Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
654312 | 7bwi RC | 36345 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -3.258 -12.328 1.809
2 H2 GLY 1 H2 GLY 1 -3.726 -12.415 0.241
3 H3 GLY 1 H3 GLY 1 -4.851 -12.374 1.432
4 HA2 GLY 1 HA2 GLY 1 -2.999 -10.179 0.760
5 HA3 GLY 1 HA3 GLY 1 -4.718 -10.233 0.328
6 H THR 2 H THR 2 -3.070 -8.388 2.091
7 HA THR 2 HA THR 2 -4.768 -8.473 4.559
8 HB THR 2 HB THR 2 -1.786 -7.874 4.451
9 HG1 THR 2 HG1 THR 2 -1.603 -9.804 5.592
10 HG21 THR 2 HG21 THR 2 -3.719 -8.087 6.807
11 HG22 THR 2 HG22 THR 2 -1.950 -7.959 6.940
12 HG23 THR 2 HG23 THR 2 -2.874 -6.618 6.262
13 H THR 3 H THR 3 -5.674 -6.511 5.088
14 HA THR 3 HA THR 3 -5.414 -4.322 3.244
15 HB THR 3 HB THR 3 -6.920 -3.276 5.266
16 HG1 THR 3 HG1 THR 3 -6.887 -5.005 6.635
17 HG21 THR 3 HG21 THR 3 -7.616 -3.448 3.009
18 HG22 THR 3 HG22 THR 3 -7.726 -5.227 3.093
19 HG23 THR 3 HG23 THR 3 -8.860 -4.215 4.023
20 H CYS 4 H CYS 4 -5.080 -2.183 3.688
21 HA CYS 4 HA CYS 4 -3.652 -1.443 6.147
22 HB2 CYS 4 HB2 CYS 4 -1.881 -0.323 5.044
23 HB3 CYS 4 HB3 CYS 4 -1.974 -1.924 4.340
24 H TYR 5 H TYR 5 -3.647 0.962 6.535
25 HA TYR 5 HA TYR 5 -5.778 2.435 5.043
26 HB2 TYR 5 HB2 TYR 5 -5.586 2.161 8.065
27 HB3 TYR 5 HB3 TYR 5 -6.622 3.297 7.221
28 HD1 TYR 5 HD1 TYR 5 -6.078 -0.284 8.014
29 HD2 TYR 5 HD2 TYR 5 -8.695 2.609 6.167
30 HE1 TYR 5 HE1 TYR 5 -7.904 -1.977 7.954
31 HE2 TYR 5 HE2 TYR 5 -10.533 0.923 6.144
32 HH TYR 5 HH TYR 5 -10.088 -2.402 7.406
33 H CYS 6 H CYS 6 -5.225 4.460 4.511
34 HA CYS 6 HA CYS 6 -3.570 6.045 6.394
35 HB2 CYS 6 HB2 CYS 6 -2.587 5.057 3.785
36 HB3 CYS 6 HB3 CYS 6 -2.421 6.794 3.978
37 H GLY 7 H GLY 7 -4.282 8.114 6.585
38 HA2 GLY 7 HA2 GLY 7 -5.584 9.989 6.254
39 HA3 GLY 7 HA3 GLY 7 -5.214 9.802 4.536
40 H LYS 8 H LYS 8 -7.084 7.573 6.563
41 HA LYS 8 HA LYS 8 -9.013 6.482 6.260
42 HB2 LYS 8 HB2 LYS 8 -9.776 8.783 6.989
43 HB3 LYS 8 HB3 LYS 8 -10.198 9.105 5.313
44 HG2 LYS 8 HG2 LYS 8 -12.133 8.513 6.681
45 HG3 LYS 8 HG3 LYS 8 -11.919 7.363 5.372
46 HD2 LYS 8 HD2 LYS 8 -10.967 5.707 6.932
47 HD3 LYS 8 HD3 LYS 8 -11.032 6.894 8.257
48 HE2 LYS 8 HE2 LYS 8 -13.503 7.009 8.010
49 HE3 LYS 8 HE3 LYS 8 -13.431 5.844 6.683
50 HZ1 LYS 8 HZ1 LYS 8 -12.533 4.207 8.256
51 HZ2 LYS 8 HZ2 LYS 8 -12.594 5.286 9.483
52 HZ3 LYS 8 HZ3 LYS 8 -13.972 4.759 8.787
53 H THR 9 H THR 9 -7.179 6.711 3.933
54 HA THR 9 HA THR 9 -8.946 5.611 1.799
55 HB THR 9 HB THR 9 -6.054 6.534 1.530
56 HG1 THR 9 HG1 THR 9 -7.496 8.265 1.817
57 HG21 THR 9 HG21 THR 9 -8.143 5.665 -0.519
58 HG22 THR 9 HG22 THR 9 -6.550 6.359 -0.892
59 HG23 THR 9 HG23 THR 9 -6.657 4.787 -0.089
60 H ILE 10 H ILE 10 -9.145 3.532 2.101
61 HA ILE 10 HA ILE 10 -7.196 1.847 3.447
62 HB ILE 10 HB ILE 10 -9.626 1.555 3.656
63 HG12 ILE 10 HG12 ILE 10 -8.260 -0.866 2.403
64 HG13 ILE 10 HG13 ILE 10 -8.203 -0.370 4.099
65 HG21 ILE 10 HG21 ILE 10 -10.167 2.240 1.312
66 HG22 ILE 10 HG22 ILE 10 -9.597 0.652 0.759
67 HG23 ILE 10 HG23 ILE 10 -11.012 0.784 1.834
68 HD11 ILE 10 HD11 ILE 10 -9.804 -2.123 3.967
69 HD12 ILE 10 HD12 ILE 10 -10.744 -0.634 4.150
70 HD13 ILE 10 HD13 ILE 10 -10.602 -1.414 2.556
71 H GLY 11 H GLY 11 -5.914 0.234 2.545
72 HA2 GLY 11 HA2 GLY 11 -5.710 -0.035 -0.408
73 HA3 GLY 11 HA3 GLY 11 -4.291 0.448 0.513
74 H ILE 12 H ILE 12 -3.576 -1.462 -0.620
75 HA ILE 12 HA ILE 12 -3.960 -3.990 0.880
76 HB ILE 12 HB ILE 12 -3.632 -3.362 -1.903
77 HG12 ILE 12 HG12 ILE 12 -5.129 -5.023 -1.107
78 HG13 ILE 12 HG13 ILE 12 -4.009 -5.682 -2.293
79 HG21 ILE 12 HG21 ILE 12 -1.219 -4.879 -0.908
80 HG22 ILE 12 HG22 ILE 12 -1.815 -4.865 -2.564
81 HG23 ILE 12 HG23 ILE 12 -1.308 -3.336 -1.811
82 HD11 ILE 12 HD11 ILE 12 -4.308 -7.358 -0.643
83 HD12 ILE 12 HD12 ILE 12 -2.678 -6.704 -0.390
84 HD13 ILE 12 HD13 ILE 12 -4.026 -6.223 0.674
85 H TYR 13 H TYR 13 -2.274 -4.875 1.961
86 HA TYR 13 HA TYR 13 0.045 -3.088 2.543
87 HB2 TYR 13 HB2 TYR 13 -1.102 -3.914 4.501
88 HB3 TYR 13 HB3 TYR 13 -0.995 -5.569 3.924
89 HD1 TYR 13 HD1 TYR 13 1.338 -2.667 4.585
90 HD2 TYR 13 HD2 TYR 13 0.650 -6.921 4.849
91 HE1 TYR 13 HE1 TYR 13 3.591 -2.977 5.615
92 HE2 TYR 13 HE2 TYR 13 2.879 -7.217 5.896
93 HH TYR 13 HH TYR 13 4.796 -6.193 6.611
94 H TRP 14 H TRP 14 1.993 -3.399 1.756
95 HA TRP 14 HA TRP 14 2.737 -6.034 0.541
96 HB2 TRP 14 HB2 TRP 14 3.571 -3.210 -0.092
97 HB3 TRP 14 HB3 TRP 14 4.534 -4.593 -0.565
98 HD1 TRP 14 HD1 TRP 14 1.270 -2.858 -1.394
99 HE1 TRP 14 HE1 TRP 14 0.230 -3.894 -3.517
100 HE3 TRP 14 HE3 TRP 14 4.510 -6.770 -2.067
101 HZ2 TRP 14 HZ2 TRP 14 0.707 -6.141 -5.219
102 HZ3 TRP 14 HZ3 TRP 14 4.193 -8.345 -3.965
103 HH2 TRP 14 HH2 TRP 14 2.294 -8.051 -5.541
104 H PHE 15 H PHE 15 3.956 -7.247 1.702
105 HA PHE 15 HA PHE 15 5.515 -6.292 4.002
106 HB2 PHE 15 HB2 PHE 15 4.129 -8.323 4.139
107 HB3 PHE 15 HB3 PHE 15 5.035 -9.055 2.825
108 HD1 PHE 15 HD1 PHE 15 7.321 -9.919 3.165
109 HD2 PHE 15 HD2 PHE 15 5.109 -8.120 6.401
110 HE1 PHE 15 HE1 PHE 15 8.996 -10.767 4.790
111 HE2 PHE 15 HE2 PHE 15 6.796 -8.938 8.013
112 HZ PHE 15 HZ PHE 15 8.745 -10.270 7.216
113 H GLY 16 H GLY 16 7.715 -6.250 4.183
114 HA2 GLY 16 HA2 GLY 16 9.945 -6.531 3.709
115 HA3 GLY 16 HA3 GLY 16 9.485 -7.799 2.572
116 H THR 17 H THR 17 8.215 -4.618 1.962
117 HA THR 17 HA THR 17 10.415 -3.806 0.190
118 HB THR 17 HB THR 17 8.703 -5.014 -1.240
119 HG1 THR 17 HG1 THR 17 8.733 -3.349 -2.755
120 HG21 THR 17 HG21 THR 17 6.625 -4.120 -1.743
121 HG22 THR 17 HG22 THR 17 6.681 -4.135 0.033
122 HG23 THR 17 HG23 THR 17 6.939 -2.621 -0.867
123 H LYS 18 H LYS 18 9.931 -1.568 -0.572
124 HA LYS 18 HA LYS 18 8.599 0.143 1.481
125 HB2 LYS 18 HB2 LYS 18 11.109 -0.253 1.878
126 HB3 LYS 18 HB3 LYS 18 11.403 0.671 0.416
127 HG2 LYS 18 HG2 LYS 18 11.669 2.036 2.425
128 HG3 LYS 18 HG3 LYS 18 10.394 2.645 1.380
129 HD2 LYS 18 HD2 LYS 18 9.827 2.792 3.794
130 HD3 LYS 18 HD3 LYS 18 8.662 1.819 2.901
131 HE2 LYS 18 HE2 LYS 18 9.802 -0.262 3.692
132 HE3 LYS 18 HE3 LYS 18 10.980 0.729 4.564
133 HZ1 LYS 18 HZ1 LYS 18 8.058 0.580 5.129
134 HZ2 LYS 18 HZ2 LYS 18 9.260 0.008 6.069
135 HZ3 LYS 18 HZ3 LYS 18 9.090 1.618 5.881
136 H THR 19 H THR 19 8.899 -0.536 -1.672
137 HA THR 19 HA THR 19 7.516 1.985 -2.475
138 HB THR 19 HB THR 19 9.831 1.842 -3.461
139 HG1 THR 19 HG1 THR 19 9.058 2.543 -5.439
140 HG21 THR 19 HG21 THR 19 10.190 0.405 -5.399
141 HG22 THR 19 HG22 THR 19 9.840 -0.614 -3.993
142 HG23 THR 19 HG23 THR 19 8.581 -0.328 -5.215
143 H CYS 20 H CYS 20 5.999 1.693 -4.300
144 HA CYS 20 HA CYS 20 4.558 -0.872 -3.982
145 HB2 CYS 20 HB2 CYS 20 3.654 1.775 -5.139
146 HB3 CYS 20 HB3 CYS 20 2.654 0.326 -5.043
147 HA PRO 21 HA PRO 21 5.873 -2.170 -8.076
148 HB2 PRO 21 HB2 PRO 21 3.966 -4.150 -8.531
149 HB3 PRO 21 HB3 PRO 21 5.427 -4.345 -7.509
150 HG2 PRO 21 HG2 PRO 21 2.606 -3.706 -6.658
151 HG3 PRO 21 HG3 PRO 21 3.750 -4.847 -5.898
152 HD2 PRO 21 HD2 PRO 21 3.293 -2.369 -4.923
153 HD3 PRO 21 HD3 PRO 21 4.914 -3.123 -4.832
154 H SER 22 H SER 22 5.613 -1.085 -9.830
155 HA SER 22 HA SER 22 3.598 0.789 -10.203
156 HB2 SER 22 HB2 SER 22 5.504 -0.281 -12.317
157 HB3 SER 22 HB3 SER 22 4.741 1.317 -12.257
158 HG SER 22 HG SER 22 6.897 1.373 -11.482
159 H ASN 23 H ASN 23 3.774 -2.434 -11.671
160 HA ASN 23 HA ASN 23 1.802 -1.858 -13.738
161 HB2 ASN 23 HB2 ASN 23 3.058 -4.463 -12.780
162 HB3 ASN 23 HB3 ASN 23 2.041 -4.306 -14.207
163 HD21 ASN 23 HD21 ASN 23 5.233 -4.489 -13.338
164 HD22 ASN 23 HD22 ASN 23 5.906 -3.601 -14.696
165 H ARG 24 H ARG 24 1.369 -2.388 -10.463
166 HA ARG 24 HA ARG 24 -1.045 -4.075 -10.585
167 HB2 ARG 24 HB2 ARG 24 0.551 -2.803 -8.371
168 HB3 ARG 24 HB3 ARG 24 -0.909 -3.745 -8.087
169 HG2 ARG 24 HG2 ARG 24 0.965 -5.154 -9.916
170 HG3 ARG 24 HG3 ARG 24 1.709 -4.745 -8.384
171 HD2 ARG 24 HD2 ARG 24 0.764 -6.921 -8.233
172 HD3 ARG 24 HD3 ARG 24 -0.111 -5.820 -7.170
173 HE ARG 24 HE ARG 24 -1.107 -6.921 -9.775
174 HH11 ARG 24 HH11 ARG 24 -1.974 -5.401 -6.678
175 HH12 ARG 24 HH12 ARG 24 -3.656 -5.888 -6.925
176 HH21 ARG 24 HH21 ARG 24 -3.328 -7.375 -9.877
177 HH22 ARG 24 HH22 ARG 24 -4.326 -6.883 -8.507
178 H GLY 25 H GLY 25 -0.579 -0.750 -10.964
179 HA2 GLY 25 HA2 GLY 25 -2.231 0.762 -11.566
180 HA3 GLY 25 HA3 GLY 25 -3.477 -0.353 -11.008
181 H TYR 26 H TYR 26 -0.947 0.488 -8.726
182 HA TYR 26 HA TYR 26 -2.832 1.687 -6.919
183 HB2 TYR 26 HB2 TYR 26 0.202 1.590 -6.834
184 HB3 TYR 26 HB3 TYR 26 -0.832 2.099 -5.498
185 HD1 TYR 26 HD1 TYR 26 1.083 -0.608 -6.543
186 HD2 TYR 26 HD2 TYR 26 -2.905 0.288 -5.117
187 HE1 TYR 26 HE1 TYR 26 0.755 -2.975 -5.874
188 HE2 TYR 26 HE2 TYR 26 -3.209 -2.079 -4.477
189 HH TYR 26 HH TYR 26 -2.320 -4.195 -4.572
190 H THR 27 H THR 27 -3.253 3.745 -6.385
191 HA THR 27 HA THR 27 -2.269 5.889 -8.216
192 HB THR 27 HB THR 27 -4.736 5.301 -8.001
193 HG1 THR 27 HG1 THR 27 -4.131 7.192 -8.954
194 HG21 THR 27 HG21 THR 27 -6.024 6.260 -6.216
195 HG22 THR 27 HG22 THR 27 -4.811 5.203 -5.477
196 HG23 THR 27 HG23 THR 27 -4.586 6.962 -5.450
197 H GLY 28 H GLY 28 -1.892 4.800 -4.985
198 HA2 GLY 28 HA2 GLY 28 0.038 6.830 -4.384
199 HA3 GLY 28 HA3 GLY 28 -1.448 7.129 -3.486
200 H SER 29 H SER 29 0.616 6.746 -1.953
201 HA SER 29 HA SER 29 0.332 4.096 -0.710
202 HB2 SER 29 HB2 SER 29 2.673 3.537 -0.928
203 HB3 SER 29 HB3 SER 29 1.970 3.790 -2.537
204 HG SER 29 HG SER 29 3.996 4.831 -2.361
205 H CYS 30 H CYS 30 1.641 3.847 1.251
206 HA CYS 30 HA CYS 30 3.029 6.153 2.322
207 HB2 CYS 30 HB2 CYS 30 1.752 6.480 4.317
208 HB3 CYS 30 HB3 CYS 30 0.614 6.567 2.971
209 H GLY 31 H GLY 31 4.588 5.608 3.879
210 HA2 GLY 31 HA2 GLY 31 5.431 2.876 4.005
211 HA3 GLY 31 HA3 GLY 31 6.030 4.179 5.029
212 H TYR 32 H TYR 32 5.073 1.265 5.526
213 HA TYR 32 HA TYR 32 3.024 1.803 7.640
214 HB2 TYR 32 HB2 TYR 32 2.361 0.816 5.276
215 HB3 TYR 32 HB3 TYR 32 2.988 -0.682 5.935
216 HD1 TYR 32 HD1 TYR 32 1.462 -2.034 7.233
217 HD2 TYR 32 HD2 TYR 32 0.636 2.159 6.610
218 HE1 TYR 32 HE1 TYR 32 -0.823 -2.343 8.164
219 HE2 TYR 32 HE2 TYR 32 -1.639 1.848 7.568
220 HH TYR 32 HH TYR 32 -2.817 -1.331 8.713
221 H PHE 33 H PHE 33 2.769 -0.168 9.124
222 HA PHE 33 HA PHE 33 5.209 -0.693 10.476
223 HB2 PHE 33 HB2 PHE 33 2.950 -0.850 11.469
224 HB3 PHE 33 HB3 PHE 33 2.628 -2.271 10.466
225 HD1 PHE 33 HD1 PHE 33 5.299 -1.094 12.881
226 HD2 PHE 33 HD2 PHE 33 2.743 -4.321 11.582
227 HE1 PHE 33 HE1 PHE 33 6.218 -2.548 14.672
228 HE2 PHE 33 HE2 PHE 33 3.651 -5.762 13.388
229 HZ PHE 33 HZ PHE 33 5.395 -4.882 14.929
230 H LEU 34 H LEU 34 6.826 -1.983 10.022
231 HA LEU 34 HA LEU 34 8.209 -3.439 9.114
232 HB2 LEU 34 HB2 LEU 34 5.872 -5.339 8.889
233 HB3 LEU 34 HB3 LEU 34 7.573 -5.775 8.912
234 HG LEU 34 HG LEU 34 6.068 -4.500 11.236
235 HD11 LEU 34 HD11 LEU 34 6.994 -7.351 10.758
236 HD12 LEU 34 HD12 LEU 34 6.216 -6.729 12.237
237 HD13 LEU 34 HD13 LEU 34 5.317 -6.758 10.708
238 HD21 LEU 34 HD21 LEU 34 8.456 -3.942 11.344
239 HD22 LEU 34 HD22 LEU 34 8.043 -5.138 12.575
240 HD23 LEU 34 HD23 LEU 34 8.886 -5.651 11.094
241 H GLY 35 H GLY 35 6.069 -2.038 7.111
242 HA2 GLY 35 HA2 GLY 35 7.567 -2.702 4.670
243 HA3 GLY 35 HA3 GLY 35 5.978 -3.448 4.737
244 H ILE 36 H ILE 36 4.755 -2.381 3.309
245 HA ILE 36 HA ILE 36 4.328 0.536 3.606
246 HB ILE 36 HB ILE 36 6.042 0.625 2.054
247 HG12 ILE 36 HG12 ILE 36 3.580 0.583 0.273
248 HG13 ILE 36 HG13 ILE 36 3.891 1.841 1.447
249 HG21 ILE 36 HG21 ILE 36 4.751 -1.465 0.273
250 HG22 ILE 36 HG22 ILE 36 6.324 -0.685 0.064
251 HG23 ILE 36 HG23 ILE 36 6.086 -1.825 1.380
252 HD11 ILE 36 HD11 ILE 36 4.615 2.620 -0.703
253 HD12 ILE 36 HD12 ILE 36 6.036 2.377 0.312
254 HD13 ILE 36 HD13 ILE 36 5.609 1.177 -0.951
255 H CYS 37 H CYS 37 2.426 1.309 2.890
256 HA CYS 37 HA CYS 37 0.231 -0.607 2.251
257 HB2 CYS 37 HB2 CYS 37 -0.014 0.760 4.249
258 HB3 CYS 37 HB3 CYS 37 0.412 2.207 3.356
259 H CYS 38 H CYS 38 -0.579 -0.552 0.198
260 HA CYS 38 HA CYS 38 -0.007 1.760 -1.625
261 HB2 CYS 38 HB2 CYS 38 -0.079 -1.186 -2.303
262 HB3 CYS 38 HB3 CYS 38 0.223 0.119 -3.435
263 H TYR 39 H TYR 39 -1.835 2.525 -2.681
264 HA TYR 39 HA TYR 39 -4.370 1.016 -2.319
265 HB2 TYR 39 HB2 TYR 39 -5.488 3.126 -1.604
266 HB3 TYR 39 HB3 TYR 39 -4.397 2.395 -0.464
267 HD1 TYR 39 HD1 TYR 39 -2.642 3.597 0.532
268 HD2 TYR 39 HD2 TYR 39 -4.735 5.221 -2.877
269 HE1 TYR 39 HE1 TYR 39 -1.616 5.823 0.965
270 HE2 TYR 39 HE2 TYR 39 -3.719 7.454 -2.428
271 HH TYR 39 HH TYR 39 -1.440 8.010 0.278
272 HA PRO 40 HA PRO 40 -6.812 1.802 -2.711
273 HB2 PRO 40 HB2 PRO 40 -8.567 0.667 -4.441
274 HB3 PRO 40 HB3 PRO 40 -8.346 2.438 -4.311
275 HG2 PRO 40 HG2 PRO 40 -7.039 0.548 -6.308
276 HG3 PRO 40 HG3 PRO 40 -7.948 2.058 -6.653
277 HD2 PRO 40 HD2 PRO 40 -5.242 2.058 -6.483
278 HD3 PRO 40 HD3 PRO 40 -6.203 3.411 -5.818
279 H VAL 41 H VAL 41 -7.774 -0.210 -2.008
280 HA VAL 41 HA VAL 41 -6.011 -2.435 -1.847
281 HB VAL 41 HB VAL 41 -7.664 -1.725 -0.139
282 HG11 VAL 41 HG11 VAL 41 -9.792 -3.043 -1.856
283 HG12 VAL 41 HG12 VAL 41 -9.988 -2.349 -0.236
284 HG13 VAL 41 HG13 VAL 41 -9.625 -1.291 -1.605
285 HG21 VAL 41 HG21 VAL 41 -7.943 -4.623 -1.000
286 HG22 VAL 41 HG22 VAL 41 -6.685 -3.927 0.057
287 HG23 VAL 41 HG23 VAL 41 -8.364 -3.956 0.587
288 H ASP 42 H ASP 42 -5.981 -4.433 -2.835
289 HA ASP 42 HA ASP 42 -6.881 -4.599 -5.549
290 HB2 ASP 42 HB2 ASP 42 -4.802 -5.612 -4.670
291 HB3 ASP 42 HB3 ASP 42 -5.758 -6.775 -3.752
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -5.756 -13.378 3.715
2 H2 GLY 1 H2 GLY 1 -4.369 -13.266 2.853
3 H3 GLY 1 H3 GLY 1 -5.755 -13.737 2.115
4 HA2 GLY 1 HA2 GLY 1 -5.249 -11.456 1.536
5 HA3 GLY 1 HA3 GLY 1 -6.762 -11.586 2.450
6 H THR 2 H THR 2 -5.091 -9.243 2.224
7 HA THR 2 HA THR 2 -4.808 -8.585 5.059
8 HB THR 2 HB THR 2 -2.593 -9.540 4.484
9 HG1 THR 2 HG1 THR 2 -1.554 -7.989 5.550
10 HG21 THR 2 HG21 THR 2 -2.270 -7.117 2.661
11 HG22 THR 2 HG22 THR 2 -1.013 -8.286 3.108
12 HG23 THR 2 HG23 THR 2 -2.386 -8.805 2.118
13 H THR 3 H THR 3 -4.270 -6.192 5.325
14 HA THR 3 HA THR 3 -5.258 -4.429 3.178
15 HB THR 3 HB THR 3 -6.801 -3.703 5.408
16 HG1 THR 3 HG1 THR 3 -6.668 -5.703 6.352
17 HG21 THR 3 HG21 THR 3 -7.503 -3.466 3.091
18 HG22 THR 3 HG22 THR 3 -7.590 -5.233 2.898
19 HG23 THR 3 HG23 THR 3 -8.723 -4.397 3.983
20 H CYS 4 H CYS 4 -5.122 -2.169 3.698
21 HA CYS 4 HA CYS 4 -3.689 -1.398 6.161
22 HB2 CYS 4 HB2 CYS 4 -1.928 -0.302 5.055
23 HB3 CYS 4 HB3 CYS 4 -2.005 -1.904 4.356
24 H TYR 5 H TYR 5 -3.742 0.990 6.548
25 HA TYR 5 HA TYR 5 -5.877 2.421 5.016
26 HB2 TYR 5 HB2 TYR 5 -5.700 2.169 8.039
27 HB3 TYR 5 HB3 TYR 5 -6.754 3.279 7.180
28 HD1 TYR 5 HD1 TYR 5 -6.154 -0.283 8.014
29 HD2 TYR 5 HD2 TYR 5 -8.792 2.540 6.089
30 HE1 TYR 5 HE1 TYR 5 -7.955 -2.008 7.942
31 HE2 TYR 5 HE2 TYR 5 -10.597 0.828 6.052
32 HH TYR 5 HH TYR 5 -11.206 -1.317 6.605
33 H CYS 6 H CYS 6 -5.387 4.438 4.477
34 HA CYS 6 HA CYS 6 -3.716 6.115 6.256
35 HB2 CYS 6 HB2 CYS 6 -2.744 4.980 3.694
36 HB3 CYS 6 HB3 CYS 6 -2.554 6.720 3.810
37 H GLY 7 H GLY 7 -4.406 8.201 6.305
38 HA2 GLY 7 HA2 GLY 7 -5.560 10.125 5.770
39 HA3 GLY 7 HA3 GLY 7 -5.068 9.784 4.108
40 H LYS 8 H LYS 8 -7.356 8.036 6.219
41 HA LYS 8 HA LYS 8 -9.440 7.214 5.905
42 HB2 LYS 8 HB2 LYS 8 -9.773 9.780 6.031
43 HB3 LYS 8 HB3 LYS 8 -10.181 9.670 4.317
44 HG2 LYS 8 HG2 LYS 8 -12.039 8.107 4.877
45 HG3 LYS 8 HG3 LYS 8 -11.563 8.149 6.584
46 HD2 LYS 8 HD2 LYS 8 -11.996 10.589 6.650
47 HD3 LYS 8 HD3 LYS 8 -12.488 10.564 4.953
48 HE2 LYS 8 HE2 LYS 8 -13.847 8.980 7.187
49 HE3 LYS 8 HE3 LYS 8 -14.369 10.573 6.645
50 HZ1 LYS 8 HZ1 LYS 8 -14.753 9.639 4.426
51 HZ2 LYS 8 HZ2 LYS 8 -14.297 8.151 4.924
52 HZ3 LYS 8 HZ3 LYS 8 -15.637 8.845 5.543
53 H THR 9 H THR 9 -7.397 6.646 3.849
54 HA THR 9 HA THR 9 -9.146 5.509 1.711
55 HB THR 9 HB THR 9 -6.229 6.339 1.383
56 HG1 THR 9 HG1 THR 9 -7.557 8.154 1.547
57 HG21 THR 9 HG21 THR 9 -6.740 6.036 -1.026
58 HG22 THR 9 HG22 THR 9 -6.908 4.523 -0.127
59 HG23 THR 9 HG23 THR 9 -8.360 5.431 -0.611
60 H ILE 10 H ILE 10 -9.233 3.390 1.842
61 HA ILE 10 HA ILE 10 -7.291 1.792 3.369
62 HB ILE 10 HB ILE 10 -9.686 1.403 3.602
63 HG12 ILE 10 HG12 ILE 10 -8.257 -0.958 2.306
64 HG13 ILE 10 HG13 ILE 10 -8.203 -0.479 4.007
65 HG21 ILE 10 HG21 ILE 10 -11.072 0.576 1.792
66 HG22 ILE 10 HG22 ILE 10 -10.331 2.096 1.310
67 HG23 ILE 10 HG23 ILE 10 -9.675 0.568 0.686
68 HD11 ILE 10 HD11 ILE 10 -10.730 -0.843 4.077
69 HD12 ILE 10 HD12 ILE 10 -10.571 -1.602 2.475
70 HD13 ILE 10 HD13 ILE 10 -9.730 -2.291 3.871
71 H GLY 11 H GLY 11 -5.918 0.273 2.532
72 HA2 GLY 11 HA2 GLY 11 -5.625 -0.022 -0.419
73 HA3 GLY 11 HA3 GLY 11 -4.253 0.447 0.567
74 H ILE 12 H ILE 12 -3.515 -1.463 -0.569
75 HA ILE 12 HA ILE 12 -3.946 -3.979 0.935
76 HB ILE 12 HB ILE 12 -3.640 -3.395 -1.842
77 HG12 ILE 12 HG12 ILE 12 -5.088 -5.064 -0.919
78 HG13 ILE 12 HG13 ILE 12 -4.051 -5.705 -2.186
79 HG21 ILE 12 HG21 ILE 12 -1.183 -4.859 -0.864
80 HG22 ILE 12 HG22 ILE 12 -1.808 -4.870 -2.513
81 HG23 ILE 12 HG23 ILE 12 -1.310 -3.328 -1.777
82 HD11 ILE 12 HD11 ILE 12 -2.600 -6.835 -0.585
83 HD12 ILE 12 HD12 ILE 12 -3.515 -6.156 0.775
84 HD13 ILE 12 HD13 ILE 12 -4.286 -7.314 -0.325
85 H TYR 13 H TYR 13 -2.235 -4.906 2.014
86 HA TYR 13 HA TYR 13 0.075 -3.117 2.602
87 HB2 TYR 13 HB2 TYR 13 -1.063 -3.866 4.566
88 HB3 TYR 13 HB3 TYR 13 -1.045 -5.534 4.021
89 HD1 TYR 13 HD1 TYR 13 1.353 -2.715 4.787
90 HD2 TYR 13 HD2 TYR 13 0.625 -6.970 4.794
91 HE1 TYR 13 HE1 TYR 13 3.569 -3.101 5.877
92 HE2 TYR 13 HE2 TYR 13 2.820 -7.347 5.892
93 HH TYR 13 HH TYR 13 4.677 -6.394 6.761
94 H TRP 14 H TRP 14 2.013 -3.452 1.856
95 HA TRP 14 HA TRP 14 2.834 -6.115 0.748
96 HB2 TRP 14 HB2 TRP 14 3.504 -3.280 -0.059
97 HB3 TRP 14 HB3 TRP 14 4.492 -4.653 -0.532
98 HD1 TRP 14 HD1 TRP 14 1.275 -2.898 -1.351
99 HE1 TRP 14 HE1 TRP 14 0.216 -3.926 -3.473
100 HE3 TRP 14 HE3 TRP 14 4.360 -6.948 -1.929
101 HZ2 TRP 14 HZ2 TRP 14 0.660 -6.184 -5.176
102 HZ3 TRP 14 HZ3 TRP 14 4.027 -8.515 -3.829
103 HH2 TRP 14 HH2 TRP 14 2.182 -8.152 -5.453
104 H PHE 15 H PHE 15 4.551 -7.093 1.653
105 HA PHE 15 HA PHE 15 5.904 -5.789 3.958
106 HB2 PHE 15 HB2 PHE 15 4.815 -7.848 4.475
107 HB3 PHE 15 HB3 PHE 15 5.507 -8.654 3.077
108 HD1 PHE 15 HD1 PHE 15 7.228 -10.166 3.492
109 HD2 PHE 15 HD2 PHE 15 6.782 -6.770 6.114
110 HE1 PHE 15 HE1 PHE 15 9.133 -10.968 4.865
111 HE2 PHE 15 HE2 PHE 15 8.686 -7.570 7.476
112 HZ PHE 15 HZ PHE 15 9.867 -9.673 6.860
113 H GLY 16 H GLY 16 8.064 -5.506 4.125
114 HA2 GLY 16 HA2 GLY 16 10.298 -5.484 3.738
115 HA3 GLY 16 HA3 GLY 16 10.061 -6.925 2.759
116 H THR 17 H THR 17 8.368 -5.274 0.831
117 HA THR 17 HA THR 17 10.436 -4.776 -1.051
118 HB THR 17 HB THR 17 8.232 -5.677 -1.584
119 HG1 THR 17 HG1 THR 17 7.912 -4.476 -3.457
120 HG21 THR 17 HG21 THR 17 6.746 -4.366 -0.179
121 HG22 THR 17 HG22 THR 17 7.169 -2.877 -1.038
122 HG23 THR 17 HG23 THR 17 6.288 -4.162 -1.878
123 H LYS 18 H LYS 18 8.913 -2.556 1.116
124 HA LYS 18 HA LYS 18 9.082 -0.361 1.587
125 HB2 LYS 18 HB2 LYS 18 11.498 -1.131 1.551
126 HB3 LYS 18 HB3 LYS 18 11.651 -0.333 -0.017
127 HG2 LYS 18 HG2 LYS 18 11.101 1.845 1.021
128 HG3 LYS 18 HG3 LYS 18 10.774 1.045 2.560
129 HD2 LYS 18 HD2 LYS 18 12.962 2.079 2.661
130 HD3 LYS 18 HD3 LYS 18 13.127 0.329 2.718
131 HE2 LYS 18 HE2 LYS 18 14.867 1.161 1.312
132 HE3 LYS 18 HE3 LYS 18 13.716 0.324 0.274
133 HZ1 LYS 18 HZ1 LYS 18 14.400 2.465 -0.665
134 HZ2 LYS 18 HZ2 LYS 18 12.803 2.518 -0.341
135 HZ3 LYS 18 HZ3 LYS 18 13.866 3.275 0.643
136 H THR 19 H THR 19 9.018 -1.026 -1.807
137 HA THR 19 HA THR 19 7.662 1.604 -2.270
138 HB THR 19 HB THR 19 9.926 1.414 -3.360
139 HG1 THR 19 HG1 THR 19 9.126 2.328 -5.238
140 HG21 THR 19 HG21 THR 19 10.135 0.136 -5.422
141 HG22 THR 19 HG22 THR 19 9.763 -0.983 -4.100
142 HG23 THR 19 HG23 THR 19 8.489 -0.513 -5.247
143 H CYS 20 H CYS 20 6.079 1.551 -4.103
144 HA CYS 20 HA CYS 20 4.484 -0.933 -3.926
145 HB2 CYS 20 HB2 CYS 20 3.766 1.809 -4.983
146 HB3 CYS 20 HB3 CYS 20 2.680 0.418 -4.980
147 HA PRO 21 HA PRO 21 5.801 -2.128 -8.042
148 HB2 PRO 21 HB2 PRO 21 3.917 -4.084 -8.574
149 HB3 PRO 21 HB3 PRO 21 5.331 -4.298 -7.495
150 HG2 PRO 21 HG2 PRO 21 2.484 -3.647 -6.748
151 HG3 PRO 21 HG3 PRO 21 3.582 -4.818 -5.966
152 HD2 PRO 21 HD2 PRO 21 3.125 -2.335 -4.971
153 HD3 PRO 21 HD3 PRO 21 4.717 -3.138 -4.822
154 H SER 22 H SER 22 5.495 -0.887 -9.782
155 HA SER 22 HA SER 22 3.353 0.934 -9.985
156 HB2 SER 22 HB2 SER 22 5.685 1.245 -10.802
157 HB3 SER 22 HB3 SER 22 5.337 0.148 -12.152
158 HG SER 22 HG SER 22 5.076 2.380 -12.696
159 H ASN 23 H ASN 23 3.800 -2.127 -11.734
160 HA ASN 23 HA ASN 23 1.748 -1.651 -13.700
161 HB2 ASN 23 HB2 ASN 23 3.121 -4.219 -12.791
162 HB3 ASN 23 HB3 ASN 23 2.096 -4.078 -14.214
163 HD21 ASN 23 HD21 ASN 23 5.309 -4.045 -13.284
164 HD22 ASN 23 HD22 ASN 23 5.932 -3.141 -14.655
165 H ARG 24 H ARG 24 1.325 -2.256 -10.435
166 HA ARG 24 HA ARG 24 -1.066 -3.987 -10.611
167 HB2 ARG 24 HB2 ARG 24 0.509 -2.792 -8.345
168 HB3 ARG 24 HB3 ARG 24 -0.960 -3.728 -8.113
169 HG2 ARG 24 HG2 ARG 24 0.857 -5.126 -9.982
170 HG3 ARG 24 HG3 ARG 24 1.682 -4.724 -8.494
171 HD2 ARG 24 HD2 ARG 24 0.731 -6.883 -8.272
172 HD3 ARG 24 HD3 ARG 24 -0.121 -5.771 -7.196
173 HE ARG 24 HE ARG 24 -1.168 -6.893 -9.775
174 HH11 ARG 24 HH11 ARG 24 -1.987 -5.384 -6.657
175 HH12 ARG 24 HH12 ARG 24 -3.673 -5.867 -6.883
176 HH21 ARG 24 HH21 ARG 24 -3.391 -7.342 -9.845
177 HH22 ARG 24 HH22 ARG 24 -4.366 -6.855 -8.457
178 H GLY 25 H GLY 25 -0.604 -0.651 -10.910
179 HA2 GLY 25 HA2 GLY 25 -2.258 0.850 -11.521
180 HA3 GLY 25 HA3 GLY 25 -3.503 -0.277 -10.990
181 H TYR 26 H TYR 26 -1.013 0.563 -8.670
182 HA TYR 26 HA TYR 26 -2.921 1.744 -6.873
183 HB2 TYR 26 HB2 TYR 26 0.114 1.669 -6.764
184 HB3 TYR 26 HB3 TYR 26 -0.935 2.157 -5.434
185 HD1 TYR 26 HD1 TYR 26 0.990 -0.521 -6.544
186 HD2 TYR 26 HD2 TYR 26 -2.973 0.325 -5.038
