -7.187 -5.263 4.864
218 HD1 PHE 29 1HD PHE 29 -7.454 -7.748 4.782
219 HD2 PHE 29 2HD PHE 29 -3.624 -5.883 4.753
220 HE1 PHE 29 1HE PHE 29 -6.399 -9.881 5.400
221 HE2 PHE 29 2HE PHE 29 -2.574 -8.009 5.368
222 HZ PHE 29 HZ PHE 29 -3.959 -10.011 5.691
223 H GLY 30 H GLY 30 -4.483 -3.726 2.295
224 HA2 GLY 30 2HA GLY 30 -3.259 -5.928 0.776
225 HA3 GLY 30 1HA GLY 30 -3.277 -4.275 0.157
226 H LEU 31 H LEU 31 -1.195 -6.178 0.743
227 HA LEU 31 HA LEU 31 0.297 -5.129 2.991
228 HB2 LEU 31 2HB LEU 31 1.110 -7.046 0.795
229 HB3 LEU 31 1HB LEU 31 2.030 -6.703 2.243
230 HG LEU 31 HG LEU 31 -0.663 -8.073 2.171
231 HD11 LEU 31 1HD1 LEU 31 0.583 -10.074 2.796
232 HD12 LEU 31 2HD1 LEU 31 2.096 -9.177 2.668
233 HD13 LEU 31 3HD1 LEU 31 1.109 -9.454 1.231
234 HD21 LEU 31 1HD2 LEU 31 1.246 -7.578 4.450
235 HD22 LEU 31 2HD2 LEU 31 -0.218 -8.559 4.531
236 HD23 LEU 31 3HD2 LEU 31 -0.332 -6.825 4.227
237 H CYS 32 H CYS 32 1.711 -3.529 2.822
238 HA CYS 32 HA CYS 32 2.050 -2.320 0.190
239 HB2 CYS 32 2HB CYS 32 1.086 -0.972 2.066
240 HB3 CYS 32 1HB CYS 32 2.637 -1.134 2.899
241 H VAL 33 H VAL 33 3.873 -2.713 -0.812
242 HA VAL 33 HA VAL 33 6.227 -3.248 0.812
243 HB VAL 33 HB VAL 33 5.476 -5.292 -0.328
244 HG11 VAL 33 1HG1 VAL 33 5.757 -3.777 -2.907
245 HG12 VAL 33 2HG1 VAL 33 4.257 -4.352 -2.179
246 HG13 VAL 33 3HG1 VAL 33 5.459 -5.508 -2.757
247 HG21 VAL 33 1HG2 VAL 33 7.521 -5.876 -1.559
248 HG22 VAL 33 2HG2 VAL 33 7.870 -5.039 -0.048
249 HG23 VAL 33 3HG2 VAL 33 7.983 -4.173 -1.581
250 HA PRO 34 HA PRO 34 7.840 0.303 -1.337
251 HB2 PRO 34 2HB PRO 34 10.457 -0.037 -0.658
252 HB3 PRO 34 1HB PRO 34 9.264 0.659 0.446
253 HG2 PRO 34 2HG PRO 34 10.333 -2.136 0.331
254 HG3 PRO 34 1HG PRO 34 9.993 -1.135 1.751
255 HD2 PRO 34 2HD PRO 34 8.327 -3.077 0.913
256 HD3 PRO 34 1HD PRO 34 7.737 -1.593 1.688
257 H ASP 35 H ASP 35 7.894 0.099 -3.447
258 HA ASP 35 HA ASP 35 9.192 -2.149 -4.725
259 HB2 ASP 35 2HB ASP 35 8.286 -1.139 -6.774
260 HB3 ASP 35 1HB ASP 35 7.047 -1.560 -5.571
261 H VAL 36 H VAL 36 10.074 0.784 -3.729
262 HA VAL 36 HA VAL 36 11.764 1.450 -5.967
263 HB VAL 36 HB VAL 36 11.748 2.848 -3.287
264 HG11 VAL 36 1HG1 VAL 36 13.639 3.339 -4.766
265 HG12 VAL 36 2HG1 VAL 36 12.602 4.746 -4.532
266 HG13 VAL 36 3HG1 VAL 36 12.511 3.824 -6.033
267 HG21 VAL 36 1HG2 VAL 36 10.165 4.433 -4.250
268 HG22 VAL 36 2HG2 VAL 36 9.480 2.808 -4.150
269 HG23 VAL 36 3HG2 VAL 36 10.048 3.436 -5.700
Start of MODEL 10
1 H1 LEU 1 1HT LEU 1 15.513 4.381 5.191
2 H2 LEU 1 2HT LEU 1 15.682 3.153 6.333
3 H3 LEU 1 3HT LEU 1 14.413 4.274 6.442
4 HA LEU 1 HA LEU 1 14.736 2.385 4.218
5 HB2 LEU 1 2HB LEU 1 12.849 2.357 6.580
6 HB3 LEU 1 1HB LEU 1 12.624 1.386 5.146
7 HG LEU 1 HG LEU 1 15.002 1.177 6.972
8 HD11 LEU 1 1HD1 LEU 1 12.530 -0.549 6.777
9 HD12 LEU 1 2HD1 LEU 1 12.948 0.507 8.124
10 HD13 LEU 1 3HD1 LEU 1 13.946 -0.902 7.767
11 HD21 LEU 1 1HD2 LEU 1 15.377 -0.947 5.790
12 HD22 LEU 1 2HD2 LEU 1 15.471 0.441 4.713
13 HD23 LEU 1 3HD2 LEU 1 14.028 -0.573 4.718
14 HA PRO 2 HA PRO 2 11.923 5.236 2.249
15 HB2 PRO 2 2HB PRO 2 11.024 3.610 0.290
16 HB3 PRO 2 1HB PRO 2 12.653 4.298 0.247
17 HG2 PRO 2 2HG PRO 2 11.764 1.560 1.077
18 HG3 PRO 2 1HG PRO 2 13.167 2.025 0.100
19 HD2 PRO 2 2HD PRO 2 13.349 1.410 2.754
20 HD3 PRO 2 1HD PRO 2 14.434 2.562 1.956
21 H ARG 3 H ARG 3 9.994 5.773 2.792
22 HA ARG 3 HA ARG 3 8.241 3.657 3.766
23 HB2 ARG 3 2HB ARG 3 8.329 6.556 4.569
24 HB3 ARG 3 1HB ARG 3 7.172 5.370 5.146
25 HG2 ARG 3 2HG ARG 3 9.081 4.064 6.080
26 HG3 ARG 3 1HG ARG 3 10.137 5.414 5.646
27 HD2 ARG 3 2HD ARG 3 9.510 5.630 7.954
28 HD3 ARG 3 1HD ARG 3 8.710 6.894 7.016
29 HE ARG 3 HE ARG 3 7.215 4.447 7.500
30 HH11 ARG 3 1HH1 ARG 3 7.731 7.822 8.413
31 HH12 ARG 3 2HH1 ARG 3 6.245 7.977 9.210
32 HH21 ARG 3 1HH2 ARG 3 5.186 4.655 8.605
33 HH22 ARG 3 2HH2 ARG 3 4.773 6.144 9.339
34 H CYS 4 H CYS 4 6.096 3.756 3.249
35 HA CYS 4 HA CYS 4 5.624 5.031 0.667
36 HB2 CYS 4 2HB CYS 4 4.223 2.814 2.118
37 HB3 CYS 4 1HB CYS 4 3.814 3.372 0.502
38 H ASP 5 H ASP 5 5.017 5.572 3.862
39 HA ASP 5 HA ASP 5 3.719 6.933 5.076
40 HB2 ASP 5 2HB ASP 5 2.521 7.733 2.434
41 HB3 ASP 5 1HB ASP 5 2.178 8.559 3.959
42 H SER 6 H SER 6 2.973 4.257 3.918
43 HA SER 6 HA SER 6 0.073 4.311 4.302
44 HB2 SER 6 2HB SER 6 1.771 2.128 3.128
45 HB3 SER 6 1HB SER 6 0.017 2.289 3.045
46 HG SER 6 HG SER 6 0.734 3.054 1.151
47 HA PRO 7 HA PRO 7 1.106 2.021 8.104
48 HB2 PRO 7 2HB PRO 7 -1.433 2.102 9.122
49 HB3 PRO 7 1HB PRO 7 -0.284 3.429 9.309
50 HG2 PRO 7 2HG PRO 7 -2.580 3.162 7.430
51 HG3 PRO 7 1HG PRO 7 -1.972 4.600 8.262
52 HD2 PRO 7 2HD PRO 7 -1.490 3.999 5.635
53 HD3 PRO 7 1HD PRO 7 -0.439 5.031 6.622
54 H PHE 8 H PHE 8 -1.272 1.596 5.677
55 HA PHE 8 HA PHE 8 -0.954 -1.164 5.383
56 HB2 PHE 8 2HB PHE 8 -3.231 -1.905 5.923
57 HB3 PHE 8 1HB PHE 8 -2.571 -1.148 7.363
58 HD1 PHE 8 1HD PHE 8 -3.310 1.215 7.920
59 HD2 PHE 8 2HD PHE 8 -5.226 -1.139 4.940
60 HE1 PHE 8 1HE PHE 8 -5.278 2.694 8.010
61 HE2 PHE 8 2HE PHE 8 -7.182 0.324 5.029
62 HZ PHE 8 HZ PHE 8 -7.213 2.251 6.560
63 H CYS 9 H CYS 9 -2.822 -1.732 3.640
64 HA CYS 9 HA CYS 9 -3.828 0.590 2.269
65 HB2 CYS 9 2HB CYS 9 -1.524 0.178 1.309
66 HB3 CYS 9 1HB CYS 9 -2.071 -1.431 0.852
67 H SER 10 H SER 10 -5.352 -0.277 0.513
68 HA SER 10 HA SER 10 -6.169 -3.046 0.791
69 HB2 SER 10 2HB SER 10 -8.108 -0.846 1.541
70 HB3 SER 10 1HB SER 10 -8.380 -2.582 1.622
71 HG SER 10 HG SER 10 -6.252 -2.103 3.051
72 H LEU 11 H LEU 11 -7.900 -3.495 -0.792
73 HA LEU 11 HA LEU 11 -7.707 -2.182 -3.257
74 HB2 LEU 11 2HB LEU 11 -10.012 -3.795 -2.160
75 HB3 LEU 11 1HB LEU 11 -9.821 -3.349 -3.839
76 HG LEU 11 HG LEU 11 -7.944 -5.147 -2.301
77 HD11 LEU 11 1HD1 LEU 11 -10.022 -5.799 -4.388
78 HD12 LEU 11 2HD1 LEU 11 -10.136 -6.175 -2.669
79 HD13 LEU 11 3HD1 LEU 11 -8.892 -6.941 -3.658
80 HD21 LEU 11 1HD2 LEU 11 -6.805 -3.939 -4.074
81 HD22 LEU 11 2HD2 LEU 11 -8.071 -4.391 -5.215
82 HD23 LEU 11 3HD2 LEU 11 -7.022 -5.630 -4.527
83 H PHE 12 H PHE 12 -9.640 -1.439 -0.506
84 HA PHE 12 HA PHE 12 -11.129 0.597 -2.008
85 HB2 PHE 12 2HB PHE 12 -11.651 -0.525 0.753
86 HB3 PHE 12 1HB PHE 12 -12.664 0.644 -0.090
87 HD1 PHE 12 1HD PHE 12 -11.793 -2.851 0.277
88 HD2 PHE 12 2HD PHE 12 -13.859 -0.034 -2.147
89 HE1 PHE 12 1HE PHE 12 -12.989 -4.683 -0.833
90 HE2 PHE 12 2HE PHE 12 -15.058 -1.860 -3.251
91 HZ PHE 12 HZ PHE 12 -14.618 -4.192 -2.597
92 H ARG 13 H ARG 13 -8.356 0.406 -0.391
93 HA ARG 13 HA ARG 13 -8.420 3.209 0.383
94 HB2 ARG 13 2HB ARG 13 -7.345 1.021 2.216
95 HB3 ARG 13 1HB ARG 13 -6.954 2.705 2.383
96 HG2 ARG 13 2HG ARG 13 -8.530 2.138 4.070
97 HG3 ARG 13 1HG ARG 13 -9.365 3.143 2.895
98 HD2 ARG 13 2HD ARG 13 -10.598 1.333 2.069
99 HD3 ARG 13 1HD ARG 13 -9.492 0.150 2.763
100 HE ARG 13 HE ARG 13 -10.297 0.843 4.941
101 HH11 ARG 13 1HH1 ARG 13 -12.466 1.743 2.241
102 HH12 ARG 13 2HH1 ARG 13 -13.871 1.412 3.132
103 HH21 ARG 13 1HH2 ARG 13 -12.290 0.462 6.127
104 HH22 ARG 13 2HH2 ARG 13 -13.778 0.733 5.340
105 H ILE 14 H ILE 14 -7.285 3.261 -1.679
106 HA ILE 14 HA ILE 14 -4.580 2.124 -1.572
107 HB ILE 14 HB ILE 14 -4.482 2.633 -4.028
108 HG12 ILE 14 2HG1 ILE 14 -7.442 3.130 -3.708
109 HG13 ILE 14 1HG1 ILE 14 -6.248 4.378 -4.058
110 HG21 ILE 14 1HG2 ILE 14 -6.658 0.760 -3.130
111 HG22 ILE 14 2HG2 ILE 14 -4.941 0.388 -3.284
112 HG23 ILE 14 3HG2 ILE 14 -5.900 0.755 -4.720
113 HD11 ILE 14 1HD1 ILE 14 -5.781 3.284 -6.200
114 HD12 ILE 14 2HD1 ILE 14 -7.484 3.722 -6.047
115 HD13 ILE 14 3HD1 ILE 14 -6.976 2.047 -5.818
116 H GLY 15 H GLY 15 -6.181 4.885 -0.942
117 HA2 GLY 15 2HA GLY 15 -4.511 6.835 -2.154
118 HA3 GLY 15 1HA GLY 15 -5.646 7.107 -0.842
119 H LEU 16 H LEU 16 -4.005 4.797 0.483
120 HA LEU 16 HA LEU 16 -2.375 6.451 2.086
121 HB2 LEU 16 2HB LEU 16 -2.374 3.452 1.747
122 HB3 LEU 16 1HB LEU 16 -1.362 4.286 2.891
123 HG LEU 16 HG LEU 16 -3.135 3.394 4.119
124 HD11 LEU 16 1HD1 LEU 16 -4.308 5.268 5.048
125 HD12 LEU 16 2HD1 LEU 16 -3.836 6.264 3.673
126 HD13 LEU 16 3HD1 LEU 16 -2.603 5.640 4.773
127 HD21 LEU 16 1HD2 LEU 16 -4.672 2.848 2.348
128 HD22 LEU 16 2HD2 LEU 16 -5.035 4.554 2.106
129 HD23 LEU 16 3HD2 LEU 16 -5.508 3.758 3.609
130 H CYS 17 H CYS 17 -1.666 4.227 -0.566
131 HA CYS 17 HA CYS 17 1.129 4.972 -0.498
132 HB2 CYS 17 2HB CYS 17 -0.242 3.187 -2.562
133 HB3 CYS 17 1HB CYS 17 1.462 3.295 -2.183
134 H GLY 18 H GLY 18 1.210 7.101 -1.086
135 HA2 GLY 18 2HA GLY 18 -0.425 8.102 -3.217
136 HA3 GLY 18 1HA GLY 18 0.770 8.999 -2.294
137 H ASP 19 H ASP 19 0.557 6.414 -4.673
138 HA ASP 19 HA ASP 19 1.526 5.993 -6.669
139 HB2 ASP 19 2HB ASP 19 1.092 8.331 -7.077
140 HB3 ASP 19 1HB ASP 19 2.667 8.776 -6.441
141 H LYS 20 H LYS 20 3.355 6.920 -4.065
142 HA LYS 20 HA LYS 20 6.008 6.515 -4.956
143 HB2 LYS 20 2HB LYS 20 4.928 6.227 -2.167
144 HB3 LYS 20 1HB LYS 20 6.622 6.387 -2.597
145 HG2 LYS 20 2HG LYS 20 6.199 8.614 -3.480
146 HG3 LYS 20 1HG LYS 20 4.486 8.448 -3.079
147 HD2 LYS 20 2HD LYS 20 5.152 8.074 -0.728
148 HD3 LYS 20 1HD LYS 20 6.810 8.467 -1.171
149 HE2 LYS 20 2HE LYS 20 6.123 10.676 -1.917
150 HE3 LYS 20 1HE LYS 20 4.443 10.307 -1.539
151 HZ1 LYS 20 1HZ LYS 20 5.389 11.594 0.221
152 HZ2 LYS 20 2HZ LYS 20 6.691 10.550 0.379
153 HZ3 LYS 20 3HZ LYS 20 5.157 10.029 0.814
154 H CYS 21 H CYS 21 3.617 4.291 -3.723
155 HA CYS 21 HA CYS 21 5.478 2.099 -4.227
156 HB2 CYS 21 2HB CYS 21 3.817 2.366 -1.733
157 HB3 CYS 21 1HB CYS 21 4.807 0.991 -2.175
158 H THR 22 H THR 22 4.103 -0.032 -3.790
159 HA THR 22 HA THR 22 1.488 0.286 -5.046
160 HB THR 22 HB THR 22 3.462 -2.003 -5.378
161 HG1 THR 22 1HG THR 22 4.070 -1.101 -7.290
162 HG21 THR 22 1HG2 THR 22 2.058 -2.594 -7.313
163 HG22 THR 22 2HG2 THR 22 0.989 -1.242 -6.952
164 HG23 THR 22 3HG2 THR 22 1.117 -2.588 -5.821
165 H CYS 23 H CYS 23 -0.106 -1.212 -4.028
166 HA CYS 23 HA CYS 23 1.085 -2.601 -1.764
167 HB2 CYS 23 2HB CYS 23 -0.989 -2.378 -0.516
168 HB3 CYS 23 1HB CYS 23 -0.269 -0.815 -0.876
169 H VAL 24 H VAL 24 0.750 -4.608 -1.408
170 HA VAL 24 HA VAL 24 -0.851 -6.012 -3.360
171 HB VAL 24 HB VAL 24 1.449 -6.791 -3.284
172 HG11 VAL 24 1HG1 VAL 24 2.475 -7.785 -1.295
173 HG12 VAL 24 2HG1 VAL 24 1.069 -7.305 -0.343
174 HG13 VAL 24 3HG1 VAL 24 2.103 -6.074 -1.068
175 HG21 VAL 24 1HG2 VAL 24 -0.374 -8.780 -1.942
176 HG22 VAL 24 2HG2 VAL 24 1.136 -9.171 -2.764
177 HG23 VAL 24 3HG2 VAL 24 -0.218 -8.502 -3.678
178 HA PRO 25 HA PRO 25 -3.668 -6.592 0.066
179 HB2 PRO 25 2HB PRO 25 -5.857 -6.994 -1.385
180 HB3 PRO 25 1HB PRO 25 -5.108 -5.401 -1.300
181 HG2 PRO 25 2HG PRO 25 -5.009 -7.408 -3.495
182 HG3 PRO 25 1HG PRO 25 -5.073 -5.641 -3.588
183 HD2 PRO 25 2HD PRO 25 -2.771 -7.236 -3.821
184 HD3 PRO 25 1HD PRO 25 -2.821 -5.479 -3.564
185 H LEU 26 H LEU 26 -4.524 -8.362 1.088
186 HA LEU 26 HA LEU 26 -4.634 -10.818 -0.403
187 HB2 LEU 26 2HB LEU 26 -3.435 -12.084 1.369
188 HB3 LEU 26 1HB LEU 26 -2.429 -10.990 0.457
189 HG LEU 26 HG LEU 26 -3.472 -10.287 3.211
190 HD11 LEU 26 1HD1 LEU 26 -2.200 -12.380 3.340
191 HD12 LEU 26 2HD1 LEU 26 -1.318 -11.043 4.079
192 HD13 LEU 26 3HD1 LEU 26 -0.870 -11.612 2.471
193 HD21 LEU 26 1HD2 LEU 26 -1.079 -9.314 1.637
194 HD22 LEU 26 2HD2 LEU 26 -1.562 -8.760 3.241
195 HD23 LEU 26 3HD2 LEU 26 -2.591 -8.436 1.846
196 HA PRO 27 HA PRO 27 -6.291 -10.723 -1.227
197 HB2 PRO 27 2HB PRO 27 -9.115 -10.959 -1.395
198 HB3 PRO 27 1HB PRO 27 -7.927 -12.213 -1.739
199 HG2 PRO 27 2HG PRO 27 -9.753 -12.293 0.347
200 HG3 PRO 27 1HG PRO 27 -8.262 -13.239 0.272
201 HD2 PRO 27 2HD PRO 27 -8.826 -10.689 1.715
202 HD3 PRO 27 1HD PRO 27 -7.856 -12.084 2.240
203 H ILE 28 H ILE 28 -8.093 -8.940 1.118
204 HA ILE 28 HA ILE 28 -8.804 -6.881 -0.875
205 HB ILE 28 HB ILE 28 -10.009 -7.370 1.867
206 HG12 ILE 28 2HG1 ILE 28 -11.177 -7.814 -0.895
207 HG13 ILE 28 1HG1 ILE 28 -10.576 -9.083 0.164
208 HG21 ILE 28 1HG2 ILE 28 -11.688 -5.686 1.223
209 HG22 ILE 28 2HG2 ILE 28 -10.796 -5.378 -0.267
210 HG23 ILE 28 3HG2 ILE 28 -10.064 -4.997 1.290
211 HD11 ILE 28 1HD1 ILE 28 -12.901 -7.262 0.734
212 HD12 ILE 28 2HD1 ILE 28 -12.315 -8.553 1.785
213 HD13 ILE 28 3HD1 ILE 28 -13.003 -8.943 0.208
214 H PHE 29 H PHE 29 -7.558 -7.279 2.403
215 HA PHE 29 HA PHE 29 -6.533 -4.538 2.402
216 HB2 PHE 29 2HB PHE 29 -6.754 -6.598 4.631
217 HB3 PHE 29 1HB PHE 29 -6.099 -4.982 4.826
218 HD1 PHE 29 1HD PHE 29 -7.551 -3.087 5.055
219 HD2 PHE 29 2HD PHE 29 -9.189 -6.929 4.237
220 HE1 PHE 29 1HE PHE 29 -9.789 -2.248 5.601
221 HE2 PHE 29 2HE PHE 29 -11.430 -6.087 4.772
222 HZ PHE 29 HZ PHE 29 -11.737 -3.748 5.459
223 H GLY 30 H GLY 30 -4.240 -4.184 2.724
224 HA2 GLY 30 2HA GLY 30 -2.526 -6.479 2.891
225 HA3 GLY 30 1HA GLY 30 -2.539 -5.712 1.319
226 H LEU 31 H LEU 31 -0.306 -5.540 1.867
227 HA LEU 31 HA LEU 31 0.233 -3.212 3.538
228 HB2 LEU 31 2HB LEU 31 2.515 -4.154 3.864
229 HB3 LEU 31 1HB LEU 31 1.244 -5.135 4.547
230 HG LEU 31 HG LEU 31 1.476 -6.558 2.395
231 HD11 LEU 31 1HD1 LEU 31 4.135 -5.157 2.320
232 HD12 LEU 31 2HD1 LEU 31 2.863 -5.059 1.104
233 HD13 LEU 31 3HD1 LEU 31 3.694 -6.588 1.389
234 HD21 LEU 31 1HD2 LEU 31 3.648 -6.539 4.481
235 HD22 LEU 31 2HD2 LEU 31 3.270 -7.883 3.408
236 HD23 LEU 31 3HD2 LEU 31 2.087 -7.349 4.602
237 H CYS 32 H CYS 32 1.968 -1.823 2.788
238 HA CYS 32 HA CYS 32 1.881 -1.684 -0.123
239 HB2 CYS 32 2HB CYS 32 1.087 0.212 1.447
240 HB3 CYS 32 1HB CYS 32 2.798 0.482 1.751
241 H VAL 33 H VAL 33 3.787 -1.613 -1.313
242 HA VAL 33 HA VAL 33 6.294 -1.769 0.137
243 HB VAL 33 HB VAL 33 5.555 -4.100 -0.204
244 HG11 VAL 33 1HG1 VAL 33 5.485 -3.478 -3.145
245 HG12 VAL 33 2HG1 VAL 33 4.108 -3.855 -2.109
246 HG13 VAL 33 3HG1 VAL 33 5.331 -5.087 -2.434
247 HG21 VAL 33 1HG2 VAL 33 7.866 -3.360 -2.002
248 HG22 VAL 33 2HG2 VAL 33 7.517 -4.985 -1.417
249 HG23 VAL 33 3HG2 VAL 33 7.948 -3.713 -0.275
250 HA PRO 34 HA PRO 34 7.409 0.911 -3.304
251 HB2 PRO 34 2HB PRO 34 10.139 0.795 -2.927
252 HB3 PRO 34 1HB PRO 34 9.077 1.882 -2.026
253 HG2 PRO 34 2HG PRO 34 10.258 -0.729 -1.205
254 HG3 PRO 34 1HG PRO 34 9.983 0.731 -0.242
255 HD2 PRO 34 2HD PRO 34 8.386 -1.460 -0.118
256 HD3 PRO 34 1HD PRO 34 7.786 0.187 0.175
257 H ASP 35 H ASP 35 8.018 0.462 -5.408
258 HA ASP 35 HA ASP 35 8.325 -2.344 -6.012
259 HB2 ASP 35 2HB ASP 35 6.831 -0.760 -7.307
260 HB3 ASP 35 1HB ASP 35 8.306 0.002 -7.900
261 H VAL 36 H VAL 36 10.108 0.613 -6.087
262 HA VAL 36 HA VAL 36 12.476 -0.857 -6.902
263 HB VAL 36 HB VAL 36 11.966 2.128 -7.131
264 HG11 VAL 36 1HG1 VAL 36 14.283 1.577 -6.862
265 HG12 VAL 36 2HG1 VAL 36 13.970 2.145 -8.508
266 HG13 VAL 36 3HG1 VAL 36 14.187 0.415 -8.189
267 HG21 VAL 36 1HG2 VAL 36 11.801 1.759 -9.559
268 HG22 VAL 36 2HG2 VAL 36 10.523 0.919 -8.682
269 HG23 VAL 36 3HG2 VAL 36 11.909 0.018 -9.294
Start of MODEL 11
1 H1 LEU 1 1HT LEU 1 14.895 4.560 2.564
2 H2 LEU 1 2HT LEU 1 14.960 4.797 0.911
3 H3 LEU 1 3HT LEU 1 15.787 3.499 1.569
4 HA LEU 1 HA LEU 1 13.797 2.796 0.497
5 HB2 LEU 1 2HB LEU 1 13.334 2.833 3.504
6 HB3 LEU 1 1HB LEU 1 12.471 1.824 2.373
7 HG LEU 1 HG LEU 1 14.772 0.772 1.856
8 HD11 LEU 1 1HD1 LEU 1 15.443 2.073 4.483
9 HD12 LEU 1 2HD1 LEU 1 16.199 2.397 2.921
10 HD13 LEU 1 3HD1 LEU 1 16.387 0.819 3.679
11 HD21 LEU 1 1HD2 LEU 1 14.558 -0.772 3.744
12 HD22 LEU 1 2HD2 LEU 1 12.998 -0.397 3.016
13 HD23 LEU 1 3HD2 LEU 1 13.464 0.363 4.538
14 HA PRO 2 HA PRO 2 10.768 6.061 0.133
15 HB2 PRO 2 2HB PRO 2 8.906 3.902 -0.626
16 HB3 PRO 2 1HB PRO 2 9.401 5.329 -1.543
17 HG2 PRO 2 2HG PRO 2 10.251 2.890 -2.222
18 HG3 PRO 2 1HG PRO 2 11.293 4.318 -2.363
19 HD2 PRO 2 2HD PRO 2 11.309 2.174 -0.281
20 HD3 PRO 2 1HD PRO 2 12.658 3.021 -1.068
21 H ARG 3 H ARG 3 9.546 6.931 1.509
22 HA ARG 3 HA ARG 3 8.588 5.420 3.744
23 HB2 ARG 3 2HB ARG 3 8.405 8.362 3.097
24 HB3 ARG 3 1HB ARG 3 7.755 7.622 4.548
25 HG2 ARG 3 2HG ARG 3 10.661 7.641 3.754
26 HG3 ARG 3 1HG ARG 3 9.922 8.708 4.946
27 HD2 ARG 3 2HD ARG 3 10.068 5.690 5.125
28 HD3 ARG 3 1HD ARG 3 11.097 6.816 5.997
29 HE ARG 3 HE ARG 3 8.656 7.601 6.768
30 HH11 ARG 3 1HH1 ARG 3 10.070 4.344 6.655
31 HH12 ARG 3 2HH1 ARG 3 9.236 3.782 8.018
32 HH21 ARG 3 1HH2 ARG 3 7.523 6.814 8.665
33 HH22 ARG 3 2HH2 ARG 3 7.771 5.224 9.211
34 H CYS 4 H CYS 4 7.064 4.146 3.056
35 HA CYS 4 HA CYS 4 4.870 4.970 1.438
36 HB2 CYS 4 2HB CYS 4 4.987 2.588 3.304
37 HB3 CYS 4 1HB CYS 4 4.016 2.761 1.848
38 H ASP 5 H ASP 5 5.503 4.328 4.837
39 HA ASP 5 HA ASP 5 4.571 4.899 6.831
40 HB2 ASP 5 2HB ASP 5 5.005 7.207 5.840
41 HB3 ASP 5 1HB ASP 5 3.322 7.243 5.345
42 H SER 6 H SER 6 3.045 3.292 4.830
43 HA SER 6 HA SER 6 0.278 3.819 5.187
44 HB2 SER 6 2HB SER 6 1.559 1.341 4.108
45 HB3 SER 6 1HB SER 6 0.041 2.102 3.627
46 HG SER 6 HG SER 6 1.216 3.782 2.670
47 HA PRO 7 HA PRO 7 0.319 1.257 9.011
48 HB2 PRO 7 2HB PRO 7 -2.568 1.890 8.910
49 HB3 PRO 7 1HB PRO 7 -1.421 2.174 10.221
50 HG2 PRO 7 2HG PRO 7 -2.426 4.188 8.734
51 HG3 PRO 7 1HG PRO 7 -0.790 4.228 9.403
52 HD2 PRO 7 2HD PRO 7 -1.641 3.691 6.571
53 HD3 PRO 7 1HD PRO 7 -0.213 4.519 7.208
54 H PHE 8 H PHE 8 -2.314 1.395 6.637
55 HA PHE 8 HA PHE 8 -2.035 -1.408 6.003
56 HB2 PHE 8 2HB PHE 8 -4.710 -0.146 6.724
57 HB3 PHE 8 1HB PHE 8 -4.471 -1.772 6.109
58 HD1 PHE 8 1HD PHE 8 -4.851 0.239 8.973
59 HD2 PHE 8 2HD PHE 8 -3.042 -3.351 7.596