187 HE1 TYR 26 HE1 TYR 26 0.704 -2.898 -5.872
188 HE2 TYR 26 HE2 TYR 26 -3.236 -2.047 -4.389
189 HH TYR 26 HH TYR 26 -2.324 -4.155 -4.503
190 H THR 27 H THR 27 -3.333 3.823 -6.304
191 HA THR 27 HA THR 27 -2.336 5.985 -8.104
192 HB THR 27 HB THR 27 -4.274 7.263 -7.318
193 HG1 THR 27 HG1 THR 27 -5.807 6.255 -6.041
194 HG21 THR 27 HG21 THR 27 -5.107 4.483 -8.262
195 HG22 THR 27 HG22 THR 27 -6.027 5.993 -8.428
196 HG23 THR 27 HG23 THR 27 -4.507 5.785 -9.313
197 H GLY 28 H GLY 28 -1.959 4.836 -4.881
198 HA2 GLY 28 HA2 GLY 28 0.032 6.833 -4.318
199 HA3 GLY 28 HA3 GLY 28 -1.418 7.128 -3.366
200 H SER 29 H SER 29 0.662 6.721 -1.888
201 HA SER 29 HA SER 29 0.413 4.050 -0.685
202 HB2 SER 29 HB2 SER 29 2.765 3.526 -0.908
203 HB3 SER 29 HB3 SER 29 2.044 3.776 -2.512
204 HG SER 29 HG SER 29 4.062 4.841 -2.342
205 H CYS 30 H CYS 30 1.692 3.785 1.285
206 HA CYS 30 HA CYS 30 3.063 6.073 2.398
207 HB2 CYS 30 HB2 CYS 30 1.721 6.394 4.378
208 HB3 CYS 30 HB3 CYS 30 0.661 6.564 2.977
209 H GLY 31 H GLY 31 4.550 5.525 4.028
210 HA2 GLY 31 HA2 GLY 31 5.388 2.798 4.182
211 HA3 GLY 31 HA3 GLY 31 5.941 4.102 5.234
212 H TYR 32 H TYR 32 4.994 1.172 5.663
213 HA TYR 32 HA TYR 32 2.942 1.669 7.785
214 HB2 TYR 32 HB2 TYR 32 2.449 0.471 5.387
215 HB3 TYR 32 HB3 TYR 32 2.962 -0.925 6.308
216 HD1 TYR 32 HD1 TYR 32 1.226 -2.085 7.481
217 HD2 TYR 32 HD2 TYR 32 0.739 2.102 6.534
218 HE1 TYR 32 HE1 TYR 32 -1.123 -2.168 8.298
219 HE2 TYR 32 HE2 TYR 32 -1.603 2.013 7.359
220 HH TYR 32 HH TYR 32 -3.052 -0.983 8.681
221 H PHE 33 H PHE 33 2.802 -0.348 9.311
222 HA PHE 33 HA PHE 33 5.348 -0.674 10.581
223 HB2 PHE 33 HB2 PHE 33 3.151 -0.875 11.715
224 HB3 PHE 33 HB3 PHE 33 2.865 -2.380 10.831
225 HD1 PHE 33 HD1 PHE 33 5.614 -0.863 12.951
226 HD2 PHE 33 HD2 PHE 33 3.195 -4.332 12.085
227 HE1 PHE 33 HE1 PHE 33 6.772 -2.123 14.749
228 HE2 PHE 33 HE2 PHE 33 4.344 -5.579 13.900
229 HZ PHE 33 HZ PHE 33 6.139 -4.480 15.227
230 H LEU 34 H LEU 34 6.982 -1.945 10.116
231 HA LEU 34 HA LEU 34 8.371 -3.369 9.155
232 HB2 LEU 34 HB2 LEU 34 6.091 -5.351 9.094
233 HB3 LEU 34 HB3 LEU 34 7.807 -5.729 9.032
234 HG LEU 34 HG LEU 34 6.395 -4.451 11.413
235 HD11 LEU 34 HD11 LEU 34 7.374 -7.285 10.940
236 HD12 LEU 34 HD12 LEU 34 6.665 -6.652 12.450
237 HD13 LEU 34 HD13 LEU 34 5.679 -6.741 10.977
238 HD21 LEU 34 HD21 LEU 34 9.230 -5.531 11.130
239 HD22 LEU 34 HD22 LEU 34 8.769 -3.828 11.371
240 HD23 LEU 34 HD23 LEU 34 8.461 -5.009 12.647
241 H GLY 35 H GLY 35 6.090 -2.069 7.265
242 HA2 GLY 35 HA2 GLY 35 7.437 -2.788 4.748
243 HA3 GLY 35 HA3 GLY 35 5.834 -3.490 4.930
244 H ILE 36 H ILE 36 4.686 -2.414 3.432
245 HA ILE 36 HA ILE 36 4.294 0.506 3.681
246 HB ILE 36 HB ILE 36 6.059 0.554 2.178
247 HG12 ILE 36 HG12 ILE 36 3.634 0.518 0.347
248 HG13 ILE 36 HG13 ILE 36 3.936 1.778 1.518
249 HG21 ILE 36 HG21 ILE 36 6.222 -1.850 1.546
250 HG22 ILE 36 HG22 ILE 36 4.787 -1.648 0.516
251 HG23 ILE 36 HG23 ILE 36 6.291 -0.802 0.134
252 HD11 ILE 36 HD11 ILE 36 6.147 2.232 0.398
253 HD12 ILE 36 HD12 ILE 36 5.629 1.095 -0.887
254 HD13 ILE 36 HD13 ILE 36 4.715 2.580 -0.575
255 H CYS 37 H CYS 37 2.406 1.272 2.959
256 HA CYS 37 HA CYS 37 0.215 -0.632 2.284
257 HB2 CYS 37 HB2 CYS 37 -0.047 0.739 4.273
258 HB3 CYS 37 HB3 CYS 37 0.404 2.180 3.385
259 H CYS 38 H CYS 38 -0.554 -0.586 0.222
260 HA CYS 38 HA CYS 38 0.044 1.726 -1.595
261 HB2 CYS 38 HB2 CYS 38 -0.069 -1.219 -2.283
262 HB3 CYS 38 HB3 CYS 38 0.257 0.085 -3.407
263 H TYR 39 H TYR 39 -1.784 2.539 -2.592
264 HA TYR 39 HA TYR 39 -4.331 1.048 -2.228
265 HB2 TYR 39 HB2 TYR 39 -5.419 3.150 -1.464
266 HB3 TYR 39 HB3 TYR 39 -4.311 2.405 -0.351
267 HD1 TYR 39 HD1 TYR 39 -2.528 3.589 0.622
268 HD2 TYR 39 HD2 TYR 39 -4.678 5.258 -2.730
269 HE1 TYR 39 HE1 TYR 39 -1.493 5.806 1.065
270 HE2 TYR 39 HE2 TYR 39 -3.658 7.483 -2.266
271 HH TYR 39 HH TYR 39 -1.325 8.000 0.404
272 HA PRO 40 HA PRO 40 -6.748 1.829 -2.557
273 HB2 PRO 40 HB2 PRO 40 -8.557 0.768 -4.278
274 HB3 PRO 40 HB3 PRO 40 -8.323 2.529 -4.077
275 HG2 PRO 40 HG2 PRO 40 -7.095 0.723 -6.196
276 HG3 PRO 40 HG3 PRO 40 -7.994 2.257 -6.444
277 HD2 PRO 40 HD2 PRO 40 -5.281 2.214 -6.358
278 HD3 PRO 40 HD3 PRO 40 -6.203 3.551 -5.609
279 H VAL 41 H VAL 41 -7.685 -0.189 -1.870
280 HA VAL 41 HA VAL 41 -5.976 -2.426 -1.791
281 HB VAL 41 HB VAL 41 -7.634 -1.719 -0.086
282 HG11 VAL 41 HG11 VAL 41 -9.766 -2.995 -1.827
283 HG12 VAL 41 HG12 VAL 41 -9.962 -2.315 -0.201
284 HG13 VAL 41 HG13 VAL 41 -9.579 -1.249 -1.559
285 HG21 VAL 41 HG21 VAL 41 -6.681 -3.925 0.105
286 HG22 VAL 41 HG22 VAL 41 -8.365 -3.944 0.619
287 HG23 VAL 41 HG23 VAL 41 -7.934 -4.607 -0.968
288 H ASP 42 H ASP 42 -5.976 -4.426 -2.778
289 HA ASP 42 HA ASP 42 -6.846 -4.563 -5.503
290 HB2 ASP 42 HB2 ASP 42 -4.799 -5.622 -4.607
291 HB3 ASP 42 HB3 ASP 42 -5.788 -6.768 -3.702
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -6.695 -12.923 4.704
2 H2 GLY 1 H2 GLY 1 -7.535 -13.114 3.309
3 H3 GLY 1 H3 GLY 1 -7.824 -11.819 4.271
4 HA2 GLY 1 HA2 GLY 1 -5.318 -12.355 2.806
5 HA3 GLY 1 HA3 GLY 1 -6.530 -11.141 2.361
6 H THR 2 H THR 2 -5.288 -9.300 2.612
7 HA THR 2 HA THR 2 -4.760 -8.423 5.366
8 HB THR 2 HB THR 2 -2.638 -9.527 4.617
9 HG1 THR 2 HG1 THR 2 -2.388 -8.052 6.148
10 HG21 THR 2 HG21 THR 2 -2.400 -7.189 2.679
11 HG22 THR 2 HG22 THR 2 -1.164 -8.403 3.050
12 HG23 THR 2 HG23 THR 2 -2.649 -8.887 2.214
13 H THR 3 H THR 3 -4.341 -6.092 5.508
14 HA THR 3 HA THR 3 -5.232 -4.392 3.270
15 HB THR 3 HB THR 3 -6.801 -3.556 5.451
16 HG1 THR 3 HG1 THR 3 -8.083 -5.315 5.936
17 HG21 THR 3 HG21 THR 3 -7.450 -3.366 3.115
18 HG22 THR 3 HG22 THR 3 -7.588 -5.134 2.970
19 HG23 THR 3 HG23 THR 3 -8.714 -4.229 4.005
20 H CYS 4 H CYS 4 -5.074 -2.119 3.735
21 HA CYS 4 HA CYS 4 -3.629 -1.314 6.188
22 HB2 CYS 4 HB2 CYS 4 -1.862 -0.274 5.053
23 HB3 CYS 4 HB3 CYS 4 -1.986 -1.879 4.365
24 H TYR 5 H TYR 5 -3.597 1.110 6.447
25 HA TYR 5 HA TYR 5 -5.752 2.529 4.960
26 HB2 TYR 5 HB2 TYR 5 -5.591 2.294 7.987
27 HB3 TYR 5 HB3 TYR 5 -6.602 3.436 7.128
28 HD1 TYR 5 HD1 TYR 5 -6.115 -0.158 7.923
29 HD2 TYR 5 HD2 TYR 5 -8.695 2.791 6.113
30 HE1 TYR 5 HE1 TYR 5 -7.988 -1.807 7.895
31 HE2 TYR 5 HE2 TYR 5 -10.569 1.155 6.119
32 HH TYR 5 HH TYR 5 -11.250 -0.964 6.676
33 H CYS 6 H CYS 6 -5.249 4.573 4.457
34 HA CYS 6 HA CYS 6 -3.607 6.166 6.345
35 HB2 CYS 6 HB2 CYS 6 -2.659 5.321 3.652
36 HB3 CYS 6 HB3 CYS 6 -2.457 7.028 4.013
37 H GLY 7 H GLY 7 -4.441 8.174 6.613
38 HA2 GLY 7 HA2 GLY 7 -5.783 10.024 6.324
39 HA3 GLY 7 HA3 GLY 7 -5.401 9.895 4.604
40 H LYS 8 H LYS 8 -7.220 7.521 6.503
41 HA LYS 8 HA LYS 8 -9.155 6.437 6.172
42 HB2 LYS 8 HB2 LYS 8 -9.942 8.805 6.844
43 HB3 LYS 8 HB3 LYS 8 -10.492 8.946 5.171
44 HG2 LYS 8 HG2 LYS 8 -11.951 6.951 5.498
45 HG3 LYS 8 HG3 LYS 8 -11.307 6.743 7.135
46 HD2 LYS 8 HD2 LYS 8 -12.252 8.926 7.796
47 HD3 LYS 8 HD3 LYS 8 -12.854 9.179 6.141
48 HE2 LYS 8 HE2 LYS 8 -14.251 7.140 6.334
49 HE3 LYS 8 HE3 LYS 8 -13.645 6.866 7.971
50 HZ1 LYS 8 HZ1 LYS 8 -15.218 9.240 7.117
51 HZ2 LYS 8 HZ2 LYS 8 -15.797 7.993 7.994
52 HZ3 LYS 8 HZ3 LYS 8 -14.664 8.978 8.633
53 H THR 9 H THR 9 -7.258 6.796 3.850
54 HA THR 9 HA THR 9 -8.978 5.635 1.708
55 HB THR 9 HB THR 9 -6.123 6.670 1.491
56 HG1 THR 9 HG1 THR 9 -7.085 8.314 0.316
57 HG21 THR 9 HG21 THR 9 -6.520 6.403 -0.945
58 HG22 THR 9 HG22 THR 9 -6.580 4.851 -0.104
59 HG23 THR 9 HG23 THR 9 -8.091 5.642 -0.606
60 H ILE 10 H ILE 10 -9.152 3.565 2.046
61 HA ILE 10 HA ILE 10 -7.190 1.923 3.422
62 HB ILE 10 HB ILE 10 -9.618 1.599 3.620
63 HG12 ILE 10 HG12 ILE 10 -8.198 -0.811 2.409
64 HG13 ILE 10 HG13 ILE 10 -8.181 -0.297 4.101
65 HG21 ILE 10 HG21 ILE 10 -9.564 0.670 0.732
66 HG22 ILE 10 HG22 ILE 10 -10.984 0.789 1.802
67 HG23 ILE 10 HG23 ILE 10 -10.162 2.253 1.271
68 HD11 ILE 10 HD11 ILE 10 -9.733 -2.093 3.947
69 HD12 ILE 10 HD12 ILE 10 -10.705 -0.623 4.125
70 HD13 ILE 10 HD13 ILE 10 -10.536 -1.398 2.532
71 H GLY 11 H GLY 11 -5.903 0.301 2.549
72 HA2 GLY 11 HA2 GLY 11 -5.652 0.021 -0.399
73 HA3 GLY 11 HA3 GLY 11 -4.249 0.500 0.543
74 H ILE 12 H ILE 12 -3.545 -1.431 -0.587
75 HA ILE 12 HA ILE 12 -3.965 -3.931 0.939
76 HB ILE 12 HB ILE 12 -3.641 -3.355 -1.846
77 HG12 ILE 12 HG12 ILE 12 -5.136 -4.983 -0.937
78 HG13 ILE 12 HG13 ILE 12 -4.091 -5.662 -2.179
79 HG21 ILE 12 HG21 ILE 12 -1.220 -4.855 -0.825
80 HG22 ILE 12 HG22 ILE 12 -1.825 -4.892 -2.475
81 HG23 ILE 12 HG23 ILE 12 -1.312 -3.339 -1.770
82 HD11 ILE 12 HD11 ILE 12 -2.691 -6.794 -0.513
83 HD12 ILE 12 HD12 ILE 12 -3.655 -6.099 0.805
84 HD13 ILE 12 HD13 ILE 12 -4.392 -7.252 -0.319
85 H TYR 13 H TYR 13 -2.260 -4.868 2.011
86 HA TYR 13 HA TYR 13 0.049 -3.091 2.617
87 HB2 TYR 13 HB2 TYR 13 -1.125 -3.880 4.555
88 HB3 TYR 13 HB3 TYR 13 -1.088 -5.537 3.977
89 HD1 TYR 13 HD1 TYR 13 1.372 -2.743 4.664
90 HD2 TYR 13 HD2 TYR 13 0.463 -6.953 4.957
91 HE1 TYR 13 HE1 TYR 13 3.569 -3.142 5.773
92 HE2 TYR 13 HE2 TYR 13 2.652 -7.348 6.067
93 HH TYR 13 HH TYR 13 4.567 -6.425 6.832
94 H TRP 14 H TRP 14 2.000 -3.417 1.840
95 HA TRP 14 HA TRP 14 2.791 -6.081 0.722
96 HB2 TRP 14 HB2 TRP 14 3.575 -3.266 -0.064
97 HB3 TRP 14 HB3 TRP 14 4.514 -4.674 -0.522
98 HD1 TRP 14 HD1 TRP 14 1.293 -2.905 -1.359
99 HE1 TRP 14 HE1 TRP 14 0.206 -4.002 -3.440
100 HE3 TRP 14 HE3 TRP 14 4.377 -6.961 -1.844
101 HZ2 TRP 14 HZ2 TRP 14 0.577 -6.374 -5.010
102 HZ3 TRP 14 HZ3 TRP 14 3.983 -8.634 -3.641
103 HH2 TRP 14 HH2 TRP 14 2.087 -8.361 -5.218
104 H PHE 15 H PHE 15 4.278 -7.159 1.770
105 HA PHE 15 HA PHE 15 5.935 -5.866 3.877
106 HB2 PHE 15 HB2 PHE 15 4.620 -7.750 4.622
107 HB3 PHE 15 HB3 PHE 15 5.191 -8.745 3.293
108 HD1 PHE 15 HD1 PHE 15 6.812 -10.346 3.812
109 HD2 PHE 15 HD2 PHE 15 6.714 -6.685 6.093
110 HE1 PHE 15 HE1 PHE 15 8.696 -11.157 5.211
111 HE2 PHE 15 HE2 PHE 15 8.583 -7.501 7.492
112 HZ PHE 15 HZ PHE 15 9.584 -9.741 7.054
113 H GLY 16 H GLY 16 8.157 -6.035 3.918
114 HA2 GLY 16 HA2 GLY 16 10.315 -6.512 3.254
115 HA3 GLY 16 HA3 GLY 16 9.675 -7.747 2.166
116 H THR 17 H THR 17 8.562 -4.464 1.778
117 HA THR 17 HA THR 17 10.536 -3.741 -0.261
118 HB THR 17 HB THR 17 8.693 -4.924 -1.504
119 HG1 THR 17 HG1 THR 17 8.464 -3.171 -2.966
120 HG21 THR 17 HG21 THR 17 6.558 -4.021 -1.793
121 HG22 THR 17 HG22 THR 17 6.788 -4.126 -0.037
122 HG23 THR 17 HG23 THR 17 6.946 -2.563 -0.875
123 H LYS 18 H LYS 18 10.270 -1.520 -0.883
124 HA LYS 18 HA LYS 18 9.037 0.292 1.182
125 HB2 LYS 18 HB2 LYS 18 11.740 0.584 -0.193
126 HB3 LYS 18 HB3 LYS 18 10.956 1.824 0.793
127 HG2 LYS 18 HG2 LYS 18 10.866 0.154 2.700
128 HG3 LYS 18 HG3 LYS 18 11.868 -0.929 1.729
129 HD2 LYS 18 HD2 LYS 18 12.641 1.878 2.650
130 HD3 LYS 18 HD3 LYS 18 13.174 0.363 3.391
131 HE2 LYS 18 HE2 LYS 18 14.270 -0.296 1.251
132 HE3 LYS 18 HE3 LYS 18 13.771 1.240 0.528
133 HZ1 LYS 18 HZ1 LYS 18 15.572 0.972 2.878
134 HZ2 LYS 18 HZ2 LYS 18 16.045 1.359 1.366
135 HZ3 LYS 18 HZ3 LYS 18 15.107 2.391 2.213
136 H THR 19 H THR 19 8.865 -0.621 -1.933
137 HA THR 19 HA THR 19 7.479 1.889 -2.740
138 HB THR 19 HB THR 19 9.750 1.697 -3.853
139 HG1 THR 19 HG1 THR 19 8.390 3.011 -4.839
140 HG21 THR 19 HG21 THR 19 9.979 0.225 -5.772
141 HG22 THR 19 HG22 THR 19 9.707 -0.762 -4.324
142 HG23 THR 19 HG23 THR 19 8.384 -0.496 -5.482
143 H CYS 20 H CYS 20 5.882 1.552 -4.478
144 HA CYS 20 HA CYS 20 4.439 -1.003 -4.056
145 HB2 CYS 20 HB2 CYS 20 3.517 1.650 -5.190
146 HB3 CYS 20 HB3 CYS 20 2.501 0.218 -5.010
147 HA PRO 21 HA PRO 21 5.674 -2.329 -8.134
148 HB2 PRO 21 HB2 PRO 21 3.819 -4.323 -8.592
149 HB3 PRO 21 HB3 PRO 21 5.236 -4.476 -7.508
150 HG2 PRO 21 HG2 PRO 21 2.381 -3.843 -6.788
151 HG3 PRO 21 HG3 PRO 21 3.496 -4.962 -5.950
152 HD2 PRO 21 HD2 PRO 21 3.058 -2.473 -5.010
153 HD3 PRO 21 HD3 PRO 21 4.670 -3.245 -4.908
154 H SER 22 H SER 22 5.390 -0.828 -9.623
155 HA SER 22 HA SER 22 3.184 0.808 -9.992
156 HB2 SER 22 HB2 SER 22 5.543 1.248 -10.667
157 HB3 SER 22 HB3 SER 22 5.332 0.157 -12.050
158 HG SER 22 HG SER 22 4.993 2.384 -12.581
159 H ASN 23 H ASN 23 3.878 -2.191 -11.742
160 HA ASN 23 HA ASN 23 1.955 -1.880 -13.840
161 HB2 ASN 23 HB2 ASN 23 3.219 -4.380 -12.627
162 HB3 ASN 23 HB3 ASN 23 2.306 -4.345 -14.129
163 HD21 ASN 23 HD21 ASN 23 5.447 -4.119 -12.868
164 HD22 ASN 23 HD22 ASN 23 6.187 -3.397 -14.287
165 H ARG 24 H ARG 24 1.336 -2.417 -10.513
166 HA ARG 24 HA ARG 24 -1.111 -3.999 -10.940
167 HB2 ARG 24 HB2 ARG 24 0.655 -4.297 -9.127
168 HB3 ARG 24 HB3 ARG 24 -0.081 -2.922 -8.311
169 HG2 ARG 24 HG2 ARG 24 -2.055 -4.107 -7.827
170 HG3 ARG 24 HG3 ARG 24 -1.893 -5.166 -9.244
171 HD2 ARG 24 HD2 ARG 24 0.043 -6.272 -8.218
172 HD3 ARG 24 HD3 ARG 24 -0.170 -5.291 -6.754
173 HE ARG 24 HE ARG 24 -2.637 -6.413 -6.970
174 HH11 ARG 24 HH11 ARG 24 0.441 -8.096 -7.252
175 HH12 ARG 24 HH12 ARG 24 -0.273 -9.593 -6.710
176 HH21 ARG 24 HH21 ARG 24 -3.423 -8.204 -6.377
177 HH22 ARG 24 HH22 ARG 24 -2.459 -9.675 -6.194
178 H GLY 25 H GLY 25 -0.436 -0.726 -11.043
179 HA2 GLY 25 HA2 GLY 25 -1.929 0.920 -11.698
180 HA3 GLY 25 HA3 GLY 25 -3.285 -0.146 -11.334
181 H TYR 26 H TYR 26 -0.886 0.552 -8.839
182 HA TYR 26 HA TYR 26 -2.856 1.690 -7.077
183 HB2 TYR 26 HB2 TYR 26 0.177 1.597 -6.902
184 HB3 TYR 26 HB3 TYR 26 -0.882 2.124 -5.595
185 HD1 TYR 26 HD1 TYR 26 1.023 -0.594 -6.621
186 HD2 TYR 26 HD2 TYR 26 -2.962 0.322 -5.207
187 HE1 TYR 26 HE1 TYR 26 0.743 -2.922 -5.806
188 HE2 TYR 26 HE2 TYR 26 -3.234 -2.024 -4.457
189 HH TYR 26 HH TYR 26 -2.306 -4.129 -4.455
190 H THR 27 H THR 27 -3.206 3.773 -6.383
191 HA THR 27 HA THR 27 -2.232 5.961 -8.170
192 HB THR 27 HB THR 27 -4.177 7.218 -7.387
193 HG1 THR 27 HG1 THR 27 -5.703 6.205 -6.108
194 HG21 THR 27 HG21 THR 27 -4.408 5.739 -9.383
195 HG22 THR 27 HG22 THR 27 -5.004 4.436 -8.331
196 HG23 THR 27 HG23 THR 27 -5.928 5.945 -8.496
197 H GLY 28 H GLY 28 -1.844 4.789 -4.952
198 HA2 GLY 28 HA2 GLY 28 0.114 6.808 -4.364
199 HA3 GLY 28 HA3 GLY 28 -1.354 7.095 -3.435
200 H SER 29 H SER 29 0.740 6.717 -1.947
201 HA SER 29 HA SER 29 0.496 4.060 -0.716
202 HB2 SER 29 HB2 SER 29 2.871 3.544 -0.953
203 HB3 SER 29 HB3 SER 29 2.085 3.712 -2.530
204 HG SER 29 HG SER 29 3.796 5.613 -1.264
205 H CYS 30 H CYS 30 1.692 3.809 1.274
206 HA CYS 30 HA CYS 30 3.134 6.079 2.370
207 HB2 CYS 30 HB2 CYS 30 1.767 6.426 4.334
208 HB3 CYS 30 HB3 CYS 30 0.742 6.630 2.910
209 H GLY 31 H GLY 31 4.552 5.529 4.076
210 HA2 GLY 31 HA2 GLY 31 5.372 2.793 4.239
211 HA3 GLY 31 HA3 GLY 31 5.899 4.091 5.311
212 H TYR 32 H TYR 32 4.904 1.158 5.704
213 HA TYR 32 HA TYR 32 2.808 1.697 7.773
214 HB2 TYR 32 HB2 TYR 32 2.198 0.652 5.404
215 HB3 TYR 32 HB3 TYR 32 2.810 -0.823 6.125
216 HD1 TYR 32 HD1 TYR 32 1.186 -2.166 7.274
217 HD2 TYR 32 HD2 TYR 32 0.525 2.083 6.853
218 HE1 TYR 32 HE1 TYR 32 -1.086 -2.410 8.270
219 HE2 TYR 32 HE2 TYR 32 -1.714 1.841 7.899
220 HH TYR 32 HH TYR 32 -3.218 0.405 8.884
221 H PHE 33 H PHE 33 2.527 -0.397 9.206
222 HA PHE 33 HA PHE 33 4.966 -0.789 10.639
223 HB2 PHE 33 HB2 PHE 33 2.702 -1.045 11.598
224 HB3 PHE 33 HB3 PHE 33 2.464 -2.486 10.600
225 HD1 PHE 33 HD1 PHE 33 5.051 -1.161 13.030
226 HD2 PHE 33 HD2 PHE 33 2.674 -4.522 11.730
227 HE1 PHE 33 HE1 PHE 33 6.036 -2.559 14.829
228 HE2 PHE 33 HE2 PHE 33 3.648 -5.908 13.545
229 HZ PHE 33 HZ PHE 33 5.337 -4.932 15.092
230 H LEU 34 H LEU 34 6.642 -2.018 10.232
231 HA LEU 34 HA LEU 34 8.109 -3.396 9.335
232 HB2 LEU 34 HB2 LEU 34 5.867 -5.402 9.065
233 HB3 LEU 34 HB3 LEU 34 7.588 -5.759 9.108
234 HG LEU 34 HG LEU 34 5.990 -4.575 11.415
235 HD11 LEU 34 HD11 LEU 34 5.374 -6.872 10.873
236 HD12 LEU 34 HD12 LEU 34 7.082 -7.368 10.942
237 HD13 LEU 34 HD13 LEU 34 6.251 -6.796 12.414
238 HD21 LEU 34 HD21 LEU 34 8.340 -3.886 11.563
239 HD22 LEU 34 HD22 LEU 34 7.980 -5.115 12.778
240 HD23 LEU 34 HD23 LEU 34 8.869 -5.567 11.304
241 H GLY 35 H GLY 35 5.929 -2.111 7.297
242 HA2 GLY 35 HA2 GLY 35 7.487 -2.714 4.876
243 HA3 GLY 35 HA3 GLY 35 5.909 -3.495 4.920
244 H ILE 36 H ILE 36 4.784 -2.425 3.404
245 HA ILE 36 HA ILE 36 4.299 0.493 3.715
246 HB ILE 36 HB ILE 36 6.058 0.572 2.215
247 HG12 ILE 36 HG12 ILE 36 3.642 0.533 0.367
248 HG13 ILE 36 HG13 ILE 36 3.963 1.806 1.523
249 HG21 ILE 36 HG21 ILE 36 6.385 -0.745 0.238
250 HG22 ILE 36 HG22 ILE 36 6.144 -1.868 1.567
251 HG23 ILE 36 HG23 ILE 36 4.814 -1.550 0.436
252 HD11 ILE 36 HD11 ILE 36 4.760 2.570 -0.587
253 HD12 ILE 36 HD12 ILE 36 6.187 2.204 0.389
254 HD13 ILE 36 HD13 ILE 36 5.643 1.066 -0.884
255 H CYS 37 H CYS 37 2.439 1.282 2.944
256 HA CYS 37 HA CYS 37 0.246 -0.615 2.272
257 HB2 CYS 37 HB2 CYS 37 -0.016 0.781 4.266
258 HB3 CYS 37 HB3 CYS 37 0.430 2.212 3.360
259 H CYS 38 H CYS 38 -0.562 -0.556 0.234
260 HA CYS 38 HA CYS 38 0.059 1.727 -1.611
261 HB2 CYS 38 HB2 CYS 38 -0.083 -1.227 -2.245
262 HB3 CYS 38 HB3 CYS 38 0.228 0.053 -3.406
263 H TYR 39 H TYR 39 -1.752 2.536 -2.639
264 HA TYR 39 HA TYR 39 -4.318 1.077 -2.283
265 HB2 TYR 39 HB2 TYR 39 -5.393 3.229 -1.600
266 HB3 TYR 39 HB3 TYR 39 -4.354 2.452 -0.441
267 HD1 TYR 39 HD1 TYR 39 -2.515 3.553 0.551
268 HD2 TYR 39 HD2 TYR 39 -4.586 5.328 -2.795
269 HE1 TYR 39 HE1 TYR 39 -1.452 5.751 1.057
270 HE2 TYR 39 HE2 TYR 39 -3.545 7.526 -2.270
271 HH TYR 39 HH TYR 39 -2.138 8.687 -0.879
272 HA PRO 40 HA PRO 40 -6.733 1.891 -2.668
273 HB2 PRO 40 HB2 PRO 40 -8.508 0.782 -4.399
274 HB3 PRO 40 HB3 PRO 40 -8.273 2.549 -4.244
275 HG2 PRO 40 HG2 PRO 40 -7.000 0.678 -6.279
276 HG3 PRO 40 HG3 PRO 40 -7.893 2.204 -6.595
277 HD2 PRO 40 HD2 PRO 40 -5.186 2.171 -6.448
278 HD3 PRO 40 HD3 PRO 40 -6.123 3.522 -5.748
279 H VAL 41 H VAL 41 -7.703 -0.114 -1.950
280 HA VAL 41 HA VAL 41 -5.988 -2.351 -1.782
281 HB VAL 41 HB VAL 41 -7.667 -1.621 -0.112
282 HG11 VAL 41 HG11 VAL 41 -9.592 -1.165 -1.615
283 HG12 VAL 41 HG12 VAL 41 -9.779 -2.914 -1.870
284 HG13 VAL 41 HG13 VAL 41 -9.996 -2.216 -0.254
285 HG21 VAL 41 HG21 VAL 41 -6.720 -3.832 0.112
286 HG22 VAL 41 HG22 VAL 41 -8.407 -3.834 0.616
287 HG23 VAL 41 HG23 VAL 41 -7.969 -4.521 -0.960
288 H ASP 42 H ASP 42 -5.974 -4.359 -2.720
289 HA ASP 42 HA ASP 42 -7.526 -4.735 -5.249
290 HB2 ASP 42 HB2 ASP 42 -5.286 -3.904 -5.713
291 HB3 ASP 42 HB3 ASP 42 -4.572 -5.171 -4.722
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -6.434 -12.118 2.857
2 H2 GLY 1 H2 GLY 1 -6.125 -12.190 1.249
3 H3 GLY 1 H3 GLY 1 -6.903 -10.893 1.879
4 HA2 GLY 1 HA2 GLY 1 -4.105 -11.656 2.425
5 HA3 GLY 1 HA3 GLY 1 -4.622 -10.311 1.391
6 H THR 2 H THR 2 -3.377 -8.896 2.759
7 HA THR 2 HA THR 2 -4.624 -8.258 5.420
8 HB THR 2 HB THR 2 -1.738 -7.863 4.563
9 HG1 THR 2 HG1 THR 2 -2.224 -10.017 4.995
10 HG21 THR 2 HG21 THR 2 -1.378 -7.362 6.980
11 HG22 THR 2 HG22 THR 2 -2.395 -6.150 6.198
12 HG23 THR 2 HG23 THR 2 -3.138 -7.389 7.236
13 H THR 3 H THR 3 -5.641 -6.354 5.516
14 HA THR 3 HA THR 3 -5.416 -4.381 3.376
15 HB THR 3 HB THR 3 -7.008 -3.228 5.316
16 HG1 THR 3 HG1 THR 3 -7.915 -5.864 5.286
17 HG21 THR 3 HG21 THR 3 -7.726 -5.114 3.053
18 HG22 THR 3 HG22 THR 3 -8.904 -4.116 3.942
19 HG23 THR 3 HG23 THR 3 -7.598 -3.338 3.028
20 H CYS 4 H CYS 4 -5.134 -2.163 3.741
21 HA CYS 4 HA CYS 4 -3.683 -1.357 6.174
22 HB2 CYS 4 HB2 CYS 4 -1.898 -0.345 5.038
23 HB3 CYS 4 HB3 CYS 4 -2.047 -1.935 4.326
24 H TYR 5 H TYR 5 -3.672 1.046 6.519
25 HA TYR 5 HA TYR 5 -5.809 2.496 5.010
26 HB2 TYR 5 HB2 TYR 5 -5.591 2.296 8.035
27 HB3 TYR 5 HB3 TYR 5 -6.648 3.395 7.166
28 HD1 TYR 5 HD1 TYR 5 -6.037 -0.172 8.013
29 HD2 TYR 5 HD2 TYR 5 -8.741 2.670 6.213
30 HE1 TYR 5 HE1 TYR 5 -7.844 -1.885 8.027
31 HE2 TYR 5 HE2 TYR 5 -10.559 0.964 6.265
32 HH TYR 5 HH TYR 5 -10.039 -2.342 7.554
33 H CYS 6 H CYS 6 -5.272 4.513 4.439
34 HA CYS 6 HA CYS 6 -3.613 6.148 6.276
35 HB2 CYS 6 HB2 CYS 6 -2.665 5.147 3.639
36 HB3 CYS 6 HB3 CYS 6 -2.438 6.868 3.895
37 H GLY 7 H GLY 7 -4.327 8.218 6.410
38 HA2 GLY 7 HA2 GLY 7 -5.535 10.131 5.984
39 HA3 GLY 7 HA3 GLY 7 -5.110 9.868 4.291
40 H LYS 8 H LYS 8 -7.212 7.842 6.321
41 HA LYS 8 HA LYS 8 -9.250 6.914 6.003
42 HB2 LYS 8 HB2 LYS 8 -10.054 9.601 4.854
43 HB3 LYS 8 HB3 LYS 8 -11.151 8.314 5.353
44 HG2 LYS 8 HG2 LYS 8 -10.287 8.450 7.675
45 HG3 LYS 8 HG3 LYS 8 -9.236 9.799 7.196
46 HD2 LYS 8 HD2 LYS 8 -11.217 11.145 6.570
47 HD3 LYS 8 HD3 LYS 8 -12.275 9.778 6.932
48 HE2 LYS 8 HE2 LYS 8 -12.411 11.274 8.781
49 HE3 LYS 8 HE3 LYS 8 -11.541 9.833 9.312
50 HZ1 LYS 8 HZ1 LYS 8 -10.265 12.409 8.539
51 HZ2 LYS 8 HZ2 LYS 8 -10.471 11.888 10.070
52 HZ3 LYS 8 HZ3 LYS 8 -9.460 11.087 9.074
53 H THR 9 H THR 9 -7.244 6.748 3.814
54 HA THR 9 HA THR 9 -9.006 5.594 1.699
55 HB THR 9 HB THR 9 -6.117 6.507 1.389
56 HG1 THR 9 HG1 THR 9 -7.023 8.169 0.194
57 HG21 THR 9 HG21 THR 9 -6.623 6.198 -1.032
58 HG22 THR 9 HG22 THR 9 -6.723 4.675 -0.141
59 HG23 THR 9 HG23 THR 9 -8.212 5.524 -0.612
60 H ILE 10 H ILE 10 -9.202 3.528 2.047
61 HA ILE 10 HA ILE 10 -7.246 1.879 3.437
62 HB ILE 10 HB ILE 10 -9.672 1.605 3.693
63 HG12 ILE 10 HG12 ILE 10 -8.347 -0.866 2.495
64 HG13 ILE 10 HG13 ILE 10 -8.247 -0.314 4.173
65 HG21 ILE 10 HG21 ILE 10 -10.253 2.216 1.341
66 HG22 ILE 10 HG22 ILE 10 -9.688 0.613 0.824
67 HG23 ILE 10 HG23 ILE 10 -11.087 0.775 1.916
68 HD11 ILE 10 HD11 ILE 10 -10.682 -1.397 2.721
69 HD12 ILE 10 HD12 ILE 10 -9.866 -2.048 4.150
70 HD13 ILE 10 HD13 ILE 10 -10.793 -0.547 4.281
71 H GLY 11 H GLY 11 -6.010 0.202 2.561
72 HA2 GLY 11 HA2 GLY 11 -5.828 -0.144 -0.384
73 HA3 GLY 11 HA3 GLY 11 -4.403 0.384 0.506
74 H ILE 12 H ILE 12 -3.623 -1.528 -0.534
75 HA ILE 12 HA ILE 12 -4.023 -4.042 0.986
76 HB ILE 12 HB ILE 12 -3.711 -3.447 -1.798
77 HG12 ILE 12 HG12 ILE 12 -5.190 -5.100 -0.978
78 HG13 ILE 12 HG13 ILE 12 -4.082 -5.771 -2.166
79 HG21 ILE 12 HG21 ILE 12 -1.383 -3.403 -1.718
80 HG22 ILE 12 HG22 ILE 12 -1.280 -4.940 -0.804
81 HG23 ILE 12 HG23 ILE 12 -1.874 -4.947 -2.453
82 HD11 ILE 12 HD11 ILE 12 -3.985 -6.253 0.820