60 HE1 PHE 8 1HE PHE 8 -4.715 -0.568 11.285
61 HE2 PHE 8 2HE PHE 8 -2.899 -4.165 9.916
62 HZ PHE 8 HZ PHE 8 -3.742 -2.771 11.757
63 H CYS 9 H CYS 9 -3.308 -1.762 3.941
64 HA CYS 9 HA CYS 9 -4.223 0.560 2.560
65 HB2 CYS 9 2HB CYS 9 -1.733 0.550 2.157
66 HB3 CYS 9 1HB CYS 9 -1.924 -1.067 1.472
67 H SER 10 H SER 10 -5.286 -0.138 0.621
68 HA SER 10 HA SER 10 -5.922 -2.988 0.420
69 HB2 SER 10 2HB SER 10 -8.036 -0.866 0.917
70 HB3 SER 10 1HB SER 10 -8.336 -2.573 0.610
71 HG SER 10 HG SER 10 -6.697 -1.753 2.728
72 H LEU 11 H LEU 11 -7.582 -3.221 -1.515
73 HA LEU 11 HA LEU 11 -6.515 -1.785 -3.694
74 HB2 LEU 11 2HB LEU 11 -8.075 -2.943 -5.130
75 HB3 LEU 11 1HB LEU 11 -7.399 -4.069 -3.980
76 HG LEU 11 HG LEU 11 -10.089 -2.835 -3.518
77 HD11 LEU 11 1HD1 LEU 11 -10.142 -3.848 -5.759
78 HD12 LEU 11 2HD1 LEU 11 -11.077 -4.820 -4.623
79 HD13 LEU 11 3HD1 LEU 11 -9.462 -5.338 -5.105
80 HD21 LEU 11 1HD2 LEU 11 -9.195 -4.034 -1.633
81 HD22 LEU 11 2HD2 LEU 11 -8.793 -5.411 -2.657
82 HD23 LEU 11 3HD2 LEU 11 -10.479 -4.998 -2.360
83 H PHE 12 H PHE 12 -9.128 -1.250 -1.591
84 HA PHE 12 HA PHE 12 -10.335 0.796 -3.252
85 HB2 PHE 12 2HB PHE 12 -10.855 0.076 -0.353
86 HB3 PHE 12 1HB PHE 12 -11.797 1.226 -1.287
87 HD1 PHE 12 1HD PHE 12 -11.485 -2.161 -0.280
88 HD2 PHE 12 2HD PHE 12 -12.937 0.323 -3.413
89 HE1 PHE 12 1HE PHE 12 -12.955 -3.975 -1.039
90 HE2 PHE 12 2HE PHE 12 -14.407 -1.491 -4.173
91 HZ PHE 12 HZ PHE 12 -14.421 -3.644 -2.988
92 H ARG 13 H ARG 13 -8.716 0.692 -0.099
93 HA ARG 13 HA ARG 13 -8.101 3.498 -0.384
94 HB2 ARG 13 2HB ARG 13 -7.806 1.642 1.984
95 HB3 ARG 13 1HB ARG 13 -7.073 3.235 1.957
96 HG2 ARG 13 2HG ARG 13 -9.128 3.350 3.180
97 HG3 ARG 13 1HG ARG 13 -9.333 4.223 1.667
98 HD2 ARG 13 2HD ARG 13 -10.431 2.197 0.729
99 HD3 ARG 13 1HD ARG 13 -10.310 1.454 2.324
100 HE ARG 13 HE ARG 13 -11.585 3.982 2.425
101 HH11 ARG 13 1HH1 ARG 13 -12.174 0.575 1.696
102 HH12 ARG 13 2HH1 ARG 13 -13.855 0.661 1.947
103 HH21 ARG 13 1HH2 ARG 13 -13.849 4.117 2.765
104 HH22 ARG 13 2HH2 ARG 13 -14.843 2.748 2.593
105 H ILE 14 H ILE 14 -6.778 3.250 -2.105
106 HA ILE 14 HA ILE 14 -4.235 1.863 -1.756
107 HB ILE 14 HB ILE 14 -3.801 2.593 -4.121
108 HG12 ILE 14 2HG1 ILE 14 -6.685 3.524 -4.013
109 HG13 ILE 14 1HG1 ILE 14 -5.279 4.574 -4.139
110 HG21 ILE 14 1HG2 ILE 14 -5.382 1.009 -5.142
111 HG22 ILE 14 2HG2 ILE 14 -6.280 0.972 -3.622
112 HG23 ILE 14 3HG2 ILE 14 -4.621 0.383 -3.679
113 HD11 ILE 14 1HD1 ILE 14 -6.186 2.556 -6.186
114 HD12 ILE 14 2HD1 ILE 14 -4.771 3.600 -6.330
115 HD13 ILE 14 3HD1 ILE 14 -6.387 4.308 -6.284
116 H GLY 15 H GLY 15 -5.545 4.894 -1.275
117 HA2 GLY 15 2HA GLY 15 -3.446 6.604 -2.088
118 HA3 GLY 15 1HA GLY 15 -4.736 7.006 -0.970
119 H LEU 16 H LEU 16 -3.457 4.405 0.398
120 HA LEU 16 HA LEU 16 -1.888 5.928 2.243
121 HB2 LEU 16 2HB LEU 16 -2.496 2.987 2.068
122 HB3 LEU 16 1HB LEU 16 -1.437 3.659 3.287
123 HG LEU 16 HG LEU 16 -3.535 3.278 4.296
124 HD11 LEU 16 1HD1 LEU 16 -2.469 5.306 4.995
125 HD12 LEU 16 2HD1 LEU 16 -4.222 5.461 5.051
126 HD13 LEU 16 3HD1 LEU 16 -3.318 6.215 3.740
127 HD21 LEU 16 1HD2 LEU 16 -5.642 4.228 3.505
128 HD22 LEU 16 2HD2 LEU 16 -4.935 3.130 2.315
129 HD23 LEU 16 3HD2 LEU 16 -4.818 4.875 2.085
130 H CYS 17 H CYS 17 -1.299 4.031 -0.554
131 HA CYS 17 HA CYS 17 1.578 4.338 -0.090
132 HB2 CYS 17 2HB CYS 17 0.236 2.366 -1.959
133 HB3 CYS 17 1HB CYS 17 1.935 2.459 -1.574
134 H GLY 18 H GLY 18 1.638 6.414 -0.905
135 HA2 GLY 18 2HA GLY 18 0.295 6.949 -3.417
136 HA3 GLY 18 1HA GLY 18 1.010 8.122 -2.326
137 H ASP 19 H ASP 19 1.572 5.905 -4.906
138 HA ASP 19 HA ASP 19 2.797 6.075 -6.766
139 HB2 ASP 19 2HB ASP 19 2.427 8.383 -6.632
140 HB3 ASP 19 1HB ASP 19 3.774 8.636 -5.537
141 H LYS 20 H LYS 20 4.348 6.387 -3.833
142 HA LYS 20 HA LYS 20 6.964 5.595 -4.905
143 HB2 LYS 20 2HB LYS 20 6.368 5.910 -1.974
144 HB3 LYS 20 1HB LYS 20 7.893 6.133 -2.819
145 HG2 LYS 20 2HG LYS 20 5.487 7.928 -2.941
146 HG3 LYS 20 1HG LYS 20 7.004 8.276 -2.133
147 HD2 LYS 20 2HD LYS 20 8.154 8.357 -4.278
148 HD3 LYS 20 1HD LYS 20 6.687 7.829 -5.109
149 HE2 LYS 20 2HE LYS 20 5.563 9.891 -4.191
150 HE3 LYS 20 1HE LYS 20 7.162 10.417 -3.667
151 HZ1 LYS 20 1HZ LYS 20 7.894 10.393 -5.966
152 HZ2 LYS 20 2HZ LYS 20 6.519 11.355 -5.800
153 HZ3 LYS 20 3HZ LYS 20 6.380 9.804 -6.447
154 H CYS 21 H CYS 21 4.258 4.164 -3.297
155 HA CYS 21 HA CYS 21 5.660 1.616 -3.221
156 HB2 CYS 21 2HB CYS 21 3.916 2.585 -0.942
157 HB3 CYS 21 1HB CYS 21 4.869 1.126 -1.032
158 H THR 22 H THR 22 4.040 -0.157 -3.000
159 HA THR 22 HA THR 22 1.373 0.589 -3.915
160 HB THR 22 HB THR 22 3.096 -1.622 -5.085
161 HG1 THR 22 1HG THR 22 2.434 0.978 -5.922
162 HG21 THR 22 1HG2 THR 22 1.288 -1.859 -6.738
163 HG22 THR 22 2HG2 THR 22 0.377 -0.589 -5.925
164 HG23 THR 22 3HG2 THR 22 0.670 -2.123 -5.106
165 H CYS 23 H CYS 23 -0.199 -0.761 -2.999
166 HA CYS 23 HA CYS 23 0.869 -2.710 -1.139
167 HB2 CYS 23 2HB CYS 23 -1.322 -2.567 0.001
168 HB3 CYS 23 1HB CYS 23 -0.426 -1.052 -0.020
169 H VAL 24 H VAL 24 0.373 -4.731 -1.176
170 HA VAL 24 HA VAL 24 -1.076 -5.731 -3.510
171 HB VAL 24 HB VAL 24 0.698 -7.203 -1.530
172 HG11 VAL 24 1HG1 VAL 24 0.683 -9.021 -3.173
173 HG12 VAL 24 2HG1 VAL 24 -0.461 -8.109 -4.160
174 HG13 VAL 24 3HG1 VAL 24 -0.932 -8.676 -2.558
175 HG21 VAL 24 1HG2 VAL 24 2.374 -7.249 -3.319
176 HG22 VAL 24 2HG2 VAL 24 1.986 -5.594 -2.845
177 HG23 VAL 24 3HG2 VAL 24 1.318 -6.266 -4.332
178 HA PRO 25 HA PRO 25 -4.234 -6.322 -0.280
179 HB2 PRO 25 2HB PRO 25 -6.136 -6.723 -2.414
180 HB3 PRO 25 1HB PRO 25 -5.992 -5.359 -1.306
181 HG2 PRO 25 2HG PRO 25 -5.474 -5.194 -3.990
182 HG3 PRO 25 1HG PRO 25 -4.738 -4.133 -2.775
183 HD2 PRO 25 2HD PRO 25 -3.611 -6.549 -4.125
184 HD3 PRO 25 1HD PRO 25 -2.841 -4.992 -3.727
185 H LEU 26 H LEU 26 -4.839 -8.204 0.680
186 HA LEU 26 HA LEU 26 -5.543 -10.411 -0.980
187 HB2 LEU 26 2HB LEU 26 -4.150 -12.065 0.187
188 HB3 LEU 26 1HB LEU 26 -3.210 -10.904 -0.707
189 HG LEU 26 HG LEU 26 -3.569 -10.773 2.291
190 HD11 LEU 26 1HD1 LEU 26 -1.382 -11.837 2.441
191 HD12 LEU 26 2HD1 LEU 26 -1.337 -12.013 0.688
192 HD13 LEU 26 3HD1 LEU 26 -2.530 -12.902 1.631
193 HD21 LEU 26 1HD2 LEU 26 -2.818 -8.697 1.208
194 HD22 LEU 26 2HD2 LEU 26 -1.492 -9.580 0.450
195 HD23 LEU 26 3HD2 LEU 26 -1.546 -9.406 2.203
196 HA PRO 27 HA PRO 27 -7.317 -10.482 -1.446
197 HB2 PRO 27 2HB PRO 27 -10.122 -10.312 -0.798
198 HB3 PRO 27 1HB PRO 27 -9.271 -11.634 -1.595
199 HG2 PRO 27 2HG PRO 27 -10.376 -11.874 0.878
200 HG3 PRO 27 1HG PRO 27 -8.939 -12.777 0.372
201 HD2 PRO 27 2HD PRO 27 -9.104 -10.259 1.997
202 HD3 PRO 27 1HD PRO 27 -8.134 -11.725 2.280
203 H ILE 28 H ILE 28 -8.607 -8.572 1.173
204 HA ILE 28 HA ILE 28 -9.249 -6.386 -0.676
205 HB ILE 28 HB ILE 28 -10.049 -6.728 2.226
206 HG12 ILE 28 2HG1 ILE 28 -11.248 -8.240 0.735
207 HG13 ILE 28 1HG1 ILE 28 -12.337 -6.998 1.341
208 HG21 ILE 28 1HG2 ILE 28 -9.764 -4.367 1.735
209 HG22 ILE 28 2HG2 ILE 28 -11.470 -4.754 1.939
210 HG23 ILE 28 3HG2 ILE 28 -10.810 -4.516 0.321
211 HD11 ILE 28 1HD1 ILE 28 -12.763 -7.428 -1.002
212 HD12 ILE 28 2HD1 ILE 28 -11.080 -7.121 -1.398
213 HD13 ILE 28 3HD1 ILE 28 -12.099 -5.806 -0.812
214 H PHE 29 H PHE 29 -7.714 -6.787 2.516
215 HA PHE 29 HA PHE 29 -6.195 -4.373 1.932
216 HB2 PHE 29 2HB PHE 29 -5.643 -4.352 4.356
217 HB3 PHE 29 1HB PHE 29 -7.375 -4.289 4.070
218 HD1 PHE 29 1HD PHE 29 -8.800 -6.147 4.698
219 HD2 PHE 29 2HD PHE 29 -4.602 -6.292 5.359
220 HE1 PHE 29 1HE PHE 29 -9.101 -8.054 6.207
221 HE2 PHE 29 2HE PHE 29 -4.901 -8.208 6.865
222 HZ PHE 29 HZ PHE 29 -7.146 -9.089 7.292
223 H GLY 30 H GLY 30 -3.911 -4.403 2.465
224 HA2 GLY 30 2HA GLY 30 -2.654 -7.017 2.643
225 HA3 GLY 30 1HA GLY 30 -2.441 -6.165 1.126
226 H LEU 31 H LEU 31 -0.220 -6.343 1.719
227 HA LEU 31 HA LEU 31 0.559 -4.349 3.673
228 HB2 LEU 31 2HB LEU 31 2.882 -5.368 3.424
229 HB3 LEU 31 1HB LEU 31 1.675 -6.309 4.259
230 HG LEU 31 HG LEU 31 1.408 -7.705 2.196
231 HD11 LEU 31 1HD1 LEU 31 3.814 -6.191 1.192
232 HD12 LEU 31 2HD1 LEU 31 2.187 -6.141 0.511
233 HD13 LEU 31 3HD1 LEU 31 3.113 -7.640 0.464
234 HD21 LEU 31 1HD2 LEU 31 3.512 -8.913 2.492
235 HD22 LEU 31 2HD2 LEU 31 2.788 -8.422 4.023
236 HD23 LEU 31 3HD2 LEU 31 4.164 -7.532 3.374
237 H CYS 32 H CYS 32 2.253 -2.865 3.149
238 HA CYS 32 HA CYS 32 2.032 -2.093 0.348
239 HB2 CYS 32 2HB CYS 32 1.291 -0.500 2.163
240 HB3 CYS 32 1HB CYS 32 2.975 -0.403 2.666
241 H VAL 33 H VAL 33 3.729 -2.221 -0.921
242 HA VAL 33 HA VAL 33 6.340 -2.682 0.305
243 HB VAL 33 HB VAL 33 5.468 -4.769 -0.701
244 HG11 VAL 33 1HG1 VAL 33 3.949 -3.891 -2.346
245 HG12 VAL 33 2HG1 VAL 33 5.089 -5.000 -3.110
246 HG13 VAL 33 3HG1 VAL 33 5.294 -3.260 -3.294
247 HG21 VAL 33 1HG2 VAL 33 7.721 -3.587 -2.325
248 HG22 VAL 33 2HG2 VAL 33 7.311 -5.301 -2.261
249 HG23 VAL 33 3HG2 VAL 33 7.872 -4.474 -0.808
250 HA PRO 34 HA PRO 34 7.492 1.001 -1.912
251 HB2 PRO 34 2HB PRO 34 10.159 0.374 -2.261
252 HB3 PRO 34 1HB PRO 34 9.489 1.145 -0.819
253 HG2 PRO 34 2HG PRO 34 10.154 -1.724 -1.303
254 HG3 PRO 34 1HG PRO 34 10.393 -0.756 0.166
255 HD2 PRO 34 2HD PRO 34 8.384 -2.491 -0.038
256 HD3 PRO 34 1HD PRO 34 8.155 -0.930 0.784
257 H ASP 35 H ASP 35 7.265 1.417 -3.982
258 HA ASP 35 HA ASP 35 7.359 -0.809 -5.856
259 HB2 ASP 35 2HB ASP 35 5.325 0.563 -5.835
260 HB3 ASP 35 1HB ASP 35 6.276 2.002 -6.170
261 H VAL 36 H VAL 36 8.718 2.337 -5.296
262 HA VAL 36 HA VAL 36 10.378 2.082 -7.610
263 HB VAL 36 HB VAL 36 9.569 4.307 -7.210
264 HG11 VAL 36 1HG1 VAL 36 10.812 4.182 -4.477
265 HG12 VAL 36 2HG1 VAL 36 9.089 4.207 -4.850
266 HG13 VAL 36 3HG1 VAL 36 10.088 5.616 -5.202
267 HG21 VAL 36 1HG2 VAL 36 12.483 4.128 -6.506
268 HG22 VAL 36 2HG2 VAL 36 11.677 5.599 -7.040
269 HG23 VAL 36 3HG2 VAL 36 11.799 4.209 -8.127
Start of MODEL 12
1 H1 LEU 1 1HT LEU 1 12.753 7.371 9.411
2 H2 LEU 1 2HT LEU 1 13.181 6.266 8.199
3 H3 LEU 1 3HT LEU 1 12.211 5.773 9.468
4 HA LEU 1 HA LEU 1 10.425 7.068 8.753
5 HB2 LEU 1 2HB LEU 1 12.342 7.975 6.585
6 HB3 LEU 1 1HB LEU 1 10.614 8.069 6.389
7 HG LEU 1 HG LEU 1 10.518 9.636 8.329
8 HD11 LEU 1 1HD1 LEU 1 13.512 9.528 8.171
9 HD12 LEU 1 2HD1 LEU 1 12.493 9.060 9.544
10 HD13 LEU 1 3HD1 LEU 1 12.580 10.743 9.040
11 HD21 LEU 1 1HD2 LEU 1 10.530 10.485 6.069
12 HD22 LEU 1 2HD2 LEU 1 12.290 10.445 6.040
13 HD23 LEU 1 3HD2 LEU 1 11.452 11.555 7.127
14 HA PRO 2 HA PRO 2 9.655 3.360 6.345
15 HB2 PRO 2 2HB PRO 2 7.081 4.400 5.550
16 HB3 PRO 2 1HB PRO 2 7.422 3.143 6.738
17 HG2 PRO 2 2HG PRO 2 6.375 5.574 7.382
18 HG3 PRO 2 1HG PRO 2 7.358 4.599 8.488
19 HD2 PRO 2 2HD PRO 2 8.138 6.956 6.828
20 HD3 PRO 2 1HD PRO 2 8.597 6.532 8.495
21 H ARG 3 H ARG 3 9.580 2.684 4.289
22 HA ARG 3 HA ARG 3 10.550 4.612 2.422
23 HB2 ARG 3 2HB ARG 3 10.172 1.650 2.262
24 HB3 ARG 3 1HB ARG 3 10.716 2.620 0.903
25 HG2 ARG 3 2HG ARG 3 12.122 2.523 3.555
26 HG3 ARG 3 1HG ARG 3 12.553 1.494 2.191
27 HD2 ARG 3 2HD ARG 3 12.616 4.512 2.257
28 HD3 ARG 3 1HD ARG 3 14.010 3.434 2.272
29 HE ARG 3 HE ARG 3 12.677 2.721 0.036
30 HH11 ARG 3 1HH1 ARG 3 14.042 5.786 1.204
31 HH12 ARG 3 2HH1 ARG 3 14.228 6.444 -0.353
32 HH21 ARG 3 1HH2 ARG 3 12.936 3.648 -2.096
33 HH22 ARG 3 2HH2 ARG 3 13.570 5.211 -2.269
34 H CYS 4 H CYS 4 7.726 3.221 2.982
35 HA CYS 4 HA CYS 4 6.608 4.293 0.460
36 HB2 CYS 4 2HB CYS 4 5.518 2.027 2.126
37 HB3 CYS 4 1HB CYS 4 4.723 2.696 0.716
38 H ASP 5 H ASP 5 6.688 4.652 3.743
39 HA ASP 5 HA ASP 5 5.714 6.024 5.250
40 HB2 ASP 5 2HB ASP 5 4.854 7.423 2.725
41 HB3 ASP 5 1HB ASP 5 4.491 8.065 4.323
42 H SER 6 H SER 6 4.211 3.692 4.158
43 HA SER 6 HA SER 6 1.553 4.595 4.952
44 HB2 SER 6 2HB SER 6 1.655 4.013 2.573
45 HB3 SER 6 1HB SER 6 2.295 2.425 2.985
46 HG SER 6 HG SER 6 0.119 2.282 2.615
47 HA PRO 7 HA PRO 7 2.359 1.593 8.188
48 HB2 PRO 7 2HB PRO 7 -0.074 1.865 9.434
49 HB3 PRO 7 1HB PRO 7 1.277 2.970 9.691
50 HG2 PRO 7 2HG PRO 7 -1.128 3.297 7.949
51 HG3 PRO 7 1HG PRO 7 -0.303 4.499 8.961
52 HD2 PRO 7 2HD PRO 7 0.008 4.341 6.274
53 HD3 PRO 7 1HD PRO 7 1.291 4.921 7.357
54 H PHE 8 H PHE 8 -0.650 1.759 6.309
55 HA PHE 8 HA PHE 8 -0.556 -0.897 5.444
56 HB2 PHE 8 2HB PHE 8 -2.537 -1.819 6.561
57 HB3 PHE 8 1HB PHE 8 -1.345 -1.393 7.776
58 HD1 PHE 8 1HD PHE 8 -1.737 0.558 9.252
59 HD2 PHE 8 2HD PHE 8 -4.682 -0.745 6.463
60 HE1 PHE 8 1HE PHE 8 -3.446 1.873 10.439
61 HE2 PHE 8 2HE PHE 8 -6.386 0.563 7.644
62 HZ PHE 8 HZ PHE 8 -5.772 1.876 9.635
63 H CYS 9 H CYS 9 -2.500 -1.343 4.093
64 HA CYS 9 HA CYS 9 -4.239 0.878 3.623
65 HB2 CYS 9 2HB CYS 9 -3.741 0.777 1.121
66 HB3 CYS 9 1HB CYS 9 -2.505 1.524 2.122
67 H SER 10 H SER 10 -5.599 -0.053 1.420
68 HA SER 10 HA SER 10 -6.024 -2.889 1.572
69 HB2 SER 10 2HB SER 10 -8.175 -0.935 2.460
70 HB3 SER 10 1HB SER 10 -8.478 -2.636 2.101
71 HG SER 10 HG SER 10 -6.482 -1.978 3.937
72 H LEU 11 H LEU 11 -7.952 -3.378 -0.077
73 HA LEU 11 HA LEU 11 -7.189 -2.075 -2.444
74 HB2 LEU 11 2HB LEU 11 -8.811 -3.446 -3.630
75 HB3 LEU 11 1HB LEU 11 -7.933 -4.373 -2.442
76 HG LEU 11 HG LEU 11 -10.043 -4.081 -0.964
77 HD11 LEU 11 1HD1 LEU 11 -12.131 -3.876 -2.205
78 HD12 LEU 11 2HD1 LEU 11 -11.227 -3.540 -3.682
79 HD13 LEU 11 3HD1 LEU 11 -11.163 -2.407 -2.332
80 HD21 LEU 11 1HD2 LEU 11 -9.279 -6.188 -1.931
81 HD22 LEU 11 2HD2 LEU 11 -10.119 -5.800 -3.432
82 HD23 LEU 11 3HD2 LEU 11 -11.037 -6.062 -1.950
83 H PHE 12 H PHE 12 -9.697 -1.380 -0.241
84 HA PHE 12 HA PHE 12 -11.086 0.400 -2.041
85 HB2 PHE 12 2HB PHE 12 -11.368 0.162 0.960
86 HB3 PHE 12 1HB PHE 12 -12.416 1.089 -0.087
87 HD1 PHE 12 1HD PHE 12 -11.719 -2.148 1.328
88 HD2 PHE 12 2HD PHE 12 -13.855 -0.122 -1.753
89 HE1 PHE 12 1HE PHE 12 -13.195 -4.095 1.065
90 HE2 PHE 12 2HE PHE 12 -15.325 -2.071 -2.015
91 HZ PHE 12 HZ PHE 12 -14.998 -4.056 -0.607
92 H ARG 13 H ARG 13 -8.396 0.633 0.055
93 HA ARG 13 HA ARG 13 -8.267 3.496 -0.444
94 HB2 ARG 13 2HB ARG 13 -7.720 2.190 2.237
95 HB3 ARG 13 1HB ARG 13 -7.087 3.764 1.813
96 HG2 ARG 13 2HG ARG 13 -8.989 4.152 3.167
97 HG3 ARG 13 1HG ARG 13 -9.489 4.520 1.522
98 HD2 ARG 13 2HD ARG 13 -10.571 2.354 1.350
99 HD3 ARG 13 1HD ARG 13 -10.009 1.935 2.965
100 HE ARG 13 HE ARG 13 -11.493 4.328 3.053
101 HH11 ARG 13 1HH1 ARG 13 -11.984 0.841 2.737
102 HH12 ARG 13 2HH1 ARG 13 -13.589 0.861 3.288
103 HH21 ARG 13 1HH2 ARG 13 -13.666 4.368 3.822
104 HH22 ARG 13 2HH2 ARG 13 -14.593 2.946 3.936
105 H ILE 14 H ILE 14 -6.976 2.933 -2.156
106 HA ILE 14 HA ILE 14 -4.388 1.725 -1.478
107 HB ILE 14 HB ILE 14 -4.003 1.579 -3.938
108 HG12 ILE 14 2HG1 ILE 14 -6.910 2.399 -4.163
109 HG13 ILE 14 1HG1 ILE 14 -5.541 3.410 -4.607
110 HG21 ILE 14 1HG2 ILE 14 -6.472 0.189 -2.928
111 HG22 ILE 14 2HG2 ILE 14 -4.805 -0.346 -2.723
112 HG23 ILE 14 3HG2 ILE 14 -5.524 -0.297 -4.333
113 HD11 ILE 14 1HD1 ILE 14 -6.559 2.408 -6.558
114 HD12 ILE 14 2HD1 ILE 14 -6.312 0.796 -5.883
115 HD13 ILE 14 3HD1 ILE 14 -4.924 1.790 -6.332
116 H GLY 15 H GLY 15 -5.768 4.678 -1.715
117 HA2 GLY 15 2HA GLY 15 -3.871 6.200 -3.167
118 HA3 GLY 15 1HA GLY 15 -5.034 6.826 -2.009
119 H LEU 16 H LEU 16 -3.606 4.672 -0.221
120 HA LEU 16 HA LEU 16 -1.873 6.421 1.166
121 HB2 LEU 16 2HB LEU 16 -2.197 3.431 1.259
122 HB3 LEU 16 1HB LEU 16 -1.015 4.255 2.242
123 HG LEU 16 HG LEU 16 -2.913 3.717 3.583
124 HD11 LEU 16 1HD1 LEU 16 -1.839 5.786 4.119
125 HD12 LEU 16 2HD1 LEU 16 -3.566 5.884 4.444
126 HD13 LEU 16 3HD1 LEU 16 -2.897 6.660 3.011
127 HD21 LEU 16 1HD2 LEU 16 -4.627 3.499 1.877
128 HD22 LEU 16 2HD2 LEU 16 -4.595 5.238 1.597
129 HD23 LEU 16 3HD2 LEU 16 -5.165 4.607 3.142
130 H CYS 17 H CYS 17 -1.366 4.107 -1.422
131 HA CYS 17 HA CYS 17 1.453 4.886 -1.440
132 HB2 CYS 17 2HB CYS 17 0.434 2.130 -2.133
133 HB3 CYS 17 1HB CYS 17 2.091 2.678 -2.106
134 H GLY 18 H GLY 18 1.424 6.267 -3.095
135 HA2 GLY 18 2HA GLY 18 0.699 5.137 -5.686
136 HA3 GLY 18 1HA GLY 18 0.176 6.761 -5.230
137 H ASP 19 H ASP 19 2.037 5.790 -7.348
138 HA ASP 19 HA ASP 19 3.734 6.642 -8.482
139 HB2 ASP 19 2HB ASP 19 3.116 8.735 -7.735
140 HB3 ASP 19 1HB ASP 19 3.859 8.533 -6.160
141 H LYS 20 H LYS 20 4.200 5.616 -5.339
142 HA LYS 20 HA LYS 20 7.066 5.130 -5.897
143 HB2 LYS 20 2HB LYS 20 5.904 5.602 -3.170
144 HB3 LYS 20 1HB LYS 20 7.604 5.503 -3.618
145 HG2 LYS 20 2HG LYS 20 7.282 7.491 -5.065
146 HG3 LYS 20 1HG LYS 20 5.648 7.629 -4.436
147 HD2 LYS 20 2HD LYS 20 6.640 7.772 -2.170
148 HD3 LYS 20 1HD LYS 20 8.230 7.887 -2.927
149 HE2 LYS 20 2HE LYS 20 5.916 9.805 -3.247
150 HE3 LYS 20 1HE LYS 20 7.471 10.134 -2.493
151 HZ1 LYS 20 1HZ LYS 20 7.021 9.586 -5.398
152 HZ2 LYS 20 2HZ LYS 20 8.528 9.863 -4.668
153 HZ3 LYS 20 3HZ LYS 20 7.376 11.071 -4.693
154 H CYS 21 H CYS 21 4.238 3.774 -4.157
155 HA CYS 21 HA CYS 21 5.515 1.173 -4.347
156 HB2 CYS 21 2HB CYS 21 4.143 2.258 -1.884
157 HB3 CYS 21 1HB CYS 21 4.809 0.653 -2.080
158 H THR 22 H THR 22 3.811 -0.541 -3.901
159 HA THR 22 HA THR 22 1.233 0.416 -4.882
160 HB THR 22 HB THR 22 2.629 -2.163 -5.681
161 HG1 THR 22 1HG THR 22 2.804 -1.059 -7.745
162 HG21 THR 22 1HG2 THR 22 0.143 -0.818 -6.772
163 HG22 THR 22 2HG2 THR 22 0.171 -2.281 -5.791
164 HG23 THR 22 3HG2 THR 22 0.872 -2.292 -7.410
165 H CYS 23 H CYS 23 -0.546 -0.562 -3.883
166 HA CYS 23 HA CYS 23 0.005 -2.163 -1.541