83 HD12 ILE 12 HD12 ILE 12 -4.388 -7.412 -0.445
84 HD13 ILE 12 HD13 ILE 12 -2.729 -6.801 -0.316
85 H TYR 13 H TYR 13 -2.312 -4.962 2.054
86 HA TYR 13 HA TYR 13 0.017 -3.179 2.612
87 HB2 TYR 13 HB2 TYR 13 -1.167 -3.963 4.557
88 HB3 TYR 13 HB3 TYR 13 -1.081 -5.624 3.999
89 HD1 TYR 13 HD1 TYR 13 1.303 -2.774 4.720
90 HD2 TYR 13 HD2 TYR 13 0.486 -7.007 4.989
91 HE1 TYR 13 HE1 TYR 13 3.443 -3.120 5.953
92 HE2 TYR 13 HE2 TYR 13 2.602 -7.339 6.238
93 HH TYR 13 HH TYR 13 4.442 -6.364 7.121
94 H TRP 14 H TRP 14 1.960 -3.513 1.814
95 HA TRP 14 HA TRP 14 2.706 -6.171 0.635
96 HB2 TRP 14 HB2 TRP 14 3.492 -3.352 -0.131
97 HB3 TRP 14 HB3 TRP 14 4.414 -4.756 -0.631
98 HD1 TRP 14 HD1 TRP 14 1.185 -2.959 -1.340
99 HE1 TRP 14 HE1 TRP 14 0.114 -3.908 -3.491
100 HE3 TRP 14 HE3 TRP 14 4.276 -6.975 -2.108
101 HZ2 TRP 14 HZ2 TRP 14 0.535 -6.093 -5.285
102 HZ3 TRP 14 HZ3 TRP 14 3.913 -8.479 -4.054
103 HH2 TRP 14 HH2 TRP 14 2.048 -8.057 -5.641
104 H PHE 15 H PHE 15 4.102 -7.278 1.803
105 HA PHE 15 HA PHE 15 5.889 -5.913 3.753
106 HB2 PHE 15 HB2 PHE 15 4.477 -7.652 4.676
107 HB3 PHE 15 HB3 PHE 15 5.019 -8.800 3.462
108 HD1 PHE 15 HD1 PHE 15 6.608 -10.373 4.156
109 HD2 PHE 15 HD2 PHE 15 6.581 -6.486 6.035
110 HE1 PHE 15 HE1 PHE 15 8.469 -11.071 5.641
111 HE2 PHE 15 HE2 PHE 15 8.437 -7.194 7.518
112 HZ PHE 15 HZ PHE 15 9.388 -9.484 7.323
113 H GLY 16 H GLY 16 8.096 -6.256 3.787
114 HA2 GLY 16 HA2 GLY 16 10.205 -6.885 3.084
115 HA3 GLY 16 HA3 GLY 16 9.472 -8.085 2.018
116 H THR 17 H THR 17 8.514 -4.741 1.648
117 HA THR 17 HA THR 17 10.479 -4.157 -0.445
118 HB THR 17 HB THR 17 8.512 -5.211 -1.610
119 HG1 THR 17 HG1 THR 17 8.390 -3.450 -3.092
120 HG21 THR 17 HG21 THR 17 7.008 -2.689 -0.918
121 HG22 THR 17 HG22 THR 17 6.456 -4.069 -1.875
122 HG23 THR 17 HG23 THR 17 6.710 -4.255 -0.128
123 H LYS 18 H LYS 18 10.388 -1.955 -1.065
124 HA LYS 18 HA LYS 18 9.738 -0.067 1.185
125 HB2 LYS 18 HB2 LYS 18 11.572 1.289 0.308
126 HB3 LYS 18 HB3 LYS 18 12.111 -0.347 0.717
127 HG2 LYS 18 HG2 LYS 18 12.059 -0.945 -1.713
128 HG3 LYS 18 HG3 LYS 18 11.567 0.716 -2.095
129 HD2 LYS 18 HD2 LYS 18 13.672 1.571 -1.115
130 HD3 LYS 18 HD3 LYS 18 14.156 -0.088 -0.697
131 HE2 LYS 18 HE2 LYS 18 14.070 -0.712 -3.106
132 HE3 LYS 18 HE3 LYS 18 13.609 0.947 -3.518
133 HZ1 LYS 18 HZ1 LYS 18 15.750 1.691 -2.613
134 HZ2 LYS 18 HZ2 LYS 18 16.173 0.159 -2.231
135 HZ3 LYS 18 HZ3 LYS 18 15.997 0.593 -3.793
136 H THR 19 H THR 19 9.086 -0.713 -2.074
137 HA THR 19 HA THR 19 7.446 1.770 -2.363
138 HB THR 19 HB THR 19 9.632 1.905 -3.619
139 HG1 THR 19 HG1 THR 19 8.592 2.797 -5.386
140 HG21 THR 19 HG21 THR 19 9.702 -0.454 -4.466
141 HG22 THR 19 HG22 THR 19 8.283 -0.109 -5.482
142 HG23 THR 19 HG23 THR 19 9.816 0.750 -5.761
143 H CYS 20 H CYS 20 5.798 1.606 -4.097
144 HA CYS 20 HA CYS 20 4.436 -1.002 -3.931
145 HB2 CYS 20 HB2 CYS 20 3.520 1.680 -5.015
146 HB3 CYS 20 HB3 CYS 20 2.518 0.230 -4.922
147 HA PRO 21 HA PRO 21 5.712 -2.169 -8.050
148 HB2 PRO 21 HB2 PRO 21 3.791 -4.046 -8.652
149 HB3 PRO 21 HB3 PRO 21 5.144 -4.326 -7.516
150 HG2 PRO 21 HG2 PRO 21 2.298 -3.541 -6.862
151 HG3 PRO 21 HG3 PRO 21 3.295 -4.794 -6.070
152 HD2 PRO 21 HD2 PRO 21 3.001 -2.336 -4.996
153 HD3 PRO 21 HD3 PRO 21 4.553 -3.218 -4.893
154 H SER 22 H SER 22 5.495 -0.635 -9.562
155 HA SER 22 HA SER 22 3.360 1.137 -9.801
156 HB2 SER 22 HB2 SER 22 5.746 1.421 -10.600
157 HB3 SER 22 HB3 SER 22 5.313 0.465 -12.037
158 HG SER 22 HG SER 22 5.118 2.755 -12.351
159 H ASN 23 H ASN 23 3.927 -1.792 -11.721
160 HA ASN 23 HA ASN 23 1.824 -1.260 -13.633
161 HB2 ASN 23 HB2 ASN 23 3.273 -3.877 -13.072
162 HB3 ASN 23 HB3 ASN 23 2.416 -3.431 -14.548
163 HD21 ASN 23 HD21 ASN 23 3.320 -1.190 -15.524
164 HD22 ASN 23 HD22 ASN 23 5.073 -1.148 -15.595
165 H ARG 24 H ARG 24 1.510 -2.151 -10.437
166 HA ARG 24 HA ARG 24 -0.758 -4.001 -10.687
167 HB2 ARG 24 HB2 ARG 24 1.101 -3.754 -8.818
168 HB3 ARG 24 HB3 ARG 24 0.057 -2.474 -8.214
169 HG2 ARG 24 HG2 ARG 24 -0.646 -4.299 -6.979
170 HG3 ARG 24 HG3 ARG 24 -1.821 -4.350 -8.294
171 HD2 ARG 24 HD2 ARG 24 -0.228 -6.026 -9.417
172 HD3 ARG 24 HD3 ARG 24 0.702 -6.014 -7.914
173 HE ARG 24 HE ARG 24 -2.094 -6.512 -7.358
174 HH11 ARG 24 HH11 ARG 24 0.692 -8.281 -8.577
175 HH12 ARG 24 HH12 ARG 24 0.031 -9.800 -8.032
176 HH21 ARG 24 HH21 ARG 24 -2.834 -8.314 -6.758
177 HH22 ARG 24 HH22 ARG 24 -1.978 -9.844 -6.992
178 H GLY 25 H GLY 25 -0.446 -0.624 -10.994
179 HA2 GLY 25 HA2 GLY 25 -2.118 0.813 -11.710
180 HA3 GLY 25 HA3 GLY 25 -3.352 -0.351 -11.241
181 H TYR 26 H TYR 26 -0.991 0.643 -8.818
182 HA TYR 26 HA TYR 26 -3.039 1.722 -7.107
183 HB2 TYR 26 HB2 TYR 26 -0.010 1.782 -6.889
184 HB3 TYR 26 HB3 TYR 26 -1.109 2.298 -5.616
185 HD1 TYR 26 HD1 TYR 26 0.939 -0.347 -6.463
186 HD2 TYR 26 HD2 TYR 26 -3.152 0.411 -5.285
187 HE1 TYR 26 HE1 TYR 26 0.728 -2.669 -5.591
188 HE2 TYR 26 HE2 TYR 26 -3.353 -1.928 -4.489
189 HH TYR 26 HH TYR 26 -2.361 -3.952 -4.360
190 H THR 27 H THR 27 -3.304 3.790 -6.268
191 HA THR 27 HA THR 27 -2.488 6.026 -8.089
192 HB THR 27 HB THR 27 -4.942 5.404 -7.773
193 HG1 THR 27 HG1 THR 27 -5.499 7.561 -7.889
194 HG21 THR 27 HG21 THR 27 -4.871 5.280 -5.236
195 HG22 THR 27 HG22 THR 27 -4.676 7.042 -5.215
196 HG23 THR 27 HG23 THR 27 -6.141 6.315 -5.905
197 H GLY 28 H GLY 28 -2.007 4.787 -4.896
198 HA2 GLY 28 HA2 GLY 28 -0.013 6.766 -4.322
199 HA3 GLY 28 HA3 GLY 28 -1.456 7.071 -3.363
200 H SER 29 H SER 29 0.631 6.654 -1.913
201 HA SER 29 HA SER 29 0.402 3.987 -0.691
202 HB2 SER 29 HB2 SER 29 2.751 3.464 -0.965
203 HB3 SER 29 HB3 SER 29 1.986 3.703 -2.552
204 HG SER 29 HG SER 29 4.009 4.771 -2.437
205 H CYS 30 H CYS 30 1.717 3.727 1.247
206 HA CYS 30 HA CYS 30 3.110 6.015 2.334
207 HB2 CYS 30 HB2 CYS 30 1.791 6.329 4.340
208 HB3 CYS 30 HB3 CYS 30 0.736 6.543 2.940
209 H GLY 31 H GLY 31 4.628 5.457 3.922
210 HA2 GLY 31 HA2 GLY 31 5.377 2.696 4.127
211 HA3 GLY 31 HA3 GLY 31 6.026 4.008 5.107
212 H TYR 32 H TYR 32 4.861 1.135 5.650
213 HA TYR 32 HA TYR 32 2.752 1.864 7.650
214 HB2 TYR 32 HB2 TYR 32 2.343 0.496 5.396
215 HB3 TYR 32 HB3 TYR 32 2.941 -0.843 6.354
216 HD1 TYR 32 HD1 TYR 32 1.220 -2.109 7.432
217 HD2 TYR 32 HD2 TYR 32 0.578 2.085 6.621
218 HE1 TYR 32 HE1 TYR 32 -1.105 -2.294 8.290
219 HE2 TYR 32 HE2 TYR 32 -1.738 1.896 7.500
220 HH TYR 32 HH TYR 32 -3.064 -1.182 8.754
221 H PHE 33 H PHE 33 2.514 -0.403 9.107
222 HA PHE 33 HA PHE 33 4.912 -0.558 10.747
223 HB2 PHE 33 HB2 PHE 33 2.670 -1.011 11.645
224 HB3 PHE 33 HB3 PHE 33 2.524 -2.402 10.560
225 HD1 PHE 33 HD1 PHE 33 4.939 -1.059 13.145
226 HD2 PHE 33 HD2 PHE 33 2.930 -4.508 11.504
227 HE1 PHE 33 HE1 PHE 33 6.014 -2.503 14.856
228 HE2 PHE 33 HE2 PHE 33 3.991 -5.943 13.230
229 HZ PHE 33 HZ PHE 33 5.541 -4.946 14.902
230 H LEU 34 H LEU 34 6.678 -1.549 10.272
231 HA LEU 34 HA LEU 34 8.289 -2.727 9.381
232 HB2 LEU 34 HB2 LEU 34 6.309 -4.960 8.902
233 HB3 LEU 34 HB3 LEU 34 8.061 -5.102 8.964
234 HG LEU 34 HG LEU 34 6.273 -4.287 11.299
235 HD11 LEU 34 HD11 LEU 34 6.805 -6.486 12.208
236 HD12 LEU 34 HD12 LEU 34 5.983 -6.624 10.647
237 HD13 LEU 34 HD13 LEU 34 7.743 -6.887 10.746
238 HD21 LEU 34 HD21 LEU 34 8.287 -4.639 12.692
239 HD22 LEU 34 HD22 LEU 34 9.262 -4.868 11.220
240 HD23 LEU 34 HD23 LEU 34 8.495 -3.298 11.565
241 H GLY 35 H GLY 35 5.565 -3.446 7.172
242 HA2 GLY 35 HA2 GLY 35 7.291 -3.074 4.771
243 HA3 GLY 35 HA3 GLY 35 5.678 -3.765 4.838
244 H ILE 36 H ILE 36 4.826 -2.557 3.243
245 HA ILE 36 HA ILE 36 4.331 0.353 3.719
246 HB ILE 36 HB ILE 36 6.064 0.468 2.181
247 HG12 ILE 36 HG12 ILE 36 3.626 0.421 0.348
248 HG13 ILE 36 HG13 ILE 36 3.931 1.696 1.507
249 HG21 ILE 36 HG21 ILE 36 4.806 -1.711 0.490
250 HG22 ILE 36 HG22 ILE 36 6.318 -0.841 0.155
251 HG23 ILE 36 HG23 ILE 36 6.227 -1.918 1.537
252 HD11 ILE 36 HD11 ILE 36 5.587 0.982 -0.912
253 HD12 ILE 36 HD12 ILE 36 4.695 2.477 -0.593
254 HD13 ILE 36 HD13 ILE 36 6.146 2.118 0.357
255 H CYS 37 H CYS 37 2.445 1.190 2.944
256 HA CYS 37 HA CYS 37 0.232 -0.697 2.293
257 HB2 CYS 37 HB2 CYS 37 -0.031 0.661 4.284
258 HB3 CYS 37 HB3 CYS 37 0.450 2.104 3.419
259 H CYS 38 H CYS 38 -0.664 -0.600 0.290
260 HA CYS 38 HA CYS 38 -0.049 1.670 -1.568
261 HB2 CYS 38 HB2 CYS 38 -0.195 -1.281 -2.229
262 HB3 CYS 38 HB3 CYS 38 0.137 0.020 -3.362
263 H TYR 39 H TYR 39 -1.855 2.476 -2.592
264 HA TYR 39 HA TYR 39 -4.421 1.006 -2.266
265 HB2 TYR 39 HB2 TYR 39 -5.504 3.108 -1.498
266 HB3 TYR 39 HB3 TYR 39 -4.420 2.342 -0.375
267 HD1 TYR 39 HD1 TYR 39 -2.606 3.478 0.610
268 HD2 TYR 39 HD2 TYR 39 -4.741 5.235 -2.704
269 HE1 TYR 39 HE1 TYR 39 -1.523 5.669 1.078
270 HE2 TYR 39 HE2 TYR 39 -3.671 7.433 -2.219
271 HH TYR 39 HH TYR 39 -1.314 7.870 0.441
272 HA PRO 40 HA PRO 40 -6.850 1.785 -2.620
273 HB2 PRO 40 HB2 PRO 40 -8.613 0.725 -4.386
274 HB3 PRO 40 HB3 PRO 40 -8.401 2.491 -4.177
275 HG2 PRO 40 HG2 PRO 40 -7.100 0.698 -6.267
276 HG3 PRO 40 HG3 PRO 40 -8.018 2.218 -6.538
277 HD2 PRO 40 HD2 PRO 40 -5.312 2.224 -6.389
278 HD3 PRO 40 HD3 PRO 40 -6.275 3.539 -5.654
279 H VAL 41 H VAL 41 -7.816 -0.285 -2.031
280 HA VAL 41 HA VAL 41 -6.016 -2.432 -1.857
281 HB VAL 41 HB VAL 41 -7.869 -1.820 -0.300
282 HG11 VAL 41 HG11 VAL 41 -9.709 -1.556 -1.961
283 HG12 VAL 41 HG12 VAL 41 -9.716 -3.319 -2.193
284 HG13 VAL 41 HG13 VAL 41 -10.120 -2.624 -0.612
285 HG21 VAL 41 HG21 VAL 41 -7.825 -4.737 -1.136
286 HG22 VAL 41 HG22 VAL 41 -6.750 -3.921 0.034
287 HG23 VAL 41 HG23 VAL 41 -8.465 -4.092 0.387
288 H ASP 42 H ASP 42 -5.907 -4.473 -2.775
289 HA ASP 42 HA ASP 42 -7.087 -4.783 -5.505
290 HB2 ASP 42 HB2 ASP 42 -4.782 -4.011 -5.601
291 HB3 ASP 42 HB3 ASP 42 -4.260 -5.311 -4.536
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -6.915 -9.271 -0.125
2 H2 GLY 1 H2 GLY 1 -7.227 -10.542 0.857
3 H3 GLY 1 H3 GLY 1 -6.531 -10.792 -0.605
4 HA2 GLY 1 HA2 GLY 1 -4.879 -11.001 1.127
5 HA3 GLY 1 HA3 GLY 1 -4.538 -9.625 0.065
6 H THR 2 H THR 2 -3.320 -9.508 2.416
7 HA THR 2 HA THR 2 -4.749 -8.487 4.647
8 HB THR 2 HB THR 2 -1.831 -8.023 3.924
9 HG1 THR 2 HG1 THR 2 -1.505 -9.921 5.103
10 HG21 THR 2 HG21 THR 2 -2.534 -6.660 5.858
11 HG22 THR 2 HG22 THR 2 -3.272 -8.089 6.619
12 HG23 THR 2 HG23 THR 2 -1.511 -7.995 6.394
13 H THR 3 H THR 3 -5.752 -6.565 4.934
14 HA THR 3 HA THR 3 -5.441 -4.383 3.087
15 HB THR 3 HB THR 3 -6.988 -3.357 5.099
16 HG1 THR 3 HG1 THR 3 -8.288 -5.041 5.851
17 HG21 THR 3 HG21 THR 3 -7.629 -3.471 2.815
18 HG22 THR 3 HG22 THR 3 -7.764 -5.249 2.860
19 HG23 THR 3 HG23 THR 3 -8.909 -4.237 3.777
20 H CYS 4 H CYS 4 -5.159 -2.224 3.610
21 HA CYS 4 HA CYS 4 -3.747 -1.551 6.096
22 HB2 CYS 4 HB2 CYS 4 -1.965 -0.404 5.041
23 HB3 CYS 4 HB3 CYS 4 -2.056 -1.981 4.278
24 H TYR 5 H TYR 5 -3.727 0.854 6.507
25 HA TYR 5 HA TYR 5 -5.876 2.349 5.086
26 HB2 TYR 5 HB2 TYR 5 -5.716 2.002 8.104
27 HB3 TYR 5 HB3 TYR 5 -6.766 3.125 7.259
28 HD1 TYR 5 HD1 TYR 5 -6.150 -0.467 7.986
29 HD2 TYR 5 HD2 TYR 5 -8.807 2.417 6.181
30 HE1 TYR 5 HE1 TYR 5 -7.934 -2.199 7.848
31 HE2 TYR 5 HE2 TYR 5 -10.605 0.693 6.086
32 HH TYR 5 HH TYR 5 -10.103 -2.657 7.255
33 H CYS 6 H CYS 6 -5.327 4.390 4.644
34 HA CYS 6 HA CYS 6 -3.653 5.925 6.540
35 HB2 CYS 6 HB2 CYS 6 -2.617 4.838 4.008
36 HB3 CYS 6 HB3 CYS 6 -2.464 6.584 4.082
37 H GLY 7 H GLY 7 -4.291 8.024 6.676
38 HA2 GLY 7 HA2 GLY 7 -5.400 9.995 6.218
39 HA3 GLY 7 HA3 GLY 7 -4.832 9.744 4.565
40 H LYS 8 H LYS 8 -7.284 7.989 6.492
41 HA LYS 8 HA LYS 8 -9.383 7.264 6.054
42 HB2 LYS 8 HB2 LYS 8 -9.609 9.849 6.186
43 HB3 LYS 8 HB3 LYS 8 -9.930 9.759 4.453
44 HG2 LYS 8 HG2 LYS 8 -11.875 8.239 4.936
45 HG3 LYS 8 HG3 LYS 8 -11.498 8.342 6.665
46 HD2 LYS 8 HD2 LYS 8 -11.882 10.789 6.606
47 HD3 LYS 8 HD3 LYS 8 -12.218 10.700 4.863
48 HE2 LYS 8 HE2 LYS 8 -14.131 9.177 5.315
49 HE3 LYS 8 HE3 LYS 8 -13.803 9.279 7.050
50 HZ1 LYS 8 HZ1 LYS 8 -14.557 11.578 5.322
51 HZ2 LYS 8 HZ2 LYS 8 -15.546 10.835 6.384
52 HZ3 LYS 8 HZ3 LYS 8 -14.256 11.672 6.926
53 H THR 9 H THR 9 -7.244 6.653 4.073
54 HA THR 9 HA THR 9 -8.942 5.635 1.838
55 HB THR 9 HB THR 9 -6.016 6.456 1.611
56 HG1 THR 9 HG1 THR 9 -7.309 8.276 1.834
57 HG21 THR 9 HG21 THR 9 -8.115 5.641 -0.450
58 HG22 THR 9 HG22 THR 9 -6.503 6.290 -0.821
59 HG23 THR 9 HG23 THR 9 -6.652 4.731 -0.002
60 H ILE 10 H ILE 10 -9.171 3.554 2.092
61 HA ILE 10 HA ILE 10 -7.268 1.812 3.454
62 HB ILE 10 HB ILE 10 -9.707 1.526 3.594
63 HG12 ILE 10 HG12 ILE 10 -8.325 -0.863 2.295
64 HG13 ILE 10 HG13 ILE 10 -8.291 -0.418 4.006
65 HG21 ILE 10 HG21 ILE 10 -9.600 0.708 0.671
66 HG22 ILE 10 HG22 ILE 10 -11.044 0.812 1.711
67 HG23 ILE 10 HG23 ILE 10 -10.185 2.281 1.254
68 HD11 ILE 10 HD11 ILE 10 -9.896 -2.158 3.792
69 HD12 ILE 10 HD12 ILE 10 -10.830 -0.671 4.016
70 HD13 ILE 10 HD13 ILE 10 -10.674 -1.396 2.398
71 H GLY 11 H GLY 11 -6.006 0.180 2.507
72 HA2 GLY 11 HA2 GLY 11 -5.788 -0.020 -0.445
73 HA3 GLY 11 HA3 GLY 11 -4.363 0.475 0.467
74 H ILE 12 H ILE 12 -3.573 -1.408 -0.633
75 HA ILE 12 HA ILE 12 -3.969 -3.974 0.804
76 HB ILE 12 HB ILE 12 -3.554 -3.269 -1.958
77 HG12 ILE 12 HG12 ILE 12 -5.102 -4.922 -1.237
78 HG13 ILE 12 HG13 ILE 12 -3.966 -5.567 -2.416
79 HG21 ILE 12 HG21 ILE 12 -1.241 -3.285 -1.808
80 HG22 ILE 12 HG22 ILE 12 -1.193 -4.830 -0.904
81 HG23 ILE 12 HG23 ILE 12 -1.735 -4.814 -2.571
82 HD11 ILE 12 HD11 ILE 12 -4.314 -7.287 -0.834
83 HD12 ILE 12 HD12 ILE 12 -2.698 -6.647 -0.483
84 HD13 ILE 12 HD13 ILE 12 -4.094 -6.195 0.531
85 H TYR 13 H TYR 13 -2.278 -4.907 1.873
86 HA TYR 13 HA TYR 13 0.025 -3.125 2.538
87 HB2 TYR 13 HB2 TYR 13 -1.155 -3.981 4.452
88 HB3 TYR 13 HB3 TYR 13 -1.058 -5.624 3.840
89 HD1 TYR 13 HD1 TYR 13 1.342 -2.789 4.571
90 HD2 TYR 13 HD2 TYR 13 0.495 -7.014 4.836
91 HE1 TYR 13 HE1 TYR 13 3.540 -3.167 5.697
92 HE2 TYR 13 HE2 TYR 13 2.667 -7.380 5.978
93 HH TYR 13 HH TYR 13 4.564 -6.434 6.767
94 H TRP 14 H TRP 14 2.000 -3.424 1.814
95 HA TRP 14 HA TRP 14 2.825 -6.047 0.619
96 HB2 TRP 14 HB2 TRP 14 3.584 -3.202 -0.049
97 HB3 TRP 14 HB3 TRP 14 4.577 -4.566 -0.517
98 HD1 TRP 14 HD1 TRP 14 1.323 -2.843 -1.369
99 HE1 TRP 14 HE1 TRP 14 0.318 -3.850 -3.527
100 HE3 TRP 14 HE3 TRP 14 4.548 -6.770 -2.027
101 HZ2 TRP 14 HZ2 TRP 14 0.863 -6.029 -5.299
102 HZ3 TRP 14 HZ3 TRP 14 4.281 -8.298 -3.971
103 HH2 TRP 14 HH2 TRP 14 2.442 -7.946 -5.605
104 H PHE 15 H PHE 15 4.296 -7.147 1.682
105 HA PHE 15 HA PHE 15 5.875 -5.896 3.872
106 HB2 PHE 15 HB2 PHE 15 4.563 -7.808 4.527
107 HB3 PHE 15 HB3 PHE 15 5.162 -8.758 3.179
108 HD1 PHE 15 HD1 PHE 15 6.682 -10.430 3.749
109 HD2 PHE 15 HD2 PHE 15 6.699 -6.761 6.024
110 HE1 PHE 15 HE1 PHE 15 8.519 -11.308 5.167
111 HE2 PHE 15 HE2 PHE 15 8.530 -7.644 7.434
112 HZ PHE 15 HZ PHE 15 9.448 -9.919 7.009
113 H GLY 16 H GLY 16 8.095 -6.001 3.964
114 HA2 GLY 16 HA2 GLY 16 10.280 -6.414 3.357
115 HA3 GLY 16 HA3 GLY 16 9.701 -7.668 2.257
116 H THR 17 H THR 17 8.535 -4.399 1.829
117 HA THR 17 HA THR 17 10.559 -3.659 -0.153
118 HB THR 17 HB THR 17 8.709 -4.880 -1.416
119 HG1 THR 17 HG1 THR 17 9.774 -3.585 -2.695
120 HG21 THR 17 HG21 THR 17 7.043 -2.437 -0.892
121 HG22 THR 17 HG22 THR 17 6.629 -3.883 -1.816
122 HG23 THR 17 HG23 THR 17 6.793 -3.984 -0.049
123 H LYS 18 H LYS 18 10.234 -1.437 -0.826
124 HA LYS 18 HA LYS 18 9.086 0.348 1.303
125 HB2 LYS 18 HB2 LYS 18 11.617 -0.002 1.241
126 HB3 LYS 18 HB3 LYS 18 11.624 0.903 -0.276
127 HG2 LYS 18 HG2 LYS 18 10.724 2.883 0.867
128 HG3 LYS 18 HG3 LYS 18 10.458 1.948 2.345
129 HD2 LYS 18 HD2 LYS 18 12.409 3.329 2.628
130 HD3 LYS 18 HD3 LYS 18 12.917 1.635 2.578
131 HE2 LYS 18 HE2 LYS 18 13.590 1.905 0.202
132 HE3 LYS 18 HE3 LYS 18 13.021 3.580 0.223
133 HZ1 LYS 18 HZ1 LYS 18 15.420 3.455 0.577
134 HZ2 LYS 18 HZ2 LYS 18 14.710 4.062 1.914
135 HZ3 LYS 18 HZ3 LYS 18 15.236 2.513 1.897
136 H THR 19 H THR 19 8.868 -0.473 -1.897
137 HA THR 19 HA THR 19 7.476 2.072 -2.612
138 HB THR 19 HB THR 19 9.699 1.870 -3.756
139 HG1 THR 19 HG1 THR 19 8.815 2.530 -5.696
140 HG21 THR 19 HG21 THR 19 9.925 0.385 -5.670
141 HG22 THR 19 HG22 THR 19 9.656 -0.597 -4.221
142 HG23 THR 19 HG23 THR 19 8.327 -0.332 -5.371
143 H CYS 20 H CYS 20 5.882 1.778 -4.404
144 HA CYS 20 HA CYS 20 4.366 -0.747 -3.980
145 HB2 CYS 20 HB2 CYS 20 3.489 1.970 -4.979
146 HB3 CYS 20 HB3 CYS 20 2.448 0.547 -4.908
147 HA PRO 21 HA PRO 21 5.604 -1.833 -8.145
148 HB2 PRO 21 HB2 PRO 21 4.110 -4.100 -8.522
149 HB3 PRO 21 HB3 PRO 21 5.527 -4.034 -7.425
150 HG2 PRO 21 HG2 PRO 21 2.597 -3.769 -6.715
151 HG3 PRO 21 HG3 PRO 21 3.830 -4.765 -5.897
152 HD2 PRO 21 HD2 PRO 21 3.133 -2.347 -4.924
153 HD3 PRO 21 HD3 PRO 21 4.823 -2.934 -4.848
154 H SER 22 H SER 22 5.072 -0.608 -9.727
155 HA SER 22 HA SER 22 2.715 0.706 -10.253
156 HB2 SER 22 HB2 SER 22 4.737 -0.221 -12.335
157 HB3 SER 22 HB3 SER 22 3.681 1.198 -12.411
158 HG SER 22 HG SER 22 5.806 1.762 -11.760
159 H ASN 23 H ASN 23 3.545 -2.555 -11.278
160 HA ASN 23 HA ASN 23 1.610 -2.784 -13.389
161 HB2 ASN 23 HB2 ASN 23 3.007 -4.997 -11.828
162 HB3 ASN 23 HB3 ASN 23 2.291 -5.112 -13.437
163 HD21 ASN 23 HD21 ASN 23 3.286 -3.420 -15.089
164 HD22 ASN 23 HD22 ASN 23 5.034 -3.289 -14.989
165 H ARG 24 H ARG 24 1.047 -2.738 -10.041
166 HA ARG 24 HA ARG 24 -1.565 -4.201 -10.301
167 HB2 ARG 24 HB2 ARG 24 0.173 -3.356 -7.995
168 HB3 ARG 24 HB3 ARG 24 -1.564 -3.443 -7.753
169 HG2 ARG 24 HG2 ARG 24 -0.666 -5.471 -7.008
170 HG3 ARG 24 HG3 ARG 24 -1.582 -5.817 -8.462
171 HD2 ARG 24 HD2 ARG 24 1.448 -5.470 -8.467
172 HD3 ARG 24 HD3 ARG 24 0.657 -7.009 -8.095
173 HE ARG 24 HE ARG 24 -0.225 -5.803 -10.612
174 HH11 ARG 24 HH11 ARG 24 2.146 -8.008 -9.267
175 HH12 ARG 24 HH12 ARG 24 2.431 -8.765 -10.811
176 HH21 ARG 24 HH21 ARG 24 0.200 -6.762 -12.511
177 HH22 ARG 24 HH22 ARG 24 1.325 -8.092 -12.606
178 H GLY 25 H GLY 25 -0.425 -1.081 -10.814
179 HA2 GLY 25 HA2 GLY 25 -1.667 0.676 -11.624
180 HA3 GLY 25 HA3 GLY 25 -3.154 -0.208 -11.280
181 H TYR 26 H TYR 26 -0.762 0.506 -8.766
182 HA TYR 26 HA TYR 26 -2.690 1.810 -7.093
183 HB2 TYR 26 HB2 TYR 26 0.337 1.688 -6.921
184 HB3 TYR 26 HB3 TYR 26 -0.718 2.240 -5.616
185 HD1 TYR 26 HD1 TYR 26 1.224 -0.464 -6.524
186 HD2 TYR 26 HD2 TYR 26 -2.834 0.407 -5.294
187 HE1 TYR 26 HE1 TYR 26 0.941 -2.789 -5.719
188 HE2 TYR 26 HE2 TYR 26 -3.115 -1.952 -4.578
189 HH TYR 26 HH TYR 26 -2.173 -4.045 -4.567
190 H THR 27 H THR 27 -2.860 3.912 -6.381
191 HA THR 27 HA THR 27 -1.706 6.033 -8.165
192 HB THR 27 HB THR 27 -4.176 5.525 -8.356
193 HG1 THR 27 HG1 THR 27 -3.306 8.129 -7.661
194 HG21 THR 27 HG21 THR 27 -4.409 7.121 -5.770
195 HG22 THR 27 HG22 THR 27 -5.714 6.464 -6.778
196 HG23 THR 27 HG23 THR 27 -4.651 5.368 -5.880
197 H GLY 28 H GLY 28 -1.679 4.885 -4.962
198 HA2 GLY 28 HA2 GLY 28 0.060 7.013 -4.118
199 HA3 GLY 28 HA3 GLY 28 -1.507 7.145 -3.329
200 H SER 29 H SER 29 0.567 6.813 -1.710
201 HA SER 29 HA SER 29 0.342 4.109 -0.594
202 HB2 SER 29 HB2 SER 29 2.685 3.580 -0.775
203 HB3 SER 29 HB3 SER 29 2.028 3.894 -2.392
204 HG SER 29 HG SER 29 2.999 5.925 -2.377
205 H CYS 30 H CYS 30 1.604 3.818 1.402
206 HA CYS 30 HA CYS 30 2.982 6.088 2.553
207 HB2 CYS 30 HB2 CYS 30 1.675 6.438 4.498
208 HB3 CYS 30 HB3 CYS 30 0.520 6.459 3.165
209 H GLY 31 H GLY 31 4.472 5.516 4.188
210 HA2 GLY 31 HA2 GLY 31 5.331 2.787 4.263
211 HA3 GLY 31 HA3 GLY 31 5.875 4.066 5.348
212 H TYR 32 H TYR 32 4.916 1.122 5.702
213 HA TYR 32 HA TYR 32 2.850 1.579 7.819
214 HB2 TYR 32 HB2 TYR 32 2.220 0.587 5.432
215 HB3 TYR 32 HB3 TYR 32 2.868 -0.896 6.102
216 HD1 TYR 32 HD1 TYR 32 1.290 -2.299 7.240
217 HD2 TYR 32 HD2 TYR 32 0.526 1.939 6.913
218 HE1 TYR 32 HE1 TYR 32 -0.980 -2.624 8.218
219 HE2 TYR 32 HE2 TYR 32 -1.714 1.616 7.934
220 HH TYR 32 HH TYR 32 -3.188 0.120 8.874
221 H PHE 33 H PHE 33 2.673 -0.538 9.248
222 HA PHE 33 HA PHE 33 5.187 -0.827 10.567
223 HB2 PHE 33 HB2 PHE 33 2.973 -1.145 11.631
224 HB3 PHE 33 HB3 PHE 33 2.768 -2.632 10.694
225 HD1 PHE 33 HD1 PHE 33 5.364 -1.071 12.965
226 HD2 PHE 33 HD2 PHE 33 3.174 -4.623 11.864
227 HE1 PHE 33 HE1 PHE 33 6.523 -2.346 14.755
228 HE2 PHE 33 HE2 PHE 33 4.320 -5.886 13.670
229 HZ PHE 33 HZ PHE 33 6.002 -4.753 15.109
230 H LEU 34 H LEU 34 6.893 -1.961 10.054
231 HA LEU 34 HA LEU 34 8.363 -3.301 9.101
232 HB2 LEU 34 HB2 LEU 34 6.222 -5.430 9.057
233 HB3 LEU 34 HB3 LEU 34 7.962 -5.689 9.010
234 HG LEU 34 HG LEU 34 6.443 -4.494 11.368
235 HD11 LEU 34 HD11 LEU 34 6.879 -6.660 12.422
236 HD12 LEU 34 HD12 LEU 34 5.915 -6.833 10.941
237 HD13 LEU 34 HD13 LEU 34 7.646 -7.243 10.920
238 HD21 LEU 34 HD21 LEU 34 9.358 -5.344 11.108
239 HD22 LEU 34 HD22 LEU 34 8.758 -3.682 11.334
240 HD23 LEU 34 HD23 LEU 34 8.540 -4.874 12.618
241 H GLY 35 H GLY 35 6.064 -2.119 7.223
242 HA2 GLY 35 HA2 GLY 35 7.439 -2.774 4.703
243 HA3 GLY 35 HA3 GLY 35 5.849 -3.511 4.863
244 H ILE 36 H ILE 36 4.719 -2.419 3.351
245 HA ILE 36 HA ILE 36 4.243 0.489 3.714
246 HB ILE 36 HB ILE 36 6.003 0.608 2.218
247 HG12 ILE 36 HG12 ILE 36 3.584 0.605 0.374
248 HG13 ILE 36 HG13 ILE 36 3.880 1.837 1.574
249 HG21 ILE 36 HG21 ILE 36 4.780 -1.457 0.363
250 HG22 ILE 36 HG22 ILE 36 6.347 -0.647 0.210
251 HG23 ILE 36 HG23 ILE 36 6.097 -1.815 1.496
252 HD11 ILE 36 HD11 ILE 36 4.663 2.682 -0.514
253 HD12 ILE 36 HD12 ILE 36 6.087 2.334 0.475
254 HD13 ILE 36 HD13 ILE 36 5.597 1.212 -0.835
255 H CYS 37 H CYS 37 2.362 1.275 2.984
256 HA CYS 37 HA CYS 37 0.182 -0.628 2.275
257 HB2 CYS 37 HB2 CYS 37 -0.084 0.721 4.302
258 HB3 CYS 37 HB3 CYS 37 0.345 2.177 3.424
259 H CYS 38 H CYS 38 -0.645 -0.518 0.239
260 HA CYS 38 HA CYS 38 0.006 1.781 -1.571
261 HB2 CYS 38 HB2 CYS 38 -0.094 -1.166 -2.223
262 HB3 CYS 38 HB3 CYS 38 0.215 0.123 -3.373
263 H TYR 39 H TYR 39 -1.765 2.596 -2.657
264 HA TYR 39 HA TYR 39 -4.324 1.101 -2.471
265 HB2 TYR 39 HB2 TYR 39 -5.476 3.197 -1.752
266 HB3 TYR 39 HB3 TYR 39 -4.464 2.402 -0.582
267 HD1 TYR 39 HD1 TYR 39 -2.697 3.511 0.525
268 HD2 TYR 39 HD2 TYR 39 -4.675 5.352 -2.843
269 HE1 TYR 39 HE1 TYR 39 -1.682 5.701 1.131
270 HE2 TYR 39 HE2 TYR 39 -3.679 7.552 -2.213
271 HH TYR 39 HH TYR 39 -1.486 7.927 0.594
272 HA PRO 40 HA PRO 40 -6.750 1.905 -2.949
273 HB2 PRO 40 HB2 PRO 40 -8.394 0.769 -4.791
274 HB3 PRO 40 HB3 PRO 40 -8.220 2.540 -4.602
275 HG2 PRO 40 HG2 PRO 40 -6.770 0.735 -6.580
276 HG3 PRO 40 HG3 PRO 40 -7.699 2.232 -6.932
277 HD2 PRO 40 HD2 PRO 40 -5.011 2.314 -6.632
278 HD3 PRO 40 HD3 PRO 40 -6.044 3.601 -5.943
279 H VAL 41 H VAL 41 -7.702 -0.115 -2.295
280 HA VAL 41 HA VAL 41 -5.935 -2.319 -2.056
281 HB VAL 41 HB VAL 41 -7.691 -1.628 -0.447
282 HG11 VAL 41 HG11 VAL 41 -9.568 -1.220 -2.029
283 HG12 VAL 41 HG12 VAL 41 -9.704 -2.974 -2.280
284 HG13 VAL 41 HG13 VAL 41 -10.000 -2.275 -0.678
285 HG21 VAL 41 HG21 VAL 41 -6.706 -3.820 -0.184
286 HG22 VAL 41 HG22 VAL 41 -8.409 -3.854 0.258
287 HG23 VAL 41 HG23 VAL 41 -7.902 -4.535 -1.299
288 H ASP 42 H ASP 42 -5.875 -4.350 -2.979
289 HA ASP 42 HA ASP 42 -7.310 -4.739 -5.571
290 HB2 ASP 42 HB2 ASP 42 -4.891 -4.449 -5.796
291 HB3 ASP 42 HB3 ASP 42 -4.606 -5.779 -4.680
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -7.031 -13.609 3.994
2 H2 GLY 1 H2 GLY 1 -6.871 -12.944 5.484
3 H3 GLY 1 H3 GLY 1 -5.574 -13.050 4.490
4 HA2 GLY 1 HA2 GLY 1 -6.555 -11.502 2.932
5 HA3 GLY 1 HA3 GLY 1 -7.969 -11.397 3.999
6 H THR 2 H THR 2 -5.633 -9.513 3.075
7 HA THR 2 HA THR 2 -5.044 -8.319 5.747
8 HB THR 2 HB THR 2 -2.925 -8.617 3.594
9 HG1 THR 2 HG1 THR 2 -2.101 -10.302 4.818
10 HG21 THR 2 HG21 THR 2 -2.468 -6.860 5.275
11 HG22 THR 2 HG22 THR 2 -2.783 -8.014 6.589
12 HG23 THR 2 HG23 THR 2 -1.384 -8.232 5.518
13 H THR 3 H THR 3 -4.813 -6.095 5.772
14 HA THR 3 HA THR 3 -5.270 -4.503 3.304
15 HB THR 3 HB THR 3 -6.901 -3.322 5.222
16 HG1 THR 3 HG1 THR 3 -8.271 -4.931 5.953
17 HG21 THR 3 HG21 THR 3 -7.464 -3.487 2.908
18 HG22 THR 3 HG22 THR 3 -7.595 -5.261 2.992
19 HG23 THR 3 HG23 THR 3 -8.778 -4.234 3.834
20 H CYS 4 H CYS 4 -5.141 -2.144 3.708
21 HA CYS 4 HA CYS 4 -3.697 -1.371 6.149
22 HB2 CYS 4 HB2 CYS 4 -1.947 -0.252 5.050
23 HB3 CYS 4 HB3 CYS 4 -2.007 -1.851 4.333
24 H TYR 5 H TYR 5 -3.734 0.982 6.582
25 HA TYR 5 HA TYR 5 -5.841 2.476 5.077
26 HB2 TYR 5 HB2 TYR 5 -5.670 2.159 8.091
27 HB3 TYR 5 HB3 TYR 5 -6.682 3.329 7.265
28 HD1 TYR 5 HD1 TYR 5 -6.284 -0.216 8.153
29 HD2 TYR 5 HD2 TYR 5 -8.673 2.648 5.975
30 HE1 TYR 5 HE1 TYR 5 -8.163 -1.848 8.068
31 HE2 TYR 5 HE2 TYR 5 -10.568 1.027 5.937
32 HH TYR 5 HH TYR 5 -10.326 -2.230 7.418
33 H CYS 6 H CYS 6 -5.382 4.509 4.640
34 HA CYS 6 HA CYS 6 -3.676 6.126 6.438
35 HB2 CYS 6 HB2 CYS 6 -2.785 5.176 3.761
36 HB3 CYS 6 HB3 CYS 6 -2.573 6.895 4.038
37 H GLY 7 H GLY 7 -4.414 8.192 6.606
38 HA2 GLY 7 HA2 GLY 7 -5.641 10.101 6.210
39 HA3 GLY 7 HA3 GLY 7 -5.261 9.838 4.506
40 H LYS 8 H LYS 8 -7.302 7.802 6.593
41 HA LYS 8 HA LYS 8 -9.333 6.865 6.310
42 HB2 LYS 8 HB2 LYS 8 -9.830 9.362 6.799
43 HB3 LYS 8 HB3 LYS 8 -10.402 9.420 5.130
44 HG2 LYS 8 HG2 LYS 8 -12.021 7.602 5.640
45 HG3 LYS 8 HG3 LYS 8 -11.426 7.500 7.293
46 HD2 LYS 8 HD2 LYS 8 -12.574 10.103 6.193
47 HD3 LYS 8 HD3 LYS 8 -13.615 8.794 6.727
48 HE2 LYS 8 HE2 LYS 8 -13.486 10.213 8.570
49 HE3 LYS 8 HE3 LYS 8 -12.495 8.813 8.973
50 HZ1 LYS 8 HZ1 LYS 8 -11.441 11.430 8.017
51 HZ2 LYS 8 HZ2 LYS 8 -11.438 10.935 9.569
52 HZ3 LYS 8 HZ3 LYS 8 -10.523 10.151 8.476
53 H THR 9 H THR 9 -7.438 6.702 4.103
54 HA THR 9 HA THR 9 -9.242 5.622 1.983
55 HB THR 9 HB THR 9 -6.334 6.495 1.661
56 HG1 THR 9 HG1 THR 9 -7.739 8.257 1.846
57 HG21 THR 9 HG21 THR 9 -6.905 4.693 0.110
58 HG22 THR 9 HG22 THR 9 -8.406 5.526 -0.358
59 HG23 THR 9 HG23 THR 9 -6.822 6.225 -0.760
60 H ILE 10 H ILE 10 -9.100 3.475 1.691
61 HA ILE 10 HA ILE 10 -7.240 1.880 3.366
62 HB ILE 10 HB ILE 10 -9.631 1.525 3.645
63 HG12 ILE 10 HG12 ILE 10 -8.267 -0.872 2.345
64 HG13 ILE 10 HG13 ILE 10 -8.190 -0.386 4.043
65 HG21 ILE 10 HG21 ILE 10 -10.327 2.221 1.395
66 HG22 ILE 10 HG22 ILE 10 -9.674 0.703 0.731
67 HG23 ILE 10 HG23 ILE 10 -11.055 0.691 1.861
68 HD11 ILE 10 HD11 ILE 10 -10.575 -1.495 2.532
69 HD12 ILE 10 HD12 ILE 10 -9.752 -2.159 3.952
70 HD13 ILE 10 HD13 ILE 10 -10.736 -0.697 4.115
71 H GLY 11 H GLY 11 -5.950 0.261 2.508
72 HA2 GLY 11 HA2 GLY 11 -5.773 -0.103 -0.436
73 HA3 GLY 11 HA3 GLY 11 -4.348 0.433 0.447
74 H ILE 12 H ILE 12 -3.535 -1.472 -0.548
75 HA ILE 12 HA ILE 12 -3.941 -3.965 1.002
76 HB ILE 12 HB ILE 12 -3.616 -3.431 -1.785
77 HG12 ILE 12 HG12 ILE 12 -5.063 -5.090 -0.909
78 HG13 ILE 12 HG13 ILE 12 -3.959 -5.770 -2.092
79 HG21 ILE 12 HG21 ILE 12 -1.742 -4.902 -2.397
80 HG22 ILE 12 HG22 ILE 12 -1.286 -3.331 -1.685
81 HG23 ILE 12 HG23 ILE 12 -1.157 -4.850 -0.745
82 HD11 ILE 12 HD11 ILE 12 -2.579 -6.804 -0.341
83 HD12 ILE 12 HD12 ILE 12 -3.635 -6.129 0.917
84 HD13 ILE 12 HD13 ILE 12 -4.267 -7.327 -0.222
85 H TYR 13 H TYR 13 -2.191 -4.881 2.081
86 HA TYR 13 HA TYR 13 0.097 -3.052 2.638
87 HB2 TYR 13 HB2 TYR 13 -1.013 -3.801 4.620
88 HB3 TYR 13 HB3 TYR 13 -1.010 -5.469 4.063
89 HD1 TYR 13 HD1 TYR 13 1.496 -2.696 4.670
90 HD2 TYR 13 HD2 TYR 13 0.561 -6.899 4.995
91 HE1 TYR 13 HE1 TYR 13 3.733 -3.122 5.697
92 HE2 TYR 13 HE2 TYR 13 2.768 -7.311 6.050
93 HH TYR 13 HH TYR 13 4.723 -6.415 6.728
94 H TRP 14 H TRP 14 2.048 -3.396 1.884
95 HA TRP 14 HA TRP 14 2.804 -6.044 0.697
96 HB2 TRP 14 HB2 TRP 14 3.582 -3.219 -0.038
97 HB3 TRP 14 HB3 TRP 14 4.537 -4.598 -0.523
98 HD1 TRP 14 HD1 TRP 14 1.290 -2.856 -1.304
99 HE1 TRP 14 HE1 TRP 14 0.237 -3.875 -3.425
100 HE3 TRP 14 HE3 TRP 14 4.408 -6.878 -1.933
101 HZ2 TRP 14 HZ2 TRP 14 0.642 -6.146 -5.118
102 HZ3 TRP 14 HZ3 TRP 14 4.032 -8.468 -3.807
103 HH2 TRP 14 HH2 TRP 14 2.154 -8.122 -5.397
104 H PHE 15 H PHE 15 4.270 -7.158 1.723
105 HA PHE 15 HA PHE 15 5.864 -5.962 3.926
106 HB2 PHE 15 HB2 PHE 15 4.496 -7.857 4.528
107 HB3 PHE 15 HB3 PHE 15 5.089 -8.791 3.170
108 HD1 PHE 15 HD1 PHE 15 6.368 -10.601 3.858
109 HD2 PHE 15 HD2 PHE 15 6.796 -6.860 5.967
110 HE1 PHE 15 HE1 PHE 15 8.120 -11.605 5.299
111 HE2 PHE 15 HE2 PHE 15 8.544 -7.868 7.399
112 HZ PHE 15 HZ PHE 15 9.212 -10.243 7.072
113 H GLY 16 H GLY 16 8.068 -6.017 3.999
114 HA2 GLY 16 HA2 GLY 16 10.260 -6.449 3.422
115 HA3 GLY 16 HA3 GLY 16 9.698 -7.729 2.343
116 H THR 17 H THR 17 8.459 -4.524 1.819
117 HA THR 17 HA THR 17 10.500 -3.759 -0.146
118 HB THR 17 HB THR 17 8.682 -4.944 -1.443
119 HG1 THR 17 HG1 THR 17 8.515 -3.211 -2.909
120 HG21 THR 17 HG21 THR 17 6.757 -4.147 -0.008
121 HG22 THR 17 HG22 THR 17 6.936 -2.581 -0.834
122 HG23 THR 17 HG23 THR 17 6.561 -4.031 -1.769
123 H LYS 18 H LYS 18 10.149 -1.526 -0.796
124 HA LYS 18 HA LYS 18 8.924 0.216 1.313
125 HB2 LYS 18 HB2 LYS 18 11.567 -0.171 1.287
126 HB3 LYS 18 HB3 LYS 18 11.512 0.959 -0.058
127 HG2 LYS 18 HG2 LYS 18 11.745 2.494 1.577
128 HG3 LYS 18 HG3 LYS 18 9.997 2.347 1.713
129 HD2 LYS 18 HD2 LYS 18 12.060 0.842 3.390
130 HD3 LYS 18 HD3 LYS 18 11.218 2.286 3.922
131 HE2 LYS 18 HE2 LYS 18 9.778 -0.301 3.173
132 HE3 LYS 18 HE3 LYS 18 10.366 0.039 4.797
133 HZ1 LYS 18 HZ1 LYS 18 8.953 1.972 4.911
134 HZ2 LYS 18 HZ2 LYS 18 8.426 1.780 3.376
135 HZ3 LYS 18 HZ3 LYS 18 8.026 0.682 4.530
136 H THR 19 H THR 19 8.825 -0.563 -1.814
137 HA THR 19 HA THR 19 7.432 1.951 -2.581
138 HB THR 19 HB THR 19 9.696 1.828 -3.685
139 HG1 THR 19 HG1 THR 19 8.817 2.497 -5.628
140 HG21 THR 19 HG21 THR 19 8.397 -0.377 -5.357
141 HG22 THR 19 HG22 THR 19 9.983 0.379 -5.621
142 HG23 THR 19 HG23 THR 19 9.716 -0.632 -4.192
143 H CYS 20 H CYS 20 5.864 1.610 -4.371
144 HA CYS 20 HA CYS 20 4.438 -0.963 -3.981
145 HB2 CYS 20 HB2 CYS 20 3.512 1.671 -5.163
146 HB3 CYS 20 HB3 CYS 20 2.513 0.228 -4.975
147 HA PRO 21 HA PRO 21 5.752 -2.322 -8.022
148 HB2 PRO 21 HB2 PRO 21 3.911 -4.312 -8.510
149 HB3 PRO 21 HB3 PRO 21 5.242 -4.469 -7.321
150 HG2 PRO 21 HG2 PRO 21 2.367 -3.667 -6.806
151 HG3 PRO 21 HG3 PRO 21 3.326 -4.879 -5.914
152 HD2 PRO 21 HD2 PRO 21 3.057 -2.396 -4.947
153 HD3 PRO 21 HD3 PRO 21 4.633 -3.240 -4.834
154 H SER 22 H SER 22 5.575 -1.089 -9.673
155 HA SER 22 HA SER 22 3.553 0.700 -10.202
156 HB2 SER 22 HB2 SER 22 5.572 -0.370 -12.209
157 HB3 SER 22 HB3 SER 22 4.788 1.219 -12.208
158 HG SER 22 HG SER 22 6.905 1.310 -11.333
159 H ASN 23 H ASN 23 3.841 -2.547 -11.555
160 HA ASN 23 HA ASN 23 1.937 -2.123 -13.714
161 HB2 ASN 23 HB2 ASN 23 3.160 -4.655 -12.533
162 HB3 ASN 23 HB3 ASN 23 2.182 -4.598 -13.995
163 HD21 ASN 23 HD21 ASN 23 5.365 -4.634 -12.974
164 HD22 ASN 23 HD22 ASN 23 6.069 -3.880 -14.396
165 H ARG 24 H ARG 24 1.377 -2.437 -10.390
166 HA ARG 24 HA ARG 24 -1.090 -4.031 -10.597
167 HB2 ARG 24 HB2 ARG 24 0.761 -3.830 -8.659
168 HB3 ARG 24 HB3 ARG 24 -0.260 -2.495 -8.161
169 HG2 ARG 24 HG2 ARG 24 -1.298 -4.121 -6.972
170 HG3 ARG 24 HG3 ARG 24 -2.195 -4.404 -8.448
171 HD2 ARG 24 HD2 ARG 24 0.373 -5.847 -7.637
172 HD3 ARG 24 HD3 ARG 24 -1.228 -6.459 -7.289
173 HE ARG 24 HE ARG 24 0.184 -6.528 -9.839
174 HH11 ARG 24 HH11 ARG 24 -3.088 -6.698 -8.472
175 HH12 ARG 24 HH12 ARG 24 -3.670 -7.565 -9.866
176 HH21 ARG 24 HH21 ARG 24 -0.689 -7.623 -11.554
177 HH22 ARG 24 HH22 ARG 24 -2.372 -8.060 -11.544
178 H GLY 25 H GLY 25 -0.404 -0.740 -11.079
179 HA2 GLY 25 HA2 GLY 25 -1.864 0.911 -11.776
180 HA3 GLY 25 HA3 GLY 25 -3.234 -0.138 -11.415
181 H TYR 26 H TYR 26 -0.822 0.695 -8.938
182 HA TYR 26 HA TYR 26 -2.828 1.770 -7.179
183 HB2 TYR 26 HB2 TYR 26 0.208 1.782 -7.038
184 HB3 TYR 26 HB3 TYR 26 -0.830 2.367 -5.743
185 HD1 TYR 26 HD1 TYR 26 1.096 -0.388 -6.605
186 HD2 TYR 26 HD2 TYR 26 -2.900 0.581 -5.258
187 HE1 TYR 26 HE1 TYR 26 0.845 -2.653 -5.618
188 HE2 TYR 26 HE2 TYR 26 -3.137 -1.708 -4.335
189 HH TYR 26 HH TYR 26 -2.220 -3.767 -4.194
190 H THR 27 H THR 27 -3.133 3.835 -6.365
191 HA THR 27 HA THR 27 -2.258 6.073 -8.158
192 HB THR 27 HB THR 27 -4.718 5.439 -7.990
193 HG1 THR 27 HG1 THR 27 -3.862 8.079 -7.424
194 HG21 THR 27 HG21 THR 27 -4.813 5.298 -5.462
195 HG22 THR 27 HG22 THR 27 -4.627 7.060 -5.408
196 HG23 THR 27 HG23 THR 27 -6.039 6.338 -6.207
197 H GLY 28 H GLY 28 -1.853 4.848 -4.978
198 HA2 GLY 28 HA2 GLY 28 0.002 6.921 -4.292
199 HA3 GLY 28 HA3 GLY 28 -1.494 7.130 -3.387
200 H SER 29 H SER 29 0.629 6.759 -1.900
201 HA SER 29 HA SER 29 0.354 4.098 -0.698
202 HB2 SER 29 HB2 SER 29 2.669 3.496 -0.899
203 HB3 SER 29 HB3 SER 29 2.003 3.783 -2.516
204 HG SER 29 HG SER 29 3.036 5.783 -2.570
205 H CYS 30 H CYS 30 1.612 3.834 1.293
206 HA CYS 30 HA CYS 30 3.007 6.125 2.393
207 HB2 CYS 30 HB2 CYS 30 1.658 6.430 4.374
208 HB3 CYS 30 HB3 CYS 30 0.610 6.614 2.964
209 H GLY 31 H GLY 31 4.481 5.576 4.053
210 HA2 GLY 31 HA2 GLY 31 5.367 2.866 4.146
211 HA3 GLY 31 HA3 GLY 31 5.882 4.153 5.239
212 H TYR 32 H TYR 32 5.054 1.190 5.615
213 HA TYR 32 HA TYR 32 3.026 1.576 7.776
214 HB2 TYR 32 HB2 TYR 32 2.456 0.498 5.336
215 HB3 TYR 32 HB3 TYR 32 2.989 -0.943 6.172
216 HD1 TYR 32 HD1 TYR 32 1.299 -2.137 7.390
217 HD2 TYR 32 HD2 TYR 32 0.772 2.067 6.554
218 HE1 TYR 32 HE1 TYR 32 -1.037 -2.256 8.241
219 HE2 TYR 32 HE2 TYR 32 -1.558 1.944 7.420
220 HH TYR 32 HH TYR 32 -2.974 -1.093 8.673
221 H PHE 33 H PHE 33 2.949 -0.403 9.266
222 HA PHE 33 HA PHE 33 5.500 -0.820 10.444
223 HB2 PHE 33 HB2 PHE 33 3.330 -1.064 11.604
224 HB3 PHE 33 HB3 PHE 33 2.998 -2.506 10.634
225 HD1 PHE 33 HD1 PHE 33 5.834 -1.216 12.794
226 HD2 PHE 33 HD2 PHE 33 3.243 -4.519 11.790
227 HE1 PHE 33 HE1 PHE 33 6.954 -2.621 14.507
228 HE2 PHE 33 HE2 PHE 33 4.354 -5.911 13.519
229 HZ PHE 33 HZ PHE 33 6.216 -4.969 14.873
230 H LEU 34 H LEU 34 7.129 -2.090 9.934
231 HA LEU 34 HA LEU 34 8.499 -3.499 8.921
232 HB2 LEU 34 HB2 LEU 34 6.202 -5.457 8.805
233 HB3 LEU 34 HB3 LEU 34 7.913 -5.845 8.729
234 HG LEU 34 HG LEU 34 6.517 -4.638 11.152
235 HD11 LEU 34 HD11 LEU 34 6.758 -6.885 12.102
236 HD12 LEU 34 HD12 LEU 34 5.767 -6.896 10.629
237 HD13 LEU 34 HD13 LEU 34 7.451 -7.465 10.564
238 HD21 LEU 34 HD21 LEU 34 9.336 -5.747 10.821
239 HD22 LEU 34 HD22 LEU 34 8.901 -4.047 11.122
240 HD23 LEU 34 HD23 LEU 34 8.580 -5.265 12.359
241 H GLY 35 H GLY 35 6.243 -2.098 7.083
242 HA2 GLY 35 HA2 GLY 35 7.599 -2.725 4.550
243 HA3 GLY 35 HA3 GLY 35 6.010 -3.461 4.695
244 H ILE 36 H ILE 36 4.757 -2.377 3.333
245 HA ILE 36 HA ILE 36 4.319 0.534 3.657
246 HB ILE 36 HB ILE 36 6.038 0.656 2.114
247 HG12 ILE 36 HG12 ILE 36 3.586 0.610 0.324
248 HG13 ILE 36 HG13 ILE 36 3.904 1.867 1.495
249 HG21 ILE 36 HG21 ILE 36 6.344 -0.638 0.109
250 HG22 ILE 36 HG22 ILE 36 6.136 -1.782 1.424
251 HG23 ILE 36 HG23 ILE 36 4.787 -1.453 0.321
252 HD11 ILE 36 HD11 ILE 36 5.564 1.188 -0.943
253 HD12 ILE 36 HD12 ILE 36 4.661 2.678 -0.620
254 HD13 ILE 36 HD13 ILE 36 6.104 2.321 0.335
255 H CYS 37 H CYS 37 2.412 1.312 2.928
256 HA CYS 37 HA CYS 37 0.226 -0.608 2.285
257 HB2 CYS 37 HB2 CYS 37 -0.041 0.728 4.281
258 HB3 CYS 37 HB3 CYS 37 0.425 2.184 3.430
259 H CYS 38 H CYS 38 -0.626 -0.534 0.256
260 HA CYS 38 HA CYS 38 -0.021 1.753 -1.588
261 HB2 CYS 38 HB2 CYS 38 -0.112 -1.203 -2.211
262 HB3 CYS 38 HB3 CYS 38 0.185 0.075 -3.375
263 H TYR 39 H TYR 39 -1.818 2.542 -2.636
264 HA TYR 39 HA TYR 39 -4.381 1.066 -2.332
265 HB2 TYR 39 HB2 TYR 39 -5.490 3.165 -1.584
266 HB3 TYR 39 HB3 TYR 39 -4.413 2.406 -0.448
267 HD1 TYR 39 HD1 TYR 39 -2.574 3.537 0.517
268 HD2 TYR 39 HD2 TYR 39 -4.779 5.313 -2.742
269 HE1 TYR 39 HE1 TYR 39 -1.530 5.741 1.014
270 HE2 TYR 39 HE2 TYR 39 -3.732 7.518 -2.240
271 HH TYR 39 HH TYR 39 -1.353 7.949 0.404
272 HA PRO 40 HA PRO 40 -6.790 1.791 -2.713
273 HB2 PRO 40 HB2 PRO 40 -8.525 0.703 -4.489
274 HB3 PRO 40 HB3 PRO 40 -8.347 2.470 -4.271
275 HG2 PRO 40 HG2 PRO 40 -7.010 0.711 -6.367
276 HG3 PRO 40 HG3 PRO 40 -7.948 2.218 -6.633
277 HD2 PRO 40 HD2 PRO 40 -5.241 2.261 -6.473
278 HD3 PRO 40 HD3 PRO 40 -6.226 3.560 -5.742
279 H VAL 41 H VAL 41 -7.702 -0.287 -2.107
280 HA VAL 41 HA VAL 41 -5.901 -2.417 -1.940
281 HB VAL 41 HB VAL 41 -7.768 -1.811 -0.399
282 HG11 VAL 41 HG11 VAL 41 -9.601 -3.312 -2.300
283 HG12 VAL 41 HG12 VAL 41 -10.014 -2.612 -0.724
284 HG13 VAL 41 HG13 VAL 41 -9.596 -1.549 -2.072
285 HG21 VAL 41 HG21 VAL 41 -6.660 -3.896 -0.034
286 HG22 VAL 41 HG22 VAL 41 -8.381 -4.096 0.264
287 HG23 VAL 41 HG23 VAL 41 -7.685 -4.722 -1.243
288 H ASP 42 H ASP 42 -5.707 -4.410 -2.921
289 HA ASP 42 HA ASP 42 -6.125 -4.413 -5.754
290 HB2 ASP 42 HB2 ASP 42 -4.115 -5.279 -4.590
291 HB3 ASP 42 HB3 ASP 42 -5.072 -6.612 -3.951
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -6.111 -13.288 3.646
2 H2 GLY 1 H2 GLY 1 -6.861 -12.107 4.499
3 H3 GLY 1 H3 GLY 1 -5.621 -12.936 5.170
4 HA2 GLY 1 HA2 GLY 1 -4.062 -12.036 3.569
5 HA3 GLY 1 HA3 GLY 1 -5.406 -11.132 2.847
6 H THR 2 H THR 2 -3.667 -9.412 3.378
7 HA THR 2 HA THR 2 -4.272 -8.203 6.054
8 HB THR 2 HB THR 2 -1.575 -8.036 4.672
9 HG1 THR 2 HG1 THR 2 -1.885 -10.107 5.468
10 HG21 THR 2 HG21 THR 2 -0.837 -7.170 6.878
11 HG22 THR 2 HG22 THR 2 -2.060 -6.115 6.164
12 HG23 THR 2 HG23 THR 2 -2.511 -7.233 7.469
13 H THR 3 H THR 3 -5.137 -6.273 5.933
14 HA THR 3 HA THR 3 -5.065 -4.687 3.412
15 HB THR 3 HB THR 3 -6.994 -4.160 5.653
16 HG1 THR 3 HG1 THR 3 -7.331 -6.219 3.728
17 HG21 THR 3 HG21 THR 3 -7.171 -4.039 2.617
18 HG22 THR 3 HG22 THR 3 -8.552 -3.801 3.702
19 HG23 THR 3 HG23 THR 3 -7.188 -2.679 3.766
20 H CYS 4 H CYS 4 -5.139 -2.277 3.731
21 HA CYS 4 HA CYS 4 -3.711 -1.336 6.171
22 HB2 CYS 4 HB2 CYS 4 -1.928 -0.404 5.030
23 HB3 CYS 4 HB3 CYS 4 -2.103 -1.992 4.317
24 H TYR 5 H TYR 5 -3.694 1.039 6.410
25 HA TYR 5 HA TYR 5 -5.831 2.481 4.922
26 HB2 TYR 5 HB2 TYR 5 -5.689 2.220 7.950
27 HB3 TYR 5 HB3 TYR 5 -6.701 3.362 7.089
28 HD1 TYR 5 HD1 TYR 5 -6.206 -0.226 7.895
29 HD2 TYR 5 HD2 TYR 5 -8.777 2.702 6.037
30 HE1 TYR 5 HE1 TYR 5 -8.057 -1.887 7.843
31 HE2 TYR 5 HE2 TYR 5 -10.640 1.044 6.019
32 HH TYR 5 HH TYR 5 -10.247 -2.282 7.299
33 H CYS 6 H CYS 6 -5.288 4.524 4.436
34 HA CYS 6 HA CYS 6 -3.676 6.104 6.352
35 HB2 CYS 6 HB2 CYS 6 -2.641 5.168 3.728
36 HB3 CYS 6 HB3 CYS 6 -2.447 6.890 4.010
37 H GLY 7 H GLY 7 -4.389 8.181 6.510
38 HA2 GLY 7 HA2 GLY 7 -5.626 10.085 6.104
39 HA3 GLY 7 HA3 GLY 7 -5.164 9.867 4.412
40 H LYS 8 H LYS 8 -7.269 7.804 6.407
41 HA LYS 8 HA LYS 8 -9.267 6.809 6.027
42 HB2 LYS 8 HB2 LYS 8 -10.120 9.506 4.940
43 HB3 LYS 8 HB3 LYS 8 -11.192 8.194 5.438
44 HG2 LYS 8 HG2 LYS 8 -10.271 8.312 7.750
45 HG3 LYS 8 HG3 LYS 8 -9.271 9.696 7.267
46 HD2 LYS 8 HD2 LYS 8 -11.311 10.975 6.675
47 HD3 LYS 8 HD3 LYS 8 -12.317 9.592 7.164
48 HE2 LYS 8 HE2 LYS 8 -11.379 9.728 9.463
49 HE3 LYS 8 HE3 LYS 8 -10.382 11.105 8.978
50 HZ1 LYS 8 HZ1 LYS 8 -12.433 12.343 8.519
51 HZ2 LYS 8 HZ2 LYS 8 -13.355 11.069 8.968
52 HZ3 LYS 8 HZ3 LYS 8 -12.425 11.833 10.068
53 H THR 9 H THR 9 -7.256 6.743 3.843
54 HA THR 9 HA THR 9 -8.970 5.651 1.660
55 HB THR 9 HB THR 9 -6.068 6.558 1.438
56 HG1 THR 9 HG1 THR 9 -7.481 8.313 1.672
57 HG21 THR 9 HG21 THR 9 -6.658 4.799 -0.171
58 HG22 THR 9 HG22 THR 9 -8.128 5.683 -0.640
59 HG23 THR 9 HG23 THR 9 -6.523 6.359 -0.992
60 H ILE 10 H ILE 10 -9.167 3.573 1.974
61 HA ILE 10 HA ILE 10 -7.250 1.890 3.377
62 HB ILE 10 HB ILE 10 -9.712 1.633 3.474
63 HG12 ILE 10 HG12 ILE 10 -8.293 -0.829 2.373
64 HG13 ILE 10 HG13 ILE 10 -8.311 -0.279 4.054
65 HG21 ILE 10 HG21 ILE 10 -10.072 2.233 1.058
66 HG22 ILE 10 HG22 ILE 10 -9.507 0.604 0.630
67 HG23 ILE 10 HG23 ILE 10 -10.987 0.823 1.600
68 HD11 ILE 10 HD11 ILE 10 -10.857 -0.511 3.992
69 HD12 ILE 10 HD12 ILE 10 -10.649 -1.350 2.435
70 HD13 ILE 10 HD13 ILE 10 -9.933 -2.016 3.910
71 H GLY 11 H GLY 11 -5.976 0.242 2.487
72 HA2 GLY 11 HA2 GLY 11 -5.686 0.002 -0.456
73 HA3 GLY 11 HA3 GLY 11 -4.288 0.495 0.494
74 H ILE 12 H ILE 12 -3.593 -1.454 -0.680
75 HA ILE 12 HA ILE 12 -4.028 -3.959 0.837
76 HB ILE 12 HB ILE 12 -3.653 -3.355 -1.937
77 HG12 ILE 12 HG12 ILE 12 -5.168 -4.993 -1.140
78 HG13 ILE 12 HG13 ILE 12 -4.055 -5.682 -2.313
79 HG21 ILE 12 HG21 ILE 12 -1.329 -3.323 -1.811
80 HG22 ILE 12 HG22 ILE 12 -1.247 -4.867 -0.911
81 HG23 ILE 12 HG23 ILE 12 -1.820 -4.854 -2.573
82 HD11 ILE 12 HD11 ILE 12 -4.425 -7.293 -0.541
83 HD12 ILE 12 HD12 ILE 12 -2.740 -6.747 -0.480
84 HD13 ILE 12 HD13 ILE 12 -3.926 -6.133 0.695
85 H TYR 13 H TYR 13 -2.328 -4.940 1.914
86 HA TYR 13 HA TYR 13 -0.022 -3.170 2.560
87 HB2 TYR 13 HB2 TYR 13 -1.172 -4.012 4.483
88 HB3 TYR 13 HB3 TYR 13 -1.127 -5.658 3.863
89 HD1 TYR 13 HD1 TYR 13 1.206 -2.838 4.768
90 HD2 TYR 13 HD2 TYR 13 0.600 -7.105 4.512
91 HE1 TYR 13 HE1 TYR 13 3.458 -3.225 5.770
92 HE2 TYR 13 HE2 TYR 13 2.834 -7.486 5.520
93 HH TYR 13 HH TYR 13 4.688 -6.544 6.376
94 H TRP 14 H TRP 14 1.939 -3.467 1.829
95 HA TRP 14 HA TRP 14 2.791 -6.103 0.680
96 HB2 TRP 14 HB2 TRP 14 3.466 -3.262 -0.094
97 HB3 TRP 14 HB3 TRP 14 4.459 -4.647 -0.558
98 HD1 TRP 14 HD1 TRP 14 1.240 -2.894 -1.387
99 HE1 TRP 14 HE1 TRP 14 0.211 -3.905 -3.541
100 HE3 TRP 14 HE3 TRP 14 4.385 -6.890 -2.008
101 HZ2 TRP 14 HZ2 TRP 14 0.716 -6.114 -5.291
102 HZ3 TRP 14 HZ3 TRP 14 4.098 -8.425 -3.942
103 HH2 TRP 14 HH2 TRP 14 2.268 -8.056 -5.581
104 H PHE 15 H PHE 15 4.598 -7.037 1.469
105 HA PHE 15 HA PHE 15 5.981 -5.770 3.779
106 HB2 PHE 15 HB2 PHE 15 4.978 -7.906 4.228
107 HB3 PHE 15 HB3 PHE 15 5.715 -8.624 2.806
108 HD1 PHE 15 HD1 PHE 15 7.607 -9.965 3.121
109 HD2 PHE 15 HD2 PHE 15 6.795 -6.822 5.960
110 HE1 PHE 15 HE1 PHE 15 9.543 -10.693 4.493
111 HE2 PHE 15 HE2 PHE 15 8.718 -7.553 7.331
112 HZ PHE 15 HZ PHE 15 10.103 -9.492 6.599
113 H GLY 16 H GLY 16 8.140 -5.432 3.869
114 HA2 GLY 16 HA2 GLY 16 10.350 -5.300 3.389
115 HA3 GLY 16 HA3 GLY 16 10.123 -6.720 2.379
116 H THR 17 H THR 17 8.313 -5.007 0.565
117 HA THR 17 HA THR 17 10.295 -4.482 -1.386
118 HB THR 17 HB THR 17 8.095 -5.292 -1.910
119 HG1 THR 17 HG1 THR 17 7.867 -2.881 -3.182
120 HG21 THR 17 HG21 THR 17 6.118 -3.801 -1.967
121 HG22 THR 17 HG22 THR 17 6.677 -4.116 -0.315
122 HG23 THR 17 HG23 THR 17 7.032 -2.562 -1.088
123 H LYS 18 H LYS 18 8.972 -2.276 0.925
124 HA LYS 18 HA LYS 18 9.185 -0.091 1.417
125 HB2 LYS 18 HB2 LYS 18 11.587 -0.804 1.315
126 HB3 LYS 18 HB3 LYS 18 11.680 -0.098 -0.303
127 HG2 LYS 18 HG2 LYS 18 11.129 2.135 0.633
128 HG3 LYS 18 HG3 LYS 18 10.912 1.415 2.234
129 HD2 LYS 18 HD2 LYS 18 13.056 2.497 2.149
130 HD3 LYS 18 HD3 LYS 18 13.320 0.750 2.235
131 HE2 LYS 18 HE2 LYS 18 13.729 0.685 -0.212
132 HE3 LYS 18 HE3 LYS 18 13.387 2.417 -0.326
133 HZ1 LYS 18 HZ1 LYS 18 15.775 1.988 -0.226
134 HZ2 LYS 18 HZ2 LYS 18 15.322 2.825 1.099
135 HZ3 LYS 18 HZ3 LYS 18 15.636 1.225 1.209
136 H THR 19 H THR 19 9.124 -0.663 -2.030
137 HA THR 19 HA THR 19 7.500 1.826 -2.342
138 HB THR 19 HB THR 19 9.780 1.905 -3.489
139 HG1 THR 19 HG1 THR 19 8.365 3.339 -4.189
140 HG21 THR 19 HG21 THR 19 9.768 -0.433 -4.403
141 HG22 THR 19 HG22 THR 19 8.413 0.016 -5.464
142 HG23 THR 19 HG23 THR 19 9.994 0.809 -5.649
143 H CYS 20 H CYS 20 5.907 1.691 -4.119
144 HA CYS 20 HA CYS 20 4.532 -0.900 -3.960
145 HB2 CYS 20 HB2 CYS 20 3.614 1.801 -4.988
146 HB3 CYS 20 HB3 CYS 20 2.601 0.361 -4.910
147 HA PRO 21 HA PRO 21 5.714 -1.978 -8.134
148 HB2 PRO 21 HB2 PRO 21 4.079 -4.121 -8.586
149 HB3 PRO 21 HB3 PRO 21 5.437 -4.176 -7.417
150 HG2 PRO 21 HG2 PRO 21 2.505 -3.668 -6.843
151 HG3 PRO 21 HG3 PRO 21 3.606 -4.789 -5.992
152 HD2 PRO 21 HD2 PRO 21 3.085 -2.322 -5.009
153 HD3 PRO 21 HD3 PRO 21 4.703 -3.066 -4.866
154 H SER 22 H SER 22 5.311 -0.739 -9.747
155 HA SER 22 HA SER 22 3.043 0.768 -10.233
156 HB2 SER 22 HB2 SER 22 5.091 -0.160 -12.287
157 HB3 SER 22 HB3 SER 22 4.091 1.300 -12.348
158 HG SER 22 HG SER 22 6.209 1.749 -11.592
159 H ASN 23 H ASN 23 3.712 -2.480 -11.441
160 HA ASN 23 HA ASN 23 1.705 -2.484 -13.516
161 HB2 ASN 23 HB2 ASN 23 3.235 -4.752 -12.169
162 HB3 ASN 23 HB3 ASN 23 2.238 -4.921 -13.611
163 HD21 ASN 23 HD21 ASN 23 5.419 -4.472 -12.639