167 HB2 CYS 23 2HB CYS 23 -2.482 -0.814 -2.574
168 HB3 CYS 23 1HB CYS 23 -2.483 -1.877 -1.175
169 H VAL 24 H VAL 24 -0.111 -4.262 -1.563
170 HA VAL 24 HA VAL 24 -1.674 -5.602 -3.649
171 HB VAL 24 HB VAL 24 0.418 -6.770 -1.771
172 HG11 VAL 24 1HG1 VAL 24 -0.970 -8.009 -4.153
173 HG12 VAL 24 2HG1 VAL 24 -1.235 -8.429 -2.462
174 HG13 VAL 24 3HG1 VAL 24 0.324 -8.756 -3.217
175 HG21 VAL 24 1HG2 VAL 24 0.634 -6.089 -4.706
176 HG22 VAL 24 2HG2 VAL 24 1.868 -6.911 -3.749
177 HG23 VAL 24 3HG2 VAL 24 1.430 -5.242 -3.381
178 HA PRO 25 HA PRO 25 -4.411 -6.096 -0.037
179 HB2 PRO 25 2HB PRO 25 -6.470 -6.645 -2.031
180 HB3 PRO 25 1HB PRO 25 -6.367 -5.331 -0.850
181 HG2 PRO 25 2HG PRO 25 -6.085 -4.879 -3.497
182 HG3 PRO 25 1HG PRO 25 -5.212 -3.945 -2.272
183 HD2 PRO 25 2HD PRO 25 -4.243 -6.264 -3.912
184 HD3 PRO 25 1HD PRO 25 -3.451 -4.704 -3.570
185 H LEU 26 H LEU 26 -4.466 -7.894 0.996
186 HA LEU 26 HA LEU 26 -5.023 -10.288 -0.463
187 HB2 LEU 26 2HB LEU 26 -3.148 -11.431 0.954
188 HB3 LEU 26 1HB LEU 26 -2.798 -10.598 -0.541
189 HG LEU 26 HG LEU 26 -2.106 -8.599 0.883
190 HD11 LEU 26 1HD1 LEU 26 -1.356 -9.027 3.154
191 HD12 LEU 26 2HD1 LEU 26 -2.085 -10.632 3.090
192 HD13 LEU 26 3HD1 LEU 26 -3.104 -9.198 2.993
193 HD21 LEU 26 1HD2 LEU 26 -0.522 -11.144 1.056
194 HD22 LEU 26 2HD2 LEU 26 0.113 -9.520 1.322
195 HD23 LEU 26 3HD2 LEU 26 -0.512 -9.973 -0.263
196 HA PRO 27 HA PRO 27 -6.805 -10.576 -0.766
197 HB2 PRO 27 2HB PRO 27 -9.531 -10.865 0.075
198 HB3 PRO 27 1HB PRO 27 -8.511 -12.071 -0.712
199 HG2 PRO 27 2HG PRO 27 -9.430 -12.311 1.856
200 HG3 PRO 27 1HG PRO 27 -7.936 -13.062 1.274
201 HD2 PRO 27 2HD PRO 27 -8.296 -10.514 2.811
202 HD3 PRO 27 1HD PRO 27 -7.103 -11.812 3.054
203 H ILE 28 H ILE 28 -8.175 -8.808 1.946
204 HA ILE 28 HA ILE 28 -9.088 -6.767 0.049
205 HB ILE 28 HB ILE 28 -10.153 -7.284 2.841
206 HG12 ILE 28 2HG1 ILE 28 -11.416 -7.636 0.110
207 HG13 ILE 28 1HG1 ILE 28 -10.868 -8.930 1.164
208 HG21 ILE 28 1HG2 ILE 28 -11.011 -5.203 0.820
209 HG22 ILE 28 2HG2 ILE 28 -10.170 -4.884 2.335
210 HG23 ILE 28 3HG2 ILE 28 -11.811 -5.535 2.357
211 HD11 ILE 28 1HD1 ILE 28 -13.267 -8.711 1.265
212 HD12 ILE 28 2HD1 ILE 28 -13.114 -7.010 1.700
213 HD13 ILE 28 3HD1 ILE 28 -12.559 -8.255 2.815
214 H PHE 29 H PHE 29 -7.595 -7.082 3.290
215 HA PHE 29 HA PHE 29 -6.716 -4.365 3.172
216 HB2 PHE 29 2HB PHE 29 -5.398 -4.860 5.213
217 HB3 PHE 29 1HB PHE 29 -7.058 -5.384 5.392
218 HD1 PHE 29 1HD PHE 29 -7.592 -7.730 5.622
219 HD2 PHE 29 2HD PHE 29 -3.564 -6.461 5.090
220 HE1 PHE 29 1HE PHE 29 -6.800 -9.936 6.361
221 HE2 PHE 29 2HE PHE 29 -2.771 -8.667 5.823
222 HZ PHE 29 HZ PHE 29 -4.389 -10.408 6.460
223 H GLY 30 H GLY 30 -4.547 -3.655 2.822
224 HA2 GLY 30 2HA GLY 30 -3.097 -5.637 1.247
225 HA3 GLY 30 1HA GLY 30 -3.392 -4.008 0.635
226 H LEU 31 H LEU 31 -1.033 -5.520 1.075
227 HA LEU 31 HA LEU 31 0.314 -3.912 3.100
228 HB2 LEU 31 2HB LEU 31 1.280 -6.293 1.505
229 HB3 LEU 31 1HB LEU 31 2.201 -5.458 2.737
230 HG LEU 31 HG LEU 31 -0.345 -7.010 3.215
231 HD11 LEU 31 1HD1 LEU 31 1.090 -8.612 4.347
232 HD12 LEU 31 2HD1 LEU 31 2.508 -7.665 3.898
233 HD13 LEU 31 3HD1 LEU 31 1.539 -8.448 2.650
234 HD21 LEU 31 1HD2 LEU 31 1.546 -5.672 5.155
235 HD22 LEU 31 2HD2 LEU 31 0.193 -6.712 5.596
236 HD23 LEU 31 3HD2 LEU 31 -0.109 -5.170 4.799
237 H CYS 32 H CYS 32 1.908 -2.534 2.493
238 HA CYS 32 HA CYS 32 1.769 -1.737 -0.294
239 HB2 CYS 32 2HB CYS 32 1.274 -0.095 1.503
240 HB3 CYS 32 1HB CYS 32 2.928 -0.286 2.084
241 H VAL 33 H VAL 33 3.292 -2.438 -1.568
242 HA VAL 33 HA VAL 33 5.893 -3.097 -0.420
243 HB VAL 33 HB VAL 33 4.777 -5.052 -1.375
244 HG11 VAL 33 1HG1 VAL 33 4.261 -5.235 -3.769
245 HG12 VAL 33 2HG1 VAL 33 4.654 -3.525 -3.962
246 HG13 VAL 33 3HG1 VAL 33 3.296 -4.008 -2.950
247 HG21 VAL 33 1HG2 VAL 33 7.202 -4.998 -1.591
248 HG22 VAL 33 2HG2 VAL 33 7.063 -4.147 -3.127
249 HG23 VAL 33 3HG2 VAL 33 6.487 -5.806 -2.986
250 HA PRO 34 HA PRO 34 7.551 0.376 -2.713
251 HB2 PRO 34 2HB PRO 34 10.178 -0.482 -2.698
252 HB3 PRO 34 1HB PRO 34 9.413 0.384 -1.360
253 HG2 PRO 34 2HG PRO 34 9.842 -2.550 -1.720
254 HG3 PRO 34 1HG PRO 34 10.056 -1.565 -0.258
255 HD2 PRO 34 2HD PRO 34 7.908 -3.096 -0.597
256 HD3 PRO 34 1HD PRO 34 7.764 -1.496 0.162
257 H ASP 35 H ASP 35 7.283 0.492 -4.817
258 HA ASP 35 HA ASP 35 7.973 -1.866 -6.422
259 HB2 ASP 35 2HB ASP 35 5.589 -1.065 -6.461
260 HB3 ASP 35 1HB ASP 35 6.162 0.408 -7.240
261 H VAL 36 H VAL 36 8.217 1.632 -6.364
262 HA VAL 36 HA VAL 36 9.992 1.631 -8.620
263 HB VAL 36 HB VAL 36 9.207 3.888 -6.738
264 HG11 VAL 36 1HG1 VAL 36 10.627 3.985 -9.403
265 HG12 VAL 36 2HG1 VAL 36 11.334 4.364 -7.834
266 HG13 VAL 36 3HG1 VAL 36 10.060 5.387 -8.498
267 HG21 VAL 36 1HG2 VAL 36 7.742 4.611 -8.559
268 HG22 VAL 36 2HG2 VAL 36 7.311 3.003 -7.974
269 HG23 VAL 36 3HG2 VAL 36 8.198 3.181 -9.489
Start of MODEL 13
1 H1 LEU 1 1HT LEU 1 12.627 -0.694 6.038
2 H2 LEU 1 2HT LEU 1 12.456 -0.728 7.697
3 H3 LEU 1 3HT LEU 1 12.727 0.753 6.882
4 HA LEU 1 HA LEU 1 10.359 -0.982 6.594
5 HB2 LEU 1 2HB LEU 1 10.608 1.815 7.754
6 HB3 LEU 1 1HB LEU 1 9.099 0.996 7.453
7 HG LEU 1 HG LEU 1 9.933 -0.737 9.175
8 HD11 LEU 1 1HD1 LEU 1 11.730 1.561 9.899
9 HD12 LEU 1 2HD1 LEU 1 12.258 -0.001 9.285
10 HD13 LEU 1 3HD1 LEU 1 11.462 0.106 10.855
11 HD21 LEU 1 1HD2 LEU 1 9.215 2.061 10.014
12 HD22 LEU 1 2HD2 LEU 1 9.082 0.620 11.023
13 HD23 LEU 1 3HD2 LEU 1 8.089 0.777 9.576
14 HA PRO 2 HA PRO 2 9.958 1.033 2.627
15 HB2 PRO 2 2HB PRO 2 7.239 1.015 2.405
16 HB3 PRO 2 1HB PRO 2 8.219 -0.431 2.142
17 HG2 PRO 2 2HG PRO 2 6.685 0.396 4.568
18 HG3 PRO 2 1HG PRO 2 6.806 -1.202 3.811
19 HD2 PRO 2 2HD PRO 2 8.224 -0.554 5.998
20 HD3 PRO 2 1HD PRO 2 8.883 -1.626 4.740
21 H ARG 3 H ARG 3 9.983 3.063 2.104
22 HA ARG 3 HA ARG 3 8.942 4.979 4.009
23 HB2 ARG 3 2HB ARG 3 10.694 5.317 1.587
24 HB3 ARG 3 1HB ARG 3 10.245 6.584 2.711
25 HG2 ARG 3 2HG ARG 3 11.469 5.539 4.483
26 HG3 ARG 3 1HG ARG 3 11.786 4.119 3.481
27 HD2 ARG 3 2HD ARG 3 12.718 6.916 2.918
28 HD3 ARG 3 1HD ARG 3 13.725 5.609 3.556
29 HE ARG 3 HE ARG 3 12.711 4.563 1.297
30 HH11 ARG 3 1HH1 ARG 3 14.430 7.589 1.933
31 HH12 ARG 3 2HH1 ARG 3 15.147 7.684 0.395
32 HH21 ARG 3 1HH2 ARG 3 13.677 4.671 -0.820
33 HH22 ARG 3 2HH2 ARG 3 14.679 5.979 -1.227
34 H CYS 4 H CYS 4 6.797 4.456 3.411
35 HA CYS 4 HA CYS 4 5.983 5.706 0.877
36 HB2 CYS 4 2HB CYS 4 4.723 3.325 2.230
37 HB3 CYS 4 1HB CYS 4 4.217 4.035 0.706
38 H ASP 5 H ASP 5 5.669 5.539 4.290
39 HA ASP 5 HA ASP 5 4.387 6.481 5.831
40 HB2 ASP 5 2HB ASP 5 3.643 8.299 3.537
41 HB3 ASP 5 1HB ASP 5 3.019 8.544 5.164
42 H SER 6 H SER 6 3.533 4.287 4.234
43 HA SER 6 HA SER 6 0.615 4.479 4.490
44 HB2 SER 6 2HB SER 6 2.196 2.425 2.942
45 HB3 SER 6 1HB SER 6 0.491 2.842 2.771
46 HG SER 6 HG SER 6 1.149 4.877 1.932
47 HA PRO 7 HA PRO 7 1.830 1.607 7.862
48 HB2 PRO 7 2HB PRO 7 -0.621 1.552 9.095
49 HB3 PRO 7 1HB PRO 7 0.584 2.805 9.388
50 HG2 PRO 7 2HG PRO 7 -1.858 2.892 7.676
51 HG3 PRO 7 1HG PRO 7 -1.141 4.164 8.675
52 HD2 PRO 7 2HD PRO 7 -0.872 4.019 5.958
53 HD3 PRO 7 1HD PRO 7 0.311 4.806 7.024
54 H PHE 8 H PHE 8 -0.930 1.468 5.759
55 HA PHE 8 HA PHE 8 -0.569 -1.255 5.143
56 HB2 PHE 8 2HB PHE 8 -2.799 -2.041 5.851
57 HB3 PHE 8 1HB PHE 8 -1.914 -1.485 7.261
58 HD1 PHE 8 1HD PHE 8 -4.863 -1.109 5.253
59 HD2 PHE 8 2HD PHE 8 -2.494 0.772 8.238
60 HE1 PHE 8 1HE PHE 8 -6.744 0.363 5.814
61 HE2 PHE 8 2HE PHE 8 -4.372 2.257 8.800
62 HZ PHE 8 HZ PHE 8 -6.496 2.053 7.592
63 H CYS 9 H CYS 9 -2.644 -1.725 3.621
64 HA CYS 9 HA CYS 9 -3.704 0.663 2.413
65 HB2 CYS 9 2HB CYS 9 -1.424 0.302 1.390
66 HB3 CYS 9 1HB CYS 9 -1.978 -1.276 0.861
67 H SER 10 H SER 10 -5.161 -0.254 0.424
68 HA SER 10 HA SER 10 -6.101 -2.937 0.948
69 HB2 SER 10 2HB SER 10 -8.452 -2.094 1.266
70 HB3 SER 10 1HB SER 10 -7.373 -1.677 2.601
71 HG SER 10 HG SER 10 -7.049 0.334 1.389
72 H LEU 11 H LEU 11 -7.850 -3.456 -0.738
73 HA LEU 11 HA LEU 11 -7.066 -2.393 -3.254
74 HB2 LEU 11 2HB LEU 11 -8.744 -3.789 -4.274
75 HB3 LEU 11 1HB LEU 11 -7.918 -4.719 -3.047
76 HG LEU 11 HG LEU 11 -10.559 -3.422 -2.468
77 HD11 LEU 11 1HD1 LEU 11 -10.846 -4.753 -4.510
78 HD12 LEU 11 2HD1 LEU 11 -11.630 -5.533 -3.138
79 HD13 LEU 11 3HD1 LEU 11 -10.073 -6.125 -3.719
80 HD21 LEU 11 1HD2 LEU 11 -9.425 -4.326 -0.545
81 HD22 LEU 11 2HD2 LEU 11 -9.124 -5.838 -1.399
82 HD23 LEU 11 3HD2 LEU 11 -10.769 -5.385 -0.963
83 H PHE 12 H PHE 12 -9.446 -1.610 -0.950
84 HA PHE 12 HA PHE 12 -11.129 -0.115 -2.731
85 HB2 PHE 12 2HB PHE 12 -11.033 -0.043 0.293
86 HB3 PHE 12 1HB PHE 12 -12.326 0.575 -0.724
87 HD1 PHE 12 1HD PHE 12 -11.544 -1.970 1.406
88 HD2 PHE 12 2HD PHE 12 -13.148 -1.388 -2.494
89 HE1 PHE 12 1HE PHE 12 -12.669 -4.152 1.533
90 HE2 PHE 12 2HE PHE 12 -14.269 -3.558 -2.360
91 HZ PHE 12 HZ PHE 12 -14.036 -4.947 -0.347
92 H ARG 13 H ARG 13 -8.730 0.594 -0.234
93 HA ARG 13 HA ARG 13 -8.432 3.238 -1.444
94 HB2 ARG 13 2HB ARG 13 -8.046 2.429 1.429
95 HB3 ARG 13 1HB ARG 13 -7.594 3.994 0.768
96 HG2 ARG 13 2HG ARG 13 -10.370 2.856 1.043
97 HG3 ARG 13 1HG ARG 13 -9.669 4.197 1.947
98 HD2 ARG 13 2HD ARG 13 -10.281 4.140 -1.012
99 HD3 ARG 13 1HD ARG 13 -11.152 5.034 0.224
100 HE ARG 13 HE ARG 13 -8.622 5.961 0.444
101 HH11 ARG 13 1HH1 ARG 13 -10.940 5.753 -2.234
102 HH12 ARG 13 2HH1 ARG 13 -10.286 7.068 -3.094
103 HH21 ARG 13 1HH2 ARG 13 -7.760 7.797 -0.704
104 HH22 ARG 13 2HH2 ARG 13 -8.428 8.259 -2.187
105 H ILE 14 H ILE 14 -6.920 2.733 -2.847
106 HA ILE 14 HA ILE 14 -4.452 1.550 -1.844
107 HB ILE 14 HB ILE 14 -3.665 1.635 -4.198
108 HG12 ILE 14 2HG1 ILE 14 -6.438 2.653 -4.837
109 HG13 ILE 14 1HG1 ILE 14 -4.954 3.598 -4.954
110 HG21 ILE 14 1HG2 ILE 14 -5.171 -0.084 -5.120
111 HG22 ILE 14 2HG2 ILE 14 -6.326 0.281 -3.836
112 HG23 ILE 14 3HG2 ILE 14 -4.742 -0.377 -3.433
113 HD11 ILE 14 1HD1 ILE 14 -5.685 2.822 -7.137
114 HD12 ILE 14 2HD1 ILE 14 -5.643 1.152 -6.554
115 HD13 ILE 14 3HD1 ILE 14 -4.147 2.075 -6.692
116 H GLY 15 H GLY 15 -5.934 4.382 -1.969
117 HA2 GLY 15 2HA GLY 15 -3.941 6.231 -2.734
118 HA3 GLY 15 1HA GLY 15 -5.386 6.593 -1.803
119 H LEU 16 H LEU 16 -3.904 4.231 -0.148
120 HA LEU 16 HA LEU 16 -2.725 5.988 1.777
121 HB2 LEU 16 2HB LEU 16 -2.698 2.996 1.455
122 HB3 LEU 16 1HB LEU 16 -1.706 3.768 2.669
123 HG LEU 16 HG LEU 16 -3.673 2.898 3.708
124 HD11 LEU 16 1HD1 LEU 16 -3.898 5.883 3.503
125 HD12 LEU 16 2HD1 LEU 16 -2.872 4.969 4.606
126 HD13 LEU 16 3HD1 LEU 16 -4.624 4.866 4.748
127 HD21 LEU 16 1HD2 LEU 16 -5.940 3.632 3.118
128 HD22 LEU 16 2HD2 LEU 16 -5.159 2.774 1.790
129 HD23 LEU 16 3HD2 LEU 16 -5.280 4.532 1.752
130 H CYS 17 H CYS 17 -1.648 4.229 -0.975
131 HA CYS 17 HA CYS 17 1.160 4.778 -0.441
132 HB2 CYS 17 2HB CYS 17 -0.178 3.323 -2.735
133 HB3 CYS 17 1HB CYS 17 1.545 3.351 -2.382
134 H GLY 18 H GLY 18 2.076 6.561 -1.330
135 HA2 GLY 18 2HA GLY 18 0.362 8.258 -2.955
136 HA3 GLY 18 1HA GLY 18 1.849 8.738 -2.162
137 H ASP 19 H ASP 19 1.024 6.230 -4.525
138 HA ASP 19 HA ASP 19 1.593 5.798 -6.660
139 HB2 ASP 19 2HB ASP 19 0.973 8.103 -7.001
140 HB3 ASP 19 1HB ASP 19 2.621 8.626 -6.699
141 H LYS 20 H LYS 20 3.911 6.749 -4.505
142 HA LYS 20 HA LYS 20 6.216 6.039 -6.101
143 HB2 LYS 20 2HB LYS 20 5.995 6.636 -3.182
144 HB3 LYS 20 1HB LYS 20 7.495 6.362 -4.065
145 HG2 LYS 20 2HG LYS 20 6.990 8.243 -5.511
146 HG3 LYS 20 1HG LYS 20 5.500 8.524 -4.610
147 HD2 LYS 20 2HD LYS 20 7.190 9.985 -3.908
148 HD3 LYS 20 1HD LYS 20 6.792 8.853 -2.594
149 HE2 LYS 20 2HE LYS 20 8.803 7.537 -3.170
150 HE3 LYS 20 1HE LYS 20 9.180 8.694 -4.449
151 HZ1 LYS 20 1HZ LYS 20 9.384 10.399 -2.728
152 HZ2 LYS 20 2HZ LYS 20 10.475 9.132 -2.511
153 HZ3 LYS 20 3HZ LYS 20 9.114 9.223 -1.539
154 H CYS 21 H CYS 21 4.003 4.514 -4.117
155 HA CYS 21 HA CYS 21 5.511 2.022 -4.077
156 HB2 CYS 21 2HB CYS 21 3.876 3.142 -1.794
157 HB3 CYS 21 1HB CYS 21 4.727 1.609 -1.817
158 H THR 22 H THR 22 4.083 0.217 -4.100
159 HA THR 22 HA THR 22 1.293 0.837 -4.719
160 HB THR 22 HB THR 22 3.057 -1.279 -6.013
161 HG1 THR 22 1HG THR 22 3.600 0.635 -6.868
162 HG21 THR 22 1HG2 THR 22 1.165 -1.671 -7.523
163 HG22 THR 22 2HG2 THR 22 0.210 -0.466 -6.661
164 HG23 THR 22 3HG2 THR 22 0.678 -1.962 -5.851
165 H CYS 23 H CYS 23 -0.184 -0.620 -3.771
166 HA CYS 23 HA CYS 23 1.066 -2.434 -1.853
167 HB2 CYS 23 2HB CYS 23 -0.949 -2.255 -0.542
168 HB3 CYS 23 1HB CYS 23 -0.228 -0.670 -0.804
169 H VAL 24 H VAL 24 0.080 -4.401 -1.403
170 HA VAL 24 HA VAL 24 -1.633 -5.372 -3.540
171 HB VAL 24 HB VAL 24 0.581 -6.407 -3.778
172 HG11 VAL 24 1HG1 VAL 24 1.559 -7.857 -2.053
173 HG12 VAL 24 2HG1 VAL 24 0.287 -7.361 -0.934
174 HG13 VAL 24 3HG1 VAL 24 1.447 -6.174 -1.530
175 HG21 VAL 24 1HG2 VAL 24 -1.439 -8.342 -2.657
176 HG22 VAL 24 2HG2 VAL 24 -0.038 -8.785 -3.629
177 HG23 VAL 24 3HG2 VAL 24 -1.320 -7.799 -4.331
178 HA PRO 25 HA PRO 25 -4.147 -6.010 0.078
179 HB2 PRO 25 2HB PRO 25 -6.453 -6.560 -1.227
180 HB3 PRO 25 1HB PRO 25 -5.823 -4.921 -1.049
181 HG2 PRO 25 2HG PRO 25 -5.826 -6.700 -3.428
182 HG3 PRO 25 1HG PRO 25 -5.887 -4.934 -3.345
183 HD2 PRO 25 2HD PRO 25 -3.626 -6.493 -3.913
184 HD3 PRO 25 1HD PRO 25 -3.645 -4.769 -3.502
185 H LEU 26 H LEU 26 -4.108 -7.859 1.249
186 HA LEU 26 HA LEU 26 -4.874 -10.257 -0.108
187 HB2 LEU 26 2HB LEU 26 -3.028 -11.617 0.720
188 HB3 LEU 26 1HB LEU 26 -2.461 -10.344 -0.320
189 HG LEU 26 HG LEU 26 -2.241 -10.302 2.695
190 HD11 LEU 26 1HD1 LEU 26 -0.933 -12.135 1.749
191 HD12 LEU 26 2HD1 LEU 26 0.126 -10.854 2.338
192 HD13 LEU 26 3HD1 LEU 26 -0.179 -11.021 0.608
193 HD21 LEU 26 1HD2 LEU 26 -2.165 -8.081 1.658
194 HD22 LEU 26 2HD2 LEU 26 -0.868 -8.624 0.591
195 HD23 LEU 26 3HD2 LEU 26 -0.597 -8.528 2.331
196 HA PRO 27 HA PRO 27 -6.672 -10.627 -0.176
197 HB2 PRO 27 2HB PRO 27 -9.275 -10.744 1.038
198 HB3 PRO 27 1HB PRO 27 -8.409 -12.021 0.181
199 HG2 PRO 27 2HG PRO 27 -8.946 -12.151 2.853
200 HG3 PRO 27 1HG PRO 27 -7.521 -12.897 2.115
201 HD2 PRO 27 2HD PRO 27 -7.756 -10.265 3.513
202 HD3 PRO 27 1HD PRO 27 -6.533 -11.535 3.742
203 H ILE 28 H ILE 28 -7.937 -8.641 2.501
204 HA ILE 28 HA ILE 28 -9.041 -6.769 0.529
205 HB ILE 28 HB ILE 28 -9.551 -6.939 3.515
206 HG12 ILE 28 2HG1 ILE 28 -10.637 -8.733 2.255
207 HG13 ILE 28 1HG1 ILE 28 -11.828 -7.608 2.898
208 HG21 ILE 28 1HG2 ILE 28 -9.644 -4.637 2.850
209 HG22 ILE 28 2HG2 ILE 28 -11.280 -5.222 3.168
210 HG23 ILE 28 3HG2 ILE 28 -10.710 -5.034 1.507
211 HD11 ILE 28 1HD1 ILE 28 -12.417 -8.302 0.657
212 HD12 ILE 28 2HD1 ILE 28 -10.854 -7.766 0.047
213 HD13 ILE 28 3HD1 ILE 28 -12.011 -6.585 0.667
214 H PHE 29 H PHE 29 -7.173 -6.769 3.517
215 HA PHE 29 HA PHE 29 -6.047 -4.206 2.730
216 HB2 PHE 29 2HB PHE 29 -6.015 -5.644 5.403
217 HB3 PHE 29 1HB PHE 29 -5.232 -4.098 5.085
218 HD1 PHE 29 1HD PHE 29 -8.334 -5.763 5.881
219 HD2 PHE 29 2HD PHE 29 -6.631 -2.125 4.494
220 HE1 PHE 29 1HE PHE 29 -10.432 -4.599 6.380
221 HE2 PHE 29 2HE PHE 29 -8.739 -0.942 4.995
222 HZ PHE 29 HZ PHE 29 -10.643 -2.183 5.933
223 H GLY 30 H GLY 30 -3.800 -3.961 2.756
224 HA2 GLY 30 2HA GLY 30 -2.208 -6.358 2.956
225 HA3 GLY 30 1HA GLY 30 -2.356 -5.681 1.343
226 H LEU 31 H LEU 31 -0.023 -5.706 1.778
227 HA LEU 31 HA LEU 31 0.936 -3.486 3.419
228 HB2 LEU 31 2HB LEU 31 2.455 -5.643 1.963
229 HB3 LEU 31 1HB LEU 31 3.129 -4.477 3.080
230 HG LEU 31 HG LEU 31 1.176 -6.661 3.790
231 HD11 LEU 31 1HD1 LEU 31 3.378 -7.519 3.236
232 HD12 LEU 31 2HD1 LEU 31 3.048 -7.672 4.959
233 HD13 LEU 31 3HD1 LEU 31 4.117 -6.393 4.375
234 HD21 LEU 31 1HD2 LEU 31 2.595 -4.628 5.513
235 HD22 LEU 31 2HD2 LEU 31 1.687 -6.009 6.118
236 HD23 LEU 31 3HD2 LEU 31 0.857 -4.736 5.226
237 H CYS 32 H CYS 32 2.367 -1.952 2.497
238 HA CYS 32 HA CYS 32 2.023 -1.629 -0.388
239 HB2 CYS 32 2HB CYS 32 1.054 0.127 1.156
240 HB3 CYS 32 1HB CYS 32 2.699 0.477 1.673
241 H VAL 33 H VAL 33 3.849 -1.600 -1.628
242 HA VAL 33 HA VAL 33 6.383 -1.612 -0.180
243 HB VAL 33 HB VAL 33 5.823 -3.901 -0.915
244 HG11 VAL 33 1HG1 VAL 33 5.743 -2.794 -3.708
245 HG12 VAL 33 2HG1 VAL 33 4.385 -3.442 -2.788
246 HG13 VAL 33 3HG1 VAL 33 5.701 -4.506 -3.288
247 HG21 VAL 33 1HG2 VAL 33 8.089 -2.695 -2.508
248 HG22 VAL 33 2HG2 VAL 33 7.863 -4.419 -2.223
249 HG23 VAL 33 3HG2 VAL 33 8.183 -3.339 -0.867
250 HA PRO 34 HA PRO 34 7.405 1.756 -2.938
251 HB2 PRO 34 2HB PRO 34 10.148 1.534 -2.729
252 HB3 PRO 34 1HB PRO 34 9.136 2.386 -1.557
253 HG2 PRO 34 2HG PRO 34 10.258 -0.380 -1.437
254 HG3 PRO 34 1HG PRO 34 10.118 0.824 -0.143
255 HD2 PRO 34 2HD PRO 34 8.416 -1.226 -0.344
256 HD3 PRO 34 1HD PRO 34 7.877 0.377 0.198
257 H ASP 35 H ASP 35 7.342 1.561 -5.048
258 HA ASP 35 HA ASP 35 8.137 -0.831 -6.396
259 HB2 ASP 35 2HB ASP 35 7.338 1.867 -7.500
260 HB3 ASP 35 1HB ASP 35 7.533 0.406 -8.458
261 H VAL 36 H VAL 36 9.171 2.499 -6.538
262 HA VAL 36 HA VAL 36 11.838 1.545 -7.124
263 HB VAL 36 HB VAL 36 12.208 3.845 -8.245
264 HG11 VAL 36 1HG1 VAL 36 12.029 1.770 -9.524
265 HG12 VAL 36 2HG1 VAL 36 11.254 3.102 -10.380
266 HG13 VAL 36 3HG1 VAL 36 10.272 1.912 -9.525
267 HG21 VAL 36 1HG2 VAL 36 9.184 3.799 -8.297
268 HG22 VAL 36 2HG2 VAL 36 10.212 4.941 -9.165
269 HG23 VAL 36 3HG2 VAL 36 10.181 4.943 -7.400
Start of MODEL 14
1 H1 LEU 1 1HT LEU 1 14.751 1.256 1.113