164 HD22 ASN 23 HD22 ASN 23 6.009 -3.767 -14.134
165 H ARG 24 H ARG 24 1.187 -2.523 -10.194
166 HA ARG 24 HA ARG 24 -1.424 -3.990 -10.420
167 HB2 ARG 24 HB2 ARG 24 0.285 -3.020 -8.134
168 HB3 ARG 24 HB3 ARG 24 -1.445 -3.197 -7.904
169 HG2 ARG 24 HG2 ARG 24 -0.398 -5.145 -7.102
170 HG3 ARG 24 HG3 ARG 24 -1.351 -5.575 -8.508
171 HD2 ARG 24 HD2 ARG 24 1.655 -5.097 -8.657
172 HD3 ARG 24 HD3 ARG 24 0.958 -6.652 -8.177
173 HE ARG 24 HE ARG 24 -0.121 -5.641 -10.691
174 HH11 ARG 24 HH11 ARG 24 2.512 -7.558 -9.393
175 HH12 ARG 24 HH12 ARG 24 2.788 -8.355 -10.916
176 HH21 ARG 24 HH21 ARG 24 0.293 -6.656 -12.579
177 HH22 ARG 24 HH22 ARG 24 1.534 -7.875 -12.673
178 H GLY 25 H GLY 25 -0.274 -0.829 -10.907
179 HA2 GLY 25 HA2 GLY 25 -1.486 0.964 -11.682
180 HA3 GLY 25 HA3 GLY 25 -2.977 0.044 -11.469
181 H TYR 26 H TYR 26 -0.712 0.704 -8.813
182 HA TYR 26 HA TYR 26 -2.761 1.830 -7.154
183 HB2 TYR 26 HB2 TYR 26 0.263 1.765 -6.872
184 HB3 TYR 26 HB3 TYR 26 -0.840 2.279 -5.595
185 HD1 TYR 26 HD1 TYR 26 1.151 -0.390 -6.495
186 HD2 TYR 26 HD2 TYR 26 -2.944 0.427 -5.363
187 HE1 TYR 26 HE1 TYR 26 0.881 -2.722 -5.692
188 HE2 TYR 26 HE2 TYR 26 -3.212 -1.933 -4.648
189 HH TYR 26 HH TYR 26 -2.247 -4.007 -4.591
190 H THR 27 H THR 27 -3.069 3.890 -6.364
191 HA THR 27 HA THR 27 -2.098 6.113 -8.118
192 HB THR 27 HB THR 27 -4.559 5.518 -7.970
193 HG1 THR 27 HG1 THR 27 -5.107 7.676 -8.086
194 HG21 THR 27 HG21 THR 27 -4.452 7.089 -5.357
195 HG22 THR 27 HG22 THR 27 -5.879 6.412 -6.168
196 HG23 THR 27 HG23 THR 27 -4.676 5.331 -5.448
197 H GLY 28 H GLY 28 -1.769 4.889 -4.917
198 HA2 GLY 28 HA2 GLY 28 0.186 6.868 -4.246
199 HA3 GLY 28 HA3 GLY 28 -1.300 7.175 -3.353
200 H SER 29 H SER 29 0.734 6.733 -1.808
201 HA SER 29 HA SER 29 0.410 4.063 -0.625
202 HB2 SER 29 HB2 SER 29 2.758 3.494 -0.813
203 HB3 SER 29 HB3 SER 29 2.069 3.770 -2.426
204 HG SER 29 HG SER 29 4.101 4.796 -2.216
205 H CYS 30 H CYS 30 1.686 3.765 1.358
206 HA CYS 30 HA CYS 30 3.085 6.022 2.507
207 HB2 CYS 30 HB2 CYS 30 1.734 6.375 4.460
208 HB3 CYS 30 HB3 CYS 30 0.669 6.533 3.060
209 H GLY 31 H GLY 31 4.481 5.450 4.237
210 HA2 GLY 31 HA2 GLY 31 5.314 2.718 4.361
211 HA3 GLY 31 HA3 GLY 31 5.814 4.000 5.465
212 H TYR 32 H TYR 32 4.827 1.056 5.775
213 HA TYR 32 HA TYR 32 2.716 1.531 7.844
214 HB2 TYR 32 HB2 TYR 32 2.118 0.586 5.417
215 HB3 TYR 32 HB3 TYR 32 2.667 -0.925 6.112
216 HD1 TYR 32 HD1 TYR 32 0.993 -2.240 7.223
217 HD2 TYR 32 HD2 TYR 32 0.462 2.033 6.866
218 HE1 TYR 32 HE1 TYR 32 -1.292 -2.433 8.198
219 HE2 TYR 32 HE2 TYR 32 -1.790 1.840 7.893
220 HH TYR 32 HH TYR 32 -3.341 0.437 8.846
221 H PHE 33 H PHE 33 2.357 -0.591 9.172
222 HA PHE 33 HA PHE 33 4.705 -1.174 10.665
223 HB2 PHE 33 HB2 PHE 33 2.417 -1.454 11.505
224 HB3 PHE 33 HB3 PHE 33 2.148 -2.756 10.337
225 HD1 PHE 33 HD1 PHE 33 4.671 -1.880 13.024
226 HD2 PHE 33 HD2 PHE 33 2.200 -4.916 11.206
227 HE1 PHE 33 HE1 PHE 33 5.472 -3.537 14.692
228 HE2 PHE 33 HE2 PHE 33 2.989 -6.563 12.888
229 HZ PHE 33 HZ PHE 33 4.630 -5.878 14.629
230 H LEU 34 H LEU 34 6.376 -2.396 10.253
231 HA LEU 34 HA LEU 34 7.870 -3.727 9.340
232 HB2 LEU 34 HB2 LEU 34 5.623 -5.659 8.753
233 HB3 LEU 34 HB3 LEU 34 7.330 -6.053 8.875
234 HG LEU 34 HG LEU 34 5.602 -5.047 11.166
235 HD11 LEU 34 HD11 LEU 34 4.981 -7.270 10.388
236 HD12 LEU 34 HD12 LEU 34 6.671 -7.812 10.521
237 HD13 LEU 34 HD13 LEU 34 5.758 -7.350 11.980
238 HD21 LEU 34 HD21 LEU 34 8.463 -6.088 11.161
239 HD22 LEU 34 HD22 LEU 34 7.944 -4.424 11.531
240 HD23 LEU 34 HD23 LEU 34 7.484 -5.746 12.606
241 H GLY 35 H GLY 35 5.808 -2.245 7.280
242 HA2 GLY 35 HA2 GLY 35 7.444 -2.711 4.888
243 HA3 GLY 35 HA3 GLY 35 5.886 -3.530 4.846
244 H ILE 36 H ILE 36 4.623 -2.449 3.480
245 HA ILE 36 HA ILE 36 4.210 0.467 3.742
246 HB ILE 36 HB ILE 36 6.001 0.534 2.275
247 HG12 ILE 36 HG12 ILE 36 3.609 0.489 0.401
248 HG13 ILE 36 HG13 ILE 36 3.899 1.754 1.568
249 HG21 ILE 36 HG21 ILE 36 6.197 -1.862 1.640
250 HG22 ILE 36 HG22 ILE 36 4.792 -1.669 0.569
251 HG23 ILE 36 HG23 ILE 36 6.301 -0.800 0.244
252 HD11 ILE 36 HD11 ILE 36 5.637 1.070 -0.810
253 HD12 ILE 36 HD12 ILE 36 4.691 2.537 -0.534
254 HD13 ILE 36 HD13 ILE 36 6.105 2.228 0.478
255 H CYS 37 H CYS 37 2.354 1.245 2.977
256 HA CYS 37 HA CYS 37 0.163 -0.645 2.267
257 HB2 CYS 37 HB2 CYS 37 -0.094 0.743 4.277
258 HB3 CYS 37 HB3 CYS 37 0.334 2.180 3.366
259 H CYS 38 H CYS 38 -0.630 -0.564 0.216
260 HA CYS 38 HA CYS 38 0.022 1.745 -1.587
261 HB2 CYS 38 HB2 CYS 38 -0.103 -1.194 -2.286
262 HB3 CYS 38 HB3 CYS 38 0.253 0.115 -3.400
263 H TYR 39 H TYR 39 -1.762 2.567 -2.640
264 HA TYR 39 HA TYR 39 -4.332 1.091 -2.376
265 HB2 TYR 39 HB2 TYR 39 -5.433 3.217 -1.669
266 HB3 TYR 39 HB3 TYR 39 -4.396 2.438 -0.508
267 HD1 TYR 39 HD1 TYR 39 -2.622 3.569 0.548
268 HD2 TYR 39 HD2 TYR 39 -4.617 5.326 -2.853
269 HE1 TYR 39 HE1 TYR 39 -1.562 5.762 1.062
270 HE2 TYR 39 HE2 TYR 39 -3.569 7.525 -2.323
271 HH TYR 39 HH TYR 39 -1.331 7.962 0.438
272 HA PRO 40 HA PRO 40 -6.739 1.894 -2.788
273 HB2 PRO 40 HB2 PRO 40 -8.486 0.805 -4.554
274 HB3 PRO 40 HB3 PRO 40 -8.253 2.570 -4.384
275 HG2 PRO 40 HG2 PRO 40 -6.949 0.711 -6.412
276 HG3 PRO 40 HG3 PRO 40 -7.837 2.238 -6.732
277 HD2 PRO 40 HD2 PRO 40 -5.131 2.197 -6.540
278 HD3 PRO 40 HD3 PRO 40 -6.079 3.551 -5.860
279 H VAL 41 H VAL 41 -7.706 -0.110 -2.103
280 HA VAL 41 HA VAL 41 -5.992 -2.362 -1.959
281 HB VAL 41 HB VAL 41 -7.645 -1.635 -0.263
282 HG11 VAL 41 HG11 VAL 41 -9.586 -1.148 -1.745
283 HG12 VAL 41 HG12 VAL 41 -9.795 -2.894 -1.996
284 HG13 VAL 41 HG13 VAL 41 -9.980 -2.195 -0.378
285 HG21 VAL 41 HG21 VAL 41 -7.965 -4.521 -1.147
286 HG22 VAL 41 HG22 VAL 41 -6.723 -3.848 -0.056
287 HG23 VAL 41 HG23 VAL 41 -8.414 -3.856 0.434
288 H ASP 42 H ASP 42 -5.945 -4.321 -2.984
289 HA ASP 42 HA ASP 42 -7.309 -4.542 -5.597
290 HB2 ASP 42 HB2 ASP 42 -4.880 -4.813 -5.496
291 HB3 ASP 42 HB3 ASP 42 -5.057 -6.162 -4.378
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -5.745 -11.972 0.003
2 H2 GLY 1 H2 GLY 1 -6.674 -10.936 0.868
3 H3 GLY 1 H3 GLY 1 -5.966 -12.211 1.609
4 HA2 GLY 1 HA2 GLY 1 -3.765 -11.317 1.192
5 HA3 GLY 1 HA3 GLY 1 -4.540 -9.927 0.408
6 H THR 2 H THR 2 -3.387 -8.616 1.971
7 HA THR 2 HA THR 2 -4.666 -8.490 4.685
8 HB THR 2 HB THR 2 -1.748 -7.990 3.992
9 HG1 THR 2 HG1 THR 2 -1.405 -9.851 5.203
10 HG21 THR 2 HG21 THR 2 -1.439 -7.893 6.459
11 HG22 THR 2 HG22 THR 2 -2.469 -6.580 5.885
12 HG23 THR 2 HG23 THR 2 -3.202 -7.992 6.679
13 H THR 3 H THR 3 -5.648 -6.574 5.075
14 HA THR 3 HA THR 3 -5.438 -4.386 3.203
15 HB THR 3 HB THR 3 -6.953 -3.365 5.232
16 HG1 THR 3 HG1 THR 3 -6.928 -5.087 6.591
17 HG21 THR 3 HG21 THR 3 -8.886 -4.280 3.980
18 HG22 THR 3 HG22 THR 3 -7.637 -3.528 2.964
19 HG23 THR 3 HG23 THR 3 -7.764 -5.306 3.051
20 H CYS 4 H CYS 4 -5.127 -2.243 3.668
21 HA CYS 4 HA CYS 4 -3.724 -1.499 6.139
22 HB2 CYS 4 HB2 CYS 4 -1.910 -0.436 5.063
23 HB3 CYS 4 HB3 CYS 4 -2.047 -2.013 4.319
24 H TYR 5 H TYR 5 -3.658 0.945 6.433
25 HA TYR 5 HA TYR 5 -5.780 2.407 4.943
26 HB2 TYR 5 HB2 TYR 5 -5.666 2.006 7.951
27 HB3 TYR 5 HB3 TYR 5 -6.464 3.381 7.223
28 HD1 TYR 5 HD1 TYR 5 -6.623 -0.303 7.634
29 HD2 TYR 5 HD2 TYR 5 -8.597 3.232 6.136
30 HE1 TYR 5 HE1 TYR 5 -8.779 -1.555 7.500
31 HE2 TYR 5 HE2 TYR 5 -10.748 1.987 6.028
32 HH TYR 5 HH TYR 5 -11.825 0.007 6.437
33 H CYS 6 H CYS 6 -5.269 4.455 4.479
34 HA CYS 6 HA CYS 6 -3.600 6.009 6.359
35 HB2 CYS 6 HB2 CYS 6 -2.583 5.035 3.768
36 HB3 CYS 6 HB3 CYS 6 -2.461 6.779 3.926
37 H GLY 7 H GLY 7 -4.309 8.088 6.557
38 HA2 GLY 7 HA2 GLY 7 -5.570 9.987 6.208
39 HA3 GLY 7 HA3 GLY 7 -5.167 9.788 4.499
40 H LYS 8 H LYS 8 -7.178 7.658 6.520
41 HA LYS 8 HA LYS 8 -9.172 6.663 6.194
42 HB2 LYS 8 HB2 LYS 8 -9.772 9.143 6.698
43 HB3 LYS 8 HB3 LYS 8 -10.314 9.188 5.018
44 HG2 LYS 8 HG2 LYS 8 -11.885 7.298 5.513
45 HG3 LYS 8 HG3 LYS 8 -11.285 7.250 7.178
46 HD2 LYS 8 HD2 LYS 8 -12.058 9.582 7.521
47 HD3 LYS 8 HD3 LYS 8 -12.686 9.633 5.871
48 HE2 LYS 8 HE2 LYS 8 -13.588 7.669 8.032
49 HE3 LYS 8 HE3 LYS 8 -14.402 9.191 7.668
50 HZ1 LYS 8 HZ1 LYS 8 -14.814 8.368 5.411
51 HZ2 LYS 8 HZ2 LYS 8 -14.089 6.942 5.753
52 HZ3 LYS 8 HZ3 LYS 8 -15.468 7.361 6.513
53 H THR 9 H THR 9 -7.233 6.670 3.941
54 HA THR 9 HA THR 9 -8.999 5.597 1.787
55 HB THR 9 HB THR 9 -6.100 6.504 1.521
56 HG1 THR 9 HG1 THR 9 -7.521 8.250 1.777
57 HG21 THR 9 HG21 THR 9 -8.182 5.615 -0.528
58 HG22 THR 9 HG22 THR 9 -6.587 6.306 -0.903
59 HG23 THR 9 HG23 THR 9 -6.695 4.744 -0.082
60 H ILE 10 H ILE 10 -9.189 3.509 2.065
61 HA ILE 10 HA ILE 10 -7.256 1.820 3.438
62 HB ILE 10 HB ILE 10 -9.702 1.526 3.559
63 HG12 ILE 10 HG12 ILE 10 -8.232 -0.875 2.395
64 HG13 ILE 10 HG13 ILE 10 -8.299 -0.369 4.089
65 HG21 ILE 10 HG21 ILE 10 -11.011 0.748 1.694
66 HG22 ILE 10 HG22 ILE 10 -10.152 2.208 1.201
67 HG23 ILE 10 HG23 ILE 10 -9.557 0.623 0.670
68 HD11 ILE 10 HD11 ILE 10 -10.562 -1.478 2.396
69 HD12 ILE 10 HD12 ILE 10 -9.847 -2.157 3.868
70 HD13 ILE 10 HD13 ILE 10 -10.830 -0.687 3.967
71 H GLY 11 H GLY 11 -5.954 0.220 2.536
72 HA2 GLY 11 HA2 GLY 11 -5.677 0.014 -0.417
73 HA3 GLY 11 HA3 GLY 11 -4.278 0.474 0.546
74 H ILE 12 H ILE 12 -3.575 -1.430 -0.629
75 HA ILE 12 HA ILE 12 -3.991 -3.981 0.825
76 HB ILE 12 HB ILE 12 -3.608 -3.289 -1.946
77 HG12 ILE 12 HG12 ILE 12 -5.167 -4.916 -1.207
78 HG13 ILE 12 HG13 ILE 12 -4.048 -5.582 -2.393
79 HG21 ILE 12 HG21 ILE 12 -1.292 -3.330 -1.817
80 HG22 ILE 12 HG22 ILE 12 -1.249 -4.875 -0.918
81 HG23 ILE 12 HG23 ILE 12 -1.816 -4.851 -2.582
82 HD11 ILE 12 HD11 ILE 12 -4.415 -7.292 -0.799
83 HD12 ILE 12 HD12 ILE 12 -2.783 -6.679 -0.472
84 HD13 ILE 12 HD13 ILE 12 -4.157 -6.199 0.558
85 H TYR 13 H TYR 13 -2.311 -4.924 1.876
86 HA TYR 13 HA TYR 13 0.009 -3.167 2.532
87 HB2 TYR 13 HB2 TYR 13 -1.183 -4.033 4.437
88 HB3 TYR 13 HB3 TYR 13 -1.066 -5.675 3.828
89 HD1 TYR 13 HD1 TYR 13 1.076 -2.774 4.869
90 HD2 TYR 13 HD2 TYR 13 0.760 -7.055 4.396
91 HE1 TYR 13 HE1 TYR 13 3.284 -3.065 5.992
92 HE2 TYR 13 HE2 TYR 13 2.969 -7.338 5.517
93 HH TYR 13 HH TYR 13 4.675 -4.584 6.961
94 H TRP 14 H TRP 14 1.974 -3.466 1.807
95 HA TRP 14 HA TRP 14 2.826 -6.113 0.688
96 HB2 TRP 14 HB2 TRP 14 3.504 -3.271 -0.072
97 HB3 TRP 14 HB3 TRP 14 4.504 -4.650 -0.542
98 HD1 TRP 14 HD1 TRP 14 1.278 -2.894 -1.358
99 HE1 TRP 14 HE1 TRP 14 0.252 -3.884 -3.519
100 HE3 TRP 14 HE3 TRP 14 4.411 -6.898 -2.004
101 HZ2 TRP 14 HZ2 TRP 14 0.742 -6.085 -5.280
102 HZ3 TRP 14 HZ3 TRP 14 4.111 -8.423 -3.944
103 HH2 TRP 14 HH2 TRP 14 2.282 -8.036 -5.580
104 H PHE 15 H PHE 15 4.585 -7.069 1.558
105 HA PHE 15 HA PHE 15 5.770 -5.881 4.004
106 HB2 PHE 15 HB2 PHE 15 4.784 -8.101 4.132
107 HB3 PHE 15 HB3 PHE 15 5.816 -8.677 2.830
108 HD1 PHE 15 HD1 PHE 15 8.160 -9.243 3.214
109 HD2 PHE 15 HD2 PHE 15 5.743 -7.600 6.385
110 HE1 PHE 15 HE1 PHE 15 9.926 -9.816 4.862
111 HE2 PHE 15 HE2 PHE 15 7.509 -8.165 8.025
112 HZ PHE 15 HZ PHE 15 9.608 -9.275 7.271
113 H GLY 16 H GLY 16 7.848 -5.293 4.227
114 HA2 GLY 16 HA2 GLY 16 10.064 -4.943 3.932
115 HA3 GLY 16 HA3 GLY 16 10.067 -6.456 3.040
116 H THR 17 H THR 17 8.301 -4.967 0.940
117 HA THR 17 HA THR 17 10.439 -4.535 -0.865
118 HB THR 17 HB THR 17 8.297 -5.533 -1.465
119 HG1 THR 17 HG1 THR 17 9.454 -4.662 -3.141
120 HG21 THR 17 HG21 THR 17 6.709 -4.220 -0.193
121 HG22 THR 17 HG22 THR 17 7.125 -2.755 -1.096
122 HG23 THR 17 HG23 THR 17 6.322 -4.102 -1.920
123 H LYS 18 H LYS 18 8.893 -2.209 1.125
124 HA LYS 18 HA LYS 18 9.090 0.004 1.486
125 HB2 LYS 18 HB2 LYS 18 11.480 -0.767 1.475
126 HB3 LYS 18 HB3 LYS 18 11.629 -0.125 -0.163
127 HG2 LYS 18 HG2 LYS 18 11.167 2.149 0.647
128 HG3 LYS 18 HG3 LYS 18 10.805 1.528 2.264
129 HD2 LYS 18 HD2 LYS 18 13.014 2.512 2.245
130 HD3 LYS 18 HD3 LYS 18 13.154 0.767 2.499
131 HE2 LYS 18 HE2 LYS 18 13.729 0.461 0.100
132 HE3 LYS 18 HE3 LYS 18 13.538 2.198 -0.175
133 HZ1 LYS 18 HZ1 LYS 18 15.559 0.972 1.631
134 HZ2 LYS 18 HZ2 LYS 18 15.868 1.599 0.157
135 HZ3 LYS 18 HZ3 LYS 18 15.386 2.577 1.371
136 H THR 19 H THR 19 8.989 -0.804 -1.879
137 HA THR 19 HA THR 19 7.581 1.784 -2.420
138 HB THR 19 HB THR 19 9.835 1.615 -3.531
139 HG1 THR 19 HG1 THR 19 8.993 2.444 -5.428
140 HG21 THR 19 HG21 THR 19 8.429 -0.417 -5.332
141 HG22 THR 19 HG22 THR 19 10.052 0.274 -5.553
142 HG23 THR 19 HG23 THR 19 9.732 -0.808 -4.187
143 H CYS 20 H CYS 20 5.993 1.627 -4.249
144 HA CYS 20 HA CYS 20 4.451 -0.890 -3.968
145 HB2 CYS 20 HB2 CYS 20 3.639 1.846 -4.971
146 HB3 CYS 20 HB3 CYS 20 2.577 0.436 -4.928
147 HA PRO 21 HA PRO 21 5.672 -1.993 -8.129
148 HB2 PRO 21 HB2 PRO 21 4.044 -4.146 -8.571
149 HB3 PRO 21 HB3 PRO 21 5.417 -4.190 -7.417
150 HG2 PRO 21 HG2 PRO 21 2.487 -3.707 -6.816
151 HG3 PRO 21 HG3 PRO 21 3.606 -4.811 -5.971
152 HD2 PRO 21 HD2 PRO 21 3.073 -2.353 -4.985
153 HD3 PRO 21 HD3 PRO 21 4.704 -3.078 -4.861
154 H SER 22 H SER 22 5.262 -0.851 -9.806
155 HA SER 22 HA SER 22 3.029 0.683 -10.359
156 HB2 SER 22 HB2 SER 22 4.963 -0.473 -12.411
157 HB3 SER 22 HB3 SER 22 4.042 1.034 -12.520
158 HG SER 22 HG SER 22 6.213 1.409 -11.879
159 H ASN 23 H ASN 23 3.596 -2.658 -11.328
160 HA ASN 23 HA ASN 23 1.652 -2.741 -13.444
161 HB2 ASN 23 HB2 ASN 23 2.914 -5.047 -11.899
162 HB3 ASN 23 HB3 ASN 23 2.173 -5.114 -13.499
163 HD21 ASN 23 HD21 ASN 23 3.255 -3.531 -15.180
164 HD22 ASN 23 HD22 ASN 23 5.008 -3.489 -15.093
165 H ARG 24 H ARG 24 1.067 -2.643 -10.119
166 HA ARG 24 HA ARG 24 -1.598 -4.012 -10.353
167 HB2 ARG 24 HB2 ARG 24 0.166 -3.161 -8.066
168 HB3 ARG 24 HB3 ARG 24 -1.573 -3.205 -7.827
169 HG2 ARG 24 HG2 ARG 24 -0.680 -5.237 -7.037
170 HG3 ARG 24 HG3 ARG 24 -1.662 -5.583 -8.447
171 HD2 ARG 24 HD2 ARG 24 1.376 -5.351 -8.566
172 HD3 ARG 24 HD3 ARG 24 0.538 -6.849 -8.137
173 HE ARG 24 HE ARG 24 -0.345 -5.624 -10.656
174 HH11 ARG 24 HH11 ARG 24 1.841 -8.018 -9.319
175 HH12 ARG 24 HH12 ARG 24 2.029 -8.815 -10.857
176 HH21 ARG 24 HH21 ARG 24 -0.036 -6.632 -12.548
177 HH22 ARG 24 HH22 ARG 24 0.958 -8.063 -12.644
178 H GLY 25 H GLY 25 -0.322 -0.931 -10.884
179 HA2 GLY 25 HA2 GLY 25 -1.450 0.909 -11.672
180 HA3 GLY 25 HA3 GLY 25 -2.974 0.042 -11.479
181 H TYR 26 H TYR 26 -0.722 0.676 -8.809
182 HA TYR 26 HA TYR 26 -2.755 1.815 -7.156
183 HB2 TYR 26 HB2 TYR 26 0.270 1.751 -6.905
184 HB3 TYR 26 HB3 TYR 26 -0.812 2.279 -5.615
185 HD1 TYR 26 HD1 TYR 26 1.167 -0.398 -6.498
186 HD2 TYR 26 HD2 TYR 26 -2.931 0.425 -5.370
187 HE1 TYR 26 HE1 TYR 26 0.896 -2.722 -5.676
188 HE2 TYR 26 HE2 TYR 26 -3.195 -1.927 -4.636
189 HH TYR 26 HH TYR 26 -2.226 -4.000 -4.566
190 H THR 27 H THR 27 -3.117 3.880 -6.400
191 HA THR 27 HA THR 27 -2.128 6.118 -8.120
192 HB THR 27 HB THR 27 -4.110 7.336 -7.376
193 HG1 THR 27 HG1 THR 27 -5.667 6.282 -6.170
194 HG21 THR 27 HG21 THR 27 -4.878 4.567 -8.404
195 HG22 THR 27 HG22 THR 27 -5.809 6.071 -8.570
196 HG23 THR 27 HG23 THR 27 -4.258 5.896 -9.409
197 H GLY 28 H GLY 28 -1.826 4.872 -4.920
198 HA2 GLY 28 HA2 GLY 28 0.078 6.916 -4.229
199 HA3 GLY 28 HA3 GLY 28 -1.414 7.131 -3.322
200 H SER 29 H SER 29 0.673 6.753 -1.810
201 HA SER 29 HA SER 29 0.435 4.073 -0.650
202 HB2 SER 29 HB2 SER 29 2.761 3.498 -0.867
203 HB3 SER 29 HB3 SER 29 2.075 3.787 -2.476
204 HG SER 29 HG SER 29 3.079 5.805 -2.522
205 H CYS 30 H CYS 30 1.701 3.786 1.331
206 HA CYS 30 HA CYS 30 3.119 6.054 2.444
207 HB2 CYS 30 HB2 CYS 30 1.799 6.426 4.402
208 HB3 CYS 30 HB3 CYS 30 0.700 6.544 3.027
209 H GLY 31 H GLY 31 4.574 5.490 4.107
210 HA2 GLY 31 HA2 GLY 31 5.386 2.750 4.257
211 HA3 GLY 31 HA3 GLY 31 5.941 4.047 5.316
212 H TYR 32 H TYR 32 4.902 1.123 5.703
213 HA TYR 32 HA TYR 32 2.852 1.661 7.814
214 HB2 TYR 32 HB2 TYR 32 2.141 0.778 5.438
215 HB3 TYR 32 HB3 TYR 32 2.763 -0.757 6.009
216 HD1 TYR 32 HD1 TYR 32 1.274 -2.151 7.316
217 HD2 TYR 32 HD2 TYR 32 0.446 2.060 6.862
218 HE1 TYR 32 HE1 TYR 32 -0.972 -2.477 8.344
219 HE2 TYR 32 HE2 TYR 32 -1.773 1.741 7.940
220 HH TYR 32 HH TYR 32 -3.221 0.252 8.929
221 H PHE 33 H PHE 33 2.503 -0.511 9.126
222 HA PHE 33 HA PHE 33 4.851 -1.029 10.620
223 HB2 PHE 33 HB2 PHE 33 2.535 -1.386 11.400
224 HB3 PHE 33 HB3 PHE 33 2.376 -2.733 10.265
225 HD1 PHE 33 HD1 PHE 33 4.770 -1.638 12.989
226 HD2 PHE 33 HD2 PHE 33 2.502 -4.856 11.221
227 HE1 PHE 33 HE1 PHE 33 5.599 -3.190 14.741
228 HE2 PHE 33 HE2 PHE 33 3.317 -6.397 12.987
229 HZ PHE 33 HZ PHE 33 4.872 -5.570 14.745
230 H LEU 34 H LEU 34 6.587 -2.206 10.206
231 HA LEU 34 HA LEU 34 8.109 -3.507 9.268
232 HB2 LEU 34 HB2 LEU 34 5.911 -5.534 8.835
233 HB3 LEU 34 HB3 LEU 34 7.633 -5.862 8.966
234 HG LEU 34 HG LEU 34 5.889 -4.788 11.223
235 HD11 LEU 34 HD11 LEU 34 5.315 -7.056 10.539
236 HD12 LEU 34 HD12 LEU 34 7.017 -7.554 10.685
237 HD13 LEU 34 HD13 LEU 34 6.101 -7.053 12.130
238 HD21 LEU 34 HD21 LEU 34 8.231 -4.101 11.516
239 HD22 LEU 34 HD22 LEU 34 7.801 -5.368 12.670
240 HD23 LEU 34 HD23 LEU 34 8.772 -5.774 11.235
241 H GLY 35 H GLY 35 6.044 -2.101 7.252
242 HA2 GLY 35 HA2 GLY 35 7.494 -2.707 4.779
243 HA3 GLY 35 HA3 GLY 35 5.920 -3.493 4.867
244 H ILE 36 H ILE 36 4.665 -2.427 3.460
245 HA ILE 36 HA ILE 36 4.265 0.492 3.701
246 HB ILE 36 HB ILE 36 6.042 0.533 2.212
247 HG12 ILE 36 HG12 ILE 36 3.632 0.500 0.361
248 HG13 ILE 36 HG13 ILE 36 3.925 1.760 1.533
249 HG21 ILE 36 HG21 ILE 36 6.198 -1.872 1.582
250 HG22 ILE 36 HG22 ILE 36 4.783 -1.654 0.528
251 HG23 ILE 36 HG23 ILE 36 6.299 -0.815 0.178
252 HD11 ILE 36 HD11 ILE 36 6.134 2.236 0.439
253 HD12 ILE 36 HD12 ILE 36 5.664 1.082 -0.846
254 HD13 ILE 36 HD13 ILE 36 4.720 2.552 -0.571
255 H CYS 37 H CYS 37 2.392 1.259 2.982
256 HA CYS 37 HA CYS 37 0.198 -0.638 2.292
257 HB2 CYS 37 HB2 CYS 37 -0.051 0.735 4.305
258 HB3 CYS 37 HB3 CYS 37 0.366 2.182 3.403
259 H CYS 38 H CYS 38 -0.591 -0.564 0.239
260 HA CYS 38 HA CYS 38 0.045 1.741 -1.573
261 HB2 CYS 38 HB2 CYS 38 -0.089 -1.202 -2.248
262 HB3 CYS 38 HB3 CYS 38 0.246 0.095 -3.381
263 H TYR 39 H TYR 39 -1.745 2.561 -2.625
264 HA TYR 39 HA TYR 39 -4.308 1.078 -2.378
265 HB2 TYR 39 HB2 TYR 39 -5.424 3.199 -1.666
266 HB3 TYR 39 HB3 TYR 39 -4.405 2.405 -0.501
267 HD1 TYR 39 HD1 TYR 39 -2.588 3.498 0.549
268 HD2 TYR 39 HD2 TYR 39 -4.628 5.335 -2.784
269 HE1 TYR 39 HE1 TYR 39 -1.550 5.694 1.120
270 HE2 TYR 39 HE2 TYR 39 -3.619 7.530 -2.188
271 HH TYR 39 HH TYR 39 -2.242 8.672 -0.751
272 HA PRO 40 HA PRO 40 -6.736 1.932 -2.821
273 HB2 PRO 40 HB2 PRO 40 -8.441 0.827 -4.626
274 HB3 PRO 40 HB3 PRO 40 -8.220 2.592 -4.447
275 HG2 PRO 40 HG2 PRO 40 -6.858 0.745 -6.447
276 HG3 PRO 40 HG3 PRO 40 -7.748 2.268 -6.785
277 HD2 PRO 40 HD2 PRO 40 -5.051 2.261 -6.536
278 HD3 PRO 40 HD3 PRO 40 -6.026 3.589 -5.844
279 H VAL 41 H VAL 41 -7.711 -0.050 -2.120
280 HA VAL 41 HA VAL 41 -6.000 -2.315 -1.947
281 HB VAL 41 HB VAL 41 -7.616 -1.569 -0.233
282 HG11 VAL 41 HG11 VAL 41 -9.961 -2.092 -0.309
283 HG12 VAL 41 HG12 VAL 41 -9.570 -1.045 -1.679
284 HG13 VAL 41 HG13 VAL 41 -9.815 -2.787 -1.933
285 HG21 VAL 41 HG21 VAL 41 -6.728 -3.816 -0.061
286 HG22 VAL 41 HG22 VAL 41 -8.399 -3.767 0.495
287 HG23 VAL 41 HG23 VAL 41 -8.032 -4.448 -1.100
288 H ASP 42 H ASP 42 -5.956 -4.279 -2.969
289 HA ASP 42 HA ASP 42 -7.230 -4.521 -5.585
290 HB2 ASP 42 HB2 ASP 42 -4.898 -5.191 -5.212
291 HB3 ASP 42 HB3 ASP 42 -5.423 -6.428 -4.072
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -5.607 -12.575 1.463
2 H2 GLY 1 H2 GLY 1 -6.563 -11.860 2.585
3 H3 GLY 1 H3 GLY 1 -5.030 -12.297 2.970
4 HA2 GLY 1 HA2 GLY 1 -4.112 -10.682 1.438
5 HA3 GLY 1 HA3 GLY 1 -5.768 -10.228 0.998
6 H THR 2 H THR 2 -3.216 -9.169 2.731
7 HA THR 2 HA THR 2 -4.631 -8.301 5.176
8 HB THR 2 HB THR 2 -1.758 -7.841 4.309
9 HG1 THR 2 HG1 THR 2 -1.345 -9.574 5.691
10 HG21 THR 2 HG21 THR 2 -3.115 -7.621 7.040
11 HG22 THR 2 HG22 THR 2 -1.366 -7.496 6.741
12 HG23 THR 2 HG23 THR 2 -2.457 -6.271 6.089
13 H THR 3 H THR 3 -5.748 -6.427 5.252
14 HA THR 3 HA THR 3 -5.507 -4.364 3.244
15 HB THR 3 HB THR 3 -7.047 -3.247 5.223
16 HG1 THR 3 HG1 THR 3 -8.322 -4.892 6.072
17 HG21 THR 3 HG21 THR 3 -7.706 -3.471 2.947
18 HG22 THR 3 HG22 THR 3 -7.837 -5.245 3.082
19 HG23 THR 3 HG23 THR 3 -8.974 -4.189 3.960
20 H CYS 4 H CYS 4 -5.261 -2.153 3.676
21 HA CYS 4 HA CYS 4 -3.825 -1.373 6.114
22 HB2 CYS 4 HB2 CYS 4 -2.044 -0.284 5.013
23 HB3 CYS 4 HB3 CYS 4 -2.149 -1.869 4.257
24 H TYR 5 H TYR 5 -3.734 1.076 6.364
25 HA TYR 5 HA TYR 5 -5.942 2.498 4.965
26 HB2 TYR 5 HB2 TYR 5 -5.607 2.232 7.974
27 HB3 TYR 5 HB3 TYR 5 -6.683 3.382 7.182
28 HD1 TYR 5 HD1 TYR 5 -6.141 -0.187 8.003
29 HD2 TYR 5 HD2 TYR 5 -8.787 2.681 6.160
30 HE1 TYR 5 HE1 TYR 5 -7.975 -1.877 8.000
31 HE2 TYR 5 HE2 TYR 5 -10.626 1.004 6.193
32 HH TYR 5 HH TYR 5 -11.253 -1.128 6.765
33 H CYS 6 H CYS 6 -5.431 4.539 4.436
34 HA CYS 6 HA CYS 6 -3.759 6.137 6.279
35 HB2 CYS 6 HB2 CYS 6 -2.745 5.132 3.695
36 HB3 CYS 6 HB3 CYS 6 -2.628 6.877 3.836
37 H GLY 7 H GLY 7 -4.474 8.210 6.448
38 HA2 GLY 7 HA2 GLY 7 -5.711 10.115 6.062
39 HA3 GLY 7 HA3 GLY 7 -5.301 9.883 4.359
40 H LYS 8 H LYS 8 -7.338 7.781 6.370
41 HA LYS 8 HA LYS 8 -9.366 6.830 6.067
42 HB2 LYS 8 HB2 LYS 8 -10.274 9.485 4.927
43 HB3 LYS 8 HB3 LYS 8 -11.300 8.184 5.534
44 HG2 LYS 8 HG2 LYS 8 -10.270 8.440 7.796
45 HG3 LYS 8 HG3 LYS 8 -9.343 9.830 7.191
46 HD2 LYS 8 HD2 LYS 8 -11.488 10.953 6.566
47 HD3 LYS 8 HD3 LYS 8 -12.391 9.617 7.287
48 HE2 LYS 8 HE2 LYS 8 -10.415 11.420 8.764
49 HE3 LYS 8 HE3 LYS 8 -12.165 11.645 8.750
50 HZ1 LYS 8 HZ1 LYS 8 -10.769 9.272 9.864
51 HZ2 LYS 8 HZ2 LYS 8 -11.483 10.451 10.730
52 HZ3 LYS 8 HZ3 LYS 8 -12.396 9.461 9.811
53 H THR 9 H THR 9 -7.390 6.742 3.847
54 HA THR 9 HA THR 9 -9.154 5.619 1.717
55 HB THR 9 HB THR 9 -6.272 6.566 1.434
56 HG1 THR 9 HG1 THR 9 -7.197 8.213 0.235
57 HG21 THR 9 HG21 THR 9 -6.803 4.732 -0.113
58 HG22 THR 9 HG22 THR 9 -8.309 5.542 -0.600
59 HG23 THR 9 HG23 THR 9 -6.731 6.262 -0.993
60 H ILE 10 H ILE 10 -9.344 3.545 2.041
61 HA ILE 10 HA ILE 10 -7.391 1.883 3.412
62 HB ILE 10 HB ILE 10 -9.819 1.589 3.626
63 HG12 ILE 10 HG12 ILE 10 -8.445 -0.847 2.415
64 HG13 ILE 10 HG13 ILE 10 -8.382 -0.316 4.101
65 HG21 ILE 10 HG21 ILE 10 -10.368 2.236 1.279
66 HG22 ILE 10 HG22 ILE 10 -9.782 0.649 0.740
67 HG23 ILE 10 HG23 ILE 10 -11.199 0.777 1.814
68 HD11 ILE 10 HD11 ILE 10 -9.966 -2.087 4.004
69 HD12 ILE 10 HD12 ILE 10 -10.909 -0.599 4.187
70 HD13 ILE 10 HD13 ILE 10 -10.791 -1.394 2.599
71 H GLY 11 H GLY 11 -6.139 0.229 2.522
72 HA2 GLY 11 HA2 GLY 11 -5.924 -0.078 -0.421
73 HA3 GLY 11 HA3 GLY 11 -4.507 0.454 0.478
74 H ILE 12 H ILE 12 -3.671 -1.436 -0.531
75 HA ILE 12 HA ILE 12 -4.075 -3.967 0.965
76 HB ILE 12 HB ILE 12 -3.715 -3.343 -1.819
77 HG12 ILE 12 HG12 ILE 12 -5.239 -4.972 -1.028
78 HG13 ILE 12 HG13 ILE 12 -4.124 -5.657 -2.205
79 HG21 ILE 12 HG21 ILE 12 -1.888 -4.890 -2.427
80 HG22 ILE 12 HG22 ILE 12 -1.394 -3.339 -1.702
81 HG23 ILE 12 HG23 ILE 12 -1.326 -4.869 -0.769
82 HD11 ILE 12 HD11 ILE 12 -2.824 -6.688 -0.276
83 HD12 ILE 12 HD12 ILE 12 -4.176 -6.180 0.770
84 HD13 ILE 12 HD13 ILE 12 -4.461 -7.320 -0.541
85 H TYR 13 H TYR 13 -2.356 -4.890 2.022
86 HA TYR 13 HA TYR 13 -0.038 -3.086 2.602
87 HB2 TYR 13 HB2 TYR 13 -1.223 -3.872 4.555
88 HB3 TYR 13 HB3 TYR 13 -1.101 -5.536 4.010
89 HD1 TYR 13 HD1 TYR 13 1.095 -2.605 4.937
90 HD2 TYR 13 HD2 TYR 13 0.641 -6.896 4.745
91 HE1 TYR 13 HE1 TYR 13 3.207 -2.897 6.236
92 HE2 TYR 13 HE2 TYR 13 2.741 -7.173 6.048
93 HH TYR 13 HH TYR 13 4.551 -4.401 7.358
94 H TRP 14 H TRP 14 1.911 -3.436 1.853
95 HA TRP 14 HA TRP 14 2.643 -6.094 0.657
96 HB2 TRP 14 HB2 TRP 14 3.419 -3.261 -0.022
97 HB3 TRP 14 HB3 TRP 14 4.401 -4.631 -0.517
98 HD1 TRP 14 HD1 TRP 14 1.167 -2.878 -1.321
99 HE1 TRP 14 HE1 TRP 14 0.121 -3.883 -3.457
100 HE3 TRP 14 HE3 TRP 14 4.288 -6.893 -1.969
101 HZ2 TRP 14 HZ2 TRP 14 0.545 -6.126 -5.171
102 HZ3 TRP 14 HZ3 TRP 14 3.931 -8.458 -3.868
103 HH2 TRP 14 HH2 TRP 14 2.065 -8.096 -5.465
104 H PHE 15 H PHE 15 3.909 -7.261 1.892
105 HA PHE 15 HA PHE 15 5.471 -6.115 4.111
106 HB2 PHE 15 HB2 PHE 15 4.121 -8.129 4.446
107 HB3 PHE 15 HB3 PHE 15 4.969 -8.954 3.150
108 HD1 PHE 15 HD1 PHE 15 7.072 -10.060 3.532
109 HD2 PHE 15 HD2 PHE 15 5.386 -7.507 6.570
110 HE1 PHE 15 HE1 PHE 15 8.773 -10.862 5.155
111 HE2 PHE 15 HE2 PHE 15 7.083 -8.310 8.187
112 HZ PHE 15 HZ PHE 15 8.785 -9.987 7.484
113 H GLY 16 H GLY 16 7.707 -6.119 4.303
114 HA2 GLY 16 HA2 GLY 16 9.918 -6.401 3.793
115 HA3 GLY 16 HA3 GLY 16 9.439 -7.762 2.777
116 H THR 17 H THR 17 8.234 -4.569 1.968
117 HA THR 17 HA THR 17 10.370 -4.047 0.009
118 HB THR 17 HB THR 17 8.487 -5.162 -1.251
119 HG1 THR 17 HG1 THR 17 8.463 -3.498 -2.800
120 HG21 THR 17 HG21 THR 17 6.444 -4.079 -1.662
121 HG22 THR 17 HG22 THR 17 6.603 -4.180 0.105
122 HG23 THR 17 HG23 THR 17 6.922 -2.647 -0.741
123 H LYS 18 H LYS 18 10.391 -1.888 -0.671
124 HA LYS 18 HA LYS 18 9.472 0.103 1.390
125 HB2 LYS 18 HB2 LYS 18 11.885 0.153 -0.466
126 HB3 LYS 18 HB3 LYS 18 11.412 1.458 0.628
127 HG2 LYS 18 HG2 LYS 18 11.597 -0.125 2.563
128 HG3 LYS 18 HG3 LYS 18 12.214 -1.366 1.465
129 HD2 LYS 18 HD2 LYS 18 13.525 1.340 1.985
130 HD3 LYS 18 HD3 LYS 18 14.000 -0.194 2.729
131 HE2 LYS 18 HE2 LYS 18 14.492 -1.132 0.470
132 HE3 LYS 18 HE3 LYS 18 14.076 0.425 -0.259
133 HZ1 LYS 18 HZ1 LYS 18 15.900 1.431 1.008
134 HZ2 LYS 18 HZ2 LYS 18 16.286 -0.008 1.680
135 HZ3 LYS 18 HZ3 LYS 18 16.470 0.222 0.075
136 H THR 19 H THR 19 8.867 -0.828 -1.777
137 HA THR 19 HA THR 19 7.475 1.734 -2.366
138 HB THR 19 HB THR 19 9.710 1.645 -3.543
139 HG1 THR 19 HG1 THR 19 8.783 2.449 -5.412
140 HG21 THR 19 HG21 THR 19 9.658 -0.779 -4.205
141 HG22 THR 19 HG22 THR 19 8.314 -0.420 -5.312
142 HG23 THR 19 HG23 THR 19 9.909 0.319 -5.573
143 H CYS 20 H CYS 20 5.846 1.542 -4.077
144 HA CYS 20 HA CYS 20 4.379 -1.014 -3.863
145 HB2 CYS 20 HB2 CYS 20 3.573 1.674 -5.018
146 HB3 CYS 20 HB3 CYS 20 2.527 0.258 -4.917
147 HA PRO 21 HA PRO 21 5.715 -2.211 -7.991
148 HB2 PRO 21 HB2 PRO 21 3.883 -4.181 -8.524
149 HB3 PRO 21 HB3 PRO 21 5.243 -4.380 -7.378
150 HG2 PRO 21 HG2 PRO 21 2.371 -3.667 -6.749
151 HG3 PRO 21 HG3 PRO 21 3.394 -4.887 -5.940
152 HD2 PRO 21 HD2 PRO 21 3.058 -2.429 -4.892
153 HD3 PRO 21 HD3 PRO 21 4.635 -3.271 -4.783
154 H SER 22 H SER 22 5.374 -0.546 -9.371
155 HA SER 22 HA SER 22 3.022 0.943 -9.610
156 HB2 SER 22 HB2 SER 22 5.382 1.608 -10.199
157 HB3 SER 22 HB3 SER 22 5.196 0.738 -11.730
158 HG SER 22 HG SER 22 3.496 2.166 -12.266
159 H ASN 23 H ASN 23 3.981 -1.857 -11.541
160 HA ASN 23 HA ASN 23 1.998 -1.555 -13.614
161 HB2 ASN 23 HB2 ASN 23 3.601 -3.969 -12.664
162 HB3 ASN 23 HB3 ASN 23 2.594 -3.948 -14.106
163 HD21 ASN 23 HD21 ASN 23 5.762 -3.392 -13.016
164 HD22 ASN 23 HD22 ASN 23 6.302 -2.484 -14.419
165 H ARG 24 H ARG 24 1.530 -2.357 -10.336
166 HA ARG 24 HA ARG 24 -0.824 -4.073 -10.729
167 HB2 ARG 24 HB2 ARG 24 0.928 -3.945 -8.729
168 HB3 ARG 24 HB3 ARG 24 -0.112 -2.641 -8.179
169 HG2 ARG 24 HG2 ARG 24 -1.259 -4.291 -7.131
170 HG3 ARG 24 HG3 ARG 24 -1.988 -4.615 -8.697
171 HD2 ARG 24 HD2 ARG 24 -0.178 -6.293 -9.140
172 HD3 ARG 24 HD3 ARG 24 0.485 -5.961 -7.531
173 HE ARG 24 HE ARG 24 -2.285 -6.611 -7.239
174 HH11 ARG 24 HH11 ARG 24 0.652 -8.361 -8.065
175 HH12 ARG 24 HH12 ARG 24 0.004 -9.849 -7.425
176 HH21 ARG 24 HH21 ARG 24 -3.003 -8.379 -6.523
177 HH22 ARG 24 HH22 ARG 24 -2.073 -9.884 -6.542
178 H GLY 25 H GLY 25 -0.308 -0.723 -10.998
179 HA2 GLY 25 HA2 GLY 25 -1.856 0.827 -11.738
180 HA3 GLY 25 HA3 GLY 25 -3.176 -0.278 -11.368
181 H TYR 26 H TYR 26 -0.855 0.572 -8.837
182 HA TYR 26 HA TYR 26 -2.912 1.698 -7.163
183 HB2 TYR 26 HB2 TYR 26 0.116 1.693 -6.879
184 HB3 TYR 26 HB3 TYR 26 -1.001 2.225 -5.627
185 HD1 TYR 26 HD1 TYR 26 1.014 -0.463 -6.456
186 HD2 TYR 26 HD2 TYR 26 -3.074 0.385 -5.316
187 HE1 TYR 26 HE1 TYR 26 0.749 -2.772 -5.576
188 HE2 TYR 26 HE2 TYR 26 -3.329 -1.948 -4.511
189 HH TYR 26 HH TYR 26 -2.366 -4.000 -4.370
190 H THR 27 H THR 27 -3.180 3.779 -6.365
191 HA THR 27 HA THR 27 -2.240 5.977 -8.172
192 HB THR 27 HB THR 27 -4.709 5.380 -8.037
193 HG1 THR 27 HG1 THR 27 -3.832 8.016 -7.483
194 HG21 THR 27 HG21 THR 27 -4.640 7.020 -5.467
195 HG22 THR 27 HG22 THR 27 -6.047 6.312 -6.283
196 HG23 THR 27 HG23 THR 27 -4.849 5.262 -5.510
197 H GLY 28 H GLY 28 -1.897 4.798 -4.967
198 HA2 GLY 28 HA2 GLY 28 -0.044 6.873 -4.273
199 HA3 GLY 28 HA3 GLY 28 -1.557 7.099 -3.402
200 H SER 29 H SER 29 0.569 6.735 -1.886
201 HA SER 29 HA SER 29 0.291 4.081 -0.662
202 HB2 SER 29 HB2 SER 29 2.638 3.517 -0.890
203 HB3 SER 29 HB3 SER 29 1.910 3.758 -2.491
204 HG SER 29 HG SER 29 3.942 4.795 -2.349
205 H CYS 30 H CYS 30 1.544 3.821 1.321
206 HA CYS 30 HA CYS 30 2.974 6.104 2.400
207 HB2 CYS 30 HB2 CYS 30 1.670 6.472 4.368
208 HB3 CYS 30 HB3 CYS 30 0.586 6.606 2.983
209 H GLY 31 H GLY 31 4.547 5.509 3.914
210 HA2 GLY 31 HA2 GLY 31 5.253 2.725 4.022
211 HA3 GLY 31 HA3 GLY 31 6.049 4.030 4.895
212 H TYR 32 H TYR 32 4.944 1.187 5.604
213 HA TYR 32 HA TYR 32 3.632 1.981 8.156
214 HB2 TYR 32 HB2 TYR 32 2.463 0.560 6.058
215 HB3 TYR 32 HB3 TYR 32 2.982 -0.718 7.120
216 HD1 TYR 32 HD1 TYR 32 2.416 1.191 9.757
217 HD2 TYR 32 HD2 TYR 32 0.182 -0.065 6.284
218 HE1 TYR 32 HE1 TYR 32 0.307 1.521 10.998
219 HE2 TYR 32 HE2 TYR 32 -1.957 0.321 7.541
220 HH TYR 32 HH TYR 32 -1.981 1.438 10.935
221 H PHE 33 H PHE 33 3.641 -0.483 9.438
222 HA PHE 33 HA PHE 33 6.420 -0.774 10.281
223 HB2 PHE 33 HB2 PHE 33 4.472 -0.927 11.809
224 HB3 PHE 33 HB3 PHE 33 3.919 -2.353 10.929
225 HD1 PHE 33 HD1 PHE 33 7.168 -1.206 12.512
226 HD2 PHE 33 HD2 PHE 33 4.219 -4.334 12.116
227 HE1 PHE 33 HE1 PHE 33 8.468 -2.636 14.070
228 HE2 PHE 33 HE2 PHE 33 5.512 -5.747 13.692
229 HZ PHE 33 HZ PHE 33 7.641 -4.905 14.666
230 H LEU 34 H LEU 34 7.864 -2.255 9.607
231 HA LEU 34 HA LEU 34 8.941 -3.749 8.344
232 HB2 LEU 34 HB2 LEU 34 6.518 -5.495 8.812
233 HB3 LEU 34 HB3 LEU 34 8.140 -6.048 8.408
234 HG LEU 34 HG LEU 34 7.381 -4.611 10.980
235 HD11 LEU 34 HD11 LEU 34 7.670 -6.810 12.009
236 HD12 LEU 34 HD12 LEU 34 6.408 -6.843 10.762
237 HD13 LEU 34 HD13 LEU 34 8.015 -7.525 10.413
238 HD21 LEU 34 HD21 LEU 34 9.605 -5.337 11.779
239 HD22 LEU 34 HD22 LEU 34 9.997 -5.931 10.148
240 HD23 LEU 34 HD23 LEU 34 9.735 -4.194 10.441
241 H GLY 35 H GLY 35 6.551 -2.251 6.906
242 HA2 GLY 35 HA2 GLY 35 7.210 -3.025 4.173
243 HA3 GLY 35 HA3 GLY 35 5.664 -3.672 4.727
244 H ILE 36 H ILE 36 4.568 -2.483 3.182
245 HA ILE 36 HA ILE 36 4.172 0.419 3.691
246 HB ILE 36 HB ILE 36 5.900 0.536 2.154
247 HG12 ILE 36 HG12 ILE 36 3.461 0.624 0.335
248 HG13 ILE 36 HG13 ILE 36 3.819 1.832 1.547
249 HG21 ILE 36 HG21 ILE 36 4.597 -1.494 0.312
250 HG22 ILE 36 HG22 ILE 36 6.175 -0.711 0.113
251 HG23 ILE 36 HG23 ILE 36 5.945 -1.871 1.407
252 HD11 ILE 36 HD11 ILE 36 6.067 2.195 0.386
253 HD12 ILE 36 HD12 ILE 36 5.442 1.143 -0.917
254 HD13 ILE 36 HD13 ILE 36 4.633 2.671 -0.540
255 H CYS 37 H CYS 37 2.289 1.284 2.999
256 HA CYS 37 HA CYS 37 0.084 -0.575 2.285
257 HB2 CYS 37 HB2 CYS 37 -0.160 0.820 4.283
258 HB3 CYS 37 HB3 CYS 37 0.303 2.246 3.389
259 H CYS 38 H CYS 38 -0.734 -0.517 0.267
260 HA CYS 38 HA CYS 38 -0.114 1.750 -1.594
261 HB2 CYS 38 HB2 CYS 38 -0.224 -1.202 -2.224
262 HB3 CYS 38 HB3 CYS 38 0.117 0.083 -3.370
263 H TYR 39 H TYR 39 -1.913 2.531 -2.652
264 HA TYR 39 HA TYR 39 -4.470 1.042 -2.367
265 HB2 TYR 39 HB2 TYR 39 -5.586 3.169 -1.662
266 HB3 TYR 39 HB3 TYR 39 -4.560 2.384 -0.500
267 HD1 TYR 39 HD1 TYR 39 -2.741 3.478 0.536
268 HD2 TYR 39 HD2 TYR 39 -4.791 5.302 -2.793
269 HE1 TYR 39 HE1 TYR 39 -1.687 5.671 1.086
270 HE2 TYR 39 HE2 TYR 39 -3.758 7.496 -2.226
271 HH TYR 39 HH TYR 39 -2.369 8.639 -0.804
272 HA PRO 40 HA PRO 40 -6.909 1.845 -2.794
273 HB2 PRO 40 HB2 PRO 40 -8.613 0.727 -4.588
274 HB3 PRO 40 HB3 PRO 40 -8.412 2.498 -4.418
275 HG2 PRO 40 HG2 PRO 40 -7.034 0.659 -6.417
276 HG3 PRO 40 HG3 PRO 40 -7.954 2.164 -6.758
277 HD2 PRO 40 HD2 PRO 40 -5.257 2.208 -6.523
278 HD3 PRO 40 HD3 PRO 40 -6.254 3.521 -5.836
279 H VAL 41 H VAL 41 -7.889 -0.198 -2.160
280 HA VAL 41 HA VAL 41 -6.100 -2.367 -1.906
281 HB VAL 41 HB VAL 41 -7.909 -1.710 -0.339
282 HG11 VAL 41 HG11 VAL 41 -10.195 -2.424 -0.621
283 HG12 VAL 41 HG12 VAL 41 -9.761 -1.361 -1.966
284 HG13 VAL 41 HG13 VAL 41 -9.842 -3.118 -2.214
285 HG21 VAL 41 HG21 VAL 41 -8.587 -3.954 0.357
286 HG22 VAL 41 HG22 VAL 41 -8.016 -4.625 -1.182
287 HG23 VAL 41 HG23 VAL 41 -6.875 -3.868 -0.036
288 H ASP 42 H ASP 42 -5.990 -4.395 -2.806
289 HA ASP 42 HA ASP 42 -7.259 -4.788 -5.483
290 HB2 ASP 42 HB2 ASP 42 -4.959 -4.036 -5.689
291 HB3 ASP 42 HB3 ASP 42 -4.406 -5.289 -4.585
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -5.234 -11.737 -0.146
2 H2 GLY 1 H2 GLY 1 -6.178 -10.655 0.643
3 H3 GLY 1 H3 GLY 1 -5.724 -12.041 1.388
4 HA2 GLY 1 HA2 GLY 1 -3.406 -11.370 1.360
5 HA3 GLY 1 HA3 GLY 1 -3.909 -9.861 0.580
6 H THR 2 H THR 2 -3.233 -8.482 2.215
7 HA THR 2 HA THR 2 -4.760 -8.536 4.792
8 HB THR 2 HB THR 2 -1.797 -7.914 4.483
9 HG1 THR 2 HG1 THR 2 -3.102 -10.129 5.688
10 HG21 THR 2 HG21 THR 2 -2.742 -6.647 6.343
11 HG22 THR 2 HG22 THR 2 -3.564 -8.096 6.963
12 HG23 THR 2 HG23 THR 2 -1.788 -7.990 6.977
13 H THR 3 H THR 3 -5.621 -6.567 5.365
14 HA THR 3 HA THR 3 -5.474 -4.413 3.451
15 HB THR 3 HB THR 3 -6.949 -3.400 5.531
16 HG1 THR 3 HG1 THR 3 -8.188 -5.097 6.334
17 HG21 THR 3 HG21 THR 3 -7.786 -5.296 3.315
18 HG22 THR 3 HG22 THR 3 -8.907 -4.294 4.271
19 HG23 THR 3 HG23 THR 3 -7.670 -3.519 3.261
20 H CYS 4 H CYS 4 -5.160 -2.263 3.872
21 HA CYS 4 HA CYS 4 -3.674 -1.473 6.288
22 HB2 CYS 4 HB2 CYS 4 -1.917 -0.443 5.162
23 HB3 CYS 4 HB3 CYS 4 -2.084 -2.001 4.378
24 H TYR 5 H TYR 5 -3.557 1.009 6.490
25 HA TYR 5 HA TYR 5 -5.814 2.397 5.129
26 HB2 TYR 5 HB2 TYR 5 -5.404 2.314 8.141
27 HB3 TYR 5 HB3 TYR 5 -6.502 3.389 7.298
28 HD1 TYR 5 HD1 TYR 5 -5.893 -0.136 8.290
29 HD2 TYR 5 HD2 TYR 5 -8.643 2.640 6.456
30 HE1 TYR 5 HE1 TYR 5 -7.716 -1.821 8.478
31 HE2 TYR 5 HE2 TYR 5 -10.474 0.961 6.675
32 HH TYR 5 HH TYR 5 -9.936 -2.272 8.126
33 H CYS 6 H CYS 6 -5.320 4.395 4.472
34 HA CYS 6 HA CYS 6 -3.511 6.098 6.084
35 HB2 CYS 6 HB2 CYS 6 -2.785 4.962 3.421
36 HB3 CYS 6 HB3 CYS 6 -2.486 6.680 3.614
37 H GLY 7 H GLY 7 -4.175 8.206 6.104
38 HA2 GLY 7 HA2 GLY 7 -5.334 10.130 5.565
39 HA3 GLY 7 HA3 GLY 7 -4.926 9.718 3.897
40 H LYS 8 H LYS 8 -7.159 8.158 6.206
41 HA LYS 8 HA LYS 8 -9.276 7.359 6.038
42 HB2 LYS 8 HB2 LYS 8 -9.875 9.829 4.389
43 HB3 LYS 8 HB3 LYS 8 -11.042 8.808 5.231
44 HG2 LYS 8 HG2 LYS 8 -9.995 9.407 7.412
45 HG3 LYS 8 HG3 LYS 8 -8.880 10.495 6.560
46 HD2 LYS 8 HD2 LYS 8 -10.827 11.798 5.693
47 HD3 LYS 8 HD3 LYS 8 -11.922 10.701 6.539
48 HE2 LYS 8 HE2 LYS 8 -11.743 12.649 7.888
49 HE3 LYS 8 HE3 LYS 8 -10.868 11.360 8.718
50 HZ1 LYS 8 HZ1 LYS 8 -8.790 12.332 7.880
51 HZ2 LYS 8 HZ2 LYS 8 -9.607 13.500 7.075
52 HZ3 LYS 8 HZ3 LYS 8 -9.627 13.460 8.705
53 H THR 9 H THR 9 -7.333 6.627 3.888
54 HA THR 9 HA THR 9 -9.231 5.415 1.929
55 HB THR 9 HB THR 9 -6.344 6.227 1.383
56 HG1 THR 9 HG1 THR 9 -7.659 8.039 1.535
57 HG21 THR 9 HG21 THR 9 -6.974 5.797 -0.966
58 HG22 THR 9 HG22 THR 9 -7.101 4.330 0.012
59 HG23 THR 9 HG23 THR 9 -8.572 5.219 -0.442
60 H ILE 10 H ILE 10 -9.417 3.354 2.372
61 HA ILE 10 HA ILE 10 -7.381 1.748 3.712
62 HB ILE 10 HB ILE 10 -9.789 1.448 4.084
63 HG12 ILE 10 HG12 ILE 10 -8.479 -1.020 2.862
64 HG13 ILE 10 HG13 ILE 10 -8.308 -0.439 4.523
65 HG21 ILE 10 HG21 ILE 10 -9.923 0.416 1.232
66 HG22 ILE 10 HG22 ILE 10 -11.271 0.567 2.387
67 HG23 ILE 10 HG23 ILE 10 -10.489 2.016 1.757
68 HD11 ILE 10 HD11 ILE 10 -10.804 -1.572 3.224
69 HD12 ILE 10 HD12 ILE 10 -9.886 -2.210 4.597
70 HD13 ILE 10 HD13 ILE 10 -10.824 -0.720 4.786
71 H GLY 11 H GLY 11 -6.135 0.113 2.800
72 HA2 GLY 11 HA2 GLY 11 -5.994 -0.169 -0.163
73 HA3 GLY 11 HA3 GLY 11 -4.591 0.376 0.747
74 H ILE 12 H ILE 12 -3.789 -1.506 -0.400
75 HA ILE 12 HA ILE 12 -4.081 -4.078 1.044
76 HB ILE 12 HB ILE 12 -3.775 -3.372 -1.746
77 HG12 ILE 12 HG12 ILE 12 -5.311 -5.019 -0.949
78 HG13 ILE 12 HG13 ILE 12 -4.227 -5.669 -2.175
79 HG21 ILE 12 HG21 ILE 12 -1.431 -3.433 -1.626
80 HG22 ILE 12 HG22 ILE 12 -1.420 -5.014 -0.799
81 HG23 ILE 12 HG23 ILE 12 -2.001 -4.888 -2.461
82 HD11 ILE 12 HD11 ILE 12 -4.199 -6.291 0.778
83 HD12 ILE 12 HD12 ILE 12 -4.556 -7.379 -0.560
84 HD13 ILE 12 HD13 ILE 12 -2.899 -6.791 -0.334
85 H TYR 13 H TYR 13 -2.363 -4.969 2.046
86 HA TYR 13 HA TYR 13 -0.050 -3.166 2.617
87 HB2 TYR 13 HB2 TYR 13 -1.224 -3.984 4.571
88 HB3 TYR 13 HB3 TYR 13 -1.086 -5.641 4.008
89 HD1 TYR 13 HD1 TYR 13 1.303 -2.744 4.542
90 HD2 TYR 13 HD2 TYR 13 0.438 -6.930 5.168
91 HE1 TYR 13 HE1 TYR 13 3.500 -3.034 5.686
92 HE2 TYR 13 HE2 TYR 13 2.611 -7.205 6.330
93 HH TYR 13 HH TYR 13 4.518 -6.207 7.021
94 H TRP 14 H TRP 14 1.891 -3.472 1.801
95 HA TRP 14 HA TRP 14 2.671 -6.134 0.668
96 HB2 TRP 14 HB2 TRP 14 3.494 -3.316 -0.053
97 HB3 TRP 14 HB3 TRP 14 4.389 -4.740 -0.559
98 HD1 TRP 14 HD1 TRP 14 1.197 -2.836 -1.296
99 HE1 TRP 14 HE1 TRP 14 0.077 -3.789 -3.419
100 HE3 TRP 14 HE3 TRP 14 4.189 -6.931 -2.042
101 HZ2 TRP 14 HZ2 TRP 14 0.413 -6.031 -5.161
102 HZ3 TRP 14 HZ3 TRP 14 3.767 -8.456 -3.960
103 HH2 TRP 14 HH2 TRP 14 1.883 -8.024 -5.520
104 H PHE 15 H PHE 15 4.066 -7.242 1.812
105 HA PHE 15 HA PHE 15 5.738 -5.945 3.903
106 HB2 PHE 15 HB2 PHE 15 4.310 -7.747 4.662
107 HB3 PHE 15 HB3 PHE 15 4.896 -8.812 3.397
108 HD1 PHE 15 HD1 PHE 15 6.225 -10.539 4.218
109 HD2 PHE 15 HD2 PHE 15 6.558 -6.640 6.037
110 HE1 PHE 15 HE1 PHE 15 7.982 -11.394 5.746
111 HE2 PHE 15 HE2 PHE 15 8.311 -7.498 7.557
112 HZ PHE 15 HZ PHE 15 9.029 -9.877 7.419
113 H GLY 16 H GLY 16 7.956 -6.196 3.991
114 HA2 GLY 16 HA2 GLY 16 10.104 -6.726 3.357
115 HA3 GLY 16 HA3 GLY 16 9.450 -7.992 2.317
116 H THR 17 H THR 17 8.436 -4.671 1.791
117 HA THR 17 HA THR 17 10.450 -4.152 -0.271
118 HB THR 17 HB THR 17 8.513 -5.251 -1.440
119 HG1 THR 17 HG1 THR 17 8.502 -3.631 -3.026
120 HG21 THR 17 HG21 THR 17 6.676 -4.187 -0.042
121 HG22 THR 17 HG22 THR 17 6.993 -2.696 -0.962
122 HG23 THR 17 HG23 THR 17 6.465 -4.157 -1.804
123 H LYS 18 H LYS 18 10.470 -1.969 -0.904
124 HA LYS 18 HA LYS 18 9.771 -0.067 1.312
125 HB2 LYS 18 HB2 LYS 18 12.170 -0.617 0.823
126 HB3 LYS 18 HB3 LYS 18 11.975 0.080 -0.788
127 HG2 LYS 18 HG2 LYS 18 11.547 2.300 0.199
128 HG3 LYS 18 HG3 LYS 18 11.541 1.599 1.824
129 HD2 LYS 18 HD2 LYS 18 13.647 2.719 1.433
130 HD3 LYS 18 HD3 LYS 18 13.931 0.977 1.563
131 HE2 LYS 18 HE2 LYS 18 14.038 0.810 -0.918
132 HE3 LYS 18 HE3 LYS 18 13.703 2.542 -1.054
133 HZ1 LYS 18 HZ1 LYS 18 16.102 1.366 0.252
134 HZ2 LYS 18 HZ2 LYS 18 16.082 2.078 -1.214
135 HZ3 LYS 18 HZ3 LYS 18 15.796 2.968 0.122
136 H THR 19 H THR 19 9.091 -0.707 -1.987
137 HA THR 19 HA THR 19 7.702 1.916 -2.291
138 HB THR 19 HB THR 19 9.905 1.860 -3.541
139 HG1 THR 19 HG1 THR 19 8.947 2.862 -5.290
140 HG21 THR 19 HG21 THR 19 8.373 0.005 -5.427
141 HG22 THR 19 HG22 THR 19 9.982 0.714 -5.689
142 HG23 THR 19 HG23 THR 19 9.746 -0.492 -4.412
143 H CYS 20 H CYS 20 6.039 1.881 -4.024
144 HA CYS 20 HA CYS 20 4.487 -0.609 -3.827
145 HB2 CYS 20 HB2 CYS 20 3.600 1.899 -3.658
146 HB3 CYS 20 HB3 CYS 20 3.543 1.769 -5.402
147 HA PRO 21 HA PRO 21 5.942 -1.993 -7.825
148 HB2 PRO 21 HB2 PRO 21 4.038 -3.925 -8.393
149 HB3 PRO 21 HB3 PRO 21 5.400 -4.137 -7.251
150 HG2 PRO 21 HG2 PRO 21 2.536 -3.412 -6.631
151 HG3 PRO 21 HG3 PRO 21 3.595 -4.574 -5.773
152 HD2 PRO 21 HD2 PRO 21 3.139 -2.075 -4.857
153 HD3 PRO 21 HD3 PRO 21 4.719 -2.870 -4.656
154 H SER 22 H SER 22 5.854 -0.799 -9.510
155 HA SER 22 HA SER 22 3.940 1.115 -10.036
156 HB2 SER 22 HB2 SER 22 5.929 -0.024 -12.034
157 HB3 SER 22 HB3 SER 22 5.261 1.615 -11.996
158 HG SER 22 HG SER 22 6.366 1.986 -10.051
159 H ASN 23 H ASN 23 4.057 -2.113 -11.470
160 HA ASN 23 HA ASN 23 2.230 -1.417 -13.656
161 HB2 ASN 23 HB2 ASN 23 3.478 -4.052 -12.787
162 HB3 ASN 23 HB3 ASN 23 2.536 -3.824 -14.257
163 HD21 ASN 23 HD21 ASN 23 5.650 -4.149 -13.352
164 HD22 ASN 23 HD22 ASN 23 6.394 -3.118 -14.565
165 H ARG 24 H ARG 24 1.605 -2.066 -10.441
166 HA ARG 24 HA ARG 24 -0.767 -3.787 -10.768
167 HB2 ARG 24 HB2 ARG 24 0.624 -2.516 -8.421
168 HB3 ARG 24 HB3 ARG 24 -0.875 -3.428 -8.271
169 HG2 ARG 24 HG2 ARG 24 1.041 -4.921 -9.950
170 HG3 ARG 24 HG3 ARG 24 1.777 -4.466 -8.429
171 HD2 ARG 24 HD2 ARG 24 0.764 -6.608 -8.188
172 HD3 ARG 24 HD3 ARG 24 -0.108 -5.429 -7.202
173 HE ARG 24 HE ARG 24 -1.064 -6.580 -9.806
174 HH11 ARG 24 HH11 ARG 24 -1.975 -5.139 -6.679
175 HH12 ARG 24 HH12 ARG 24 -3.650 -5.631 -6.959
176 HH21 ARG 24 HH21 ARG 24 -3.286 -7.045 -9.939
177 HH22 ARG 24 HH22 ARG 24 -4.295 -6.590 -8.565
178 H GLY 25 H GLY 25 -0.329 -0.448 -11.082
179 HA2 GLY 25 HA2 GLY 25 -1.915 1.092 -11.755
180 HA3 GLY 25 HA3 GLY 25 -3.192 -0.087 -11.454
181 H TYR 26 H TYR 26 -0.984 0.712 -8.834
182 HA TYR 26 HA TYR 26 -3.122 1.643 -7.160
183 HB2 TYR 26 HB2 TYR 26 -0.105 1.703 -6.800
184 HB3 TYR 26 HB3 TYR 26 -1.257 2.119 -5.538
185 HD1 TYR 26 HD1 TYR 26 0.863 -0.426 -6.442
186 HD2 TYR 26 HD2 TYR 26 -3.276 0.220 -5.365
187 HE1 TYR 26 HE1 TYR 26 0.623 -2.823 -5.789
188 HE2 TYR 26 HE2 TYR 26 -3.480 -2.153 -4.689
189 HH TYR 26 HH TYR 26 -2.426 -4.181 -4.542
190 H THR 27 H THR 27 -3.626 3.676 -6.361
191 HA THR 27 HA THR 27 -2.826 5.975 -8.067
192 HB THR 27 HB THR 27 -4.676 7.159 -6.980
193 HG1 THR 27 HG1 THR 27 -6.026 6.046 -5.590
194 HG21 THR 27 HG21 THR 27 -5.130 5.799 -9.015
195 HG22 THR 27 HG22 THR 27 -5.560 4.416 -7.985
196 HG23 THR 27 HG23 THR 27 -6.532 5.902 -7.937
197 H GLY 28 H GLY 28 -2.063 4.661 -4.976
198 HA2 GLY 28 HA2 GLY 28 0.055 6.516 -4.587
199 HA3 GLY 28 HA3 GLY 28 -1.269 6.952 -3.509
200 H SER 29 H SER 29 0.960 6.368 -2.294
201 HA SER 29 HA SER 29 0.354 3.965 -0.779
202 HB2 SER 29 HB2 SER 29 2.550 2.924 -1.001
203 HB3 SER 29 HB3 SER 29 1.719 2.989 -2.554
204 HG SER 29 HG SER 29 2.987 4.830 -3.090
205 H CYS 30 H CYS 30 1.693 3.722 1.141
206 HA CYS 30 HA CYS 30 3.227 6.052 2.110
207 HB2 CYS 30 HB2 CYS 30 1.795 6.236 4.126
208 HB3 CYS 30 HB3 CYS 30 0.902 6.654 2.660
209 H GLY 31 H GLY 31 4.724 5.500 3.714
210 HA2 GLY 31 HA2 GLY 31 5.467 2.754 3.973
211 HA3 GLY 31 HA3 GLY 31 6.092 4.077 4.956
212 H TYR 32 H TYR 32 5.031 1.202 5.524
213 HA TYR 32 HA TYR 32 3.033 1.874 7.650
214 HB2 TYR 32 HB2 TYR 32 2.339 0.738 5.355
215 HB3 TYR 32 HB3 TYR 32 2.964 -0.715 6.110
216 HD1 TYR 32 HD1 TYR 32 1.300 -2.029 7.210
217 HD2 TYR 32 HD2 TYR 32 0.755 2.243 6.888
218 HE1 TYR 32 HE1 TYR 32 -0.977 -2.236 8.198
219 HE2 TYR 32 HE2 TYR 32 -1.493 2.036 7.919
220 HH TYR 32 HH TYR 32 -3.033 0.622 8.870
221 H PHE 33 H PHE 33 2.801 -0.167 9.193
222 HA PHE 33 HA PHE 33 5.328 -0.477 10.508
223 HB2 PHE 33 HB2 PHE 33 3.116 -0.633 11.618
224 HB3 PHE 33 HB3 PHE 33 2.827 -2.156 10.764
225 HD1 PHE 33 HD1 PHE 33 5.543 -0.609 12.902
226 HD2 PHE 33 HD2 PHE 33 3.139 -4.092 12.050
227 HE1 PHE 33 HE1 PHE 33 6.663 -1.837 14.745
228 HE2 PHE 33 HE2 PHE 33 4.249 -5.307 13.908
229 HZ PHE 33 HZ PHE 33 6.018 -4.187 15.252
230 H LEU 34 H LEU 34 6.967 -1.735 10.046
231 HA LEU 34 HA LEU 34 8.352 -3.199 9.154
232 HB2 LEU 34 HB2 LEU 34 6.088 -5.196 9.223
233 HB3 LEU 34 HB3 LEU 34 7.805 -5.565 9.171
234 HG LEU 34 HG LEU 34 6.395 -4.171 11.485
235 HD11 LEU 34 HD11 LEU 34 7.425 -7.009 11.163
236 HD12 LEU 34 HD12 LEU 34 6.714 -6.307 12.641
237 HD13 LEU 34 HD13 LEU 34 5.722 -6.495 11.181
238 HD21 LEU 34 HD21 LEU 34 9.250 -5.208 11.237
239 HD22 LEU 34 HD22 LEU 34 8.754 -3.504 11.391
240 HD23 LEU 34 HD23 LEU 34 8.482 -4.620 12.731
241 H GLY 35 H GLY 35 6.059 -2.028 7.208
242 HA2 GLY 35 HA2 GLY 35 7.434 -2.840 4.732
243 HA3 GLY 35 HA3 GLY 35 5.824 -3.529 4.919