2 H2 LEU 1 2HT LEU 1 14.081 -0.260 0.902
3 H3 LEU 1 3HT LEU 1 15.484 -0.112 1.791
4 HA LEU 1 HA LEU 1 13.527 -0.510 3.084
5 HB2 LEU 1 2HB LEU 1 13.778 1.223 4.788
6 HB3 LEU 1 1HB LEU 1 15.338 0.725 4.188
7 HG LEU 1 HG LEU 1 13.982 3.272 3.285
8 HD11 LEU 1 1HD1 LEU 1 15.417 4.407 4.916
9 HD12 LEU 1 2HD1 LEU 1 15.978 2.837 5.502
10 HD13 LEU 1 3HD1 LEU 1 14.290 3.302 5.708
11 HD21 LEU 1 1HD2 LEU 1 16.861 2.382 3.267
12 HD22 LEU 1 2HD2 LEU 1 16.228 3.899 2.605
13 HD23 LEU 1 3HD2 LEU 1 15.777 2.344 1.885
14 HA PRO 2 HA PRO 2 9.783 1.370 1.637
15 HB2 PRO 2 2HB PRO 2 8.793 1.188 4.422
16 HB3 PRO 2 1HB PRO 2 8.129 0.442 2.958
17 HG2 PRO 2 2HG PRO 2 9.350 -1.024 4.798
18 HG3 PRO 2 1HG PRO 2 9.620 -1.337 3.071
19 HD2 PRO 2 2HD PRO 2 11.359 0.150 5.009
20 HD3 PRO 2 1HD PRO 2 11.804 -1.082 3.808
21 H ARG 3 H ARG 3 9.130 3.294 1.321
22 HA ARG 3 HA ARG 3 9.765 5.436 3.261
23 HB2 ARG 3 2HB ARG 3 9.627 5.565 0.242
24 HB3 ARG 3 1HB ARG 3 9.907 6.924 1.307
25 HG2 ARG 3 2HG ARG 3 12.025 5.863 2.031
26 HG3 ARG 3 1HG ARG 3 11.744 4.578 0.854
27 HD2 ARG 3 2HD ARG 3 13.229 6.223 -0.118
28 HD3 ARG 3 1HD ARG 3 11.665 6.296 -0.935
29 HE ARG 3 HE ARG 3 12.069 8.122 1.280
30 HH11 ARG 3 1HH1 ARG 3 11.866 7.769 -2.255
31 HH12 ARG 3 2HH1 ARG 3 11.927 9.443 -2.557
32 HH21 ARG 3 1HH2 ARG 3 12.121 10.395 0.863
33 HH22 ARG 3 2HH2 ARG 3 12.060 10.981 -0.743
34 H CYS 4 H CYS 4 7.460 3.721 2.960
35 HA CYS 4 HA CYS 4 5.449 5.103 1.454
36 HB2 CYS 4 2HB CYS 4 5.135 2.730 3.275
37 HB3 CYS 4 1HB CYS 4 4.108 3.200 1.922
38 H ASP 5 H ASP 5 5.796 4.108 4.857
39 HA ASP 5 HA ASP 5 5.019 4.808 6.810
40 HB2 ASP 5 2HB ASP 5 4.829 7.404 5.352
41 HB3 ASP 5 1HB ASP 5 4.122 7.271 6.960
42 H SER 6 H SER 6 3.133 4.250 4.339
43 HA SER 6 HA SER 6 0.572 4.955 5.198
44 HB2 SER 6 2HB SER 6 1.426 2.592 3.518
45 HB3 SER 6 1HB SER 6 -0.120 3.444 3.464
46 HG SER 6 HG SER 6 0.713 4.872 2.212
47 HA PRO 7 HA PRO 7 0.562 1.968 8.590
48 HB2 PRO 7 2HB PRO 7 -1.955 2.479 9.472
49 HB3 PRO 7 1HB PRO 7 -0.582 3.537 9.812
50 HG2 PRO 7 2HG PRO 7 -2.733 3.832 7.757
51 HG3 PRO 7 1HG PRO 7 -1.991 5.069 8.784
52 HD2 PRO 7 2HD PRO 7 -1.331 4.692 6.176
53 HD3 PRO 7 1HD PRO 7 -0.197 5.330 7.383
54 H PHE 8 H PHE 8 -1.806 2.119 6.038
55 HA PHE 8 HA PHE 8 -2.039 -0.713 5.955
56 HB2 PHE 8 2HB PHE 8 -4.512 -0.761 6.164
57 HB3 PHE 8 1HB PHE 8 -3.749 -0.247 7.659
58 HD1 PHE 8 1HD PHE 8 -4.158 1.934 8.564
59 HD2 PHE 8 2HD PHE 8 -5.763 0.850 4.776
60 HE1 PHE 8 1HE PHE 8 -5.639 3.893 8.629
61 HE2 PHE 8 2HE PHE 8 -7.237 2.820 4.839
62 HZ PHE 8 HZ PHE 8 -7.172 4.340 6.764
63 H CYS 9 H CYS 9 -3.813 -1.139 4.149
64 HA CYS 9 HA CYS 9 -4.529 0.865 2.378
65 HB2 CYS 9 2HB CYS 9 -2.029 0.731 1.885
66 HB3 CYS 9 1HB CYS 9 -2.308 -0.928 1.351
67 H SER 10 H SER 10 -5.634 -0.205 0.533
68 HA SER 10 HA SER 10 -6.192 -3.038 0.937
69 HB2 SER 10 2HB SER 10 -8.388 -0.961 1.065
70 HB3 SER 10 1HB SER 10 -8.565 -2.705 1.249
71 HG SER 10 HG SER 10 -6.837 -2.154 3.006
72 H LEU 11 H LEU 11 -7.733 -3.774 -0.821
73 HA LEU 11 HA LEU 11 -6.959 -2.704 -3.295
74 HB2 LEU 11 2HB LEU 11 -8.601 -4.292 -4.312
75 HB3 LEU 11 1HB LEU 11 -7.457 -4.992 -3.188
76 HG LEU 11 HG LEU 11 -9.303 -5.048 -1.467
77 HD11 LEU 11 1HD1 LEU 11 -11.603 -4.978 -2.268
78 HD12 LEU 11 2HD1 LEU 11 -11.023 -4.425 -3.844
79 HD13 LEU 11 3HD1 LEU 11 -10.804 -3.413 -2.421
80 HD21 LEU 11 1HD2 LEU 11 -9.720 -6.600 -4.001
81 HD22 LEU 11 2HD2 LEU 11 -10.354 -7.027 -2.410
82 HD23 LEU 11 3HD2 LEU 11 -8.613 -7.018 -2.695
83 H PHE 12 H PHE 12 -9.506 -1.966 -1.248
84 HA PHE 12 HA PHE 12 -11.040 -0.446 -3.160
85 HB2 PHE 12 2HB PHE 12 -11.116 -0.397 -0.128
86 HB3 PHE 12 1HB PHE 12 -12.233 0.472 -1.161
87 HD1 PHE 12 1HD PHE 12 -13.529 -1.030 -2.890
88 HD2 PHE 12 2HD PHE 12 -11.724 -2.456 0.701
89 HE1 PHE 12 1HE PHE 12 -15.048 -2.964 -2.889
90 HE2 PHE 12 2HE PHE 12 -13.239 -4.391 0.687
91 HZ PHE 12 HZ PHE 12 -14.899 -4.640 -1.101
92 H ARG 13 H ARG 13 -9.249 0.481 -0.264
93 HA ARG 13 HA ARG 13 -8.774 3.082 -1.441
94 HB2 ARG 13 2HB ARG 13 -8.511 2.073 1.372
95 HB3 ARG 13 1HB ARG 13 -7.789 3.598 0.890
96 HG2 ARG 13 2HG ARG 13 -9.857 4.104 1.939
97 HG3 ARG 13 1HG ARG 13 -10.105 4.343 0.213
98 HD2 ARG 13 2HD ARG 13 -12.005 3.213 1.148
99 HD3 ARG 13 1HD ARG 13 -11.133 2.110 0.095
100 HE ARG 13 HE ARG 13 -10.114 1.720 2.638
101 HH11 ARG 13 1HH1 ARG 13 -13.261 1.318 1.099
102 HH12 ARG 13 2HH1 ARG 13 -13.721 -0.009 2.064
103 HH21 ARG 13 1HH2 ARG 13 -10.741 -0.069 3.969
104 HH22 ARG 13 2HH2 ARG 13 -12.266 -0.803 3.771
105 H ILE 14 H ILE 14 -7.302 2.528 -2.912
106 HA ILE 14 HA ILE 14 -4.803 1.269 -2.089
107 HB ILE 14 HB ILE 14 -4.231 1.415 -4.533
108 HG12 ILE 14 2HG1 ILE 14 -7.085 2.407 -4.769
109 HG13 ILE 14 1HG1 ILE 14 -5.635 3.335 -5.126
110 HG21 ILE 14 1HG2 ILE 14 -6.779 -0.004 -3.800
111 HG22 ILE 14 2HG2 ILE 14 -5.138 -0.622 -3.622
112 HG23 ILE 14 3HG2 ILE 14 -5.808 -0.349 -5.234
113 HD11 ILE 14 1HD1 ILE 14 -5.125 1.804 -6.962
114 HD12 ILE 14 2HD1 ILE 14 -6.712 2.554 -7.150
115 HD13 ILE 14 3HD1 ILE 14 -6.583 0.887 -6.590
116 H GLY 15 H GLY 15 -6.069 4.242 -2.101
117 HA2 GLY 15 2HA GLY 15 -3.863 5.772 -3.123
118 HA3 GLY 15 1HA GLY 15 -5.291 6.398 -2.319
119 H LEU 16 H LEU 16 -4.206 4.088 -0.322
120 HA LEU 16 HA LEU 16 -3.088 5.889 1.566
121 HB2 LEU 16 2HB LEU 16 -3.185 2.900 1.426
122 HB3 LEU 16 1HB LEU 16 -2.200 3.681 2.636
123 HG LEU 16 HG LEU 16 -4.292 2.964 3.582
124 HD11 LEU 16 1HD1 LEU 16 -3.309 4.962 4.499
125 HD12 LEU 16 2HD1 LEU 16 -5.067 5.017 4.586
126 HD13 LEU 16 3HD1 LEU 16 -4.220 5.955 3.361
127 HD21 LEU 16 1HD2 LEU 16 -6.434 3.931 2.894
128 HD22 LEU 16 2HD2 LEU 16 -5.689 2.981 1.607
129 HD23 LEU 16 3HD2 LEU 16 -5.621 4.741 1.554
130 H CYS 17 H CYS 17 -1.709 3.790 -0.823
131 HA CYS 17 HA CYS 17 0.949 4.681 -0.064
132 HB2 CYS 17 2HB CYS 17 0.181 2.716 -2.234
133 HB3 CYS 17 1HB CYS 17 1.769 3.031 -1.597
134 H GLY 18 H GLY 18 1.650 6.470 -1.033
135 HA2 GLY 18 2HA GLY 18 0.517 7.072 -3.666
136 HA3 GLY 18 1HA GLY 18 0.605 8.282 -2.400
137 H ASP 19 H ASP 19 1.933 7.386 -5.113
138 HA ASP 19 HA ASP 19 3.490 8.399 -6.338
139 HB2 ASP 19 2HB ASP 19 3.299 10.232 -4.878
140 HB3 ASP 19 1HB ASP 19 4.464 9.555 -3.752
141 H LYS 20 H LYS 20 4.454 6.815 -3.548
142 HA LYS 20 HA LYS 20 6.994 6.039 -4.896
143 HB2 LYS 20 2HB LYS 20 6.635 6.291 -1.932
144 HB3 LYS 20 1HB LYS 20 8.134 6.045 -2.821
145 HG2 LYS 20 2HG LYS 20 7.767 8.230 -3.926
146 HG3 LYS 20 1HG LYS 20 6.371 8.468 -2.887
147 HD2 LYS 20 2HD LYS 20 7.886 8.185 -0.943
148 HD3 LYS 20 1HD LYS 20 9.249 8.232 -2.068
149 HE2 LYS 20 2HE LYS 20 7.209 10.395 -1.574
150 HE3 LYS 20 1HE LYS 20 8.933 10.459 -1.227
151 HZ1 LYS 20 1HZ LYS 20 7.687 10.366 -3.940
152 HZ2 LYS 20 2HZ LYS 20 9.352 10.326 -3.629
153 HZ3 LYS 20 3HZ LYS 20 8.461 11.677 -3.214
154 H CYS 21 H CYS 21 4.192 4.769 -3.258
155 HA CYS 21 HA CYS 21 5.476 2.170 -3.305
156 HB2 CYS 21 2HB CYS 21 3.838 3.263 -1.019
157 HB3 CYS 21 1HB CYS 21 4.452 1.629 -1.163
158 H THR 22 H THR 22 3.907 0.438 -3.124
159 HA THR 22 HA THR 22 1.248 1.104 -4.063
160 HB THR 22 HB THR 22 3.068 -1.048 -5.217
161 HG1 THR 22 1HG THR 22 2.201 0.934 -6.907
162 HG21 THR 22 1HG2 THR 22 1.312 -1.296 -6.923
163 HG22 THR 22 2HG2 THR 22 0.343 -0.074 -6.101
164 HG23 THR 22 3HG2 THR 22 0.678 -1.613 -5.308
165 H CYS 23 H CYS 23 -0.247 -0.251 -3.012
166 HA CYS 23 HA CYS 23 0.977 -2.065 -1.115
167 HB2 CYS 23 2HB CYS 23 -1.196 -2.142 -0.010
168 HB3 CYS 23 1HB CYS 23 -0.574 -0.502 -0.145
169 H VAL 24 H VAL 24 0.543 -4.144 -0.954
170 HA VAL 24 HA VAL 24 -0.780 -5.323 -3.275
171 HB VAL 24 HB VAL 24 1.132 -6.613 -1.301
172 HG11 VAL 24 1HG1 VAL 24 1.182 -8.467 -2.915
173 HG12 VAL 24 2HG1 VAL 24 -0.040 -7.638 -3.882
174 HG13 VAL 24 3HG1 VAL 24 -0.431 -8.199 -2.258
175 HG21 VAL 24 1HG2 VAL 24 2.279 -4.960 -2.686
176 HG22 VAL 24 2HG2 VAL 24 1.621 -5.707 -4.141
177 HG23 VAL 24 3HG2 VAL 24 2.762 -6.596 -3.132
178 HA PRO 25 HA PRO 25 -3.882 -6.030 -0.018
179 HB2 PRO 25 2HB PRO 25 -5.587 -6.717 -2.298
180 HB3 PRO 25 1HB PRO 25 -5.798 -5.448 -1.087
181 HG2 PRO 25 2HG PRO 25 -5.187 -4.886 -3.657
182 HG3 PRO 25 1HG PRO 25 -4.608 -3.898 -2.303
183 HD2 PRO 25 2HD PRO 25 -3.160 -5.992 -3.877
184 HD3 PRO 25 1HD PRO 25 -2.597 -4.412 -3.291
185 H LEU 26 H LEU 26 -4.042 -7.921 1.005
186 HA LEU 26 HA LEU 26 -4.144 -10.256 -0.641
187 HB2 LEU 26 2HB LEU 26 -2.504 -11.354 1.074
188 HB3 LEU 26 1HB LEU 26 -1.933 -10.421 -0.288
189 HG LEU 26 HG LEU 26 -1.665 -8.462 1.312
190 HD11 LEU 26 1HD1 LEU 26 -1.949 -10.577 3.423
191 HD12 LEU 26 2HD1 LEU 26 -3.035 -9.217 3.144
192 HD13 LEU 26 3HD1 LEU 26 -1.375 -8.926 3.672
193 HD21 LEU 26 1HD2 LEU 26 0.019 -10.918 1.727
194 HD22 LEU 26 2HD2 LEU 26 0.479 -9.277 2.181
195 HD23 LEU 26 3HD2 LEU 26 0.228 -9.685 0.484
196 HA PRO 27 HA PRO 27 -5.825 -10.514 -1.313
197 HB2 PRO 27 2HB PRO 27 -8.642 -11.057 -1.021
198 HB3 PRO 27 1HB PRO 27 -7.411 -12.076 -1.773
199 HG2 PRO 27 2HG PRO 27 -8.689 -12.787 0.514
200 HG3 PRO 27 1HG PRO 27 -7.018 -13.257 0.161
201 HD2 PRO 27 2HD PRO 27 -8.006 -10.975 1.845
202 HD3 PRO 27 1HD PRO 27 -6.761 -12.190 2.230
203 H ILE 28 H ILE 28 -7.625 -9.058 1.296
204 HA ILE 28 HA ILE 28 -8.687 -6.985 -0.512
205 HB ILE 28 HB ILE 28 -9.525 -7.608 2.341
206 HG12 ILE 28 2HG1 ILE 28 -10.988 -8.124 -0.259
207 HG13 ILE 28 1HG1 ILE 28 -10.149 -9.353 0.680
208 HG21 ILE 28 1HG2 ILE 28 -10.723 -5.689 0.331
209 HG22 ILE 28 2HG2 ILE 28 -9.835 -5.245 1.789
210 HG23 ILE 28 3HG2 ILE 28 -11.391 -6.063 1.921
211 HD11 ILE 28 1HD1 ILE 28 -12.573 -9.379 1.044
212 HD12 ILE 28 2HD1 ILE 28 -12.485 -7.722 1.650
213 HD13 ILE 28 3HD1 ILE 28 -11.680 -9.024 2.519
214 H PHE 29 H PHE 29 -7.349 -7.245 2.766
215 HA PHE 29 HA PHE 29 -6.348 -4.507 2.607
216 HB2 PHE 29 2HB PHE 29 -6.377 -6.536 4.863
217 HB3 PHE 29 1HB PHE 29 -5.671 -4.933 4.997
218 HD1 PHE 29 1HD PHE 29 -8.788 -6.850 4.735
219 HD2 PHE 29 2HD PHE 29 -7.062 -3.002 5.267
220 HE1 PHE 29 1HE PHE 29 -10.965 -5.975 5.464
221 HE2 PHE 29 2HE PHE 29 -9.239 -2.128 5.990
222 HZ PHE 29 HZ PHE 29 -11.186 -3.604 6.091
223 H GLY 30 H GLY 30 -4.077 -4.089 2.750
224 HA2 GLY 30 2HA GLY 30 -2.395 -6.455 2.615
225 HA3 GLY 30 1HA GLY 30 -2.441 -5.453 1.182
226 H LEU 31 H LEU 31 -0.166 -5.633 1.776
227 HA LEU 31 HA LEU 31 0.722 -3.727 3.818
228 HB2 LEU 31 2HB LEU 31 2.250 -5.754 2.194
229 HB3 LEU 31 1HB LEU 31 2.921 -4.751 3.459
230 HG LEU 31 HG LEU 31 0.853 -6.918 3.834
231 HD11 LEU 31 1HD1 LEU 31 3.046 -7.808 3.303
232 HD12 LEU 31 2HD1 LEU 31 2.633 -8.112 4.989
233 HD13 LEU 31 3HD1 LEU 31 3.766 -6.827 4.579
234 HD21 LEU 31 1HD2 LEU 31 0.537 -5.138 5.454
235 HD22 LEU 31 2HD2 LEU 31 2.255 -5.160 5.845
236 HD23 LEU 31 3HD2 LEU 31 1.246 -6.551 6.239
237 H CYS 32 H CYS 32 2.271 -2.116 3.209
238 HA CYS 32 HA CYS 32 1.938 -1.291 0.421
239 HB2 CYS 32 2HB CYS 32 1.179 0.215 2.319
240 HB3 CYS 32 1HB CYS 32 2.879 0.371 2.757
241 H VAL 33 H VAL 33 3.668 -1.523 -0.890
242 HA VAL 33 HA VAL 33 6.284 -1.747 0.394
243 HB VAL 33 HB VAL 33 5.411 -3.954 -0.354
244 HG11 VAL 33 1HG1 VAL 33 4.021 -3.313 -2.196
245 HG12 VAL 33 2HG1 VAL 33 5.204 -4.513 -2.723
246 HG13 VAL 33 3HG1 VAL 33 5.432 -2.812 -3.129
247 HG21 VAL 33 1HG2 VAL 33 7.794 -3.009 -1.944
248 HG22 VAL 33 2HG2 VAL 33 7.357 -4.695 -1.671
249 HG23 VAL 33 3HG2 VAL 33 7.815 -3.677 -0.310
250 HA PRO 34 HA PRO 34 7.461 1.562 -2.409
251 HB2 PRO 34 2HB PRO 34 10.158 0.935 -2.566
252 HB3 PRO 34 1HB PRO 34 9.441 1.880 -1.258
253 HG2 PRO 34 2HG PRO 34 10.105 -1.025 -1.358
254 HG3 PRO 34 1HG PRO 34 10.366 0.125 -0.033
255 HD2 PRO 34 2HD PRO 34 8.343 -1.599 0.025
256 HD3 PRO 34 1HD PRO 34 8.121 0.065 0.604
257 H ASP 35 H ASP 35 7.022 1.420 -4.510
258 HA ASP 35 HA ASP 35 7.706 -1.089 -5.897
259 HB2 ASP 35 2HB ASP 35 5.282 -0.491 -5.746
260 HB3 ASP 35 1HB ASP 35 5.638 0.964 -6.671
261 H VAL 36 H VAL 36 7.563 2.415 -6.336
262 HA VAL 36 HA VAL 36 9.412 2.117 -8.555
263 HB VAL 36 HB VAL 36 7.951 4.620 -7.659
264 HG11 VAL 36 1HG1 VAL 36 9.999 5.067 -8.878
265 HG12 VAL 36 2HG1 VAL 36 8.598 5.493 -9.868
266 HG13 VAL 36 3HG1 VAL 36 9.483 3.996 -10.180
267 HG21 VAL 36 1HG2 VAL 36 6.362 2.940 -8.426
268 HG22 VAL 36 2HG2 VAL 36 7.284 2.734 -9.915
269 HG23 VAL 36 3HG2 VAL 36 6.472 4.263 -9.583
Start of MODEL 15
1 H1 LEU 1 1HT LEU 1 15.497 7.490 -1.940
2 H2 LEU 1 2HT LEU 1 14.984 7.694 -0.342
3 H3 LEU 1 3HT LEU 1 14.149 8.437 -1.593
4 HA LEU 1 HA LEU 1 13.392 6.435 -2.460
5 HB2 LEU 1 2HB LEU 1 14.921 5.184 -0.178
6 HB3 LEU 1 1HB LEU 1 13.757 4.323 -1.169
7 HG LEU 1 HG LEU 1 16.263 5.602 -2.161
8 HD11 LEU 1 1HD1 LEU 1 17.103 3.287 -2.422
9 HD12 LEU 1 2HD1 LEU 1 15.631 2.684 -1.662
10 HD13 LEU 1 3HD1 LEU 1 16.761 3.671 -0.734
11 HD21 LEU 1 1HD2 LEU 1 15.827 4.291 -4.217
12 HD22 LEU 1 2HD2 LEU 1 14.614 5.525 -3.900
13 HD23 LEU 1 3HD2 LEU 1 14.261 3.833 -3.549
14 HA PRO 2 HA PRO 2 10.156 7.828 0.141
15 HB2 PRO 2 2HB PRO 2 8.124 6.661 -1.176
16 HB3 PRO 2 1HB PRO 2 8.999 8.047 -1.835
17 HG2 PRO 2 2HG PRO 2 9.289 5.143 -2.484
18 HG3 PRO 2 1HG PRO 2 9.285 6.537 -3.579
19 HD2 PRO 2 2HD PRO 2 11.597 5.300 -2.750
20 HD3 PRO 2 1HD PRO 2 11.513 7.014 -3.165
21 H ARG 3 H ARG 3 9.216 7.252 1.886
22 HA ARG 3 HA ARG 3 8.811 4.408 2.403
23 HB2 ARG 3 2HB ARG 3 9.660 6.566 4.342
24 HB3 ARG 3 1HB ARG 3 9.196 4.938 4.800
25 HG2 ARG 3 2HG ARG 3 11.078 4.078 3.442
26 HG3 ARG 3 1HG ARG 3 11.569 5.746 3.136
27 HD2 ARG 3 2HD ARG 3 11.834 6.090 5.559
28 HD3 ARG 3 1HD ARG 3 11.366 4.413 5.835
29 HE ARG 3 HE ARG 3 13.684 5.017 4.154
30 HH11 ARG 3 1HH1 ARG 3 12.418 3.588 7.135
31 HH12 ARG 3 2HH1 ARG 3 13.887 2.826 7.543
32 HH21 ARG 3 1HH2 ARG 3 15.686 3.909 4.724
33 HH22 ARG 3 2HH2 ARG 3 15.749 2.996 6.160
34 H CYS 4 H CYS 4 6.706 4.149 2.179
35 HA CYS 4 HA CYS 4 4.826 6.221 2.806
36 HB2 CYS 4 2HB CYS 4 4.336 3.311 2.141
37 HB3 CYS 4 1HB CYS 4 3.127 4.592 2.152
38 H ASP 5 H ASP 5 5.982 3.249 4.251
39 HA ASP 5 HA ASP 5 5.720 2.233 6.219
40 HB2 ASP 5 2HB ASP 5 5.415 5.087 7.161
41 HB3 ASP 5 1HB ASP 5 5.592 3.713 8.246
42 H SER 6 H SER 6 3.444 2.336 4.682
43 HA SER 6 HA SER 6 1.233 2.986 6.403
44 HB2 SER 6 2HB SER 6 1.285 1.695 3.678
45 HB3 SER 6 1HB SER 6 -0.120 2.412 4.481
46 HG SER 6 HG SER 6 1.815 4.167 4.562
47 HA PRO 7 HA PRO 7 1.454 -1.065 8.236
48 HB2 PRO 7 2HB PRO 7 -0.862 -0.896 9.687
49 HB3 PRO 7 1HB PRO 7 0.654 -0.137 10.185
50 HG2 PRO 7 2HG PRO 7 -1.718 1.080 8.840
51 HG3 PRO 7 1HG PRO 7 -0.703 1.742 10.131
52 HD2 PRO 7 2HD PRO 7 -0.452 2.483 7.533
53 HD3 PRO 7 1HD PRO 7 0.923 2.449 8.658
54 H PHE 8 H PHE 8 -1.377 0.194 6.623
55 HA PHE 8 HA PHE 8 -1.904 -2.378 5.451
56 HB2 PHE 8 2HB PHE 8 -3.966 -0.777 6.993
57 HB3 PHE 8 1HB PHE 8 -4.383 -2.022 5.826
58 HD1 PHE 8 1HD PHE 8 -3.976 -4.366 6.320
59 HD2 PHE 8 2HD PHE 8 -3.106 -1.328 9.167
60 HE1 PHE 8 1HE PHE 8 -3.846 -6.066 8.092
61 HE2 PHE 8 2HE PHE 8 -2.970 -3.020 10.938
62 HZ PHE 8 HZ PHE 8 -3.344 -5.394 10.404
63 H CYS 9 H CYS 9 -3.453 -2.104 3.712
64 HA CYS 9 HA CYS 9 -3.952 0.497 2.624
65 HB2 CYS 9 2HB CYS 9 -1.606 -0.088 1.879
66 HB3 CYS 9 1HB CYS 9 -2.260 -1.564 1.177
67 H SER 10 H SER 10 -5.319 -0.015 0.556
68 HA SER 10 HA SER 10 -6.507 -2.672 0.651
69 HB2 SER 10 2HB SER 10 -8.136 -0.147 1.006
70 HB3 SER 10 1HB SER 10 -8.755 -1.796 0.941
71 HG SER 10 HG SER 10 -6.898 -1.710 2.818
72 H LEU 11 H LEU 11 -8.085 -2.871 -1.214
73 HA LEU 11 HA LEU 11 -6.961 -1.671 -3.502
74 HB2 LEU 11 2HB LEU 11 -8.688 -2.834 -4.816
75 HB3 LEU 11 1HB LEU 11 -7.903 -3.881 -3.660
76 HG LEU 11 HG LEU 11 -10.007 -3.531 -2.201
77 HD11 LEU 11 1HD1 LEU 11 -10.956 -1.658 -3.433
78 HD12 LEU 11 2HD1 LEU 11 -12.052 -3.039 -3.414
79 HD13 LEU 11 3HD1 LEU 11 -11.117 -2.676 -4.864
80 HD21 LEU 11 1HD2 LEU 11 -10.212 -5.024 -4.800
81 HD22 LEU 11 2HD2 LEU 11 -11.183 -5.313 -3.355
82 HD23 LEU 11 3HD2 LEU 11 -9.445 -5.614 -3.330
83 H PHE 12 H PHE 12 -9.516 -0.814 -1.462
84 HA PHE 12 HA PHE 12 -10.597 1.282 -3.146
85 HB2 PHE 12 2HB PHE 12 -10.945 0.860 -0.160
86 HB3 PHE 12 1HB PHE 12 -11.887 1.954 -1.157
87 HD1 PHE 12 1HD PHE 12 -13.261 0.869 -3.060
88 HD2 PHE 12 2HD PHE 12 -11.681 -1.288 0.257
89 HE1 PHE 12 1HE PHE 12 -14.908 -0.899 -3.430
90 HE2 PHE 12 2HE PHE 12 -13.324 -3.069 -0.116
91 HZ PHE 12 HZ PHE 12 -14.943 -2.885 -1.962
92 H ARG 13 H ARG 13 -8.705 1.115 -0.163
93 HA ARG 13 HA ARG 13 -7.893 3.892 -0.502
94 HB2 ARG 13 2HB ARG 13 -7.651 2.037 1.875
95 HB3 ARG 13 1HB ARG 13 -6.827 3.575 1.796
96 HG2 ARG 13 2HG ARG 13 -8.763 3.867 3.119
97 HG3 ARG 13 1HG ARG 13 -9.069 4.670 1.592
98 HD2 ARG 13 2HD ARG 13 -10.360 2.729 0.844
99 HD3 ARG 13 1HD ARG 13 -10.048 1.948 2.395
100 HE ARG 13 HE ARG 13 -11.220 4.501 2.723
101 HH11 ARG 13 1HH1 ARG 13 -12.010 1.140 1.982
102 HH12 ARG 13 2HH1 ARG 13 -13.644 1.278 2.424
103 HH21 ARG 13 1HH2 ARG 13 -13.437 4.671 3.362
104 HH22 ARG 13 2HH2 ARG 13 -14.479 3.338 3.248
105 H ILE 14 H ILE 14 -6.501 3.549 -2.209
106 HA ILE 14 HA ILE 14 -4.074 1.993 -1.643
107 HB ILE 14 HB ILE 14 -3.482 2.440 -4.041
108 HG12 ILE 14 2HG1 ILE 14 -6.287 3.565 -4.199
109 HG13 ILE 14 1HG1 ILE 14 -4.805 4.504 -4.337
110 HG21 ILE 14 1HG2 ILE 14 -5.096 0.871 -5.016
111 HG22 ILE 14 2HG2 ILE 14 -6.121 1.063 -3.594
112 HG23 ILE 14 3HG2 ILE 14 -4.520 0.344 -3.434
113 HD11 ILE 14 1HD1 ILE 14 -4.247 3.302 -6.388
114 HD12 ILE 14 2HD1 ILE 14 -5.830 4.079 -6.507
115 HD13 ILE 14 3HD1 ILE 14 -5.718 2.343 -6.223
116 H GLY 15 H GLY 15 -5.284 4.990 -1.275
117 HA2 GLY 15 2HA GLY 15 -3.284 6.728 -2.207
118 HA3 GLY 15 1HA GLY 15 -4.480 7.106 -0.982
119 H LEU 16 H LEU 16 -3.276 4.655 0.469
120 HA LEU 16 HA LEU 16 -1.533 6.076 2.191
121 HB2 LEU 16 2HB LEU 16 -1.962 3.112 1.838
122 HB3 LEU 16 1HB LEU 16 -0.958 3.792 3.099
123 HG LEU 16 HG LEU 16 -2.965 3.167 4.112
124 HD11 LEU 16 1HD1 LEU 16 -3.959 5.227 4.914
125 HD12 LEU 16 2HD1 LEU 16 -3.147 6.117 3.631
126 HD13 LEU 16 3HD1 LEU 16 -2.198 5.300 4.875
127 HD21 LEU 16 1HD2 LEU 16 -5.190 3.821 3.350
128 HD22 LEU 16 2HD2 LEU 16 -4.342 2.874 2.127
129 HD23 LEU 16 3HD2 LEU 16 -4.478 4.623 1.951
130 H CYS 17 H CYS 17 -1.067 3.995 -0.557
131 HA CYS 17 HA CYS 17 1.854 4.213 -0.289
132 HB2 CYS 17 2HB CYS 17 0.210 2.233 -1.855
133 HB3 CYS 17 1HB CYS 17 1.944 2.171 -1.563
134 H GLY 18 H GLY 18 -0.365 5.900 -1.514
135 HA2 GLY 18 2HA GLY 18 -0.762 5.905 -4.180
136 HA3 GLY 18 1HA GLY 18 -0.627 7.371 -3.237
137 H ASP 19 H ASP 19 0.839 5.240 -5.447
138 HA ASP 19 HA ASP 19 2.292 5.405 -7.085
139 HB2 ASP 19 2HB ASP 19 1.316 7.633 -7.360
140 HB3 ASP 19 1HB ASP 19 2.621 8.322 -6.401
141 H LYS 20 H LYS 20 3.134 6.243 -4.034
142 HA LYS 20 HA LYS 20 6.003 6.437 -4.347
143 HB2 LYS 20 2HB LYS 20 4.281 6.097 -1.903
144 HB3 LYS 20 1HB LYS 20 6.010 6.365 -1.867
145 HG2 LYS 20 2HG LYS 20 4.142 8.275 -3.195
146 HG3 LYS 20 1HG LYS 20 4.473 8.351 -1.466
147 HD2 LYS 20 2HD LYS 20 6.845 8.641 -1.932
148 HD3 LYS 20 1HD LYS 20 6.533 8.510 -3.664
149 HE2 LYS 20 2HE LYS 20 6.792 10.843 -2.890
150 HE3 LYS 20 1HE LYS 20 5.227 10.519 -3.631
151 HZ1 LYS 20 1HZ LYS 20 5.740 10.669 -0.692
152 HZ2 LYS 20 2HZ LYS 20 4.255 10.370 -1.432
153 HZ3 LYS 20 3HZ LYS 20 5.001 11.856 -1.641
154 H CYS 21 H CYS 21 3.764 4.044 -3.008
155 HA CYS 21 HA CYS 21 5.881 2.002 -3.152
156 HB2 CYS 21 2HB CYS 21 3.845 2.217 -0.912
157 HB3 CYS 21 1HB CYS 21 5.204 1.112 -1.016
158 H THR 22 H THR 22 4.546 -0.253 -2.649
159 HA THR 22 HA THR 22 2.145 -0.118 -4.316
160 HB THR 22 HB THR 22 4.169 -2.379 -4.210
161 HG1 THR 22 1HG THR 22 4.058 -0.060 -5.741
162 HG21 THR 22 1HG2 THR 22 2.985 -3.197 -6.205
163 HG22 THR 22 2HG2 THR 22 1.884 -1.824 -6.123
164 HG23 THR 22 3HG2 THR 22 1.873 -3.039 -4.845
165 H CYS 23 H CYS 23 0.399 -1.226 -3.372
166 HA CYS 23 HA CYS 23 1.138 -2.876 -1.092
167 HB2 CYS 23 2HB CYS 23 -1.009 -2.403 -0.066
168 HB3 CYS 23 1HB CYS 23 -0.070 -0.928 -0.256
169 H VAL 24 H VAL 24 0.007 -4.788 -0.800
170 HA VAL 24 HA VAL 24 -1.289 -5.677 -3.280
171 HB VAL 24 HB VAL 24 0.154 -7.409 -1.249
172 HG11 VAL 24 1HG1 VAL 24 -0.010 -9.162 -2.962
173 HG12 VAL 24 2HG1 VAL 24 -0.941 -8.066 -3.981
174 HG13 VAL 24 3HG1 VAL 24 -1.598 -8.602 -2.435
175 HG21 VAL 24 1HG2 VAL 24 1.096 -6.492 -3.968
176 HG22 VAL 24 2HG2 VAL 24 1.922 -7.657 -2.934
177 HG23 VAL 24 3HG2 VAL 24 1.752 -5.981 -2.414
178 HA PRO 25 HA PRO 25 -4.709 -5.945 -0.260
179 HB2 PRO 25 2HB PRO 25 -6.274 -5.993 -2.760
180 HB3 PRO 25 1HB PRO 25 -6.417 -4.903 -1.378
181 HG2 PRO 25 2HG PRO 25 -5.445 -4.039 -3.710
182 HG3 PRO 25 1HG PRO 25 -4.780 -3.468 -2.169
183 HD2 PRO 25 2HD PRO 25 -3.707 -5.556 -4.030
184 HD3 PRO 25 1HD PRO 25 -2.852 -4.242 -3.195
185 H LEU 26 H LEU 26 -5.148 -7.961 0.480
186 HA LEU 26 HA LEU 26 -5.687 -10.013 -1.485
187 HB2 LEU 26 2HB LEU 26 -4.426 -11.705 -0.252
188 HB3 LEU 26 1HB LEU 26 -3.402 -10.414 -0.822
189 HG LEU 26 HG LEU 26 -4.338 -10.665 2.045
190 HD11 LEU 26 1HD1 LEU 26 -1.761 -11.547 0.773
191 HD12 LEU 26 2HD1 LEU 26 -3.018 -12.594 1.448
192 HD13 LEU 26 3HD1 LEU 26 -2.098 -11.526 2.501
193 HD21 LEU 26 1HD2 LEU 26 -3.603 -8.416 1.386
194 HD22 LEU 26 2HD2 LEU 26 -2.069 -9.085 0.830
195 HD23 LEU 26 3HD2 LEU 26 -2.498 -9.153 2.541
196 HA PRO 27 HA PRO 27 -7.346 -9.989 -2.194
197 HB2 PRO 27 2HB PRO 27 -9.946 -10.268 -2.616
198 HB3 PRO 27 1HB PRO 27 -8.942 -11.682 -2.280
199 HG2 PRO 27 2HG PRO 27 -10.839 -10.243 -0.489
200 HG3 PRO 27 1HG PRO 27 -10.502 -11.973 -0.607
201 HD2 PRO 27 2HD PRO 27 -9.445 -10.225 1.285
202 HD3 PRO 27 1HD PRO 27 -8.828 -11.842 0.922
203 H ILE 28 H ILE 28 -8.621 -8.283 0.430
204 HA ILE 28 HA ILE 28 -9.401 -6.020 -1.301
205 HB ILE 28 HB ILE 28 -10.593 -6.741 1.395
206 HG12 ILE 28 2HG1 ILE 28 -11.839 -6.766 -1.362
207 HG13 ILE 28 1HG1 ILE 28 -11.314 -8.195 -0.482
208 HG21 ILE 28 1HG2 ILE 28 -11.278 -4.472 -0.489
209 HG22 ILE 28 2HG2 ILE 28 -10.479 -4.312 1.076
210 HG23 ILE 28 3HG2 ILE 28 -12.148 -4.876 0.992
211 HD11 ILE 28 1HD1 ILE 28 -13.719 -7.878 -0.348
212 HD12 ILE 28 2HD1 ILE 28 -13.469 -6.288 0.383
213 HD13 ILE 28 3HD1 ILE 28 -12.961 -7.744 1.239
214 H PHE 29 H PHE 29 -8.200 -6.860 1.934
215 HA PHE 29 HA PHE 29 -6.923 -4.239 2.128
216 HB2 PHE 29 2HB PHE 29 -7.370 -6.371 4.240
217 HB3 PHE 29 1HB PHE 29 -6.726 -4.759 4.515
218 HD1 PHE 29 1HD PHE 29 -8.184 -2.816 4.466
219 HD2 PHE 29 2HD PHE 29 -9.742 -6.733 3.901
220 HE1 PHE 29 1HE PHE 29 -10.443 -1.978 4.849
221 HE2 PHE 29 2HE PHE 29 -12.004 -5.896 4.277
222 HZ PHE 29 HZ PHE 29 -12.369 -3.512 4.753
223 H GLY 30 H GLY 30 -4.683 -4.187 2.605
224 HA2 GLY 30 2HA GLY 30 -3.250 -6.692 2.654
225 HA3 GLY 30 1HA GLY 30 -3.024 -5.723 1.207
226 H LEU 31 H LEU 31 -0.841 -6.065 2.208
227 HA LEU 31 HA LEU 31 -0.244 -3.982 4.178
228 HB2 LEU 31 2HB LEU 31 1.474 -6.246 3.149
229 HB3 LEU 31 1HB LEU 31 1.910 -5.137 4.423
230 HG LEU 31 HG LEU 31 -0.252 -7.236 4.542
231 HD11 LEU 31 1HD1 LEU 31 2.351 -6.973 6.023
232 HD12 LEU 31 2HD1 LEU 31 2.007 -8.117 4.726
233 HD13 LEU 31 3HD1 LEU 31 1.143 -8.235 6.261
234 HD21 LEU 31 1HD2 LEU 31 -0.521 -6.565 6.890
235 HD22 LEU 31 2HD2 LEU 31 -0.963 -5.272 5.781
236 HD23 LEU 31 3HD2 LEU 31 0.588 -5.219 6.620
237 H CYS 32 H CYS 32 1.909 -2.821 3.671
238 HA CYS 32 HA CYS 32 1.867 -2.203 0.804
239 HB2 CYS 32 2HB CYS 32 0.967 -0.410 2.330
240 HB3 CYS 32 1HB CYS 32 2.586 -0.296 3.023
241 H VAL 33 H VAL 33 3.768 -2.156 -0.239
242 HA VAL 33 HA VAL 33 6.157 -2.531 1.353
243 HB VAL 33 HB VAL 33 5.490 -4.741 0.594
244 HG11 VAL 33 1HG1 VAL 33 4.061 -4.149 -1.269
245 HG12 VAL 33 2HG1 VAL 33 5.266 -5.339 -1.760
246 HG13 VAL 33 3HG1 VAL 33 5.464 -3.644 -2.210
247 HG21 VAL 33 1HG2 VAL 33 7.874 -4.276 0.592
248 HG22 VAL 33 2HG2 VAL 33 7.773 -3.720 -1.080
249 HG23 VAL 33 3HG2 VAL 33 7.443 -5.409 -0.688
250 HA PRO 34 HA PRO 34 7.510 0.688 -1.418
251 HB2 PRO 34 2HB PRO 34 10.143 0.687 -0.670
252 HB3 PRO 34 1HB PRO 34 8.879 1.512 0.250
253 HG2 PRO 34 2HG PRO 34 10.188 -1.112 0.755
254 HG3 PRO 34 1HG PRO 34 9.653 0.128 1.900
255 HD2 PRO 34 2HD PRO 34 8.258 -2.166 1.397
256 HD3 PRO 34 1HD PRO 34 7.497 -0.657 1.938
257 H ASP 35 H ASP 35 8.133 0.491 -3.421
258 HA ASP 35 HA ASP 35 9.357 -2.038 -4.297
259 HB2 ASP 35 2HB ASP 35 7.181 -1.376 -5.318
260 HB3 ASP 35 1HB ASP 35 7.971 0.087 -5.906
261 H VAL 36 H VAL 36 9.572 1.416 -4.443
262 HA VAL 36 HA VAL 36 12.194 1.190 -5.607
263 HB VAL 36 HB VAL 36 10.809 2.553 -7.060
264 HG11 VAL 36 1HG1 VAL 36 9.670 4.584 -6.364
265 HG12 VAL 36 2HG1 VAL 36 10.119 4.265 -4.688
266 HG13 VAL 36 3HG1 VAL 36 9.034 3.162 -5.535
267 HG21 VAL 36 1HG2 VAL 36 12.604 4.353 -5.441
268 HG22 VAL 36 2HG2 VAL 36 11.987 4.709 -7.053
269 HG23 VAL 36 3HG2 VAL 36 13.084 3.350 -6.810
Start of MODEL 16
1 H1 LEU 1 1HT LEU 1 14.638 7.475 3.439
2 H2 LEU 1 2HT LEU 1 15.104 8.550 2.223
3 H3 LEU 1 3HT LEU 1 16.196 7.389 2.766
4 HA LEU 1 HA LEU 1 15.232 6.819 0.635
5 HB2 LEU 1 2HB LEU 1 15.798 5.081 2.406
6 HB3 LEU 1 1HB LEU 1 14.097 5.095 2.842
7 HG LEU 1 HG LEU 1 13.582 4.290 0.530
8 HD11 LEU 1 1HD1 LEU 1 15.646 5.021 -0.576
9 HD12 LEU 1 2HD1 LEU 1 15.384 3.289 -0.772
10 HD13 LEU 1 3HD1 LEU 1 16.568 3.875 0.395
11 HD21 LEU 1 1HD2 LEU 1 15.362 2.590 2.265
12 HD22 LEU 1 2HD2 LEU 1 14.312 1.983 0.989
13 HD23 LEU 1 3HD2 LEU 1 13.613 2.770 2.408
14 HA PRO 2 HA PRO 2 10.985 8.211 0.040
15 HB2 PRO 2 2HB PRO 2 10.827 5.898 -1.823
16 HB3 PRO 2 1HB PRO 2 10.446 7.599 -2.123
17 HG2 PRO 2 2HG PRO 2 12.670 6.536 -3.109
18 HG3 PRO 2 1HG PRO 2 12.665 8.182 -2.448
19 HD2 PRO 2 2HD PRO 2 13.698 5.655 -1.190
20 HD3 PRO 2 1HD PRO 2 14.369 7.296 -1.148
21 H ARG 3 H ARG 3 9.226 7.711 1.098
22 HA ARG 3 HA ARG 3 9.159 5.103 2.383
23 HB2 ARG 3 2HB ARG 3 8.123 7.783 3.226
24 HB3 ARG 3 1HB ARG 3 7.696 6.289 4.040
25 HG2 ARG 3 2HG ARG 3 9.968 5.915 4.676
26 HG3 ARG 3 1HG ARG 3 10.517 7.271 3.687
27 HD2 ARG 3 2HD ARG 3 8.598 7.516 5.994
28 HD3 ARG 3 1HD ARG 3 10.335 7.792 6.118
29 HE ARG 3 HE ARG 3 9.909 9.476 4.263
30 HH11 ARG 3 1HH1 ARG 3 7.571 8.832 6.843
31 HH12 ARG 3 2HH1 ARG 3 6.927 10.394 6.859
32 HH21 ARG 3 1HH2 ARG 3 9.047 11.634 4.273
33 HH22 ARG 3 2HH2 ARG 3 7.811 12.062 5.366
34 H CYS 4 H CYS 4 7.292 4.013 2.560
35 HA CYS 4 HA CYS 4 5.228 4.405 0.608
36 HB2 CYS 4 2HB CYS 4 5.282 2.559 3.005
37 HB3 CYS 4 1HB CYS 4 4.245 2.417 1.589
38 H ASP 5 H ASP 5 5.717 4.716 4.039
39 HA ASP 5 HA ASP 5 4.910 5.996 5.632
40 HB2 ASP 5 2HB ASP 5 4.879 7.857 4.056
41 HB3 ASP 5 1HB ASP 5 3.310 7.350 3.449
42 H SER 6 H SER 6 3.434 3.645 4.301
43 HA SER 6 HA SER 6 1.368 3.588 6.280
44 HB2 SER 6 2HB SER 6 0.741 3.289 3.338
45 HB3 SER 6 1HB SER 6 -0.380 2.940 4.656
46 HG SER 6 HG SER 6 0.535 5.288 5.179
47 HA PRO 7 HA PRO 7 2.864 -0.579 6.201
48 HB2 PRO 7 2HB PRO 7 1.252 -1.559 8.158
49 HB3 PRO 7 1HB PRO 7 2.647 -0.533 8.495
50 HG2 PRO 7 2HG PRO 7 -0.250 0.144 8.491
51 HG3 PRO 7 1HG PRO 7 1.055 0.784 9.502
52 HD2 PRO 7 2HD PRO 7 -0.040 2.065 7.253
53 HD3 PRO 7 1HD PRO 7 1.524 2.441 8.016
54 H PHE 8 H PHE 8 -0.625 0.021 6.316
55 HA PHE 8 HA PHE 8 -1.005 -2.259 4.562
56 HB2 PHE 8 2HB PHE 8 -2.766 -1.320 6.825
57 HB3 PHE 8 1HB PHE 8 -3.302 -2.459 5.594
58 HD1 PHE 8 1HD PHE 8 -1.273 -1.998 8.582
59 HD2 PHE 8 2HD PHE 8 -2.302 -4.683 5.447
60 HE1 PHE 8 1HE PHE 8 -0.293 -3.852 9.856
61 HE2 PHE 8 2HE PHE 8 -1.325 -6.550 6.720
62 HZ PHE 8 HZ PHE 8 -0.318 -6.137 8.926
63 H CYS 9 H CYS 9 -3.230 -2.070 3.506
64 HA CYS 9 HA CYS 9 -4.068 0.500 2.636
65 HB2 CYS 9 2HB CYS 9 -1.863 0.356 1.554
66 HB3 CYS 9 1HB CYS 9 -2.252 -1.254 0.991
67 H SER 10 H SER 10 -5.557 -0.120 0.550
68 HA SER 10 HA SER 10 -6.486 -2.869 0.706
69 HB2 SER 10 2HB SER 10 -8.324 -0.505 1.164
70 HB3 SER 10 1HB SER 10 -8.795 -2.202 1.106
71 HG SER 10 HG SER 10 -6.831 -1.872 2.883
72 H LEU 11 H LEU 11 -8.054 -3.258 -1.105
73 HA LEU 11 HA LEU 11 -7.193 -1.927 -3.435
74 HB2 LEU 11 2HB LEU 11 -8.860 -3.285 -4.652
75 HB3 LEU 11 1HB LEU 11 -7.880 -4.225 -3.554
76 HG LEU 11 HG LEU 11 -9.917 -4.041 -1.948
77 HD11 LEU 11 1HD1 LEU 11 -12.071 -3.908 -3.059
78 HD12 LEU 11 2HD1 LEU 11 -11.271 -3.538 -4.583
79 HD13 LEU 11 3HD1 LEU 11 -11.174 -2.400 -3.239
80 HD21 LEU 11 1HD2 LEU 11 -10.013 -5.734 -4.430
81 HD22 LEU 11 2HD2 LEU 11 -10.885 -6.046 -2.927
82 HD23 LEU 11 3HD2 LEU 11 -9.123 -6.100 -2.952
83 H PHE 12 H PHE 12 -9.796 -1.390 -1.293
84 HA PHE 12 HA PHE 12 -11.192 0.502 -2.963
85 HB2 PHE 12 2HB PHE 12 -11.390 0.046 0.020
86 HB3 PHE 12 1HB PHE 12 -12.441 1.098 -0.903
87 HD1 PHE 12 1HD PHE 12 -13.882 0.031 -2.718
88 HD2 PHE 12 2HD PHE 12 -11.880 -2.198 0.303
89 HE1 PHE 12 1HE PHE 12 -15.417 -1.846 -3.079
90 HE2 PHE 12 2HE PHE 12 -13.409 -4.078 -0.071
91 HZ PHE 12 HZ PHE 12 -15.174 -3.907 -1.758
92 H ARG 13 H ARG 13 -8.625 0.604 -0.631
93 HA ARG 13 HA ARG 13 -8.516 3.529 -0.868
94 HB2 ARG 13 2HB ARG 13 -7.855 1.988 1.654
95 HB3 ARG 13 1HB ARG 13 -7.883 3.729 1.462
96 HG2 ARG 13 2HG ARG 13 -10.253 1.869 1.452
97 HG3 ARG 13 1HG ARG 13 -9.807 3.010 2.716
98 HD2 ARG 13 2HD ARG 13 -10.242 4.876 1.218
99 HD3 ARG 13 1HD ARG 13 -10.574 3.756 -0.107
100 HE ARG 13 HE ARG 13 -12.177 3.801 2.351
101 HH11 ARG 13 1HH1 ARG 13 -12.038 3.890 -1.212
102 HH12 ARG 13 2HH1 ARG 13 -13.725 3.787 -1.406
103 HH21 ARG 13 1HH2 ARG 13 -14.494 3.670 2.045
104 HH22 ARG 13 2HH2 ARG 13 -15.141 3.664 0.478
105 H ILE 14 H ILE 14 -7.010 3.340 -2.439
106 HA ILE 14 HA ILE 14 -4.517 1.930 -1.794
107 HB ILE 14 HB ILE 14 -3.920 2.351 -4.197
108 HG12 ILE 14 2HG1 ILE 14 -6.795 3.293 -4.377
109 HG13 ILE 14 1HG1 ILE 14 -5.370 4.309 -4.563
110 HG21 ILE 14 1HG2 ILE 14 -4.820 0.210 -3.508
111 HG22 ILE 14 2HG2 ILE 14 -5.431 0.638 -5.107
112 HG23 ILE 14 3HG2 ILE 14 -6.466 0.818 -3.692
113 HD11 ILE 14 1HD1 ILE 14 -4.760 3.053 -6.564
114 HD12 ILE 14 2HD1 ILE 14 -6.372 3.768 -6.696
115 HD13 ILE 14 3HD1 ILE 14 -6.195 2.041 -6.353
116 H GLY 15 H GLY 15 -5.789 4.835 -1.393
117 HA2 GLY 15 2HA GLY 15 -3.669 6.564 -2.250
118 HA3 GLY 15 1HA GLY 15 -5.039 7.002 -1.244
119 H LEU 16 H LEU 16 -3.962 4.495 0.384
120 HA LEU 16 HA LEU 16 -2.619 6.007 2.353
121 HB2 LEU 16 2HB LEU 16 -2.833 3.016 1.946
122 HB3 LEU 16 1HB LEU 16 -1.906 3.692 3.263
123 HG LEU 16 HG LEU 16 -4.015 2.971 4.098
124 HD11 LEU 16 1HD1 LEU 16 -3.981 5.971 3.942
125 HD12 LEU 16 2HD1 LEU 16 -3.120 4.965 5.103
126 HD13 LEU 16 3HD1 LEU 16 -4.881 5.002 5.104
127 HD21 LEU 16 1HD2 LEU 16 -5.309 4.769 2.050
128 HD22 LEU 16 2HD2 LEU 16 -6.155 3.899 3.330
129 HD23 LEU 16 3HD2 LEU 16 -5.332 3.005 2.051
130 H CYS 17 H CYS 17 -1.409 3.680 -0.000
131 HA CYS 17 HA CYS 17 1.324 4.058 0.592
132 HB2 CYS 17 2HB CYS 17 0.022 3.152 -1.986
133 HB3 CYS 17 1HB CYS 17 1.723 2.993 -1.587
134 H GLY 18 H GLY 18 2.604 5.729 0.124
135 HA2 GLY 18 2HA GLY 18 1.622 8.002 -1.266
136 HA3 GLY 18 1HA GLY 18 3.238 7.799 -0.621
137 H ASP 19 H ASP 19 1.628 5.826 -3.071
138 HA ASP 19 HA ASP 19 1.825 5.446 -5.251
139 HB2 ASP 19 2HB ASP 19 1.502 7.719 -5.553
140 HB3 ASP 19 1HB ASP 19 3.173 8.120 -5.191
141 H LYS 20 H LYS 20 4.565 6.012 -3.519
142 HA LYS 20 HA LYS 20 6.449 4.913 -5.484
143 HB2 LYS 20 2HB LYS 20 6.957 5.764 -2.638
144 HB3 LYS 20 1HB LYS 20 8.182 5.460 -3.871
145 HG2 LYS 20 2HG LYS 20 7.405 7.303 -5.188
146 HG3 LYS 20 1HG LYS 20 6.046 7.554 -4.098
147 HD2 LYS 20 2HD LYS 20 7.732 7.937 -2.294
148 HD3 LYS 20 1HD LYS 20 8.956 7.977 -3.567
149 HE2 LYS 20 2HE LYS 20 8.196 10.254 -3.010
150 HE3 LYS 20 1HE LYS 20 7.806 9.821 -4.671
151 HZ1 LYS 20 1HZ LYS 20 5.884 9.691 -2.398
152 HZ2 LYS 20 2HZ LYS 20 5.524 9.416 -4.027
153 HZ3 LYS 20 3HZ LYS 20 5.983 10.949 -3.515
154 H CYS 21 H CYS 21 4.296 3.648 -3.528
155 HA CYS 21 HA CYS 21 5.605 1.093 -3.374
156 HB2 CYS 21 2HB CYS 21 4.089 2.278 -1.028
157 HB3 CYS 21 1HB CYS 21 4.866 0.721 -1.120
158 H THR 22 H THR 22 3.922 -0.531 -3.222
159 HA THR 22 HA THR 22 1.305 0.487 -4.018
160 HB THR 22 HB THR 22 2.721 -1.882 -5.272
161 HG1 THR 22 1HG THR 22 3.792 0.011 -5.889
162 HG21 THR 22 1HG2 THR 22 0.249 -0.340 -6.072
163 HG22 THR 22 2HG2 THR 22 0.286 -1.941 -5.332
164 HG23 THR 22 3HG2 THR 22 0.950 -1.703 -6.953
165 H CYS 23 H CYS 23 -0.407 -0.914 -3.292
166 HA CYS 23 HA CYS 23 0.549 -2.800 -1.322
167 HB2 CYS 23 2HB CYS 23 -1.682 -2.629 -0.332
168 HB3 CYS 23 1HB CYS 23 -0.788 -1.108 -0.353
169 H VAL 24 H VAL 24 -0.188 -4.816 -1.174
170 HA VAL 24 HA VAL 24 -1.487 -5.875 -3.580
171 HB VAL 24 HB VAL 24 0.038 -7.383 -1.426
172 HG11 VAL 24 1HG1 VAL 24 -0.880 -8.255 -4.162
173 HG12 VAL 24 2HG1 VAL 24 -1.563 -8.764 -2.617
174 HG13 VAL 24 3HG1 VAL 24 0.086 -9.224 -3.046
175 HG21 VAL 24 1HG2 VAL 24 1.572 -5.883 -2.583
176 HG22 VAL 24 2HG2 VAL 24 1.021 -6.497 -4.141
177 HG23 VAL 24 3HG2 VAL 24 1.895 -7.558 -3.037
178 HA PRO 25 HA PRO 25 -4.747 -6.135 -0.415
179 HB2 PRO 25 2HB PRO 25 -6.660 -6.267 -2.567
180 HB3 PRO 25 1HB PRO 25 -6.379 -4.955 -1.418
181 HG2 PRO 25 2HG PRO 25 -5.812 -4.781 -4.108
182 HG3 PRO 25 1HG PRO 25 -5.018 -3.813 -2.858
183 HD2 PRO 25 2HD PRO 25 -4.049 -6.278 -4.251
184 HD3 PRO 25 1HD PRO 25 -3.161 -4.814 -3.763
185 H LEU 26 H LEU 26 -5.051 -7.995 0.501
186 HA LEU 26 HA LEU 26 -5.967 -10.132 -1.117
187 HB2 LEU 26 2HB LEU 26 -4.260 -11.691 0.127
188 HB3 LEU 26 1HB LEU 26 -3.841 -10.792 -1.312
189 HG LEU 26 HG LEU 26 -2.720 -9.083 0.147
190 HD11 LEU 26 1HD1 LEU 26 -2.052 -9.679 2.396
191 HD12 LEU 26 2HD1 LEU 26 -3.057 -11.126 2.322
192 HD13 LEU 26 3HD1 LEU 26 -3.804 -9.528 2.265
193 HD21 LEU 26 1HD2 LEU 26 -0.721 -10.439 0.530
194 HD22 LEU 26 2HD2 LEU 26 -1.447 -10.741 -1.047
195 HD23 LEU 26 3HD2 LEU 26 -1.672 -11.899 0.265
196 HA PRO 27 HA PRO 27 -7.733 -10.539 -1.419
197 HB2 PRO 27 2HB PRO 27 -10.466 -10.483 -0.469
198 HB3 PRO 27 1HB PRO 27 -9.637 -11.775 -1.337
199 HG2 PRO 27 2HG PRO 27 -10.433 -12.038 1.249
200 HG3 PRO 27 1HG PRO 27 -8.989 -12.839 0.605
201 HD2 PRO 27 2HD PRO 27 -9.188 -10.301 2.177
202 HD3 PRO 27 1HD PRO 27 -8.084 -11.676 2.406
203 H ILE 28 H ILE 28 -8.812 -8.575 1.243
204 HA ILE 28 HA ILE 28 -9.685 -6.433 -0.601
205 HB ILE 28 HB ILE 28 -10.464 -6.874 2.298
206 HG12 ILE 28 2HG1 ILE 28 -12.120 -7.129 -0.226
207 HG13 ILE 28 1HG1 ILE 28 -11.511 -8.473 0.728
208 HG21 ILE 28 1HG2 ILE 28 -12.046 -5.013 1.965
209 HG22 ILE 28 2HG2 ILE 28 -11.364 -4.741 0.360
210 HG23 ILE 28 3HG2 ILE 28 -10.365 -4.503 1.792
211 HD11 ILE 28 1HD1 ILE 28 -12.882 -7.736 2.619
212 HD12 ILE 28 2HD1 ILE 28 -13.852 -8.073 1.188
213 HD13 ILE 28 3HD1 ILE 28 -13.500 -6.406 1.640
214 H PHE 29 H PHE 29 -8.214 -6.921 2.592
215 HA PHE 29 HA PHE 29 -6.856 -4.363 2.429
216 HB2 PHE 29 2HB PHE 29 -6.877 -6.428 4.664