244 H ILE 36 H ILE 36 4.751 -2.480 3.322
245 HA ILE 36 HA ILE 36 4.326 0.451 3.588
246 HB ILE 36 HB ILE 36 6.055 0.492 2.054
247 HG12 ILE 36 HG12 ILE 36 3.596 0.430 0.251
248 HG13 ILE 36 HG13 ILE 36 3.911 1.712 1.393
249 HG21 ILE 36 HG21 ILE 36 4.789 -1.644 0.317
250 HG22 ILE 36 HG22 ILE 36 6.359 -0.849 0.103
251 HG23 ILE 36 HG23 ILE 36 6.123 -1.952 1.447
252 HD11 ILE 36 HD11 ILE 36 5.615 0.968 -0.991
253 HD12 ILE 36 HD12 ILE 36 4.666 2.435 -0.765
254 HD13 ILE 36 HD13 ILE 36 6.102 2.165 0.239
255 H CYS 37 H CYS 37 2.418 1.222 2.969
256 HA CYS 37 HA CYS 37 0.213 -0.699 2.378
257 HB2 CYS 37 HB2 CYS 37 -0.044 0.499 4.422
258 HB3 CYS 37 HB3 CYS 37 0.461 2.004 3.702
259 H CYS 38 H CYS 38 -0.685 -0.601 0.402
260 HA CYS 38 HA CYS 38 -0.240 1.736 -1.426
261 HB2 CYS 38 HB2 CYS 38 -0.290 -1.249 -1.967
262 HB3 CYS 38 HB3 CYS 38 -0.385 -0.027 -3.220
263 H TYR 39 H TYR 39 -2.060 2.381 -2.671
264 HA TYR 39 HA TYR 39 -4.603 0.946 -2.194
265 HB2 TYR 39 HB2 TYR 39 -5.696 3.173 -1.621
266 HB3 TYR 39 HB3 TYR 39 -4.748 2.367 -0.399
267 HD1 TYR 39 HD1 TYR 39 -2.881 3.391 0.636
268 HD2 TYR 39 HD2 TYR 39 -4.714 5.195 -2.833
269 HE1 TYR 39 HE1 TYR 39 -1.566 5.472 1.025
270 HE2 TYR 39 HE2 TYR 39 -3.442 7.296 -2.405
271 HH TYR 39 HH TYR 39 -1.121 7.611 0.305
272 HA PRO 40 HA PRO 40 -7.024 1.755 -2.635
273 HB2 PRO 40 HB2 PRO 40 -8.766 0.598 -4.372
274 HB3 PRO 40 HB3 PRO 40 -8.553 2.369 -4.243
275 HG2 PRO 40 HG2 PRO 40 -7.232 0.480 -6.231
276 HG3 PRO 40 HG3 PRO 40 -8.134 1.992 -6.582
277 HD2 PRO 40 HD2 PRO 40 -5.429 1.985 -6.398
278 HD3 PRO 40 HD3 PRO 40 -6.386 3.338 -5.728
279 H VAL 41 H VAL 41 -7.991 -0.251 -1.905
280 HA VAL 41 HA VAL 41 -6.238 -2.484 -1.723
281 HB VAL 41 HB VAL 41 -7.917 -1.783 -0.039
282 HG11 VAL 41 HG11 VAL 41 -10.018 -3.112 -1.784
283 HG12 VAL 41 HG12 VAL 41 -10.236 -2.415 -0.168
284 HG13 VAL 41 HG13 VAL 41 -9.862 -1.359 -1.536
285 HG21 VAL 41 HG21 VAL 41 -8.615 -4.022 0.670
286 HG22 VAL 41 HG22 VAL 41 -8.162 -4.680 -0.913
287 HG23 VAL 41 HG23 VAL 41 -6.928 -3.977 0.167
288 H ASP 42 H ASP 42 -6.135 -4.435 -2.768
289 HA ASP 42 HA ASP 42 -7.030 -4.534 -5.490
290 HB2 ASP 42 HB2 ASP 42 -4.879 -5.437 -4.656
291 HB3 ASP 42 HB3 ASP 42 -5.750 -6.715 -3.811
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -1.634 -11.993 2.228
2 H2 GLY 1 H2 GLY 1 -0.565 -11.718 3.435
3 H3 GLY 1 H3 GLY 1 -0.080 -11.614 1.872
4 HA2 GLY 1 HA2 GLY 1 -0.335 -9.406 2.798
5 HA3 GLY 1 HA3 GLY 1 -1.479 -9.704 1.479
6 H THR 2 H THR 2 -1.972 -7.706 3.303
7 HA THR 2 HA THR 2 -4.561 -8.522 4.378
8 HB THR 2 HB THR 2 -2.860 -8.981 6.223
9 HG1 THR 2 HG1 THR 2 -4.924 -8.825 6.825
10 HG21 THR 2 HG21 THR 2 -1.443 -6.993 5.998
11 HG22 THR 2 HG22 THR 2 -2.791 -5.959 6.509
12 HG23 THR 2 HG23 THR 2 -2.119 -7.165 7.620
13 H THR 3 H THR 3 -5.648 -6.403 5.421
14 HA THR 3 HA THR 3 -5.476 -4.326 3.393
15 HB THR 3 HB THR 3 -7.127 -3.312 5.374
16 HG1 THR 3 HG1 THR 3 -8.442 -5.027 5.990
17 HG21 THR 3 HG21 THR 3 -7.625 -3.348 3.045
18 HG22 THR 3 HG22 THR 3 -7.736 -5.126 3.018
19 HG23 THR 3 HG23 THR 3 -8.952 -4.166 3.895
20 H CYS 4 H CYS 4 -5.149 -2.174 3.704
21 HA CYS 4 HA CYS 4 -3.742 -1.305 6.154
22 HB2 CYS 4 HB2 CYS 4 -1.939 -0.351 5.036
23 HB3 CYS 4 HB3 CYS 4 -2.108 -1.941 4.314
24 H TYR 5 H TYR 5 -3.717 1.110 6.431
25 HA TYR 5 HA TYR 5 -5.875 2.513 4.910
26 HB2 TYR 5 HB2 TYR 5 -5.665 2.349 7.937
27 HB3 TYR 5 HB3 TYR 5 -6.729 3.432 7.057
28 HD1 TYR 5 HD1 TYR 5 -6.094 -0.117 7.948
29 HD2 TYR 5 HD2 TYR 5 -8.811 2.677 6.093
30 HE1 TYR 5 HE1 TYR 5 -7.891 -1.850 7.957
31 HE2 TYR 5 HE2 TYR 5 -10.610 0.959 6.139
32 HH TYR 5 HH TYR 5 -11.191 -1.181 6.736
33 H CYS 6 H CYS 6 -5.339 4.520 4.297
34 HA CYS 6 HA CYS 6 -3.728 6.210 6.117
35 HB2 CYS 6 HB2 CYS 6 -2.697 5.121 3.552
36 HB3 CYS 6 HB3 CYS 6 -2.488 6.853 3.740
37 H GLY 7 H GLY 7 -4.422 8.292 6.162
38 HA2 GLY 7 HA2 GLY 7 -5.630 10.188 5.649
39 HA3 GLY 7 HA3 GLY 7 -5.179 9.866 3.972
40 H LYS 8 H LYS 8 -7.321 7.972 6.103
41 HA LYS 8 HA LYS 8 -9.336 7.007 5.797
42 HB2 LYS 8 HB2 LYS 8 -9.878 9.532 6.051
43 HB3 LYS 8 HB3 LYS 8 -10.326 9.455 4.344
44 HG2 LYS 8 HG2 LYS 8 -11.996 7.669 4.904
45 HG3 LYS 8 HG3 LYS 8 -11.498 7.751 6.600
46 HD2 LYS 8 HD2 LYS 8 -12.211 10.118 6.701
47 HD3 LYS 8 HD3 LYS 8 -12.705 10.067 5.006
48 HE2 LYS 8 HE2 LYS 8 -13.860 8.298 7.215
49 HE3 LYS 8 HE3 LYS 8 -14.573 9.824 6.689
50 HZ1 LYS 8 HZ1 LYS 8 -14.211 7.442 4.952
51 HZ2 LYS 8 HZ2 LYS 8 -15.626 7.963 5.571
52 HZ3 LYS 8 HZ3 LYS 8 -14.844 8.869 4.464
53 H THR 9 H THR 9 -7.314 6.725 3.648
54 HA THR 9 HA THR 9 -9.041 5.559 1.511
55 HB THR 9 HB THR 9 -6.128 6.389 1.199
56 HG1 THR 9 HG1 THR 9 -7.450 8.211 1.453
57 HG21 THR 9 HG21 THR 9 -6.894 4.627 -0.351
58 HG22 THR 9 HG22 THR 9 -8.311 5.605 -0.793
59 HG23 THR 9 HG23 THR 9 -6.675 6.162 -1.206
60 H ILE 10 H ILE 10 -9.251 3.491 1.902
61 HA ILE 10 HA ILE 10 -7.318 1.862 3.344
62 HB ILE 10 HB ILE 10 -9.750 1.576 3.536
63 HG12 ILE 10 HG12 ILE 10 -8.364 -0.897 2.408
64 HG13 ILE 10 HG13 ILE 10 -8.309 -0.320 4.078
65 HG21 ILE 10 HG21 ILE 10 -11.103 0.715 1.729
66 HG22 ILE 10 HG22 ILE 10 -10.253 2.149 1.151
67 HG23 ILE 10 HG23 ILE 10 -9.669 0.537 0.685
68 HD11 ILE 10 HD11 ILE 10 -10.851 -0.578 4.136
69 HD12 ILE 10 HD12 ILE 10 -10.704 -1.439 2.586
70 HD13 ILE 10 HD13 ILE 10 -9.910 -2.074 4.035
71 H GLY 11 H GLY 11 -6.050 0.205 2.521
72 HA2 GLY 11 HA2 GLY 11 -5.728 -0.124 -0.413
73 HA3 GLY 11 HA3 GLY 11 -4.359 0.400 0.551
74 H ILE 12 H ILE 12 -3.550 -1.502 -0.494
75 HA ILE 12 HA ILE 12 -3.965 -4.018 1.016
76 HB ILE 12 HB ILE 12 -3.705 -3.430 -1.769
77 HG12 ILE 12 HG12 ILE 12 -5.169 -5.068 -0.917
78 HG13 ILE 12 HG13 ILE 12 -4.083 -5.756 -2.117
79 HG21 ILE 12 HG21 ILE 12 -1.892 -4.881 -2.494
80 HG22 ILE 12 HG22 ILE 12 -1.370 -3.371 -1.722
81 HG23 ILE 12 HG23 ILE 12 -1.254 -4.932 -0.851
82 HD11 ILE 12 HD11 ILE 12 -2.702 -6.777 -0.288
83 HD12 ILE 12 HD12 ILE 12 -3.922 -6.212 0.878
84 HD13 ILE 12 HD13 ILE 12 -4.368 -7.379 -0.366
85 H TYR 13 H TYR 13 -2.271 -4.927 2.086
86 HA TYR 13 HA TYR 13 0.053 -3.146 2.629
87 HB2 TYR 13 HB2 TYR 13 -1.173 -3.943 4.571
88 HB3 TYR 13 HB3 TYR 13 -0.952 -5.610 4.062
89 HD1 TYR 13 HD1 TYR 13 1.271 -2.594 4.543
90 HD2 TYR 13 HD2 TYR 13 0.635 -6.799 5.301
91 HE1 TYR 13 HE1 TYR 13 3.423 -2.703 5.776
92 HE2 TYR 13 HE2 TYR 13 2.754 -6.882 6.592
93 HH TYR 13 HH TYR 13 4.569 -5.736 7.317
94 H TRP 14 H TRP 14 1.951 -3.442 1.807
95 HA TRP 14 HA TRP 14 2.780 -6.105 0.704
96 HB2 TRP 14 HB2 TRP 14 3.526 -3.285 -0.087
97 HB3 TRP 14 HB3 TRP 14 4.480 -4.676 -0.546
98 HD1 TRP 14 HD1 TRP 14 1.260 -2.922 -1.363
99 HE1 TRP 14 HE1 TRP 14 0.135 -4.011 -3.403
100 HE3 TRP 14 HE3 TRP 14 4.314 -6.993 -1.876
101 HZ2 TRP 14 HZ2 TRP 14 0.509 -6.377 -5.031
102 HZ3 TRP 14 HZ3 TRP 14 3.908 -8.653 -3.680
103 HH2 TRP 14 HH2 TRP 14 2.009 -8.359 -5.253
104 H PHE 15 H PHE 15 4.096 -7.184 1.947
105 HA PHE 15 HA PHE 15 5.867 -5.815 3.909
106 HB2 PHE 15 HB2 PHE 15 4.406 -7.491 4.844
107 HB3 PHE 15 HB3 PHE 15 4.894 -8.672 3.638
108 HD1 PHE 15 HD1 PHE 15 6.408 -10.313 4.327
109 HD2 PHE 15 HD2 PHE 15 6.545 -6.433 6.216
110 HE1 PHE 15 HE1 PHE 15 8.229 -11.099 5.820
111 HE2 PHE 15 HE2 PHE 15 8.380 -7.226 7.691
112 HZ PHE 15 HZ PHE 15 9.219 -9.556 7.501
113 H GLY 16 H GLY 16 8.076 -6.157 3.957
114 HA2 GLY 16 HA2 GLY 16 10.186 -6.799 3.272
115 HA3 GLY 16 HA3 GLY 16 9.457 -8.039 2.248
116 H THR 17 H THR 17 8.497 -4.703 1.759
117 HA THR 17 HA THR 17 10.484 -4.186 -0.330
118 HB THR 17 HB THR 17 8.520 -5.255 -1.503
119 HG1 THR 17 HG1 THR 17 8.453 -3.559 -3.035
120 HG21 THR 17 HG21 THR 17 7.038 -2.704 -0.878
121 HG22 THR 17 HG22 THR 17 6.481 -4.098 -1.813
122 HG23 THR 17 HG23 THR 17 6.719 -4.250 -0.059
123 H LYS 18 H LYS 18 10.437 -1.996 -0.995
124 HA LYS 18 HA LYS 18 9.757 -0.067 1.204
125 HB2 LYS 18 HB2 LYS 18 11.570 1.282 0.357
126 HB3 LYS 18 HB3 LYS 18 12.125 -0.363 0.705
127 HG2 LYS 18 HG2 LYS 18 12.038 -0.865 -1.759
128 HG3 LYS 18 HG3 LYS 18 11.579 0.824 -2.051
129 HD2 LYS 18 HD2 LYS 18 13.715 1.571 -0.982
130 HD3 LYS 18 HD3 LYS 18 14.133 -0.116 -0.675
131 HE2 LYS 18 HE2 LYS 18 15.365 0.500 -2.590
132 HE3 LYS 18 HE3 LYS 18 14.063 -0.547 -3.158
133 HZ1 LYS 18 HZ1 LYS 18 14.060 2.429 -3.299
134 HZ2 LYS 18 HZ2 LYS 18 14.338 1.432 -4.557
135 HZ3 LYS 18 HZ3 LYS 18 12.863 1.467 -3.866
136 H THR 19 H THR 19 9.098 -0.765 -2.048
137 HA THR 19 HA THR 19 7.460 1.718 -2.382
138 HB THR 19 HB THR 19 9.646 1.811 -3.627
139 HG1 THR 19 HG1 THR 19 8.624 2.673 -5.420
140 HG21 THR 19 HG21 THR 19 9.709 -0.564 -4.422
141 HG22 THR 19 HG22 THR 19 8.298 -0.236 -5.452
142 HG23 THR 19 HG23 THR 19 9.834 0.609 -5.744
143 H CYS 20 H CYS 20 5.844 1.543 -4.161
144 HA CYS 20 HA CYS 20 4.413 -1.027 -3.949
145 HB2 CYS 20 HB2 CYS 20 3.561 1.645 -5.106
146 HB3 CYS 20 HB3 CYS 20 2.529 0.218 -4.978
147 HA PRO 21 HA PRO 21 5.616 -2.157 -8.141
148 HB2 PRO 21 HB2 PRO 21 3.845 -4.184 -8.614
149 HB3 PRO 21 HB3 PRO 21 5.264 -4.334 -7.534
150 HG2 PRO 21 HG2 PRO 21 2.390 -3.818 -6.781
151 HG3 PRO 21 HG3 PRO 21 3.539 -4.928 -5.981
152 HD2 PRO 21 HD2 PRO 21 3.009 -2.445 -5.009
153 HD3 PRO 21 HD3 PRO 21 4.613 -3.225 -4.847
154 H SER 22 H SER 22 5.155 -0.349 -9.257
155 HA SER 22 HA SER 22 2.751 1.026 -9.400
156 HB2 SER 22 HB2 SER 22 5.080 1.832 -9.923
157 HB3 SER 22 HB3 SER 22 4.921 1.106 -11.532
158 HG SER 22 HG SER 22 3.170 2.514 -11.929
159 H ASN 23 H ASN 23 3.798 -1.533 -11.614
160 HA ASN 23 HA ASN 23 1.826 -1.057 -13.657
161 HB2 ASN 23 HB2 ASN 23 3.447 -3.538 -12.937
162 HB3 ASN 23 HB3 ASN 23 2.461 -3.377 -14.386
163 HD21 ASN 23 HD21 ASN 23 5.604 -2.878 -13.174
164 HD22 ASN 23 HD22 ASN 23 6.155 -1.837 -14.476
165 H ARG 24 H ARG 24 1.358 -2.238 -10.495
166 HA ARG 24 HA ARG 24 -1.003 -3.883 -11.115
167 HB2 ARG 24 HB2 ARG 24 0.759 -4.310 -9.362
168 HB3 ARG 24 HB3 ARG 24 0.036 -3.023 -8.409
169 HG2 ARG 24 HG2 ARG 24 -1.886 -4.267 -7.935
170 HG3 ARG 24 HG3 ARG 24 -1.794 -5.196 -9.446
171 HD2 ARG 24 HD2 ARG 24 0.106 -6.452 -8.653
172 HD3 ARG 24 HD3 ARG 24 0.159 -5.525 -7.144
173 HE ARG 24 HE ARG 24 -2.400 -6.526 -7.098
174 HH11 ARG 24 HH11 ARG 24 0.610 -8.268 -7.634
175 HH12 ARG 24 HH12 ARG 24 -0.072 -9.741 -6.997
176 HH21 ARG 24 HH21 ARG 24 -3.147 -8.283 -6.369
177 HH22 ARG 24 HH22 ARG 24 -2.195 -9.772 -6.259
178 H GLY 25 H GLY 25 -0.506 -0.606 -10.926
179 HA2 GLY 25 HA2 GLY 25 -2.101 0.982 -11.498
180 HA3 GLY 25 HA3 GLY 25 -3.396 -0.154 -11.129
181 H TYR 26 H TYR 26 -0.967 0.507 -8.663
182 HA TYR 26 HA TYR 26 -2.909 1.648 -6.856
183 HB2 TYR 26 HB2 TYR 26 0.124 1.556 -6.689
184 HB3 TYR 26 HB3 TYR 26 -0.950 2.038 -5.378
185 HD1 TYR 26 HD1 TYR 26 0.872 -0.700 -6.686
186 HD2 TYR 26 HD2 TYR 26 -2.910 0.279 -4.837
187 HE1 TYR 26 HE1 TYR 26 0.531 -3.077 -6.066
188 HE2 TYR 26 HE2 TYR 26 -3.218 -2.104 -4.207
189 HH TYR 26 HH TYR 26 -0.933 -4.643 -5.291
190 H THR 27 H THR 27 -3.310 3.736 -6.260
191 HA THR 27 HA THR 27 -2.294 5.897 -8.052
192 HB THR 27 HB THR 27 -4.241 7.171 -7.305
193 HG1 THR 27 HG1 THR 27 -5.778 6.192 -6.013
194 HG21 THR 27 HG21 THR 27 -5.992 5.884 -8.397
195 HG22 THR 27 HG22 THR 27 -4.470 5.657 -9.274
196 HG23 THR 27 HG23 THR 27 -5.075 4.375 -8.201
197 H GLY 28 H GLY 28 -1.944 4.766 -4.816
198 HA2 GLY 28 HA2 GLY 28 0.005 6.803 -4.228
199 HA3 GLY 28 HA3 GLY 28 -1.468 7.064 -3.300
200 H SER 29 H SER 29 0.666 6.687 -1.828
201 HA SER 29 HA SER 29 0.416 4.028 -0.604
202 HB2 SER 29 HB2 SER 29 2.741 3.454 -0.886
203 HB3 SER 29 HB3 SER 29 1.995 3.725 -2.473
204 HG SER 29 HG SER 29 4.037 4.744 -2.348
205 H CYS 30 H CYS 30 1.678 3.756 1.349
206 HA CYS 30 HA CYS 30 3.145 6.008 2.457
207 HB2 CYS 30 HB2 CYS 30 1.789 6.319 4.448
208 HB3 CYS 30 HB3 CYS 30 0.775 6.575 3.025
209 H GLY 31 H GLY 31 4.582 5.426 4.146
210 HA2 GLY 31 HA2 GLY 31 5.383 2.680 4.264
211 HA3 GLY 31 HA3 GLY 31 5.940 3.964 5.339
212 H TYR 32 H TYR 32 4.782 1.009 5.632
213 HA TYR 32 HA TYR 32 2.830 1.575 7.829
214 HB2 TYR 32 HB2 TYR 32 1.945 1.069 5.399
215 HB3 TYR 32 HB3 TYR 32 2.397 -0.579 5.753
216 HD1 TYR 32 HD1 TYR 32 0.290 2.289 6.769
217 HD2 TYR 32 HD2 TYR 32 0.977 -1.943 7.186
218 HE1 TYR 32 HE1 TYR 32 -1.973 2.021 7.797
219 HE2 TYR 32 HE2 TYR 32 -1.292 -2.220 8.185
220 HH TYR 32 HH TYR 32 -3.231 -1.165 8.836
221 H PHE 33 H PHE 33 2.997 0.236 9.569
222 HA PHE 33 HA PHE 33 3.956 -1.216 11.014
223 HB2 PHE 33 HB2 PHE 33 2.032 -2.350 10.091
224 HB3 PHE 33 HB3 PHE 33 3.015 -3.081 8.837
225 HD1 PHE 33 HD1 PHE 33 3.552 -2.738 12.587
226 HD2 PHE 33 HD2 PHE 33 2.989 -5.397 9.232
227 HE1 PHE 33 HE1 PHE 33 3.954 -4.688 14.059
228 HE2 PHE 33 HE2 PHE 33 3.392 -7.344 10.716
229 HZ PHE 33 HZ PHE 33 3.882 -6.994 13.130
230 H LEU 34 H LEU 34 5.071 -3.439 8.532
231 HA LEU 34 HA LEU 34 7.928 -2.848 9.207
232 HB2 LEU 34 HB2 LEU 34 6.599 -5.550 8.816
233 HB3 LEU 34 HB3 LEU 34 8.326 -5.294 9.066
234 HG LEU 34 HG LEU 34 6.199 -4.554 11.123
235 HD11 LEU 34 HD11 LEU 34 6.268 -6.955 10.674
236 HD12 LEU 34 HD12 LEU 34 8.025 -6.974 10.946
237 HD13 LEU 34 HD13 LEU 34 6.909 -6.578 12.282
238 HD21 LEU 34 HD21 LEU 34 8.291 -3.275 11.406
239 HD22 LEU 34 HD22 LEU 34 8.121 -4.487 12.680
240 HD23 LEU 34 HD23 LEU 34 9.237 -4.778 11.325
241 H GLY 35 H GLY 35 5.927 -2.326 6.904
242 HA2 GLY 35 HA2 GLY 35 7.819 -2.546 4.658
243 HA3 GLY 35 HA3 GLY 35 6.326 -3.483 4.507
244 H ILE 36 H ILE 36 4.859 -2.443 3.304
245 HA ILE 36 HA ILE 36 4.355 0.460 3.630
246 HB ILE 36 HB ILE 36 6.083 0.549 2.075
247 HG12 ILE 36 HG12 ILE 36 3.609 0.518 0.302
248 HG13 ILE 36 HG13 ILE 36 3.933 1.773 1.480
249 HG21 ILE 36 HG21 ILE 36 4.785 -1.593 0.363
250 HG22 ILE 36 HG22 ILE 36 6.320 -0.759 0.056
251 HG23 ILE 36 HG23 ILE 36 6.190 -1.860 1.415
252 HD11 ILE 36 HD11 ILE 36 5.587 1.085 -0.959
253 HD12 ILE 36 HD12 ILE 36 4.693 2.578 -0.642
254 HD13 ILE 36 HD13 ILE 36 6.133 2.219 0.317
255 H CYS 37 H CYS 37 2.434 1.207 3.012
256 HA CYS 37 HA CYS 37 0.240 -0.688 2.317
257 HB2 CYS 37 HB2 CYS 37 -0.061 0.647 4.303
258 HB3 CYS 37 HB3 CYS 37 0.440 2.105 3.471
259 H CYS 38 H CYS 38 -0.593 -0.607 0.288
260 HA CYS 38 HA CYS 38 -0.009 1.702 -1.534
261 HB2 CYS 38 HB2 CYS 38 -0.138 -1.242 -2.215
262 HB3 CYS 38 HB3 CYS 38 0.169 0.062 -3.351
263 H TYR 39 H TYR 39 -1.835 2.509 -2.525
264 HA TYR 39 HA TYR 39 -4.387 1.020 -2.192
265 HB2 TYR 39 HB2 TYR 39 -5.472 3.161 -1.493
266 HB3 TYR 39 HB3 TYR 39 -4.439 2.379 -0.331
267 HD1 TYR 39 HD1 TYR 39 -2.586 3.465 0.664
268 HD2 TYR 39 HD2 TYR 39 -4.675 5.284 -2.646
269 HE1 TYR 39 HE1 TYR 39 -1.521 5.657 1.193
270 HE2 TYR 39 HE2 TYR 39 -3.635 7.475 -2.096
271 HH TYR 39 HH TYR 39 -2.226 8.621 -0.692
272 HA PRO 40 HA PRO 40 -6.810 1.806 -2.596
273 HB2 PRO 40 HB2 PRO 40 -8.557 0.721 -4.370
274 HB3 PRO 40 HB3 PRO 40 -8.339 2.486 -4.180
275 HG2 PRO 40 HG2 PRO 40 -7.021 0.665 -6.233
276 HG3 PRO 40 HG3 PRO 40 -7.927 2.187 -6.532
277 HD2 PRO 40 HD2 PRO 40 -5.223 2.181 -6.350
278 HD3 PRO 40 HD3 PRO 40 -6.184 3.508 -5.636
279 H VAL 41 H VAL 41 -7.783 -0.232 -1.954
280 HA VAL 41 HA VAL 41 -6.030 -2.430 -1.772
281 HB VAL 41 HB VAL 41 -7.803 -1.752 -0.164
282 HG11 VAL 41 HG11 VAL 41 -9.679 -1.375 -1.752
283 HG12 VAL 41 HG12 VAL 41 -9.780 -3.130 -2.013
284 HG13 VAL 41 HG13 VAL 41 -10.100 -2.445 -0.408
285 HG21 VAL 41 HG21 VAL 41 -8.479 -3.991 0.538
286 HG22 VAL 41 HG22 VAL 41 -7.957 -4.662 -1.017
287 HG23 VAL 41 HG23 VAL 41 -6.775 -3.924 0.098
288 H ASP 42 H ASP 42 -6.027 -4.486 -2.661
289 HA ASP 42 HA ASP 42 -7.326 -4.810 -5.333
290 HB2 ASP 42 HB2 ASP 42 -5.042 -3.965 -5.547
291 HB3 ASP 42 HB3 ASP 42 -4.433 -5.274 -4.540
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -6.171 -11.448 0.759
2 H2 GLY 1 H2 GLY 1 -5.606 -11.262 -0.769
3 H3 GLY 1 H3 GLY 1 -6.539 -10.098 -0.089
4 HA2 GLY 1 HA2 GLY 1 -3.838 -10.865 0.812
5 HA3 GLY 1 HA3 GLY 1 -4.226 -9.407 -0.118
6 H THR 2 H THR 2 -2.912 -8.970 2.148
7 HA THR 2 HA THR 2 -4.754 -8.490 4.423
8 HB THR 2 HB THR 2 -1.772 -7.981 4.128
9 HG1 THR 2 HG1 THR 2 -2.369 -10.178 4.131
10 HG21 THR 2 HG21 THR 2 -3.581 -7.889 6.584
11 HG22 THR 2 HG22 THR 2 -1.804 -7.894 6.624
12 HG23 THR 2 HG23 THR 2 -2.659 -6.533 5.890
13 H THR 3 H THR 3 -5.687 -6.542 4.901
14 HA THR 3 HA THR 3 -5.449 -4.335 3.063
15 HB THR 3 HB THR 3 -6.945 -3.352 5.139
16 HG1 THR 3 HG1 THR 3 -8.216 -5.048 5.896
17 HG21 THR 3 HG21 THR 3 -8.898 -4.208 3.850
18 HG22 THR 3 HG22 THR 3 -7.646 -3.420 2.867
19 HG23 THR 3 HG23 THR 3 -7.779 -5.200 2.881
20 H CYS 4 H CYS 4 -5.146 -2.179 3.598
21 HA CYS 4 HA CYS 4 -3.688 -1.533 6.062
22 HB2 CYS 4 HB2 CYS 4 -1.934 -0.356 4.983
23 HB3 CYS 4 HB3 CYS 4 -2.003 -1.949 4.270
24 H TYR 5 H TYR 5 -3.716 0.833 6.575
25 HA TYR 5 HA TYR 5 -5.820 2.379 5.110
26 HB2 TYR 5 HB2 TYR 5 -5.661 1.986 8.120
27 HB3 TYR 5 HB3 TYR 5 -6.715 3.123 7.301
28 HD1 TYR 5 HD1 TYR 5 -6.063 -0.480 7.936
29 HD2 TYR 5 HD2 TYR 5 -8.781 2.423 6.258
30 HE1 TYR 5 HE1 TYR 5 -7.842 -2.225 7.787
31 HE2 TYR 5 HE2 TYR 5 -10.563 0.692 6.150
32 HH TYR 5 HH TYR 5 -11.128 -1.495 6.563
33 H CYS 6 H CYS 6 -5.249 4.421 4.665
34 HA CYS 6 HA CYS 6 -3.564 5.906 6.613
35 HB2 CYS 6 HB2 CYS 6 -2.642 5.023 3.948
36 HB3 CYS 6 HB3 CYS 6 -2.452 6.750 4.207
37 H GLY 7 H GLY 7 -4.341 7.909 6.978
38 HA2 GLY 7 HA2 GLY 7 -5.670 9.785 6.800
39 HA3 GLY 7 HA3 GLY 7 -5.280 9.760 5.076
40 H LYS 8 H LYS 8 -7.137 7.344 6.897
41 HA LYS 8 HA LYS 8 -9.064 6.245 6.480
42 HB2 LYS 8 HB2 LYS 8 -10.173 8.994 5.847
43 HB3 LYS 8 HB3 LYS 8 -11.128 7.537 6.135
44 HG2 LYS 8 HG2 LYS 8 -10.114 7.322 8.406
45 HG3 LYS 8 HG3 LYS 8 -9.265 8.860 8.151
46 HD2 LYS 8 HD2 LYS 8 -11.433 10.021 7.867
47 HD3 LYS 8 HD3 LYS 8 -12.293 8.482 8.092
48 HE2 LYS 8 HE2 LYS 8 -11.288 8.261 10.359
49 HE3 LYS 8 HE3 LYS 8 -10.453 9.803 10.140
50 HZ1 LYS 8 HZ1 LYS 8 -13.406 9.452 10.163
51 HZ2 LYS 8 HZ2 LYS 8 -12.523 10.083 11.380
52 HZ3 LYS 8 HZ3 LYS 8 -12.636 10.880 9.961
53 H THR 9 H THR 9 -7.188 6.701 4.174
54 HA THR 9 HA THR 9 -8.945 5.695 1.982
55 HB THR 9 HB THR 9 -6.063 6.658 1.773
56 HG1 THR 9 HG1 THR 9 -7.536 8.350 2.127
57 HG21 THR 9 HG21 THR 9 -6.616 4.975 0.072
58 HG22 THR 9 HG22 THR 9 -8.110 5.852 -0.340
59 HG23 THR 9 HG23 THR 9 -6.518 6.582 -0.656
60 H ILE 10 H ILE 10 -9.142 3.608 2.189
61 HA ILE 10 HA ILE 10 -7.203 1.866 3.463
62 HB ILE 10 HB ILE 10 -9.631 1.568 3.648
63 HG12 ILE 10 HG12 ILE 10 -8.275 -0.800 2.287
64 HG13 ILE 10 HG13 ILE 10 -8.220 -0.383 4.005
65 HG21 ILE 10 HG21 ILE 10 -9.600 0.806 0.710
66 HG22 ILE 10 HG22 ILE 10 -11.016 0.883 1.789
67 HG23 ILE 10 HG23 ILE 10 -10.173 2.363 1.341
68 HD11 ILE 10 HD11 ILE 10 -10.765 -0.632 4.032
69 HD12 ILE 10 HD12 ILE 10 -10.618 -1.343 2.406
70 HD13 ILE 10 HD13 ILE 10 -9.833 -2.116 3.790
71 H GLY 11 H GLY 11 -5.931 0.269 2.497
72 HA2 GLY 11 HA2 GLY 11 -5.760 0.076 -0.461
73 HA3 GLY 11 HA3 GLY 11 -4.322 0.533 0.445
74 H ILE 12 H ILE 12 -3.584 -1.353 -0.673
75 HA ILE 12 HA ILE 12 -3.997 -3.908 0.778
76 HB ILE 12 HB ILE 12 -3.626 -3.212 -2.001
77 HG12 ILE 12 HG12 ILE 12 -5.228 -4.790 -1.241
78 HG13 ILE 12 HG13 ILE 12 -4.139 -5.492 -2.436
79 HG21 ILE 12 HG21 ILE 12 -1.313 -4.863 -0.974
80 HG22 ILE 12 HG22 ILE 12 -1.889 -4.839 -2.634
81 HG23 ILE 12 HG23 ILE 12 -1.317 -3.324 -1.892
82 HD11 ILE 12 HD11 ILE 12 -4.299 -6.113 0.506
83 HD12 ILE 12 HD12 ILE 12 -4.527 -7.194 -0.865
84 HD13 ILE 12 HD13 ILE 12 -2.897 -6.603 -0.485
85 H TYR 13 H TYR 13 -2.315 -4.854 1.807
86 HA TYR 13 HA TYR 13 0.014 -3.100 2.453
87 HB2 TYR 13 HB2 TYR 13 -1.194 -3.946 4.368
88 HB3 TYR 13 HB3 TYR 13 -1.081 -5.590 3.770
89 HD1 TYR 13 HD1 TYR 13 1.283 -2.727 4.501
90 HD2 TYR 13 HD2 TYR 13 0.477 -6.958 4.803
91 HE1 TYR 13 HE1 TYR 13 3.460 -3.067 5.672
92 HE2 TYR 13 HE2 TYR 13 2.628 -7.283 5.999
93 HH TYR 13 HH TYR 13 4.461 -6.286 6.875
94 H TRP 14 H TRP 14 1.957 -3.407 1.667
95 HA TRP 14 HA TRP 14 2.744 -6.053 0.500
96 HB2 TRP 14 HB2 TRP 14 3.555 -3.228 -0.196
97 HB3 TRP 14 HB3 TRP 14 4.510 -4.610 -0.662
98 HD1 TRP 14 HD1 TRP 14 1.304 -2.828 -1.515
99 HE1 TRP 14 HE1 TRP 14 0.202 -3.900 -3.610
100 HE3 TRP 14 HE3 TRP 14 4.287 -6.962 -2.013
101 HZ2 TRP 14 HZ2 TRP 14 0.509 -6.254 -5.192
102 HZ3 TRP 14 HZ3 TRP 14 3.808 -8.647 -3.775
103 HH2 TRP 14 HH2 TRP 14 1.906 -8.326 -5.340
104 H PHE 15 H PHE 15 4.054 -7.204 1.679
105 HA PHE 15 HA PHE 15 5.598 -6.058 3.914
106 HB2 PHE 15 HB2 PHE 15 4.341 -8.056 4.359
107 HB3 PHE 15 HB3 PHE 15 5.011 -8.872 2.954
108 HD1 PHE 15 HD1 PHE 15 6.812 -10.351 3.239
109 HD2 PHE 15 HD2 PHE 15 6.161 -7.257 6.173
110 HE1 PHE 15 HE1 PHE 15 8.657 -11.267 4.624
111 HE2 PHE 15 HE2 PHE 15 8.001 -8.176 7.554
112 HZ PHE 15 HZ PHE 15 9.256 -10.183 6.783
113 H GLY 16 H GLY 16 7.821 -6.167 4.141
114 HA2 GLY 16 HA2 GLY 16 10.042 -6.421 3.628
115 HA3 GLY 16 HA3 GLY 16 9.566 -7.629 2.433
116 H THR 17 H THR 17 8.347 -4.360 2.069
117 HA THR 17 HA THR 17 10.457 -3.525 0.219
118 HB THR 17 HB THR 17 8.818 -4.819 -1.175
119 HG1 THR 17 HG1 THR 17 8.697 -3.152 -2.703
120 HG21 THR 17 HG21 THR 17 6.877 -2.575 -0.851
121 HG22 THR 17 HG22 THR 17 6.685 -4.117 -1.680
122 HG23 THR 17 HG23 THR 17 6.736 -4.078 0.093
123 H LYS 18 H LYS 18 10.097 -1.345 -0.494
124 HA LYS 18 HA LYS 18 8.593 0.464 1.363
125 HB2 LYS 18 HB2 LYS 18 11.503 0.752 0.476
126 HB3 LYS 18 HB3 LYS 18 10.595 2.018 1.299
127 HG2 LYS 18 HG2 LYS 18 11.071 -0.756 2.428
128 HG3 LYS 18 HG3 LYS 18 12.092 0.630 2.790
129 HD2 LYS 18 HD2 LYS 18 10.567 1.615 4.201
130 HD3 LYS 18 HD3 LYS 18 9.157 1.046 3.304
131 HE2 LYS 18 HE2 LYS 18 9.569 -1.264 4.091
132 HE3 LYS 18 HE3 LYS 18 10.930 -0.685 5.063
133 HZ1 LYS 18 HZ1 LYS 18 8.944 -0.865 6.389
134 HZ2 LYS 18 HZ2 LYS 18 9.325 0.732 6.284
135 HZ3 LYS 18 HZ3 LYS 18 8.077 0.098 5.408
136 H THR 19 H THR 19 8.852 -0.493 -1.608
137 HA THR 19 HA THR 19 7.674 2.022 -2.714
138 HB THR 19 HB THR 19 9.963 1.644 -3.662
139 HG1 THR 19 HG1 THR 19 9.244 2.122 -5.722