217 HB3 PHE 29 1HB PHE 29 -6.254 -4.793 4.757
218 HD1 PHE 29 1HD PHE 29 -7.777 -2.892 4.948
219 HD2 PHE 29 2HD PHE 29 -9.244 -6.886 4.798
220 HE1 PHE 29 1HE PHE 29 -9.956 -2.125 5.774
221 HE2 PHE 29 2HE PHE 29 -11.429 -6.118 5.616
222 HZ PHE 29 HZ PHE 29 -11.786 -3.732 6.105
223 H GLY 30 H GLY 30 -4.567 -4.323 2.568
224 HA2 GLY 30 2HA GLY 30 -3.128 -6.813 2.564
225 HA3 GLY 30 1HA GLY 30 -3.097 -5.936 1.037
226 H LEU 31 H LEU 31 -0.778 -6.250 2.045
227 HA LEU 31 HA LEU 31 -0.203 -3.962 3.716
228 HB2 LEU 31 2HB LEU 31 2.132 -4.884 3.773
229 HB3 LEU 31 1HB LEU 31 0.904 -5.886 4.502
230 HG LEU 31 HG LEU 31 0.934 -7.265 2.361
231 HD11 LEU 31 1HD1 LEU 31 3.489 -5.752 1.864
232 HD12 LEU 31 2HD1 LEU 31 2.028 -5.689 0.875
233 HD13 LEU 31 3HD1 LEU 31 2.948 -7.191 0.998
234 HD21 LEU 31 1HD2 LEU 31 2.895 -8.501 3.039
235 HD22 LEU 31 2HD2 LEU 31 1.935 -7.988 4.428
236 HD23 LEU 31 3HD2 LEU 31 3.429 -7.139 4.025
237 H CYS 32 H CYS 32 1.453 -2.485 3.149
238 HA CYS 32 HA CYS 32 1.421 -1.950 0.277
239 HB2 CYS 32 2HB CYS 32 0.666 -0.178 1.902
240 HB3 CYS 32 1HB CYS 32 2.308 -0.157 2.547
241 H VAL 33 H VAL 33 3.212 -2.451 -0.849
242 HA VAL 33 HA VAL 33 5.612 -2.895 0.735
243 HB VAL 33 HB VAL 33 4.728 -5.024 -0.143
244 HG11 VAL 33 1HG1 VAL 33 4.661 -5.527 -2.523
245 HG12 VAL 33 2HG1 VAL 33 5.099 -3.856 -2.870
246 HG13 VAL 33 3HG1 VAL 33 3.551 -4.214 -2.102
247 HG21 VAL 33 1HG2 VAL 33 6.738 -5.854 -1.312
248 HG22 VAL 33 2HG2 VAL 33 7.133 -4.872 0.097
249 HG23 VAL 33 3HG2 VAL 33 7.279 -4.187 -1.522
250 HA PRO 34 HA PRO 34 7.257 0.469 -1.558
251 HB2 PRO 34 2HB PRO 34 9.921 -0.110 -1.068
252 HB3 PRO 34 1HB PRO 34 8.876 0.851 -0.022
253 HG2 PRO 34 2HG PRO 34 9.703 -1.979 0.195
254 HG3 PRO 34 1HG PRO 34 9.390 -0.808 1.485
255 HD2 PRO 34 2HD PRO 34 7.664 -2.784 0.831
256 HD3 PRO 34 1HD PRO 34 7.121 -1.214 1.458
257 H ASP 35 H ASP 35 7.704 0.716 -3.593
258 HA ASP 35 HA ASP 35 8.617 -1.571 -5.129
259 HB2 ASP 35 2HB ASP 35 7.616 1.149 -5.972
260 HB3 ASP 35 1HB ASP 35 8.233 -0.039 -7.110
261 H VAL 36 H VAL 36 9.783 1.120 -3.606
262 HA VAL 36 HA VAL 36 12.047 1.599 -5.318
263 HB VAL 36 HB VAL 36 11.558 2.582 -2.485
264 HG11 VAL 36 1HG1 VAL 36 13.411 3.614 -4.631
265 HG12 VAL 36 2HG1 VAL 36 13.884 2.749 -3.171
266 HG13 VAL 36 3HG1 VAL 36 13.160 4.353 -3.050
267 HG21 VAL 36 1HG2 VAL 36 9.735 3.312 -3.922
268 HG22 VAL 36 2HG2 VAL 36 10.888 3.921 -5.105
269 HG23 VAL 36 3HG2 VAL 36 10.772 4.684 -3.523
Start of MODEL 17
1 H1 LEU 1 1HT LEU 1 13.963 0.272 6.755
2 H2 LEU 1 2HT LEU 1 13.238 0.443 5.203
3 H3 LEU 1 3HT LEU 1 12.332 -0.053 6.485
4 HA LEU 1 HA LEU 1 12.451 1.969 7.548
5 HB2 LEU 1 2HB LEU 1 13.542 3.933 6.616
6 HB3 LEU 1 1HB LEU 1 14.712 2.678 6.926
7 HG LEU 1 HG LEU 1 13.625 3.243 4.168
8 HD11 LEU 1 1HD1 LEU 1 15.692 4.516 3.821
9 HD12 LEU 1 2HD1 LEU 1 16.088 4.305 5.531
10 HD13 LEU 1 3HD1 LEU 1 14.673 5.243 5.064
11 HD21 LEU 1 1HD2 LEU 1 16.123 1.874 5.144
12 HD22 LEU 1 2HD2 LEU 1 15.629 2.050 3.453
13 HD23 LEU 1 3HD2 LEU 1 14.676 1.063 4.573
14 HA PRO 2 HA PRO 2 8.887 2.547 5.049
15 HB2 PRO 2 2HB PRO 2 7.864 4.751 6.259
16 HB3 PRO 2 1HB PRO 2 7.751 3.127 6.947
17 HG2 PRO 2 2HG PRO 2 9.663 5.326 7.574
18 HG3 PRO 2 1HG PRO 2 8.832 4.225 8.692
19 HD2 PRO 2 2HD PRO 2 11.413 3.892 7.965
20 HD3 PRO 2 1HD PRO 2 10.337 2.518 8.305
21 H ARG 3 H ARG 3 8.893 3.188 3.160
22 HA ARG 3 HA ARG 3 9.738 5.927 2.541
23 HB2 ARG 3 2HB ARG 3 9.880 3.439 0.856
24 HB3 ARG 3 1HB ARG 3 10.050 5.050 0.191
25 HG2 ARG 3 2HG ARG 3 11.841 3.864 2.304
26 HG3 ARG 3 1HG ARG 3 12.211 3.911 0.578
27 HD2 ARG 3 2HD ARG 3 12.048 6.387 0.656
28 HD3 ARG 3 1HD ARG 3 11.796 6.288 2.399
29 HE ARG 3 HE ARG 3 14.108 4.897 1.839
30 HH11 ARG 3 1HH1 ARG 3 13.012 8.245 1.554
31 HH12 ARG 3 2HH1 ARG 3 14.558 8.920 1.746
32 HH21 ARG 3 1HH2 ARG 3 16.237 5.831 2.120
33 HH22 ARG 3 2HH2 ARG 3 16.436 7.519 2.072
34 H CYS 4 H CYS 4 7.298 3.981 2.815
35 HA CYS 4 HA CYS 4 5.613 5.188 0.721
36 HB2 CYS 4 2HB CYS 4 4.872 2.872 2.507
37 HB3 CYS 4 1HB CYS 4 4.159 3.327 0.975
38 H ASP 5 H ASP 5 5.956 4.690 4.161
39 HA ASP 5 HA ASP 5 5.084 5.578 6.004
40 HB2 ASP 5 2HB ASP 5 4.502 7.860 4.124
41 HB3 ASP 5 1HB ASP 5 4.093 7.945 5.836
42 H SER 6 H SER 6 3.507 3.812 4.486
43 HA SER 6 HA SER 6 0.936 4.492 5.646
44 HB2 SER 6 2HB SER 6 1.381 3.275 2.908
45 HB3 SER 6 1HB SER 6 -0.190 3.450 3.693
46 HG SER 6 HG SER 6 0.795 5.193 2.155
47 HA PRO 7 HA PRO 7 2.045 0.649 7.599
48 HB2 PRO 7 2HB PRO 7 -0.205 0.401 9.127
49 HB3 PRO 7 1HB PRO 7 1.147 1.458 9.539
50 HG2 PRO 7 2HG PRO 7 -1.465 2.137 8.258
51 HG3 PRO 7 1HG PRO 7 -0.557 3.031 9.489
52 HD2 PRO 7 2HD PRO 7 -0.550 3.717 6.867
53 HD3 PRO 7 1HD PRO 7 0.846 3.993 7.933
54 H PHE 8 H PHE 8 -1.112 1.114 6.062
55 HA PHE 8 HA PHE 8 -0.970 -1.434 4.828
56 HB2 PHE 8 2HB PHE 8 -3.002 -2.412 5.778
57 HB3 PHE 8 1HB PHE 8 -1.830 -2.138 7.052
58 HD1 PHE 8 1HD PHE 8 -5.089 -1.223 5.708
59 HD2 PHE 8 2HD PHE 8 -2.238 -0.405 8.753
60 HE1 PHE 8 1HE PHE 8 -6.814 -0.010 6.991
61 HE2 PHE 8 2HE PHE 8 -3.952 0.811 10.031
62 HZ PHE 8 HZ PHE 8 -6.235 1.008 9.154
63 H CYS 9 H CYS 9 -2.702 -1.722 3.382
64 HA CYS 9 HA CYS 9 -4.311 0.676 2.773
65 HB2 CYS 9 2HB CYS 9 -3.025 -1.209 0.801
66 HB3 CYS 9 1HB CYS 9 -3.965 0.220 0.394
67 H SER 10 H SER 10 -6.053 -0.263 0.995
68 HA SER 10 HA SER 10 -6.744 -3.007 1.581
69 HB2 SER 10 2HB SER 10 -9.155 -2.274 1.895
70 HB3 SER 10 1HB SER 10 -8.082 -1.833 3.221
71 HG SER 10 HG SER 10 -8.512 0.136 2.862
72 H LEU 11 H LEU 11 -8.552 -3.653 0.021
73 HA LEU 11 HA LEU 11 -7.890 -3.318 -2.637
74 HB2 LEU 11 2HB LEU 11 -10.622 -3.826 -1.460
75 HB3 LEU 11 1HB LEU 11 -10.211 -4.055 -3.143
76 HG LEU 11 HG LEU 11 -8.888 -5.585 -0.908
77 HD11 LEU 11 1HD1 LEU 11 -11.243 -6.358 -2.644
78 HD12 LEU 11 2HD1 LEU 11 -11.296 -6.044 -0.909
79 HD13 LEU 11 3HD1 LEU 11 -10.396 -7.427 -1.527
80 HD21 LEU 11 1HD2 LEU 11 -7.658 -5.481 -3.027
81 HD22 LEU 11 2HD2 LEU 11 -9.084 -6.066 -3.880
82 HD23 LEU 11 3HD2 LEU 11 -8.266 -7.106 -2.715
83 H PHE 12 H PHE 12 -10.185 -1.515 -0.748
84 HA PHE 12 HA PHE 12 -11.063 0.087 -2.974
85 HB2 PHE 12 2HB PHE 12 -11.773 0.308 -0.047
86 HB3 PHE 12 1HB PHE 12 -12.615 1.069 -1.390
87 HD1 PHE 12 1HD PHE 12 -12.302 -1.900 0.633
88 HD2 PHE 12 2HD PHE 12 -13.768 -0.400 -3.079
89 HE1 PHE 12 1HE PHE 12 -13.725 -3.877 0.398
90 HE2 PHE 12 2HE PHE 12 -15.202 -2.382 -3.308
91 HZ PHE 12 HZ PHE 12 -15.183 -4.119 -1.578
92 H ARG 13 H ARG 13 -9.074 0.486 -0.080
93 HA ARG 13 HA ARG 13 -8.430 3.179 -1.010
94 HB2 ARG 13 2HB ARG 13 -8.384 2.016 1.775
95 HB3 ARG 13 1HB ARG 13 -7.437 3.432 1.368
96 HG2 ARG 13 2HG ARG 13 -9.474 4.123 2.432
97 HG3 ARG 13 1HG ARG 13 -9.534 4.604 0.742
98 HD2 ARG 13 2HD ARG 13 -11.683 3.744 1.431
99 HD3 ARG 13 1HD ARG 13 -10.946 2.641 0.276
100 HE ARG 13 HE ARG 13 -10.205 1.687 2.725
101 HH11 ARG 13 1HH1 ARG 13 -13.326 2.376 1.203
102 HH12 ARG 13 2HH1 ARG 13 -14.131 1.099 1.987
103 HH21 ARG 13 1HH2 ARG 13 -11.359 -0.065 3.798
104 HH22 ARG 13 2HH2 ARG 13 -13.012 -0.289 3.448
105 H ILE 14 H ILE 14 -7.000 2.577 -2.504
106 HA ILE 14 HA ILE 14 -4.492 1.392 -1.509
107 HB ILE 14 HB ILE 14 -3.917 1.122 -3.955
108 HG12 ILE 14 2HG1 ILE 14 -6.863 1.635 -4.343
109 HG13 ILE 14 1HG1 ILE 14 -5.578 2.749 -4.815
110 HG21 ILE 14 1HG2 ILE 14 -6.288 -0.421 -2.938
111 HG22 ILE 14 2HG2 ILE 14 -4.590 -0.783 -2.634
112 HG23 ILE 14 3HG2 ILE 14 -5.240 -0.914 -4.267
113 HD11 ILE 14 1HD1 ILE 14 -6.435 1.497 -6.702
114 HD12 ILE 14 2HD1 ILE 14 -6.028 -0.021 -5.888
115 HD13 ILE 14 3HD1 ILE 14 -4.746 1.093 -6.385
116 H GLY 15 H GLY 15 -5.897 4.228 -2.005
117 HA2 GLY 15 2HA GLY 15 -3.856 5.652 -3.423
118 HA3 GLY 15 1HA GLY 15 -5.252 6.344 -2.616
119 H LEU 16 H LEU 16 -3.824 4.399 -0.418
120 HA LEU 16 HA LEU 16 -2.702 6.453 1.157
121 HB2 LEU 16 2HB LEU 16 -2.374 3.451 1.282
122 HB3 LEU 16 1HB LEU 16 -1.577 4.519 2.408
123 HG LEU 16 HG LEU 16 -3.476 3.544 3.447
124 HD11 LEU 16 1HD1 LEU 16 -2.996 5.811 4.089
125 HD12 LEU 16 2HD1 LEU 16 -4.729 5.508 4.155
126 HD13 LEU 16 3HD1 LEU 16 -4.048 6.427 2.816
127 HD21 LEU 16 1HD2 LEU 16 -5.771 3.905 2.673
128 HD22 LEU 16 2HD2 LEU 16 -4.818 2.976 1.515
129 HD23 LEU 16 3HD2 LEU 16 -5.150 4.683 1.217
130 H CYS 17 H CYS 17 -1.431 4.456 -1.331
131 HA CYS 17 HA CYS 17 1.164 5.726 -0.939
132 HB2 CYS 17 2HB CYS 17 0.605 2.976 -2.044
133 HB3 CYS 17 1HB CYS 17 2.193 3.730 -1.921
134 H GLY 18 H GLY 18 0.724 7.413 -2.269
135 HA2 GLY 18 2HA GLY 18 -0.333 6.950 -4.919
136 HA3 GLY 18 1HA GLY 18 0.058 8.505 -4.206
137 H ASP 19 H ASP 19 1.296 5.713 -5.793
138 HA ASP 19 HA ASP 19 2.849 5.334 -7.312
139 HB2 ASP 19 2HB ASP 19 2.193 7.428 -8.253
140 HB3 ASP 19 1HB ASP 19 3.384 8.297 -7.289
141 H LYS 20 H LYS 20 3.644 6.872 -4.494
142 HA LYS 20 HA LYS 20 6.466 6.728 -4.436
143 HB2 LYS 20 2HB LYS 20 4.571 6.230 -2.152
144 HB3 LYS 20 1HB LYS 20 6.280 6.585 -2.003
145 HG2 LYS 20 2HG LYS 20 5.893 8.793 -2.967
146 HG3 LYS 20 1HG LYS 20 4.165 8.431 -3.083
147 HD2 LYS 20 2HD LYS 20 4.164 7.996 -0.670
148 HD3 LYS 20 1HD LYS 20 5.842 8.513 -0.603
149 HE2 LYS 20 2HE LYS 20 5.225 10.726 -1.414
150 HE3 LYS 20 1HE LYS 20 3.539 10.229 -1.521
151 HZ1 LYS 20 1HZ LYS 20 5.116 10.262 0.988
152 HZ2 LYS 20 2HZ LYS 20 3.463 9.951 0.847
153 HZ3 LYS 20 3HZ LYS 20 4.060 11.480 0.527
154 H CYS 21 H CYS 21 3.958 4.423 -3.759
155 HA CYS 21 HA CYS 21 5.693 2.179 -4.132
156 HB2 CYS 21 2HB CYS 21 4.113 2.533 -1.572
157 HB3 CYS 21 1HB CYS 21 5.071 1.136 -2.017
158 H THR 22 H THR 22 4.077 0.150 -3.753
159 HA THR 22 HA THR 22 1.444 0.939 -4.730
160 HB THR 22 HB THR 22 3.068 -1.510 -5.471
161 HG1 THR 22 1HG THR 22 3.882 -0.038 -6.782
162 HG21 THR 22 1HG2 THR 22 1.257 -1.968 -7.072
163 HG22 THR 22 2HG2 THR 22 0.374 -0.563 -6.476
164 HG23 THR 22 3HG2 THR 22 0.637 -1.950 -5.419
165 H CYS 23 H CYS 23 -0.220 0.162 -3.608
166 HA CYS 23 HA CYS 23 0.239 -1.480 -1.297
167 HB2 CYS 23 2HB CYS 23 -2.343 -0.483 -2.508
168 HB3 CYS 23 1HB CYS 23 -2.151 -1.224 -0.927
169 H VAL 24 H VAL 24 0.026 -3.600 -1.245
170 HA VAL 24 HA VAL 24 -1.269 -4.984 -3.498
171 HB VAL 24 HB VAL 24 0.899 -6.008 -1.625
172 HG11 VAL 24 1HG1 VAL 24 -0.584 -7.795 -2.359
173 HG12 VAL 24 2HG1 VAL 24 1.004 -7.959 -3.108
174 HG13 VAL 24 3HG1 VAL 24 -0.350 -7.313 -4.037
175 HG21 VAL 24 1HG2 VAL 24 1.076 -5.229 -4.537
176 HG22 VAL 24 2HG2 VAL 24 2.369 -5.974 -3.599
177 HG23 VAL 24 3HG2 VAL 24 1.791 -4.361 -3.180
178 HA PRO 25 HA PRO 25 -3.988 -5.783 0.143
179 HB2 PRO 25 2HB PRO 25 -6.026 -6.236 -1.880
180 HB3 PRO 25 1HB PRO 25 -5.981 -5.009 -0.613
181 HG2 PRO 25 2HG PRO 25 -5.723 -4.345 -3.205
182 HG3 PRO 25 1HG PRO 25 -4.836 -3.491 -1.933
183 HD2 PRO 25 2HD PRO 25 -3.870 -5.682 -3.750
184 HD3 PRO 25 1HD PRO 25 -3.096 -4.130 -3.333
185 H LEU 26 H LEU 26 -4.140 -7.696 1.100
186 HA LEU 26 HA LEU 26 -4.953 -9.963 -0.406
187 HB2 LEU 26 2HB LEU 26 -3.075 -11.409 0.106
188 HB3 LEU 26 1HB LEU 26 -2.537 -10.034 -0.818
189 HG LEU 26 HG LEU 26 -2.140 -10.349 2.166
190 HD11 LEU 26 1HD1 LEU 26 -0.218 -10.866 -0.104
191 HD12 LEU 26 2HD1 LEU 26 -0.926 -12.081 0.962
192 HD13 LEU 26 3HD1 LEU 26 0.197 -10.886 1.609
193 HD21 LEU 26 1HD2 LEU 26 -0.462 -8.588 1.917
194 HD22 LEU 26 2HD2 LEU 26 -2.060 -8.030 1.421
195 HD23 LEU 26 3HD2 LEU 26 -0.858 -8.448 0.203
196 HA PRO 27 HA PRO 27 -6.612 -10.798 -0.273
197 HB2 PRO 27 2HB PRO 27 -9.068 -11.140 1.253
198 HB3 PRO 27 1HB PRO 27 -8.231 -12.320 0.240
199 HG2 PRO 27 2HG PRO 27 -8.370 -12.587 2.920
200 HG3 PRO 27 1HG PRO 27 -6.947 -13.105 1.999
201 HD2 PRO 27 2HD PRO 27 -7.390 -10.560 3.506
202 HD3 PRO 27 1HD PRO 27 -5.986 -11.653 3.573
203 H ILE 28 H ILE 28 -7.637 -8.819 2.466
204 HA ILE 28 HA ILE 28 -8.982 -6.995 0.584
205 HB ILE 28 HB ILE 28 -9.404 -7.195 3.586
206 HG12 ILE 28 2HG1 ILE 28 -11.232 -7.932 1.286
207 HG13 ILE 28 1HG1 ILE 28 -10.432 -9.059 2.378
208 HG21 ILE 28 1HG2 ILE 28 -10.760 -5.409 1.559
209 HG22 ILE 28 2HG2 ILE 28 -9.637 -4.894 2.817
210 HG23 ILE 28 3HG2 ILE 28 -11.212 -5.556 3.257
211 HD11 ILE 28 1HD1 ILE 28 -11.732 -8.149 4.243
212 HD12 ILE 28 2HD1 ILE 28 -12.770 -8.785 2.967
213 HD13 ILE 28 3HD1 ILE 28 -12.538 -7.043 3.129
214 H PHE 29 H PHE 29 -7.104 -7.004 3.580
215 HA PHE 29 HA PHE 29 -6.214 -4.321 3.038
216 HB2 PHE 29 2HB PHE 29 -5.756 -6.153 5.394
217 HB3 PHE 29 1HB PHE 29 -5.061 -4.540 5.254
218 HD1 PHE 29 1HD PHE 29 -6.518 -2.578 5.204
219 HD2 PHE 29 2HD PHE 29 -8.041 -6.459 5.990
220 HE1 PHE 29 1HE PHE 29 -8.576 -1.581 6.116
221 HE2 PHE 29 2HE PHE 29 -10.096 -5.477 6.892
222 HZ PHE 29 HZ PHE 29 -10.368 -3.042 6.957
223 H GLY 30 H GLY 30 -4.114 -3.757 2.777
224 HA2 GLY 30 2HA GLY 30 -2.423 -5.998 1.915
225 HA3 GLY 30 1HA GLY 30 -2.720 -4.620 0.876
226 H LEU 31 H LEU 31 -0.336 -5.408 1.386
227 HA LEU 31 HA LEU 31 0.872 -3.681 3.401
228 HB2 LEU 31 2HB LEU 31 2.169 -5.470 1.341
229 HB3 LEU 31 1HB LEU 31 2.932 -4.760 2.745
230 HG LEU 31 HG LEU 31 0.848 -6.940 2.768
231 HD11 LEU 31 1HD1 LEU 31 2.669 -8.348 3.579
232 HD12 LEU 31 2HD1 LEU 31 3.793 -7.003 3.393
233 HD13 LEU 31 3HD1 LEU 31 3.014 -7.703 1.974
234 HD21 LEU 31 1HD2 LEU 31 1.323 -7.077 5.159
235 HD22 LEU 31 2HD2 LEU 31 0.641 -5.508 4.719
236 HD23 LEU 31 3HD2 LEU 31 2.372 -5.666 5.026
237 H CYS 32 H CYS 32 2.540 -2.165 2.596
238 HA CYS 32 HA CYS 32 2.038 -1.424 -0.173
239 HB2 CYS 32 2HB CYS 32 1.175 0.300 1.395
240 HB3 CYS 32 1HB CYS 32 2.793 0.453 2.085
241 H VAL 33 H VAL 33 3.690 -1.726 -1.429
242 HA VAL 33 HA VAL 33 6.360 -1.710 -0.246
243 HB VAL 33 HB VAL 33 5.570 -4.038 -0.482
244 HG11 VAL 33 1HG1 VAL 33 5.305 -3.431 -3.407
245 HG12 VAL 33 2HG1 VAL 33 4.011 -3.844 -2.279
246 HG13 VAL 33 3HG1 VAL 33 5.243 -5.040 -2.694
247 HG21 VAL 33 1HG2 VAL 33 7.766 -3.330 -2.424
248 HG22 VAL 33 2HG2 VAL 33 7.452 -4.949 -1.799
249 HG23 VAL 33 3HG2 VAL 33 7.953 -3.662 -0.702
250 HA PRO 34 HA PRO 34 7.073 0.911 -3.777
251 HB2 PRO 34 2HB PRO 34 9.768 1.129 -3.547
252 HB3 PRO 34 1HB PRO 34 8.637 2.032 -2.537
253 HG2 PRO 34 2HG PRO 34 10.216 -0.410 -1.900
254 HG3 PRO 34 1HG PRO 34 9.798 0.957 -0.859
255 HD2 PRO 34 2HD PRO 34 8.529 -1.476 -0.805
256 HD3 PRO 34 1HD PRO 34 7.785 0.049 -0.285
257 H ASP 35 H ASP 35 7.365 0.510 -5.861
258 HA ASP 35 HA ASP 35 8.318 -2.039 -6.795
259 HB2 ASP 35 2HB ASP 35 7.671 0.501 -8.328
260 HB3 ASP 35 1HB ASP 35 7.994 -1.062 -9.056
261 H VAL 36 H VAL 36 9.333 1.281 -6.830
262 HA VAL 36 HA VAL 36 12.072 0.457 -7.260
263 HB VAL 36 HB VAL 36 12.439 2.593 -8.596
264 HG11 VAL 36 1HG1 VAL 36 11.550 1.694 -10.700
265 HG12 VAL 36 2HG1 VAL 36 10.534 0.580 -9.785
266 HG13 VAL 36 3HG1 VAL 36 12.289 0.434 -9.712
267 HG21 VAL 36 1HG2 VAL 36 10.485 3.621 -9.695
268 HG22 VAL 36 2HG2 VAL 36 10.427 3.817 -7.942
269 HG23 VAL 36 3HG2 VAL 36 9.416 2.602 -8.724
Start of MODEL 18
1 H1 LEU 1 1HT LEU 1 15.319 1.719 -0.876
2 H2 LEU 1 2HT LEU 1 15.436 2.393 0.672
3 H3 LEU 1 3HT LEU 1 15.115 3.384 -0.639
4 HA LEU 1 HA LEU 1 12.999 2.324 -0.940
5 HB2 LEU 1 2HB LEU 1 13.866 0.835 1.540
6 HB3 LEU 1 1HB LEU 1 12.184 1.035 1.136
7 HG LEU 1 HG LEU 1 12.571 -0.271 -0.962
8 HD11 LEU 1 1HD1 LEU 1 14.608 -1.626 -1.144
9 HD12 LEU 1 2HD1 LEU 1 15.323 -0.699 0.177
10 HD13 LEU 1 3HD1 LEU 1 14.905 0.095 -1.343
11 HD21 LEU 1 1HD2 LEU 1 11.723 -1.350 1.055
12 HD22 LEU 1 2HD2 LEU 1 13.374 -1.658 1.581
13 HD23 LEU 1 3HD2 LEU 1 12.755 -2.434 0.125
14 HA PRO 2 HA PRO 2 12.119 5.938 1.688
15 HB2 PRO 2 2HB PRO 2 9.549 5.991 0.349
16 HB3 PRO 2 1HB PRO 2 10.866 7.155 0.223
17 HG2 PRO 2 2HG PRO 2 10.105 5.551 -1.831
18 HG3 PRO 2 1HG PRO 2 11.761 6.141 -1.617
19 HD2 PRO 2 2HD PRO 2 10.611 3.458 -0.983
20 HD3 PRO 2 1HD PRO 2 12.187 3.913 -1.679
21 H ARG 3 H ARG 3 10.276 6.587 2.950
22 HA ARG 3 HA ARG 3 9.252 4.312 4.454
23 HB2 ARG 3 2HB ARG 3 9.121 7.274 4.976
24 HB3 ARG 3 1HB ARG 3 8.685 5.990 6.089
25 HG2 ARG 3 2HG ARG 3 10.942 5.296 6.313
26 HG3 ARG 3 1HG ARG 3 11.453 6.357 4.997
27 HD2 ARG 3 2HD ARG 3 10.323 7.224 7.652
28 HD3 ARG 3 1HD ARG 3 12.010 7.337 7.152
29 HE ARG 3 HE ARG 3 9.869 8.743 5.704
30 HH11 ARG 3 1HH1 ARG 3 12.966 8.856 7.411
31 HH12 ARG 3 2HH1 ARG 3 13.287 10.472 7.002
32 HH21 ARG 3 1HH2 ARG 3 10.274 10.920 5.161
33 HH22 ARG 3 2HH2 ARG 3 11.691 11.707 5.673
34 H CYS 4 H CYS 4 7.320 3.594 3.700
35 HA CYS 4 HA CYS 4 5.676 5.135 2.011
36 HB2 CYS 4 2HB CYS 4 4.940 2.636 3.535
37 HB3 CYS 4 1HB CYS 4 4.093 3.300 2.144
38 H ASP 5 H ASP 5 5.655 4.559 5.477
39 HA ASP 5 HA ASP 5 4.463 5.391 7.212
40 HB2 ASP 5 2HB ASP 5 5.134 7.605 6.242
41 HB3 ASP 5 1HB ASP 5 3.693 7.593 5.241
42 H SER 6 H SER 6 3.327 3.613 5.187
43 HA SER 6 HA SER 6 0.460 4.104 5.451
44 HB2 SER 6 2HB SER 6 1.885 2.065 3.757
45 HB3 SER 6 1HB SER 6 0.215 2.614 3.598
46 HG SER 6 HG SER 6 0.877 4.349 2.571
47 HA PRO 7 HA PRO 7 0.949 0.845 8.574
48 HB2 PRO 7 2HB PRO 7 -1.637 0.955 9.489
49 HB3 PRO 7 1HB PRO 7 -0.355 2.027 10.049
50 HG2 PRO 7 2HG PRO 7 -2.541 2.556 8.093
51 HG3 PRO 7 1HG PRO 7 -1.805 3.646 9.275
52 HD2 PRO 7 2HD PRO 7 -1.245 3.669 6.600
53 HD3 PRO 7 1HD PRO 7 -0.120 4.239 7.846
54 H PHE 8 H PHE 8 -1.702 1.115 6.257
55 HA PHE 8 HA PHE 8 -1.600 -1.717 5.706
56 HB2 PHE 8 2HB PHE 8 -4.017 -2.035 6.030
57 HB3 PHE 8 1HB PHE 8 -3.278 -1.548 7.548
58 HD1 PHE 8 1HD PHE 8 -3.661 0.766 8.408
59 HD2 PHE 8 2HD PHE 8 -5.693 -0.699 4.959
60 HE1 PHE 8 1HE PHE 8 -5.300 2.591 8.593
61 HE2 PHE 8 2HE PHE 8 -7.323 1.124 5.145
62 HZ PHE 8 HZ PHE 8 -7.126 2.771 6.959
63 H CYS 9 H CYS 9 -3.403 -2.047 3.886
64 HA CYS 9 HA CYS 9 -4.192 0.278 2.462
65 HB2 CYS 9 2HB CYS 9 -1.784 -0.144 1.738
66 HB3 CYS 9 1HB CYS 9 -2.339 -1.682 1.077
67 H SER 10 H SER 10 -5.564 -0.502 0.600
68 HA SER 10 HA SER 10 -6.420 -3.274 0.686
69 HB2 SER 10 2HB SER 10 -8.339 -1.042 1.437
70 HB3 SER 10 1HB SER 10 -8.739 -2.750 1.268
71 HG SER 10 HG SER 10 -6.717 -2.576 2.914
72 H LEU 11 H LEU 11 -8.271 -3.516 -1.050
73 HA LEU 11 HA LEU 11 -7.442 -1.992 -3.286
74 HB2 LEU 11 2HB LEU 11 -9.060 -3.192 -4.637
75 HB3 LEU 11 1HB LEU 11 -8.193 -4.295 -3.595
76 HG LEU 11 HG LEU 11 -10.931 -3.317 -2.869
77 HD11 LEU 11 1HD1 LEU 11 -11.823 -5.356 -3.944
78 HD12 LEU 11 2HD1 LEU 11 -10.211 -5.730 -4.555
79 HD13 LEU 11 3HD1 LEU 11 -11.061 -4.295 -5.129
80 HD21 LEU 11 1HD2 LEU 11 -9.808 -4.461 -1.087
81 HD22 LEU 11 2HD2 LEU 11 -9.309 -5.746 -2.185
82 HD23 LEU 11 3HD2 LEU 11 -11.010 -5.556 -1.769
83 H PHE 12 H PHE 12 -9.849 -1.631 -0.957
84 HA PHE 12 HA PHE 12 -11.351 0.369 -2.437
85 HB2 PHE 12 2HB PHE 12 -11.579 -0.453 0.468
86 HB3 PHE 12 1HB PHE 12 -12.721 0.551 -0.414
87 HD1 PHE 12 1HD PHE 12 -11.814 -2.769 0.521
88 HD2 PHE 12 2HD PHE 12 -13.939 -0.512 -2.396
89 HE1 PHE 12 1HE PHE 12 -13.056 -4.784 -0.135
90 HE2 PHE 12 2HE PHE 12 -15.183 -2.527 -3.046
91 HZ PHE 12 HZ PHE 12 -14.738 -4.666 -1.915
92 H ARG 13 H ARG 13 -8.562 0.224 -0.585
93 HA ARG 13 HA ARG 13 -8.523 3.116 -0.231
94 HB2 ARG 13 2HB ARG 13 -7.700 1.126 1.913
95 HB3 ARG 13 1HB ARG 13 -7.382 2.846 1.969
96 HG2 ARG 13 2HG ARG 13 -10.106 1.562 2.003
97 HG3 ARG 13 1HG ARG 13 -9.245 2.200 3.406
98 HD2 ARG 13 2HD ARG 13 -10.221 3.766 1.013
99 HD3 ARG 13 1HD ARG 13 -10.893 3.794 2.642
100 HE ARG 13 HE ARG 13 -8.336 4.533 3.053
101 HH11 ARG 13 1HH1 ARG 13 -10.899 5.769 0.951
102 HH12 ARG 13 2HH1 ARG 13 -10.256 7.327 0.827
103 HH21 ARG 13 1HH2 ARG 13 -7.437 6.663 2.910
104 HH22 ARG 13 2HH2 ARG 13 -8.242 7.874 2.012
105 H ILE 14 H ILE 14 -7.250 2.944 -2.135
106 HA ILE 14 HA ILE 14 -4.650 1.605 -1.814
107 HB ILE 14 HB ILE 14 -4.397 1.990 -4.298
108 HG12 ILE 14 2HG1 ILE 14 -7.337 2.680 -4.097
109 HG13 ILE 14 1HG1 ILE 14 -6.041 3.774 -4.559
110 HG21 ILE 14 1HG2 ILE 14 -5.826 0.106 -4.945
111 HG22 ILE 14 2HG2 ILE 14 -6.661 0.230 -3.397
112 HG23 ILE 14 3HG2 ILE 14 -4.949 -0.191 -3.443
113 HD11 ILE 14 1HD1 ILE 14 -7.286 3.031 -6.486
114 HD12 ILE 14 2HD1 ILE 14 -6.949 1.346 -6.083
115 HD13 ILE 14 3HD1 ILE 14 -5.632 2.421 -6.556
116 H GLY 15 H GLY 15 -6.018 4.535 -1.473
117 HA2 GLY 15 2HA GLY 15 -4.021 6.223 -2.622
118 HA3 GLY 15 1HA GLY 15 -5.277 6.710 -1.491
119 H LEU 16 H LEU 16 -3.866 4.186 -0.086
120 HA LEU 16 HA LEU 16 -2.428 5.675 1.851
121 HB2 LEU 16 2HB LEU 16 -2.640 2.731 1.279
122 HB3 LEU 16 1HB LEU 16 -1.516 3.327 2.471
123 HG LEU 16 HG LEU 16 -3.521 2.479 3.520
124 HD11 LEU 16 1HD1 LEU 16 -3.329 5.464 3.749
125 HD12 LEU 16 2HD1 LEU 16 -2.381 4.268 4.630
126 HD13 LEU 16 3HD1 LEU 16 -4.119 4.385 4.899
127 HD21 LEU 16 1HD2 LEU 16 -5.690 3.563 3.247
128 HD22 LEU 16 2HD2 LEU 16 -5.128 2.855 1.731
129 HD23 LEU 16 3HD2 LEU 16 -5.021 4.596 1.984
130 H CYS 17 H CYS 17 -1.570 4.198 -1.143
131 HA CYS 17 HA CYS 17 1.266 4.773 -0.632
132 HB2 CYS 17 2HB CYS 17 0.287 2.866 -2.746
133 HB3 CYS 17 1HB CYS 17 1.851 2.985 -2.001
134 H GLY 18 H GLY 18 2.136 6.322 -1.968
135 HA2 GLY 18 2HA GLY 18 0.673 6.944 -4.417
136 HA3 GLY 18 1HA GLY 18 0.990 8.217 -3.250
137 H ASP 19 H ASP 19 2.215 6.327 -5.777
138 HA ASP 19 HA ASP 19 3.749 6.695 -7.294
139 HB2 ASP 19 2HB ASP 19 3.421 8.964 -7.041
140 HB3 ASP 19 1HB ASP 19 4.470 9.087 -5.634
141 H LYS 20 H LYS 20 4.690 6.520 -4.109
142 HA LYS 20 HA LYS 20 7.381 5.599 -4.916
143 HB2 LYS 20 2HB LYS 20 6.471 6.245 -2.121
144 HB3 LYS 20 1HB LYS 20 8.108 5.901 -2.647
145 HG2 LYS 20 2HG LYS 20 8.043 7.914 -4.071
146 HG3 LYS 20 1HG LYS 20 6.443 8.273 -3.428
147 HD2 LYS 20 2HD LYS 20 7.365 8.275 -1.187
148 HD3 LYS 20 1HD LYS 20 8.988 8.048 -1.839
149 HE2 LYS 20 2HE LYS 20 7.160 10.414 -2.314
150 HE3 LYS 20 1HE LYS 20 8.624 10.401 -1.342
151 HZ1 LYS 20 1HZ LYS 20 9.888 9.901 -3.384
152 HZ2 LYS 20 2HZ LYS 20 9.078 11.356 -3.490
153 HZ3 LYS 20 3HZ LYS 20 8.471 10.019 -4.286
154 H CYS 21 H CYS 21 4.581 4.593 -2.991
155 HA CYS 21 HA CYS 21 5.798 1.956 -2.885
156 HB2 CYS 21 2HB CYS 21 3.857 3.207 -0.937
157 HB3 CYS 21 1HB CYS 21 4.572 1.614 -0.824
158 H THR 22 H THR 22 4.232 0.219 -2.854
159 HA THR 22 HA THR 22 1.689 0.827 -4.132
160 HB THR 22 HB THR 22 3.676 -1.283 -5.057
161 HG1 THR 22 1HG THR 22 3.359 1.359 -5.715
162 HG21 THR 22 1HG2 THR 22 1.332 -1.903 -5.414
163 HG22 THR 22 2HG2 THR 22 2.136 -1.565 -6.951
164 HG23 THR 22 3HG2 THR 22 1.045 -0.371 -6.242
165 H CYS 23 H CYS 23 0.076 -0.749 -3.441
166 HA CYS 23 HA CYS 23 1.116 -2.578 -1.413
167 HB2 CYS 23 2HB CYS 23 -1.027 -2.442 -0.279
168 HB3 CYS 23 1HB CYS 23 -0.308 -0.844 -0.420
169 H VAL 24 H VAL 24 0.009 -4.525 -1.145
170 HA VAL 24 HA VAL 24 -1.409 -5.371 -3.534
171 HB VAL 24 HB VAL 24 0.736 -6.489 -3.537
172 HG11 VAL 24 1HG1 VAL 24 0.154 -7.381 -0.719
173 HG12 VAL 24 2HG1 VAL 24 1.410 -6.252 -1.229
174 HG13 VAL 24 3HG1 VAL 24 1.496 -7.947 -1.711
175 HG21 VAL 24 1HG2 VAL 24 -1.123 -7.857 -4.249
176 HG22 VAL 24 2HG2 VAL 24 -1.425 -8.359 -2.585
177 HG23 VAL 24 3HG2 VAL 24 0.061 -8.853 -3.397
178 HA PRO 25 HA PRO 25 -4.435 -6.086 -0.246
179 HB2 PRO 25 2HB PRO 25 -6.402 -6.078 -2.384
180 HB3 PRO 25 1HB PRO 25 -6.209 -4.911 -1.076
181 HG2 PRO 25 2HG PRO 25 -5.716 -4.299 -3.676
182 HG3 PRO 25 1HG PRO 25 -4.863 -3.532 -2.329
183 HD2 PRO 25 2HD PRO 25 -3.963 -5.775 -4.102
184 HD3 PRO 25 1HD PRO 25 -3.068 -4.344 -3.525
185 H LEU 26 H LEU 26 -4.503 -8.189 0.371
186 HA LEU 26 HA LEU 26 -5.364 -10.069 -1.633
187 HB2 LEU 26 2HB LEU 26 -3.738 -11.767 -1.004
188 HB3 LEU 26 1HB LEU 26 -2.974 -10.336 -1.636
189 HG LEU 26 HG LEU 26 -3.095 -11.013 1.310
190 HD11 LEU 26 1HD1 LEU 26 -0.943 -11.532 -0.735
191 HD12 LEU 26 2HD1 LEU 26 -1.890 -12.752 0.122
192 HD13 LEU 26 3HD1 LEU 26 -0.745 -11.740 1.000
193 HD21 LEU 26 1HD2 LEU 26 -1.331 -9.107 -0.235
194 HD22 LEU 26 2HD2 LEU 26 -1.231 -9.433 1.494
195 HD23 LEU 26 3HD2 LEU 26 -2.660 -8.645 0.825
196 HA PRO 27 HA PRO 27 -7.124 -10.362 -1.995
197 HB2 PRO 27 2HB PRO 27 -9.844 -10.824 -1.162
198 HB3 PRO 27 1HB PRO 27 -8.848 -11.818 -2.225
199 HG2 PRO 27 2HG PRO 27 -9.663 -12.669 0.219
200 HG3 PRO 27 1HG PRO 27 -8.125 -13.168 -0.505
201 HD2 PRO 27 2HD PRO 27 -8.644 -10.984 1.482
202 HD3 PRO 27 1HD PRO 27 -7.414 -12.275 1.552
203 H ILE 28 H ILE 28 -8.266 -9.062 1.040
204 HA ILE 28 HA ILE 28 -9.469 -6.785 -0.384
205 HB ILE 28 HB ILE 28 -9.935 -7.596 2.503
206 HG12 ILE 28 2HG1 ILE 28 -10.937 -9.228 0.961
207 HG13 ILE 28 1HG1 ILE 28 -12.178 -8.301 1.792
208 HG21 ILE 28 1HG2 ILE 28 -11.766 -5.941 2.449
209 HG22 ILE 28 2HG2 ILE 28 -11.243 -5.465 0.826
210 HG23 ILE 28 3HG2 ILE 28 -10.176 -5.216 2.198
211 HD11 ILE 28 1HD1 ILE 28 -11.241 -7.888 -1.044
212 HD12 ILE 28 2HD1 ILE 28 -12.481 -6.937 -0.223
213 HD13 ILE 28 3HD1 ILE 28 -12.745 -8.652 -0.536
214 H PHE 29 H PHE 29 -7.724 -7.498 2.599
215 HA PHE 29 HA PHE 29 -6.576 -4.820 2.583
216 HB2 PHE 29 2HB PHE 29 -6.594 -7.005 4.684
217 HB3 PHE 29 1HB PHE 29 -5.745 -5.481 4.861
218 HD1 PHE 29 1HD PHE 29 -6.934 -3.452 5.348
219 HD2 PHE 29 2HD PHE 29 -9.045 -7.101 4.765
220 HE1 PHE 29 1HE PHE 29 -8.954 -2.435 6.314
221 HE2 PHE 29 2HE PHE 29 -11.065 -6.083 5.725
222 HZ PHE 29 HZ PHE 29 -11.024 -3.751 6.499
223 H GLY 30 H GLY 30 -4.259 -4.576 2.849
224 HA2 GLY 30 2HA GLY 30 -2.586 -6.888 2.618
225 HA3 GLY 30 1HA GLY 30 -2.652 -5.884 1.181
226 H LEU 31 H LEU 31 -0.288 -5.886 2.018
227 HA LEU 31 HA LEU 31 0.055 -3.582 3.802
228 HB2 LEU 31 2HB LEU 31 2.051 -5.696 2.976
229 HB3 LEU 31 1HB LEU 31 2.414 -4.324 3.998
230 HG LEU 31 HG LEU 31 0.529 -6.579 4.686
231 HD11 LEU 31 1HD1 LEU 31 2.863 -7.271 4.698
232 HD12 LEU 31 2HD1 LEU 31 2.219 -7.194 6.336
233 HD13 LEU 31 3HD1 LEU 31 3.270 -5.908 5.744
234 HD21 LEU 31 1HD2 LEU 31 0.487 -5.567 6.930
235 HD22 LEU 31 2HD2 LEU 31 -0.195 -4.492 5.715
236 HD23 LEU 31 3HD2 LEU 31 1.436 -4.207 6.326
237 H CYS 32 H CYS 32 1.646 -2.015 3.205
238 HA CYS 32 HA CYS 32 1.745 -1.629 0.306
239 HB2 CYS 32 2HB CYS 32 0.600 0.105 1.713
240 HB3 CYS 32 1HB CYS 32 2.130 0.377 2.536
241 H VAL 33 H VAL 33 3.697 -1.577 -0.693
242 HA VAL 33 HA VAL 33 6.062 -1.662 1.014
243 HB VAL 33 HB VAL 33 5.530 -3.960 0.348
244 HG11 VAL 33 1HG1 VAL 33 4.220 -3.568 -1.641
245 HG12 VAL 33 2HG1 VAL 33 5.536 -4.692 -1.992
246 HG13 VAL 33 3HG1 VAL 33 5.653 -3.008 -2.504
247 HG21 VAL 33 1HG2 VAL 33 7.900 -2.889 -1.173
248 HG22 VAL 33 2HG2 VAL 33 7.612 -4.588 -0.810
249 HG23 VAL 33 3HG2 VAL 33 7.888 -3.443 0.503
250 HA PRO 34 HA PRO 34 7.500 1.490 -1.831
251 HB2 PRO 34 2HB PRO 34 10.189 1.251 -1.281
252 HB3 PRO 34 1HB PRO 34 9.058 2.163 -0.271
253 HG2 PRO 34 2HG PRO 34 10.115 -0.601 0.081
254 HG3 PRO 34 1HG PRO 34 9.865 0.661 1.306
255 HD2 PRO 34 2HD PRO 34 8.169 -1.396 0.991
256 HD3 PRO 34 1HD PRO 34 7.600 0.220 1.453
257 H ASP 35 H ASP 35 7.514 1.029 -3.908
258 HA ASP 35 HA ASP 35 9.011 -1.349 -4.805
259 HB2 ASP 35 2HB ASP 35 6.536 -1.542 -5.005
260 HB3 ASP 35 1HB ASP 35 6.569 -0.123 -6.052
261 H VAL 36 H VAL 36 8.620 2.039 -5.143
262 HA VAL 36 HA VAL 36 10.108 1.971 -7.615
263 HB VAL 36 HB VAL 36 8.683 4.327 -6.327
264 HG11 VAL 36 1HG1 VAL 36 9.996 4.082 -9.037
265 HG12 VAL 36 2HG1 VAL 36 10.585 5.042 -7.679
266 HG13 VAL 36 3HG1 VAL 36 9.066 5.469 -8.471
267 HG21 VAL 36 1HG2 VAL 36 7.908 2.644 -8.715
268 HG22 VAL 36 2HG2 VAL 36 7.055 4.083 -8.154
269 HG23 VAL 36 3HG2 VAL 36 7.114 2.641 -7.140
Start of MODEL 19
1 H1 LEU 1 1HT LEU 1 7.641 -1.289 6.896
2 H2 LEU 1 2HT LEU 1 8.794 -2.134 6.095
3 H3 LEU 1 3HT LEU 1 7.297 -2.865 6.343
4 HA LEU 1 HA LEU 1 7.473 -2.123 4.061
5 HB2 LEU 1 2HB LEU 1 5.888 -0.130 5.706
6 HB3 LEU 1 1HB LEU 1 5.824 -0.192 3.968
7 HG LEU 1 HG LEU 1 4.890 -2.552 4.235
8 HD11 LEU 1 1HD1 LEU 1 5.547 -2.945 6.543
9 HD12 LEU 1 2HD1 LEU 1 3.800 -3.054 6.339
10 HD13 LEU 1 3HD1 LEU 1 4.510 -1.616 7.066
11 HD21 LEU 1 1HD2 LEU 1 2.646 -1.716 4.671
12 HD22 LEU 1 2HD2 LEU 1 3.548 -0.646 3.601
13 HD23 LEU 1 3HD2 LEU 1 3.326 -0.215 5.294
14 HA PRO 2 HA PRO 2 10.251 1.408 3.187
15 HB2 PRO 2 2HB PRO 2 9.066 2.414 0.975
16 HB3 PRO 2 1HB PRO 2 9.998 0.912 0.906
17 HG2 PRO 2 2HG PRO 2 7.035 1.277 1.169
18 HG3 PRO 2 1HG PRO 2 7.921 0.234 0.041
19 HD2 PRO 2 2HD PRO 2 6.869 -0.807 2.238
20 HD3 PRO 2 1HD PRO 2 8.502 -1.290 1.737
21 H ARG 3 H ARG 3 10.023 3.731 2.638
22 HA ARG 3 HA ARG 3 8.384 4.804 4.705
23 HB2 ARG 3 2HB ARG 3 10.223 6.192 2.774
24 HB3 ARG 3 1HB ARG 3 9.499 6.864 4.232
25 HG2 ARG 3 2HG ARG 3 10.751 5.325 5.604
26 HG3 ARG 3 1HG ARG 3 11.430 4.569 4.169
27 HD2 ARG 3 2HD ARG 3 11.822 7.431 5.029
28 HD3 ARG 3 1HD ARG 3 13.005 6.130 5.134
29 HE ARG 3 HE ARG 3 12.268 6.220 2.506
30 HH11 ARG 3 1HH1 ARG 3 13.755 8.477 4.781
31 HH12 ARG 3 2HH1 ARG 3 14.561 9.382 3.589
32 HH21 ARG 3 1HH2 ARG 3 13.381 7.452 0.866
33 HH22 ARG 3 2HH2 ARG 3 14.349 8.785 1.299
34 H CYS 4 H CYS 4 6.325 4.566 4.023
35 HA CYS 4 HA CYS 4 5.447 6.400 1.905
36 HB2 CYS 4 2HB CYS 4 4.226 3.731 2.650
37 HB3 CYS 4 1HB CYS 4 3.568 4.848 1.465
38 H ASP 5 H ASP 5 5.558 5.838 5.133
39 HA ASP 5 HA ASP 5 4.633 6.760 6.946
40 HB2 ASP 5 2HB ASP 5 4.667 8.885 5.761
41 HB3 ASP 5 1HB ASP 5 3.185 8.491 4.915
42 H SER 6 H SER 6 2.992 4.778 5.015
43 HA SER 6 HA SER 6 0.643 4.728 6.764
44 HB2 SER 6 2HB SER 6 0.827 3.854 3.876
45 HB3 SER 6 1HB SER 6 -0.616 3.792 4.890
46 HG SER 6 HG SER 6 0.261 5.783 3.424
47 HA PRO 7 HA PRO 7 2.159 0.673 7.848
48 HB2 PRO 7 2HB PRO 7 0.111 -0.096 9.415
49 HB3 PRO 7 1HB PRO 7 1.253 1.145 9.933
50 HG2 PRO 7 2HG PRO 7 -1.497 1.447 8.818
51 HG3 PRO 7 1HG PRO 7 -0.726 2.332 10.142
52 HD2 PRO 7 2HD PRO 7 -0.951 3.298 7.558
53 HD3 PRO 7 1HD PRO 7 0.315 3.803 8.706
54 H PHE 8 H PHE 8 -1.125 1.125 6.630
55 HA PHE 8 HA PHE 8 -0.959 -1.315 5.073
56 HB2 PHE 8 2HB PHE 8 -3.267 -0.718 6.953
57 HB3 PHE 8 1HB PHE 8 -3.213 -2.018 5.779
58 HD1 PHE 8 1HD PHE 8 -2.319 -0.925 9.089
59 HD2 PHE 8 2HD PHE 8 -1.629 -3.900 6.130
60 HE1 PHE 8 1HE PHE 8 -1.365 -2.396 10.799
61 HE2 PHE 8 2HE PHE 8 -0.671 -5.379 7.840
62 HZ PHE 8 HZ PHE 8 -0.539 -4.624 10.175
63 H CYS 9 H CYS 9 -2.577 -1.304 3.466
64 HA CYS 9 HA CYS 9 -4.144 1.116 3.115
65 HB2 CYS 9 2HB CYS 9 -3.491 1.242 0.748
66 HB3 CYS 9 1HB CYS 9 -2.057 1.351 1.766
67 H SER 10 H SER 10 -5.381 0.280 0.706
68 HA SER 10 HA SER 10 -6.168 -2.459 1.220
69 HB2 SER 10 2HB SER 10 -8.590 -1.721 1.028
70 HB3 SER 10 1HB SER 10 -7.784 -1.214 2.516
71 HG SER 10 HG SER 10 -7.570 0.798 1.733
72 H LEU 11 H LEU 11 -7.448 -3.276 -0.678
73 HA LEU 11 HA LEU 11 -6.371 -2.331 -3.107
74 HB2 LEU 11 2HB LEU 11 -7.920 -3.967 -4.184
75 HB3 LEU 11 1HB LEU 11 -6.883 -4.617 -2.926
76 HG LEU 11 HG LEU 11 -8.908 -4.491 -1.387
77 HD11 LEU 11 1HD1 LEU 11 -10.307 -3.009 -2.688
78 HD12 LEU 11 2HD1 LEU 11 -11.102 -4.565 -2.446
79 HD13 LEU 11 3HD1 LEU 11 -10.358 -4.184 -4.001
80 HD21 LEU 11 1HD2 LEU 11 -9.792 -6.596 -2.188
81 HD22 LEU 11 2HD2 LEU 11 -8.031 -6.566 -2.308
82 HD23 LEU 11 3HD2 LEU 11 -9.022 -6.338 -3.749
83 H PHE 12 H PHE 12 -9.063 -1.486 -1.340
84 HA PHE 12 HA PHE 12 -10.480 -0.067 -3.403
85 HB2 PHE 12 2HB PHE 12 -10.623 0.284 -0.392
86 HB3 PHE 12 1HB PHE 12 -11.745 0.971 -1.550
87 HD1 PHE 12 1HD PHE 12 -11.129 -1.715 0.642
88 HD2 PHE 12 2HD PHE 12 -12.967 -0.757 -3.072
89 HE1 PHE 12 1HE PHE 12 -12.533 -3.717 0.822
90 HE2 PHE 12 2HE PHE 12 -14.377 -2.755 -2.892
91 HZ PHE 12 HZ PHE 12 -14.163 -4.242 -0.943
92 H ARG 13 H ARG 13 -8.617 0.970 -0.560
93 HA ARG 13 HA ARG 13 -7.955 3.434 -1.968
94 HB2 ARG 13 2HB ARG 13 -8.404 2.812 0.902
95 HB3 ARG 13 1HB ARG 13 -7.228 4.057 0.507
96 HG2 ARG 13 2HG ARG 13 -9.337 5.123 0.959
97 HG3 ARG 13 1HG ARG 13 -8.994 5.268 -0.756
98 HD2 ARG 13 2HD ARG 13 -11.316 4.754 -0.483
99 HD3 ARG 13 1HD ARG 13 -10.516 3.334 -1.152
100 HE ARG 13 HE ARG 13 -10.454 2.794 1.460
101 HH11 ARG 13 1HH1 ARG 13 -13.159 3.930 -0.543
102 HH12 ARG 13 2HH1 ARG 13 -14.335 3.167 0.405
103 HH21 ARG 13 1HH2 ARG 13 -12.064 1.779 2.721
104 HH22 ARG 13 2HH2 ARG 13 -13.713 1.933 2.327
105 H ILE 14 H ILE 14 -6.330 2.781 -3.123
106 HA ILE 14 HA ILE 14 -4.054 1.520 -1.820
107 HB ILE 14 HB ILE 14 -3.070 1.394 -4.092
108 HG12 ILE 14 2HG1 ILE 14 -5.674 2.604 -5.028
109 HG13 ILE 14 1HG1 ILE 14 -4.131 3.458 -5.012
110 HG21 ILE 14 1HG2 ILE 14 -4.673 -0.215 -5.053
111 HG22 ILE 14 2HG2 ILE 14 -5.898 0.363 -3.920
112 HG23 ILE 14 3HG2 ILE 14 -4.457 -0.444 -3.316
113 HD11 ILE 14 1HD1 ILE 14 -4.698 2.642 -7.237
114 HD12 ILE 14 2HD1 ILE 14 -4.788 0.993 -6.597
115 HD13 ILE 14 3HD1 ILE 14 -3.247 1.846 -6.620
116 H GLY 15 H GLY 15 -5.266 4.484 -2.263
117 HA2 GLY 15 2HA GLY 15 -3.037 6.057 -2.999
118 HA3 GLY 15 1HA GLY 15 -4.499 6.638 -2.226
119 H LEU 16 H LEU 16 -3.618 4.401 -0.115
120 HA LEU 16 HA LEU 16 -2.339 6.202 1.668
121 HB2 LEU 16 2HB LEU 16 -2.771 3.229 1.775
122 HB3 LEU 16 1HB LEU 16 -1.857 4.041 3.029
123 HG LEU 16 HG LEU 16 -4.052 3.658 3.835
124 HD11 LEU 16 1HD1 LEU 16 -3.086 5.765 4.470
125 HD12 LEU 16 2HD1 LEU 16 -4.839 5.875 4.358
126 HD13 LEU 16 3HD1 LEU 16 -3.837 6.557 3.081
127 HD21 LEU 16 1HD2 LEU 16 -5.240 3.335 1.744
128 HD22 LEU 16 2HD2 LEU 16 -5.084 5.049 1.371
129 HD23 LEU 16 3HD2 LEU 16 -6.073 4.533 2.735
130 H CYS 17 H CYS 17 -1.237 4.022 -0.710
131 HA CYS 17 HA CYS 17 1.534 4.411 0.081
132 HB2 CYS 17 2HB CYS 17 0.344 2.745 -2.156
133 HB3 CYS 17 1HB CYS 17 2.009 2.697 -1.586
134 H GLY 18 H GLY 18 2.092 6.410 -0.551
135 HA2 GLY 18 2HA GLY 18 0.745 7.825 -2.586
136 HA3 GLY 18 1HA GLY 18 2.101 8.386 -1.642
137 H ASP 19 H ASP 19 1.357 6.200 -4.280
138 HA ASP 19 HA ASP 19 1.855 6.142 -6.455
139 HB2 ASP 19 2HB ASP 19 1.741 8.534 -6.330
140 HB3 ASP 19 1HB ASP 19 3.465 8.640 -5.985
141 H LYS 20 H LYS 20 4.356 6.584 -4.339
142 HA LYS 20 HA LYS 20 6.387 5.490 -6.106
143 HB2 LYS 20 2HB LYS 20 6.554 6.241 -3.201
144 HB3 LYS 20 1HB LYS 20 7.929 5.764 -4.197
145 HG2 LYS 20 2HG LYS 20 7.559 7.657 -5.656
146 HG3 LYS 20 1HG LYS 20 6.136 8.115 -4.721
147 HD2 LYS 20 2HD LYS 20 7.542 8.401 -2.759
148 HD3 LYS 20 1HD LYS 20 8.968 8.014 -3.726
149 HE2 LYS 20 2HE LYS 20 7.081 10.297 -4.271
150 HE3 LYS 20 1HE LYS 20 8.618 10.460 -3.433
151 HZ1 LYS 20 1HZ LYS 20 9.728 9.668 -5.456
152 HZ2 LYS 20 2HZ LYS 20 8.833 11.064 -5.746
153 HZ3 LYS 20 3HZ LYS 20 8.246 9.593 -6.270
154 H CYS 21 H CYS 21 4.247 4.411 -3.746
155 HA CYS 21 HA CYS 21 5.349 1.769 -4.023
156 HB2 CYS 21 2HB CYS 21 4.281 1.411 -1.688
157 HB3 CYS 21 1HB CYS 21 5.886 2.106 -1.829
158 H THR 22 H THR 22 3.922 0.111 -3.991
159 HA THR 22 HA THR 22 1.252 0.797 -5.007
160 HB THR 22 HB THR 22 3.146 -1.496 -5.600
161 HG1 THR 22 1HG THR 22 3.136 0.925 -6.539
162 HG21 THR 22 1HG2 THR 22 0.791 -2.234 -5.790
163 HG22 THR 22 2HG2 THR 22 1.576 -2.163 -7.369
164 HG23 THR 22 3HG2 THR 22 0.471 -0.879 -6.876
165 H CYS 23 H CYS 23 -0.478 -0.724 -4.322
166 HA CYS 23 HA CYS 23 0.018 -1.789 -1.689
167 HB2 CYS 23 2HB CYS 23 -2.468 -1.362 -3.298
168 HB3 CYS 23 1HB CYS 23 -2.468 -2.293 -1.805
169 H VAL 24 H VAL 24 0.390 -3.776 -1.266
170 HA VAL 24 HA VAL 24 -0.346 -5.891 -3.181
171 HB VAL 24 HB VAL 24 1.275 -6.125 -0.627
172 HG11 VAL 24 1HG1 VAL 24 0.298 -8.215 -1.356
173 HG12 VAL 24 2HG1 VAL 24 2.051 -8.244 -1.561
174 HG13 VAL 24 3HG1 VAL 24 1.002 -8.004 -2.960
175 HG21 VAL 24 1HG2 VAL 24 2.445 -4.653 -2.132
176 HG22 VAL 24 2HG2 VAL 24 2.286 -5.823 -3.438
177 HG23 VAL 24 3HG2 VAL 24 3.278 -6.205 -2.030
178 HA PRO 25 HA PRO 25 -3.551 -6.031 0.041
179 HB2 PRO 25 2HB PRO 25 -5.609 -6.826 -1.545
180 HB3 PRO 25 1HB PRO 25 -5.097 -5.150 -1.376
181 HG2 PRO 25 2HG PRO 25 -4.740 -6.991 -3.646
182 HG3 PRO 25 1HG PRO 25 -4.716 -5.225 -3.619
183 HD2 PRO 25 2HD PRO 25 -2.482 -7.007 -3.698
184 HD3 PRO 25 1HD PRO 25 -2.458 -5.237 -3.601
185 H LEU 26 H LEU 26 -3.648 -7.688 1.378
186 HA LEU 26 HA LEU 26 -3.992 -10.310 0.225
187 HB2 LEU 26 2HB LEU 26 -2.368 -11.341 1.772
188 HB3 LEU 26 1HB LEU 26 -1.629 -10.252 0.627
189 HG LEU 26 HG LEU 26 -2.205 -9.395 3.469
190 HD11 LEU 26 1HD1 LEU 26 0.112 -10.011 3.993
191 HD12 LEU 26 2HD1 LEU 26 0.275 -10.733 2.392
192 HD13 LEU 26 3HD1 LEU 26 -0.849 -11.424 3.561
193 HD21 LEU 26 1HD2 LEU 26 -1.651 -7.631 1.863
194 HD22 LEU 26 2HD2 LEU 26 -0.168 -8.484 1.433
195 HD23 LEU 26 3HD2 LEU 26 -0.373 -7.834 3.061
196 HA PRO 27 HA PRO 27 -5.780 -10.648 -0.202
197 HB2 PRO 27 2HB PRO 27 -8.584 -10.827 0.354
198 HB3 PRO 27 1HB PRO 27 -7.494 -12.137 -0.097
199 HG2 PRO 27 2HG PRO 27 -8.717 -11.927 2.359
200 HG3 PRO 27 1HG PRO 27 -7.210 -12.808 2.068
201 HD2 PRO 27 2HD PRO 27 -7.611 -10.055 3.181
202 HD3 PRO 27 1HD PRO 27 -6.474 -11.321 3.692
203 H ILE 28 H ILE 28 -7.451 -8.589 2.067
204 HA ILE 28 HA ILE 28 -8.208 -6.765 -0.116
205 HB ILE 28 HB ILE 28 -9.415 -6.860 2.669
206 HG12 ILE 28 2HG1 ILE 28 -10.552 -7.909 0.060
207 HG13 ILE 28 1HG1 ILE 28 -9.915 -8.914 1.356
208 HG21 ILE 28 1HG2 ILE 28 -11.147 -5.413 1.686
209 HG22 ILE 28 2HG2 ILE 28 -10.289 -5.431 0.148
210 HG23 ILE 28 3HG2 ILE 28 -9.552 -4.668 1.557
211 HD11 ILE 28 1HD1 ILE 28 -12.318 -7.105 1.529
212 HD12 ILE 28 2HD1 ILE 28 -11.684 -8.099 2.840
213 HD13 ILE 28 3HD1 ILE 28 -12.342 -8.863 1.393
214 H PHE 29 H PHE 29 -7.078 -6.772 3.288
215 HA PHE 29 HA PHE 29 -6.147 -4.077 3.192
216 HB2 PHE 29 2HB PHE 29 -5.395 -6.346 5.065
217 HB3 PHE 29 1HB PHE 29 -4.896 -4.679 5.274
218 HD1 PHE 29 1HD PHE 29 -6.848 -2.940 5.472
219 HD2 PHE 29 2HD PHE 29 -7.268 -7.126 6.151
220 HE1 PHE 29 1HE PHE 29 -8.834 -2.514 6.855
221 HE2 PHE 29 2HE PHE 29 -9.259 -6.705 7.527
222 HZ PHE 29 HZ PHE 29 -10.046 -4.396 7.884
223 H GLY 30 H GLY 30 -4.186 -3.352 2.546
224 HA2 GLY 30 2HA GLY 30 -2.348 -5.434 1.640
225 HA3 GLY 30 1HA GLY 30 -2.735 -4.037 0.639
226 H LEU 31 H LEU 31 -0.237 -4.594 1.076
227 HA LEU 31 HA LEU 31 0.686 -2.631 3.071
228 HB2 LEU 31 2HB LEU 31 2.145 -4.985 1.882
229 HB3 LEU 31 1HB LEU 31 2.819 -3.838 3.017
230 HG LEU 31 HG LEU 31 0.569 -5.758 3.605
231 HD11 LEU 31 1HD1 LEU 31 2.241 -6.888 4.998
232 HD12 LEU 31 2HD1 LEU 31 3.469 -5.772 4.395
233 HD13 LEU 31 3HD1 LEU 31 2.678 -6.892 3.290
234 HD21 LEU 31 1HD2 LEU 31 0.912 -5.062 5.930
235 HD22 LEU 31 2HD2 LEU 31 0.405 -3.712 4.919
236 HD23 LEU 31 3HD2 LEU 31 2.095 -3.870 5.395
237 H CYS 32 H CYS 32 2.265 -1.199 2.385
238 HA CYS 32 HA CYS 32 2.281 -0.550 -0.397
239 HB2 CYS 32 2HB CYS 32 3.826 0.629 1.926
240 HB3 CYS 32 1HB CYS 32 3.799 1.296 0.306
241 H VAL 33 H VAL 33 3.485 -1.671 -1.758
242 HA VAL 33 HA VAL 33 6.140 -2.604 -0.944
243 HB VAL 33 HB VAL 33 4.584 -4.256 -2.035
244 HG11 VAL 33 1HG1 VAL 33 4.148 -4.148 -4.441
245 HG12 VAL 33 2HG1 VAL 33 4.864 -2.535 -4.479
246 HG13 VAL 33 3HG1 VAL 33 3.390 -2.823 -3.553
247 HG21 VAL 33 1HG2 VAL 33 7.078 -3.655 -3.615
248 HG22 VAL 33 2HG2 VAL 33 6.172 -5.165 -3.683
249 HG23 VAL 33 3HG2 VAL 33 6.956 -4.675 -2.181
250 HA PRO 34 HA PRO 34 7.755 0.903 -3.144
251 HB2 PRO 34 2HB PRO 34 10.338 0.096 -3.406
252 HB3 PRO 34 1HB PRO 34 9.676 0.719 -1.889
253 HG2 PRO 34 2HG PRO 34 10.163 -2.097 -2.736
254 HG3 PRO 34 1HG PRO 34 10.413 -1.355 -1.147
255 HD2 PRO 34 2HD PRO 34 8.277 -2.911 -1.783
256 HD3 PRO 34 1HD PRO 34 8.209 -1.640 -0.555
257 H ASP 35 H ASP 35 7.165 1.109 -5.198
258 HA ASP 35 HA ASP 35 7.720 -1.101 -7.044
259 HB2 ASP 35 2HB ASP 35 5.401 -0.010 -6.898
260 HB3 ASP 35 1HB ASP 35 6.150 1.389 -7.672
261 H VAL 36 H VAL 36 8.300 2.287 -6.532
262 HA VAL 36 HA VAL 36 10.376 2.122 -8.530
263 HB VAL 36 HB VAL 36 8.889 3.897 -9.210
264 HG11 VAL 36 1HG1 VAL 36 7.690 4.234 -7.145
265 HG12 VAL 36 2HG1 VAL 36 8.268 5.777 -7.782
266 HG13 VAL 36 3HG1 VAL 36 9.098 5.013 -6.426
267 HG21 VAL 36 1HG2 VAL 36 11.235 5.149 -7.804
268 HG22 VAL 36 2HG2 VAL 36 10.298 5.888 -9.104
269 HG23 VAL 36 3HG2 VAL 36 11.256 4.435 -9.413
Start of MODEL 20
1 H1 LEU 1 1HT LEU 1 16.057 8.613 2.571
2 H2 LEU 1 2HT LEU 1 15.782 9.812 1.451
3 H3 LEU 1 3HT LEU 1 17.083 8.770 1.232
4 HA LEU 1 HA LEU 1 15.258 8.216 -0.227
5 HB2 LEU 1 2HB LEU 1 15.638 6.253 2.048
6 HB3 LEU 1 1HB LEU 1 14.669 5.889 0.646
7 HG LEU 1 HG LEU 1 16.737 4.813 0.381
8 HD11 LEU 1 1HD1 LEU 1 17.626 5.756 -1.670
9 HD12 LEU 1 2HD1 LEU 1 16.723 7.238 -1.370
10 HD13 LEU 1 3HD1 LEU 1 15.864 5.719 -1.640
11 HD21 LEU 1 1HD2 LEU 1 18.135 7.449 0.835
12 HD22 LEU 1 2HD2 LEU 1 18.905 5.926 0.403
13 HD23 LEU 1 3HD2 LEU 1 18.089 6.090 1.957
14 HA PRO 2 HA PRO 2 11.253 9.059 1.480
15 HB2 PRO 2 2HB PRO 2 9.771 8.426 -0.674
16 HB3 PRO 2 1HB PRO 2 10.754 9.894 -0.644
17 HG2 PRO 2 2HG PRO 2 11.294 7.280 -1.977
18 HG3 PRO 2 1HG PRO 2 11.634 8.926 -2.539
19 HD2 PRO 2 2HD PRO 2 13.509 7.239 -1.394
20 HD3 PRO 2 1HD PRO 2 13.633 9.008 -1.447
21 H ARG 3 H ARG 3 9.709 7.917 2.428
22 HA ARG 3 HA ARG 3 9.600 5.057 1.916
23 HB2 ARG 3 2HB ARG 3 9.670 6.389 4.636
24 HB3 ARG 3 1HB ARG 3 9.415 4.676 4.345
25 HG2 ARG 3 2HG ARG 3 11.671 4.540 3.356
26 HG3 ARG 3 1HG ARG 3 11.913 6.244 3.742
27 HD2 ARG 3 2HD ARG 3 11.381 4.027 5.709
28 HD3 ARG 3 1HD ARG 3 12.934 4.805 5.415
29 HE ARG 3 HE ARG 3 11.339 6.864 6.087
30 HH11 ARG 3 1HH1 ARG 3 11.929 3.747 7.640
31 HH12 ARG 3 2HH1 ARG 3 11.715 4.331 9.217
32 HH21 ARG 3 1HH2 ARG 3 11.053 7.669 8.228
33 HH22 ARG 3 2HH2 ARG 3 11.204 6.645 9.581
34 H CYS 4 H CYS 4 7.507 4.375 3.473
35 HA CYS 4 HA CYS 4 5.491 6.232 2.437
36 HB2 CYS 4 2HB CYS 4 5.234 3.267 2.895
37 HB3 CYS 4 1HB CYS 4 4.000 4.322 2.205
38 H ASP 5 H ASP 5 6.096 3.983 5.090
39 HA ASP 5 HA ASP 5 5.454 3.890 7.243
40 HB2 ASP 5 2HB ASP 5 6.205 6.360 7.233
41 HB3 ASP 5 1HB ASP 5 4.506 6.772 7.053
42 H SER 6 H SER 6 3.725 3.257 5.100
43 HA SER 6 HA SER 6 1.039 3.890 5.973
44 HB2 SER 6 2HB SER 6 1.998 2.114 3.725
45 HB3 SER 6 1HB SER 6 0.401 2.851 3.914
46 HG SER 6 HG SER 6 1.505 4.148 2.519
47 HA PRO 7 HA PRO 7 1.344 0.160 8.548
48 HB2 PRO 7 2HB PRO 7 -1.240 0.221 9.465
49 HB3 PRO 7 1HB PRO 7 0.075 1.171 10.162
50 HG2 PRO 7 2HG PRO 7 -2.054 1.994 8.246
51 HG3 PRO 7 1HG PRO 7 -1.362 2.889 9.607
52 HD2 PRO 7 2HD PRO 7 -0.680 3.377 7.037
53 HD3 PRO 7 1HD PRO 7 0.463 3.589 8.378
54 H PHE 8 H PHE 8 -1.583 0.656 6.572
55 HA PHE 8 HA PHE 8 -1.341 -2.013 5.494
56 HB2 PHE 8 2HB PHE 8 -3.783 -1.032 6.993
57 HB3 PHE 8 1HB PHE 8 -3.862 -2.323 5.808
58 HD1 PHE 8 1HD PHE 8 -3.000 -1.410 9.194
59 HD2 PHE 8 2HD PHE 8 -2.685 -4.457 6.244
60 HE1 PHE 8 1HE PHE 8 -2.453 -3.052 10.943
61 HE2 PHE 8 2HE PHE 8 -2.140 -6.093 7.987
62 HZ PHE 8 HZ PHE 8 -2.026 -5.392 10.337
63 H CYS 9 H CYS 9 -3.349 -2.187 3.859
64 HA CYS 9 HA CYS 9 -4.077 0.328 2.684
65 HB2 CYS 9 2HB CYS 9 -1.758 -0.274 1.845
66 HB3 CYS 9 1HB CYS 9 -2.478 -1.712 1.124
67 H SER 10 H SER 10 -5.615 -0.224 0.856
68 HA SER 10 HA SER 10 -6.680 -2.926 0.983
69 HB2 SER 10 2HB SER 10 -8.998 -2.080 1.430
70 HB3 SER 10 1HB SER 10 -7.901 -1.837 2.789
71 HG SER 10 HG SER 10 -8.073 0.198 2.592
72 H LEU 11 H LEU 11 -8.514 -3.154 -0.663
73 HA LEU 11 HA LEU 11 -7.664 -2.010 -3.093
74 HB2 LEU 11 2HB LEU 11 -9.567 -3.179 -4.153
75 HB3 LEU 11 1HB LEU 11 -8.639 -4.196 -3.076
76 HG LEU 11 HG LEU 11 -10.508 -3.871 -1.364
77 HD11 LEU 11 1HD1 LEU 11 -11.601 -1.935 -2.362
78 HD12 LEU 11 2HD1 LEU 11 -12.712 -3.297 -2.224
79 HD13 LEU 11 3HD1 LEU 11 -12.003 -2.892 -3.789
80 HD21 LEU 11 1HD2 LEU 11 -11.864 -5.609 -2.325
81 HD22 LEU 11 2HD2 LEU 11 -10.164 -5.920 -2.707
82 HD23 LEU 11 3HD2 LEU 11 -11.238 -5.249 -3.926
83 H PHE 12 H PHE 12 -9.721 -0.993 -0.721
84 HA PHE 12 HA PHE 12 -11.194 0.946 -2.286
85 HB2 PHE 12 2HB PHE 12 -10.941 0.678 0.719
86 HB3 PHE 12 1HB PHE 12 -12.041 1.754 -0.120
87 HD1 PHE 12 1HD PHE 12 -13.798 0.645 -1.643
88 HD2 PHE 12 2HD PHE 12 -11.620 -1.443 1.364
89 HE1 PHE 12 1HE PHE 12 -15.544 -1.073 -1.574
90 HE2 PHE 12 2HE PHE 12 -13.364 -3.170 1.424
91 HZ PHE 12 HZ PHE 12 -15.327 -2.992 -0.039
92 H ARG 13 H ARG 13 -8.841 1.084 0.390
93 HA ARG 13 HA ARG 13 -8.125 3.760 -0.488
94 HB2 ARG 13 2HB ARG 13 -7.857 2.369 2.161
95 HB3 ARG 13 1HB ARG 13 -6.858 3.761 1.787
96 HG2 ARG 13 2HG ARG 13 -8.706 4.522 3.078
97 HG3 ARG 13 1HG ARG 13 -8.962 5.073 1.427
98 HD2 ARG 13 2HD ARG 13 -11.032 4.266 2.368
99 HD3 ARG 13 1HD ARG 13 -10.506 3.187 1.076
100 HE ARG 13 HE ARG 13 -9.489 2.161 3.427
101 HH11 ARG 13 1HH1 ARG 13 -12.724 2.800 2.138
102 HH12 ARG 13 2HH1 ARG 13 -13.471 1.525 2.961
103 HH21 ARG 13 1HH2 ARG 13 -10.485 0.422 4.571
104 HH22 ARG 13 2HH2 ARG 13 -12.148 0.116 4.403
105 H ILE 14 H ILE 14 -6.801 3.249 -2.153
106 HA ILE 14 HA ILE 14 -4.394 1.693 -1.527
107 HB ILE 14 HB ILE 14 -3.891 1.787 -3.952
108 HG12 ILE 14 2HG1 ILE 14 -6.603 3.082 -4.215
109 HG13 ILE 14 1HG1 ILE 14 -5.062 3.904 -4.444
110 HG21 ILE 14 1HG2 ILE 14 -5.674 0.275 -4.710
111 HG22 ILE 14 2HG2 ILE 14 -6.615 0.702 -3.281
112 HG23 ILE 14 3HG2 ILE 14 -5.072 -0.131 -3.102
113 HD11 ILE 14 1HD1 ILE 14 -6.087 1.598 -6.069
114 HD12 ILE 14 2HD1 ILE 14 -4.563 2.461 -6.316
115 HD13 ILE 14 3HD1 ILE 14 -6.103 3.295 -6.556
116 H GLY 15 H GLY 15 -5.447 4.701 -1.305
117 HA2 GLY 15 2HA GLY 15 -3.295 6.243 -2.380
118 HA3 GLY 15 1HA GLY 15 -4.512 6.810 -1.245
119 H LEU 16 H LEU 16 -3.448 4.214 0.224
120 HA LEU 16 HA LEU 16 -1.696 5.520 2.031
121 HB2 LEU 16 2HB LEU 16 -2.457 2.652 1.577
122 HB3 LEU 16 1HB LEU 16 -1.138 3.038 2.651
123 HG LEU 16 HG LEU 16 -3.133 2.612 3.912
124 HD11 LEU 16 1HD1 LEU 16 -1.602 4.260 4.783
125 HD12 LEU 16 2HD1 LEU 16 -3.261 4.612 5.246
126 HD13 LEU 16 3HD1 LEU 16 -2.493 5.545 3.962
127 HD21 LEU 16 1HD2 LEU 16 -5.132 4.028 3.743
128 HD22 LEU 16 2HD2 LEU 16 -4.817 3.153 2.243
129 HD23 LEU 16 3HD2 LEU 16 -4.411 4.867 2.368
130 H CYS 17 H CYS 17 -1.296 3.626 -0.847
131 HA CYS 17 HA CYS 17 1.578 4.137 -0.689
132 HB2 CYS 17 2HB CYS 17 0.397 1.698 -1.996
133 HB3 CYS 17 1HB CYS 17 2.052 1.989 -1.506
134 H GLY 18 H GLY 18 1.096 6.009 -1.965
135 HA2 GLY 18 2HA GLY 18 0.085 5.379 -4.646
136 HA3 GLY 18 1HA GLY 18 -0.023 6.954 -3.877
137 H ASP 19 H ASP 19 1.867 4.805 -5.722
138 HA ASP 19 HA ASP 19 3.550 5.058 -7.140
139 HB2 ASP 19 2HB ASP 19 2.547 7.165 -7.651
140 HB3 ASP 19 1HB ASP 19 3.458 7.974 -6.384
141 H LYS 20 H LYS 20 3.864 6.129 -4.025
142 HA LYS 20 HA LYS 20 6.755 6.155 -3.884
143 HB2 LYS 20 2HB LYS 20 4.700 6.028 -1.685
144 HB3 LYS 20 1HB LYS 20 6.422 6.277 -1.445
145 HG2 LYS 20 2HG LYS 20 6.320 8.380 -2.618
146 HG3 LYS 20 1HG LYS 20 4.613 8.115 -2.994
147 HD2 LYS 20 2HD LYS 20 4.115 8.031 -0.629
148 HD3 LYS 20 1HD LYS 20 5.803 8.364 -0.244
149 HE2 LYS 20 2HE LYS 20 5.671 10.522 -1.324
150 HE3 LYS 20 1HE LYS 20 4.027 10.201 -1.858
151 HZ1 LYS 20 1HZ LYS 20 3.995 11.601 0.081
152 HZ2 LYS 20 2HZ LYS 20 4.950 10.526 0.945
153 HZ3 LYS 20 3HZ LYS 20 3.386 10.094 0.511
154 H CYS 21 H CYS 21 4.172 3.902 -3.422
155 HA CYS 21 HA CYS 21 5.857 1.659 -3.447
156 HB2 CYS 21 2HB CYS 21 4.731 0.867 -1.224
157 HB3 CYS 21 1HB CYS 21 6.190 1.832 -1.129
158 H THR 22 H THR 22 4.205 -0.303 -2.896
159 HA THR 22 HA THR 22 1.677 0.373 -4.172
160 HB THR 22 HB THR 22 3.543 -1.890 -4.973
161 HG1 THR 22 1HG THR 22 4.209 -0.628 -6.548
162 HG21 THR 22 1HG2 THR 22 1.147 -2.445 -5.265
163 HG22 THR 22 2HG2 THR 22 1.956 -2.253 -6.824
164 HG23 THR 22 3HG2 THR 22 0.932 -0.962 -6.195
165 H CYS 23 H CYS 23 -0.028 -1.085 -3.535
166 HA CYS 23 HA CYS 23 0.765 -3.004 -1.498
167 HB2 CYS 23 2HB CYS 23 -1.264 -2.528 -0.259
168 HB3 CYS 23 1HB CYS 23 -0.317 -1.055 -0.422
169 H VAL 24 H VAL 24 -0.186 -4.963 -1.651
170 HA VAL 24 HA VAL 24 -2.026 -5.325 -3.891
171 HB VAL 24 HB VAL 24 -0.143 -7.361 -2.659
172 HG11 VAL 24 1HG1 VAL 24 -0.781 -8.787 -4.553
173 HG12 VAL 24 2HG1 VAL 24 -1.934 -7.560 -5.077
174 HG13 VAL 24 3HG1 VAL 24 -2.162 -8.384 -3.533
175 HG21 VAL 24 1HG2 VAL 24 1.095 -7.220 -4.787
176 HG22 VAL 24 2HG2 VAL 24 1.098 -5.688 -3.920
177 HG23 VAL 24 3HG2 VAL 24 0.035 -5.912 -5.305
178 HA PRO 25 HA PRO 25 -4.766 -6.230 -0.354
179 HB2 PRO 25 2HB PRO 25 -6.758 -6.179 -2.535
180 HB3 PRO 25 1HB PRO 25 -6.731 -5.255 -1.031
181 HG2 PRO 25 2HG PRO 25 -6.249 -4.073 -3.377
182 HG3 PRO 25 1HG PRO 25 -5.365 -3.604 -1.912
183 HD2 PRO 25 2HD PRO 25 -4.490 -5.356 -4.173
184 HD3 PRO 25 1HD PRO 25 -3.590 -4.090 -3.309
185 H LEU 26 H LEU 26 -5.568 -8.210 0.264
186 HA LEU 26 HA LEU 26 -6.165 -10.143 -1.757
187 HB2 LEU 26 2HB LEU 26 -4.687 -11.889 -0.931
188 HB3 LEU 26 1HB LEU 26 -3.781 -10.511 -1.492
189 HG LEU 26 HG LEU 26 -4.274 -11.163 1.422
190 HD11 LEU 26 1HD1 LEU 26 -1.861 -11.652 -0.297
191 HD12 LEU 26 2HD1 LEU 26 -2.946 -12.884 0.352
192 HD13 LEU 26 3HD1 LEU 26 -1.949 -11.916 1.442
193 HD21 LEU 26 1HD2 LEU 26 -2.358 -9.224 0.122
194 HD22 LEU 26 2HD2 LEU 26 -2.422 -9.598 1.845
195 HD23 LEU 26 3HD2 LEU 26 -3.789 -8.804 1.059
196 HA PRO 27 HA PRO 27 -7.968 -10.152 -2.190
197 HB2 PRO 27 2HB PRO 27 -10.770 -10.159 -1.486
198 HB3 PRO 27 1HB PRO 27 -9.901 -11.310 -2.500
199 HG2 PRO 27 2HG PRO 27 -10.956 -11.988 -0.089
200 HG3 PRO 27 1HG PRO 27 -9.503 -12.752 -0.756
201 HD2 PRO 27 2HD PRO 27 -9.723 -10.529 1.238
202 HD3 PRO 27 1HD PRO 27 -8.713 -11.992 1.312
203 H ILE 28 H ILE 28 -9.220 -8.702 0.756
204 HA ILE 28 HA ILE 28 -10.080 -6.325 -0.731
205 HB ILE 28 HB ILE 28 -10.745 -7.099 2.128
206 HG12 ILE 28 2HG1 ILE 28 -12.434 -7.281 -0.376
207 HG13 ILE 28 1HG1 ILE 28 -11.679 -8.653 0.426
208 HG21 ILE 28 1HG2 ILE 28 -12.449 -5.345 1.969
209 HG22 ILE 28 2HG2 ILE 28 -11.882 -4.938 0.349
210 HG23 ILE 28 3HG2 ILE 28 -10.829 -4.683 1.741
211 HD11 ILE 28 1HD1 ILE 28 -13.799 -6.858 1.564
212 HD12 ILE 28 2HD1 ILE 28 -13.043 -8.207 2.411
213 HD13 ILE 28 3HD1 ILE 28 -14.029 -8.508 0.979
214 H PHE 29 H PHE 29 -8.245 -7.243 2.152
215 HA PHE 29 HA PHE 29 -6.973 -4.602 2.119
216 HB2 PHE 29 2HB PHE 29 -7.276 -6.612 4.363
217 HB3 PHE 29 1HB PHE 29 -6.306 -5.148 4.476
218 HD1 PHE 29 1HD PHE 29 -9.700 -6.513 4.367
219 HD2 PHE 29 2HD PHE 29 -7.346 -2.986 4.644
220 HE1 PHE 29 1HE PHE 29 -11.686 -5.249 5.082
221 HE2 PHE 29 2HE PHE 29 -9.328 -1.717 5.358
222 HZ PHE 29 HZ PHE 29 -11.500 -2.851 5.573
223 H GLY 30 H GLY 30 -4.661 -4.546 2.469
224 HA2 GLY 30 2HA GLY 30 -3.226 -7.035 2.260
225 HA3 GLY 30 1HA GLY 30 -3.138 -6.015 0.835
226 H LEU 31 H LEU 31 -0.836 -6.446 1.818
227 HA LEU 31 HA LEU 31 -0.183 -4.368 3.752
228 HB2 LEU 31 2HB LEU 31 1.511 -6.561 2.559
229 HB3 LEU 31 1HB LEU 31 2.051 -5.414 3.767
230 HG LEU 31 HG LEU 31 -0.093 -7.505 4.163
231 HD11 LEU 31 1HD1 LEU 31 2.730 -7.345 5.198
232 HD12 LEU 31 2HD1 LEU 31 2.134 -8.462 3.971
233 HD13 LEU 31 3HD1 LEU 31 1.536 -8.570 5.629
234 HD21 LEU 31 1HD2 LEU 31 1.150 -5.557 6.112
235 HD22 LEU 31 2HD2 LEU 31 0.039 -6.858 6.531
236 HD23 LEU 31 3HD2 LEU 31 -0.514 -5.522 5.527
237 H CYS 32 H CYS 32 1.766 -3.113 3.270
238 HA CYS 32 HA CYS 32 1.754 -2.275 0.467
239 HB2 CYS 32 2HB CYS 32 1.020 -0.652 2.261
240 HB3 CYS 32 1HB CYS 32 2.671 -0.710 2.875
241 H VAL 33 H VAL 33 3.728 -2.087 -0.600
242 HA VAL 33 HA VAL 33 6.093 -2.916 0.855
243 HB VAL 33 HB VAL 33 5.021 -4.935 -0.139
244 HG11 VAL 33 1HG1 VAL 33 5.462 -3.612 -2.797
245 HG12 VAL 33 2HG1 VAL 33 3.912 -3.969 -2.045
246 HG13 VAL 33 3HG1 VAL 33 4.970 -5.288 -2.553
247 HG21 VAL 33 1HG2 VAL 33 6.984 -5.809 -1.352
248 HG22 VAL 33 2HG2 VAL 33 7.406 -4.971 0.139
249 HG23 VAL 33 3HG2 VAL 33 7.633 -4.168 -1.417
250 HA PRO 34 HA PRO 34 7.824 0.423 -1.648
251 HB2 PRO 34 2HB PRO 34 10.433 -0.579 -1.709
252 HB3 PRO 34 1HB PRO 34 9.795 0.483 -0.452
253 HG2 PRO 34 2HG PRO 34 10.125 -2.479 -0.447
254 HG3 PRO 34 1HG PRO 34 10.343 -1.326 0.880
255 HD2 PRO 34 2HD PRO 34 8.168 -2.880 0.707
256 HD3 PRO 34 1HD PRO 34 8.068 -1.215 1.320
257 H ASP 35 H ASP 35 7.995 0.584 -3.823
258 HA ASP 35 HA ASP 35 7.625 -1.904 -5.312
259 HB2 ASP 35 2HB ASP 35 6.219 0.285 -5.587
260 HB3 ASP 35 1HB ASP 35 7.662 0.866 -6.432
261 H VAL 36 H VAL 36 9.574 0.967 -5.102
262 HA VAL 36 HA VAL 36 11.839 -0.437 -5.856
263 HB VAL 36 HB VAL 36 11.071 0.072 -8.100
264 HG11 VAL 36 1HG1 VAL 36 9.605 1.939 -7.691
265 HG12 VAL 36 2HG1 VAL 36 10.784 2.367 -8.933
266 HG13 VAL 36 3HG1 VAL 36 10.980 2.963 -7.287
267 HG21 VAL 36 1HG2 VAL 36 13.420 0.126 -7.754
268 HG22 VAL 36 2HG2 VAL 36 13.337 1.808 -7.237
269 HG23 VAL 36 3HG2 VAL 36 12.997 1.387 -8.927