140 HG21 THR 19 HG21 THR 19 10.265 -0.035 -5.410
141 HG22 THR 19 HG22 THR 19 9.880 -0.851 -3.886
142 HG23 THR 19 HG23 THR 19 8.630 -0.677 -5.139
143 H CYS 20 H CYS 20 6.108 1.670 -4.435
144 HA CYS 20 HA CYS 20 4.573 -0.820 -3.942
145 HB2 CYS 20 HB2 CYS 20 3.743 1.852 -5.090
146 HB3 CYS 20 HB3 CYS 20 2.696 0.436 -5.021
147 HA PRO 21 HA PRO 21 5.796 -2.311 -8.001
148 HB2 PRO 21 HB2 PRO 21 3.831 -4.246 -8.348
149 HB3 PRO 21 HB3 PRO 21 5.274 -4.474 -7.333
150 HG2 PRO 21 HG2 PRO 21 2.526 -3.601 -6.469
151 HG3 PRO 21 HG3 PRO 21 3.554 -4.828 -5.707
152 HD2 PRO 21 HD2 PRO 21 3.328 -2.336 -4.747
153 HD3 PRO 21 HD3 PRO 21 4.924 -3.142 -4.739
154 H SER 22 H SER 22 5.502 -1.369 -9.828
155 HA SER 22 HA SER 22 3.475 0.475 -10.381
156 HB2 SER 22 HB2 SER 22 5.263 -0.924 -12.410
157 HB3 SER 22 HB3 SER 22 4.561 0.695 -12.524
158 HG SER 22 HG SER 22 5.884 1.362 -10.807
159 H ASN 23 H ASN 23 3.633 -2.929 -11.270
160 HA ASN 23 HA ASN 23 1.778 -2.763 -13.466
161 HB2 ASN 23 HB2 ASN 23 2.753 -5.204 -11.920
162 HB3 ASN 23 HB3 ASN 23 2.030 -5.197 -13.528
163 HD21 ASN 23 HD21 ASN 23 3.274 -3.766 -15.208
164 HD22 ASN 23 HD22 ASN 23 5.023 -3.872 -15.095
165 H ARG 24 H ARG 24 1.124 -2.755 -10.128
166 HA ARG 24 HA ARG 24 -1.427 -4.242 -10.257
167 HB2 ARG 24 HB2 ARG 24 -0.461 -2.460 -8.029
168 HB3 ARG 24 HB3 ARG 24 -1.604 -3.786 -7.926
169 HG2 ARG 24 HG2 ARG 24 1.402 -3.941 -8.301
170 HG3 ARG 24 HG3 ARG 24 0.473 -4.389 -6.861
171 HD2 ARG 24 HD2 ARG 24 -0.502 -6.280 -8.062
172 HD3 ARG 24 HD3 ARG 24 0.444 -5.809 -9.505
173 HE ARG 24 HE ARG 24 2.098 -6.202 -7.160
174 HH11 ARG 24 HH11 ARG 24 0.553 -8.004 -9.736
175 HH12 ARG 24 HH12 ARG 24 1.760 -9.259 -9.705
176 HH21 ARG 24 HH21 ARG 24 3.631 -7.821 -7.206
177 HH22 ARG 24 HH22 ARG 24 3.439 -9.158 -8.297
178 H GLY 25 H GLY 25 -0.478 -1.039 -10.910
179 HA2 GLY 25 HA2 GLY 25 -1.753 0.711 -11.760
180 HA3 GLY 25 HA3 GLY 25 -3.231 -0.186 -11.423
181 H TYR 26 H TYR 26 -0.807 0.553 -8.910
182 HA TYR 26 HA TYR 26 -2.765 1.818 -7.221
183 HB2 TYR 26 HB2 TYR 26 0.266 1.711 -7.026
184 HB3 TYR 26 HB3 TYR 26 -0.794 2.292 -5.743
185 HD1 TYR 26 HD1 TYR 26 1.219 -0.369 -6.335
186 HD2 TYR 26 HD2 TYR 26 -2.982 0.404 -5.587
187 HE1 TYR 26 HE1 TYR 26 0.928 -2.643 -5.436
188 HE2 TYR 26 HE2 TYR 26 -3.267 -1.933 -4.834
189 HH TYR 26 HH TYR 26 -2.277 -3.991 -4.673
190 H THR 27 H THR 27 -2.999 3.890 -6.499
191 HA THR 27 HA THR 27 -1.959 6.068 -8.275
192 HB THR 27 HB THR 27 -3.949 7.332 -7.627
193 HG1 THR 27 HG1 THR 27 -5.575 6.312 -6.478
194 HG21 THR 27 HG21 THR 27 -4.035 5.869 -9.648
195 HG22 THR 27 HG22 THR 27 -4.723 4.565 -8.653
196 HG23 THR 27 HG23 THR 27 -5.616 6.085 -8.879
197 H GLY 28 H GLY 28 -1.787 4.867 -5.049
198 HA2 GLY 28 HA2 GLY 28 0.108 6.910 -4.325
199 HA3 GLY 28 HA3 GLY 28 -1.408 7.147 -3.467
200 H SER 29 H SER 29 0.607 6.779 -1.869
201 HA SER 29 HA SER 29 0.365 4.098 -0.709
202 HB2 SER 29 HB2 SER 29 2.706 3.547 -0.877
203 HB3 SER 29 HB3 SER 29 2.056 3.833 -2.500
204 HG SER 29 HG SER 29 3.037 5.860 -2.520
205 H CYS 30 H CYS 30 1.638 3.815 1.279
206 HA CYS 30 HA CYS 30 2.983 6.104 2.418
207 HB2 CYS 30 HB2 CYS 30 1.675 6.413 4.388
208 HB3 CYS 30 HB3 CYS 30 0.544 6.488 3.034
209 H GLY 31 H GLY 31 4.547 5.535 3.949
210 HA2 GLY 31 HA2 GLY 31 5.362 2.791 4.059
211 HA3 GLY 31 HA3 GLY 31 5.998 4.088 5.069
212 H TYR 32 H TYR 32 4.974 1.176 5.573
213 HA TYR 32 HA TYR 32 2.890 1.759 7.643
214 HB2 TYR 32 HB2 TYR 32 2.482 0.459 5.322
215 HB3 TYR 32 HB3 TYR 32 3.080 -0.894 6.260
216 HD1 TYR 32 HD1 TYR 32 1.348 -2.184 7.297
217 HD2 TYR 32 HD2 TYR 32 0.711 2.023 6.551
218 HE1 TYR 32 HE1 TYR 32 -0.988 -2.389 8.118
219 HE2 TYR 32 HE2 TYR 32 -1.616 1.813 7.392
220 HH TYR 32 HH TYR 32 -2.957 -1.288 8.571
221 H PHE 33 H PHE 33 2.717 -0.364 9.142
222 HA PHE 33 HA PHE 33 5.195 -0.652 10.607
223 HB2 PHE 33 HB2 PHE 33 2.964 -1.017 11.611
224 HB3 PHE 33 HB3 PHE 33 2.751 -2.436 10.573
225 HD1 PHE 33 HD1 PHE 33 5.338 -1.060 12.975
226 HD2 PHE 33 HD2 PHE 33 3.144 -4.510 11.594
227 HE1 PHE 33 HE1 PHE 33 6.486 -2.469 14.664
228 HE2 PHE 33 HE2 PHE 33 4.280 -5.911 13.301
229 HZ PHE 33 HZ PHE 33 5.960 -4.895 14.830
230 H LEU 34 H LEU 34 6.875 -1.774 10.141
231 HA LEU 34 HA LEU 34 8.410 -3.008 9.166
232 HB2 LEU 34 HB2 LEU 34 6.280 -5.084 8.627
233 HB3 LEU 34 HB3 LEU 34 8.020 -5.342 8.636
234 HG LEU 34 HG LEU 34 6.363 -4.498 11.059
235 HD11 LEU 34 HD11 LEU 34 7.568 -7.190 10.347
236 HD12 LEU 34 HD12 LEU 34 6.719 -6.770 11.856
237 HD13 LEU 34 HD13 LEU 34 5.838 -6.759 10.322
238 HD21 LEU 34 HD21 LEU 34 8.672 -3.722 11.292
239 HD22 LEU 34 HD22 LEU 34 8.376 -5.088 12.366
240 HD23 LEU 34 HD23 LEU 34 9.284 -5.338 10.855
241 H GLY 35 H GLY 35 5.596 -3.358 6.967
242 HA2 GLY 35 HA2 GLY 35 7.369 -3.021 4.585
243 HA3 GLY 35 HA3 GLY 35 5.742 -3.676 4.627
244 H ILE 36 H ILE 36 4.673 -2.466 3.233
245 HA ILE 36 HA ILE 36 4.282 0.443 3.677
246 HB ILE 36 HB ILE 36 6.013 0.553 2.134
247 HG12 ILE 36 HG12 ILE 36 3.577 0.613 0.306
248 HG13 ILE 36 HG13 ILE 36 3.895 1.833 1.514
249 HG21 ILE 36 HG21 ILE 36 4.690 -1.446 0.270
250 HG22 ILE 36 HG22 ILE 36 6.289 -0.699 0.117
251 HG23 ILE 36 HG23 ILE 36 5.993 -1.882 1.383
252 HD11 ILE 36 HD11 ILE 36 4.705 2.677 -0.560
253 HD12 ILE 36 HD12 ILE 36 6.126 2.268 0.409
254 HD13 ILE 36 HD13 ILE 36 5.587 1.177 -0.905
255 H CYS 37 H CYS 37 2.382 1.265 2.913
256 HA CYS 37 HA CYS 37 0.204 -0.637 2.179
257 HB2 CYS 37 HB2 CYS 37 -0.070 0.713 4.203
258 HB3 CYS 37 HB3 CYS 37 0.364 2.167 3.326
259 H CYS 38 H CYS 38 -0.596 -0.527 0.135
260 HA CYS 38 HA CYS 38 0.028 1.796 -1.649
261 HB2 CYS 38 HB2 CYS 38 -0.045 -1.136 -2.392
262 HB3 CYS 38 HB3 CYS 38 0.291 0.205 -3.474
263 H TYR 39 H TYR 39 -1.746 2.570 -2.752
264 HA TYR 39 HA TYR 39 -4.308 1.095 -2.513
265 HB2 TYR 39 HB2 TYR 39 -5.452 3.178 -1.782
266 HB3 TYR 39 HB3 TYR 39 -4.387 2.438 -0.625
267 HD1 TYR 39 HD1 TYR 39 -2.719 3.667 0.473
268 HD2 TYR 39 HD2 TYR 39 -4.657 5.288 -3.029
269 HE1 TYR 39 HE1 TYR 39 -1.737 5.899 0.966
270 HE2 TYR 39 HE2 TYR 39 -3.691 7.526 -2.518
271 HH TYR 39 HH TYR 39 -1.550 8.090 0.299
272 HA PRO 40 HA PRO 40 -6.749 2.004 -3.008
273 HB2 PRO 40 HB2 PRO 40 -8.420 0.878 -4.831
274 HB3 PRO 40 HB3 PRO 40 -8.190 2.645 -4.673
275 HG2 PRO 40 HG2 PRO 40 -6.802 0.759 -6.618
276 HG3 PRO 40 HG3 PRO 40 -7.669 2.286 -6.993
277 HD2 PRO 40 HD2 PRO 40 -4.981 2.253 -6.689
278 HD3 PRO 40 HD3 PRO 40 -5.952 3.603 -6.035
279 H VAL 41 H VAL 41 -7.748 0.053 -2.274
280 HA VAL 41 HA VAL 41 -6.060 -2.229 -2.034
281 HB VAL 41 HB VAL 41 -7.675 -1.446 -0.344
282 HG11 VAL 41 HG11 VAL 41 -10.031 -1.922 -0.433
283 HG12 VAL 41 HG12 VAL 41 -9.608 -0.893 -1.807
284 HG13 VAL 41 HG13 VAL 41 -9.887 -2.631 -2.052
285 HG21 VAL 41 HG21 VAL 41 -8.509 -3.620 0.397
286 HG22 VAL 41 HG22 VAL 41 -8.147 -4.324 -1.190
287 HG23 VAL 41 HG23 VAL 41 -6.837 -3.711 -0.147
288 H ASP 42 H ASP 42 -6.014 -4.200 -3.039
289 HA ASP 42 HA ASP 42 -7.332 -4.466 -5.645
290 HB2 ASP 42 HB2 ASP 42 -4.960 -5.027 -5.358
291 HB3 ASP 42 HB3 ASP 42 -5.389 -6.294 -4.209
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -4.585 -12.691 1.993
2 H2 GLY 1 H2 GLY 1 -3.013 -12.653 2.449
3 H3 GLY 1 H3 GLY 1 -3.402 -12.836 0.867
4 HA2 GLY 1 HA2 GLY 1 -2.650 -10.587 1.274
5 HA3 GLY 1 HA3 GLY 1 -4.347 -10.632 0.762
6 H THR 2 H THR 2 -3.019 -8.545 2.289
7 HA THR 2 HA THR 2 -4.702 -8.501 4.757
8 HB THR 2 HB THR 2 -1.752 -7.753 4.678
9 HG1 THR 2 HG1 THR 2 -3.037 -9.988 5.864
10 HG21 THR 2 HG21 THR 2 -3.733 -7.924 6.993
11 HG22 THR 2 HG22 THR 2 -1.973 -7.721 7.164
12 HG23 THR 2 HG23 THR 2 -2.927 -6.463 6.378
13 H THR 3 H THR 3 -5.638 -6.522 5.146
14 HA THR 3 HA THR 3 -5.400 -4.423 3.174
15 HB THR 3 HB THR 3 -6.956 -3.357 5.171
16 HG1 THR 3 HG1 THR 3 -8.229 -5.032 5.970
17 HG21 THR 3 HG21 THR 3 -8.871 -4.286 3.875
18 HG22 THR 3 HG22 THR 3 -7.602 -3.532 2.887
19 HG23 THR 3 HG23 THR 3 -7.721 -5.309 2.977
20 H CYS 4 H CYS 4 -5.141 -2.227 3.631
21 HA CYS 4 HA CYS 4 -3.731 -1.488 6.098
22 HB2 CYS 4 HB2 CYS 4 -1.953 -0.363 5.029
23 HB3 CYS 4 HB3 CYS 4 -2.027 -1.950 4.303
24 H TYR 5 H TYR 5 -3.778 0.901 6.532
25 HA TYR 5 HA TYR 5 -5.890 2.372 5.003
26 HB2 TYR 5 HB2 TYR 5 -5.748 2.071 8.024
27 HB3 TYR 5 HB3 TYR 5 -6.791 3.193 7.171
28 HD1 TYR 5 HD1 TYR 5 -6.171 -0.398 7.898
29 HD2 TYR 5 HD2 TYR 5 -8.854 2.485 6.132
30 HE1 TYR 5 HE1 TYR 5 -7.968 -2.127 7.795
31 HE2 TYR 5 HE2 TYR 5 -10.655 0.770 6.069
32 HH TYR 5 HH TYR 5 -11.245 -1.396 6.546
33 H CYS 6 H CYS 6 -5.343 4.399 4.493
34 HA CYS 6 HA CYS 6 -3.696 6.000 6.368
35 HB2 CYS 6 HB2 CYS 6 -2.686 4.924 3.804
36 HB3 CYS 6 HB3 CYS 6 -2.498 6.662 3.944
37 H GLY 7 H GLY 7 -4.361 8.094 6.478
38 HA2 GLY 7 HA2 GLY 7 -5.544 10.022 6.022
39 HA3 GLY 7 HA3 GLY 7 -5.060 9.756 4.344
40 H LYS 8 H LYS 8 -7.286 7.861 6.389
41 HA LYS 8 HA LYS 8 -9.329 6.947 6.028
42 HB2 LYS 8 HB2 LYS 8 -10.001 9.622 4.767
43 HB3 LYS 8 HB3 LYS 8 -11.161 8.397 5.286
44 HG2 LYS 8 HG2 LYS 8 -10.405 8.610 7.625
45 HG3 LYS 8 HG3 LYS 8 -9.192 9.801 7.144
46 HD2 LYS 8 HD2 LYS 8 -11.071 10.954 8.098
47 HD3 LYS 8 HD3 LYS 8 -10.973 11.336 6.374
48 HE2 LYS 8 HE2 LYS 8 -12.777 9.692 5.906
49 HE3 LYS 8 HE3 LYS 8 -12.841 9.264 7.620
50 HZ1 LYS 8 HZ1 LYS 8 -13.453 11.955 6.512
51 HZ2 LYS 8 HZ2 LYS 8 -14.562 10.880 7.037
52 HZ3 LYS 8 HZ3 LYS 8 -13.522 11.556 8.096
53 H THR 9 H THR 9 -7.281 6.635 3.897
54 HA THR 9 HA THR 9 -9.018 5.555 1.723
55 HB THR 9 HB THR 9 -6.108 6.422 1.453
56 HG1 THR 9 HG1 THR 9 -7.466 8.210 1.707
57 HG21 THR 9 HG21 THR 9 -6.622 6.236 -0.970
58 HG22 THR 9 HG22 THR 9 -6.765 4.677 -0.146
59 HG23 THR 9 HG23 THR 9 -8.231 5.588 -0.581
60 H ILE 10 H ILE 10 -9.213 3.469 2.004
61 HA ILE 10 HA ILE 10 -7.283 1.782 3.384
62 HB ILE 10 HB ILE 10 -9.711 1.469 3.546
63 HG12 ILE 10 HG12 ILE 10 -8.306 -0.929 2.290
64 HG13 ILE 10 HG13 ILE 10 -8.277 -0.448 3.992
65 HG21 ILE 10 HG21 ILE 10 -10.218 2.175 1.200
66 HG22 ILE 10 HG22 ILE 10 -9.624 0.597 0.639
67 HG23 ILE 10 HG23 ILE 10 -11.058 0.706 1.691
68 HD11 ILE 10 HD11 ILE 10 -10.647 -1.494 2.404
69 HD12 ILE 10 HD12 ILE 10 -9.862 -2.213 3.817
70 HD13 ILE 10 HD13 ILE 10 -10.816 -0.734 4.004
71 H GLY 11 H GLY 11 -5.980 0.179 2.490
72 HA2 GLY 11 HA2 GLY 11 -5.728 -0.078 -0.458
73 HA3 GLY 11 HA3 GLY 11 -4.325 0.414 0.481
74 H ILE 12 H ILE 12 -3.553 -1.477 -0.615
75 HA ILE 12 HA ILE 12 -3.953 -4.022 0.852
76 HB ILE 12 HB ILE 12 -3.584 -3.361 -1.918
77 HG12 ILE 12 HG12 ILE 12 -5.087 -5.028 -1.168
78 HG13 ILE 12 HG13 ILE 12 -3.944 -5.679 -2.338
79 HG21 ILE 12 HG21 ILE 12 -1.749 -4.849 -2.569
80 HG22 ILE 12 HG22 ILE 12 -1.265 -3.323 -1.795
81 HG23 ILE 12 HG23 ILE 12 -1.180 -4.878 -0.907
82 HD11 ILE 12 HD11 ILE 12 -4.276 -7.366 -0.697
83 HD12 ILE 12 HD12 ILE 12 -2.649 -6.714 -0.417
84 HD13 ILE 12 HD13 ILE 12 -4.012 -6.236 0.629
85 H TYR 13 H TYR 13 -2.267 -4.927 1.940
86 HA TYR 13 HA TYR 13 0.043 -3.141 2.569
87 HB2 TYR 13 HB2 TYR 13 -1.169 -3.958 4.490
88 HB3 TYR 13 HB3 TYR 13 -1.049 -5.612 3.920
89 HD1 TYR 13 HD1 TYR 13 1.321 -2.745 4.623
90 HD2 TYR 13 HD2 TYR 13 0.475 -6.961 5.011
91 HE1 TYR 13 HE1 TYR 13 3.466 -3.075 5.858
92 HE2 TYR 13 HE2 TYR 13 2.595 -7.272 6.265
93 HH TYR 13 HH TYR 13 4.452 -6.283 7.110
94 H TRP 14 H TRP 14 1.994 -3.455 1.803
95 HA TRP 14 HA TRP 14 2.773 -6.089 0.593
96 HB2 TRP 14 HB2 TRP 14 3.558 -3.250 -0.093
97 HB3 TRP 14 HB3 TRP 14 4.520 -4.633 -0.571
98 HD1 TRP 14 HD1 TRP 14 1.279 -2.879 -1.381
99 HE1 TRP 14 HE1 TRP 14 0.272 -3.849 -3.558
100 HE3 TRP 14 HE3 TRP 14 4.483 -6.813 -2.090
101 HZ2 TRP 14 HZ2 TRP 14 0.811 -6.002 -5.363
102 HZ3 TRP 14 HZ3 TRP 14 4.215 -8.308 -4.060
103 HH2 TRP 14 HH2 TRP 14 2.386 -7.920 -5.696
104 H PHE 15 H PHE 15 4.102 -7.224 1.793
105 HA PHE 15 HA PHE 15 5.883 -5.916 3.787
106 HB2 PHE 15 HB2 PHE 15 4.407 -7.644 4.650
107 HB3 PHE 15 HB3 PHE 15 4.969 -8.784 3.440
108 HD1 PHE 15 HD1 PHE 15 6.410 -10.432 4.251
109 HD2 PHE 15 HD2 PHE 15 6.571 -6.495 6.016
110 HE1 PHE 15 HE1 PHE 15 8.187 -11.194 5.807
111 HE2 PHE 15 HE2 PHE 15 8.341 -7.266 7.570
112 HZ PHE 15 HZ PHE 15 9.153 -9.615 7.468
113 H GLY 16 H GLY 16 8.081 -6.230 3.805
114 HA2 GLY 16 HA2 GLY 16 10.191 -6.904 3.126
115 HA3 GLY 16 HA3 GLY 16 9.457 -8.088 2.044
116 H THR 17 H THR 17 8.525 -4.741 1.704
117 HA THR 17 HA THR 17 10.521 -4.107 -0.344
118 HB THR 17 HB THR 17 8.567 -5.145 -1.562
119 HG1 THR 17 HG1 THR 17 8.511 -3.423 -3.044
120 HG21 THR 17 HG21 THR 17 7.062 -2.625 -0.845
121 HG22 THR 17 HG22 THR 17 6.518 -3.988 -1.833
122 HG23 THR 17 HG23 THR 17 6.752 -4.203 -0.086
123 H LYS 18 H LYS 18 10.319 -1.845 -0.956
124 HA LYS 18 HA LYS 18 9.479 -0.072 1.318
125 HB2 LYS 18 HB2 LYS 18 11.978 -0.519 0.953
126 HB3 LYS 18 HB3 LYS 18 11.836 0.343 -0.566
127 HG2 LYS 18 HG2 LYS 18 12.754 1.761 1.196
128 HG3 LYS 18 HG3 LYS 18 11.235 2.404 0.595
129 HD2 LYS 18 HD2 LYS 18 11.455 2.622 3.045
130 HD3 LYS 18 HD3 LYS 18 10.054 1.647 2.607
131 HE2 LYS 18 HE2 LYS 18 11.359 -0.430 3.072
132 HE3 LYS 18 HE3 LYS 18 12.772 0.553 3.481
133 HZ1 LYS 18 HZ1 LYS 18 11.555 -0.114 5.469
134 HZ2 LYS 18 HZ2 LYS 18 11.485 1.508 5.321
135 HZ3 LYS 18 HZ3 LYS 18 10.182 0.592 4.944
136 H THR 19 H THR 19 9.024 -0.684 -1.980
137 HA THR 19 HA THR 19 7.533 1.873 -2.343
138 HB THR 19 HB THR 19 9.741 1.880 -3.564
139 HG1 THR 19 HG1 THR 19 8.772 2.786 -5.361
140 HG21 THR 19 HG21 THR 19 9.711 -0.498 -4.366
141 HG22 THR 19 HG22 THR 19 8.336 -0.100 -5.421
142 HG23 THR 19 HG23 THR 19 9.914 0.678 -5.675
143 H CYS 20 H CYS 20 5.925 1.736 -4.148
144 HA CYS 20 HA CYS 20 4.442 -0.815 -3.928
145 HB2 CYS 20 HB2 CYS 20 3.597 1.927 -4.900
146 HB3 CYS 20 HB3 CYS 20 2.551 0.506 -4.879
147 HA PRO 21 HA PRO 21 5.678 -1.820 -8.116
148 HB2 PRO 21 HB2 PRO 21 4.087 -3.990 -8.594
149 HB3 PRO 21 HB3 PRO 21 5.456 -4.033 -7.437
150 HG2 PRO 21 HG2 PRO 21 2.518 -3.606 -6.836
151 HG3 PRO 21 HG3 PRO 21 3.654 -4.707 -6.007
152 HD2 PRO 21 HD2 PRO 21 3.079 -2.273 -4.981
153 HD3 PRO 21 HD3 PRO 21 4.718 -2.979 -4.863
154 H SER 22 H SER 22 5.246 -0.603 -9.735
155 HA SER 22 HA SER 22 2.968 0.870 -10.267
156 HB2 SER 22 HB2 SER 22 4.959 -0.164 -12.328
157 HB3 SER 22 HB3 SER 22 3.985 1.311 -12.411
158 HG SER 22 HG SER 22 6.131 1.754 -11.736
159 H ASN 23 H ASN 23 3.648 -2.425 -11.315
160 HA ASN 23 HA ASN 23 1.701 -2.523 -13.431
161 HB2 ASN 23 HB2 ASN 23 3.050 -4.823 -11.955
162 HB3 ASN 23 HB3 ASN 23 2.306 -4.875 -13.553
163 HD21 ASN 23 HD21 ASN 23 3.322 -3.186 -15.185
164 HD22 ASN 23 HD22 ASN 23 5.074 -3.092 -15.106
165 H ARG 24 H ARG 24 1.104 -2.480 -10.118
166 HA ARG 24 HA ARG 24 -1.521 -3.927 -10.389
167 HB2 ARG 24 HB2 ARG 24 0.249 -3.156 -8.090
168 HB3 ARG 24 HB3 ARG 24 -1.485 -3.087 -7.833
169 HG2 ARG 24 HG2 ARG 24 -0.727 -5.181 -7.065
170 HG3 ARG 24 HG3 ARG 24 -1.735 -5.453 -8.474
171 HD2 ARG 24 HD2 ARG 24 1.313 -5.435 -8.557
172 HD3 ARG 24 HD3 ARG 24 0.351 -6.877 -8.219
173 HE ARG 24 HE ARG 24 -0.170 -5.352 -10.726
174 HH11 ARG 24 HH11 ARG 24 0.995 -8.378 -9.391
175 HH12 ARG 24 HH12 ARG 24 0.992 -9.143 -10.957
176 HH21 ARG 24 HH21 ARG 24 -0.106 -6.323 -12.617
177 HH22 ARG 24 HH22 ARG 24 0.360 -8.004 -12.755
178 H GLY 25 H GLY 25 -0.325 -0.816 -10.886
179 HA2 GLY 25 HA2 GLY 25 -1.502 1.004 -11.648
180 HA3 GLY 25 HA3 GLY 25 -3.005 0.097 -11.458
181 H TYR 26 H TYR 26 -0.751 0.759 -8.793
182 HA TYR 26 HA TYR 26 -2.806 1.831 -7.121
183 HB2 TYR 26 HB2 TYR 26 0.219 1.822 -6.871
184 HB3 TYR 26 HB3 TYR 26 -0.871 2.324 -5.577
185 HD1 TYR 26 HD1 TYR 26 1.142 -0.328 -6.493
186 HD2 TYR 26 HD2 TYR 26 -2.954 0.447 -5.326
187 HE1 TYR 26 HE1 TYR 26 0.898 -2.662 -5.694
188 HE2 TYR 26 HE2 TYR 26 -3.189 -1.914 -4.607
189 HH TYR 26 HH TYR 26 -2.203 -3.973 -4.554
190 H THR 27 H THR 27 -3.197 3.867 -6.333
191 HA THR 27 HA THR 27 -2.306 6.134 -8.068
192 HB THR 27 HB THR 27 -4.754 5.470 -7.848
193 HG1 THR 27 HG1 THR 27 -5.349 7.616 -7.959
194 HG21 THR 27 HG21 THR 27 -4.613 7.071 -5.257
195 HG22 THR 27 HG22 THR 27 -6.040 6.334 -6.014
196 HG23 THR 27 HG23 THR 27 -4.781 5.307 -5.314
197 H GLY 28 H GLY 28 -1.906 4.889 -4.876
198 HA2 GLY 28 HA2 GLY 28 0.030 6.897 -4.220
199 HA3 GLY 28 HA3 GLY 28 -1.447 7.166 -3.301
200 H SER 29 H SER 29 0.608 6.756 -1.792
201 HA SER 29 HA SER 29 0.389 4.059 -0.629
202 HB2 SER 29 HB2 SER 29 2.755 3.583 -0.860
203 HB3 SER 29 HB3 SER 29 2.022 3.838 -2.459
204 HG SER 29 HG SER 29 4.021 4.941 -2.279
205 H CYS 30 H CYS 30 1.678 3.782 1.331
206 HA CYS 30 HA CYS 30 3.024 6.074 2.467
207 HB2 CYS 30 HB2 CYS 30 1.707 6.371 4.451
208 HB3 CYS 30 HB3 CYS 30 0.608 6.503 3.077
209 H GLY 31 H GLY 31 4.569 5.513 4.018
210 HA2 GLY 31 HA2 GLY 31 5.352 2.758 4.178
211 HA3 GLY 31 HA3 GLY 31 6.000 4.063 5.167
212 H TYR 32 H TYR 32 4.894 1.182 5.695
213 HA TYR 32 HA TYR 32 2.777 1.835 7.708
214 HB2 TYR 32 HB2 TYR 32 2.448 0.432 5.428
215 HB3 TYR 32 HB3 TYR 32 3.015 -0.873 6.446
216 HD1 TYR 32 HD1 TYR 32 1.232 -2.132 7.412
217 HD2 TYR 32 HD2 TYR 32 0.660 2.070 6.606
218 HE1 TYR 32 HE1 TYR 32 -1.124 -2.301 8.191
219 HE2 TYR 32 HE2 TYR 32 -1.692 1.895 7.398
220 HH TYR 32 HH TYR 32 -3.084 -1.171 8.602
221 H PHE 33 H PHE 33 2.620 -0.449 9.156
222 HA PHE 33 HA PHE 33 5.050 -0.533 10.759
223 HB2 PHE 33 HB2 PHE 33 2.820 -1.048 11.680
224 HB3 PHE 33 HB3 PHE 33 2.731 -2.468 10.628
225 HD1 PHE 33 HD1 PHE 33 5.042 -0.940 13.201
226 HD2 PHE 33 HD2 PHE 33 3.318 -4.541 11.562
227 HE1 PHE 33 HE1 PHE 33 6.210 -2.289 14.929
228 HE2 PHE 33 HE2 PHE 33 4.474 -5.883 13.305
229 HZ PHE 33 HZ PHE 33 5.926 -4.760 14.984
230 H LEU 34 H LEU 34 6.836 -1.449 10.225
231 HA LEU 34 HA LEU 34 8.462 -2.568 9.286
232 HB2 LEU 34 HB2 LEU 34 6.559 -4.878 8.860
233 HB3 LEU 34 HB3 LEU 34 8.316 -4.949 8.877
234 HG LEU 34 HG LEU 34 6.556 -4.210 11.258
235 HD11 LEU 34 HD11 LEU 34 6.353 -6.557 10.610
236 HD12 LEU 34 HD12 LEU 34 8.125 -6.742 10.667
237 HD13 LEU 34 HD13 LEU 34 7.206 -6.382 12.151
238 HD21 LEU 34 HD21 LEU 34 8.740 -3.125 11.469
239 HD22 LEU 34 HD22 LEU 34 8.618 -4.474 12.597
240 HD23 LEU 34 HD23 LEU 34 9.564 -4.661 11.101
241 H GLY 35 H GLY 35 5.706 -3.422 7.162
242 HA2 GLY 35 HA2 GLY 35 7.332 -3.010 4.708
243 HA3 GLY 35 HA3 GLY 35 5.723 -3.705 4.833
244 H ILE 36 H ILE 36 4.835 -2.500 3.251
245 HA ILE 36 HA ILE 36 4.317 0.401 3.758
246 HB ILE 36 HB ILE 36 6.050 0.568 2.251
247 HG12 ILE 36 HG12 ILE 36 3.642 0.519 0.381
248 HG13 ILE 36 HG13 ILE 36 3.919 1.775 1.568
249 HG21 ILE 36 HG21 ILE 36 6.273 -1.804 1.554
250 HG22 ILE 36 HG22 ILE 36 4.863 -1.600 0.491
251 HG23 ILE 36 HG23 ILE 36 6.363 -0.700 0.195
252 HD11 ILE 36 HD11 ILE 36 6.150 2.234 0.453
253 HD12 ILE 36 HD12 ILE 36 5.605 1.132 -0.850
254 HD13 ILE 36 HD13 ILE 36 4.706 2.615 -0.494
255 H CYS 37 H CYS 37 2.424 1.231 2.994
256 HA CYS 37 HA CYS 37 0.231 -0.662 2.286
257 HB2 CYS 37 HB2 CYS 37 -0.052 0.675 4.290
258 HB3 CYS 37 HB3 CYS 37 0.414 2.130 3.433
259 H CYS 38 H CYS 38 -0.617 -0.555 0.257
260 HA CYS 38 HA CYS 38 0.008 1.749 -1.558
261 HB2 CYS 38 HB2 CYS 38 -0.106 -1.193 -2.257
262 HB3 CYS 38 HB3 CYS 38 0.230 0.120 -3.372
263 H TYR 39 H TYR 39 -1.796 2.560 -2.595
264 HA TYR 39 HA TYR 39 -4.348 1.053 -2.329
265 HB2 TYR 39 HB2 TYR 39 -5.474 3.155 -1.598
266 HB3 TYR 39 HB3 TYR 39 -4.421 2.386 -0.446
267 HD1 TYR 39 HD1 TYR 39 -2.628 3.525 0.585
268 HD2 TYR 39 HD2 TYR 39 -4.716 5.291 -2.754
269 HE1 TYR 39 HE1 TYR 39 -1.599 5.730 1.111
270 HE2 TYR 39 HE2 TYR 39 -3.692 7.501 -2.217
271 HH TYR 39 HH TYR 39 -1.413 7.940 0.511
272 HA PRO 40 HA PRO 40 -6.769 1.822 -2.730
273 HB2 PRO 40 HB2 PRO 40 -8.509 0.744 -4.509
274 HB3 PRO 40 HB3 PRO 40 -8.290 2.511 -4.320
275 HG2 PRO 40 HG2 PRO 40 -6.968 0.683 -6.367
276 HG3 PRO 40 HG3 PRO 40 -7.874 2.204 -6.672
277 HD2 PRO 40 HD2 PRO 40 -5.168 2.195 -6.479
278 HD3 PRO 40 HD3 PRO 40 -6.134 3.528 -5.787
279 H VAL 41 H VAL 41 -7.732 -0.214 -2.102
280 HA VAL 41 HA VAL 41 -5.971 -2.429 -1.964
281 HB VAL 41 HB VAL 41 -7.686 -1.764 -0.296
282 HG11 VAL 41 HG11 VAL 41 -9.743 -3.093 -2.091
283 HG12 VAL 41 HG12 VAL 41 -9.995 -2.416 -0.471
284 HG13 VAL 41 HG13 VAL 41 -9.609 -1.342 -1.822
285 HG21 VAL 41 HG21 VAL 41 -6.684 -3.945 -0.088
286 HG22 VAL 41 HG22 VAL 41 -8.382 -4.018 0.372
287 HG23 VAL 41 HG23 VAL 41 -7.881 -4.653 -1.205
288 H ASP 42 H ASP 42 -5.875 -4.390 -3.002
289 HA ASP 42 HA ASP 42 -6.917 -4.523 -5.721
290 HB2 ASP 42 HB2 ASP 42 -4.613 -5.170 -5.174
291 HB3 ASP 42 HB3 ASP 42 -5.208 -6.471 -4.146
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -3.893 -12.543 0.476
2 H2 GLY 1 H2 GLY 1 -5.075 -12.409 1.605
3 H3 GLY 1 H3 GLY 1 -3.508 -12.510 2.069
4 HA2 GLY 1 HA2 GLY 1 -2.998 -10.387 1.063
5 HA3 GLY 1 HA3 GLY 1 -4.689 -10.280 0.538
6 H THR 2 H THR 2 -3.124 -8.493 2.303
7 HA THR 2 HA THR 2 -4.844 -8.527 4.756
8 HB THR 2 HB THR 2 -1.863 -7.921 4.671
9 HG1 THR 2 HG1 THR 2 -1.684 -9.828 5.848
10 HG21 THR 2 HG21 THR 2 -2.972 -6.639 6.448
11 HG22 THR 2 HG22 THR 2 -3.825 -8.098 7.005
12 HG23 THR 2 HG23 THR 2 -2.058 -7.970 7.160
13 H THR 3 H THR 3 -5.697 -6.539 5.313
14 HA THR 3 HA THR 3 -5.474 -4.397 3.396
15 HB THR 3 HB THR 3 -6.999 -3.362 5.431
16 HG1 THR 3 HG1 THR 3 -8.277 -5.050 6.197
17 HG21 THR 3 HG21 THR 3 -8.927 -4.257 4.118
18 HG22 THR 3 HG22 THR 3 -7.661 -3.479 3.148
19 HG23 THR 3 HG23 THR 3 -7.779 -5.256 3.192
20 H CYS 4 H CYS 4 -5.169 -2.243 3.821
21 HA CYS 4 HA CYS 4 -3.728 -1.443 6.256
22 HB2 CYS 4 HB2 CYS 4 -1.914 -0.463 5.144
23 HB3 CYS 4 HB3 CYS 4 -2.097 -2.031 4.383
24 H TYR 5 H TYR 5 -3.594 1.039 6.438
25 HA TYR 5 HA TYR 5 -5.809 2.426 5.009
26 HB2 TYR 5 HB2 TYR 5 -5.512 2.322 8.034
27 HB3 TYR 5 HB3 TYR 5 -6.595 3.383 7.155
28 HD1 TYR 5 HD1 TYR 5 -5.960 -0.132 8.160
29 HD2 TYR 5 HD2 TYR 5 -8.688 2.593 6.218
30 HE1 TYR 5 HE1 TYR 5 -7.747 -1.862 8.248
31 HE2 TYR 5 HE2 TYR 5 -10.488 0.871 6.347
32 HH TYR 5 HH TYR 5 -9.935 -2.365 7.785
33 H CYS 6 H CYS 6 -5.306 4.436 4.392
34 HA CYS 6 HA CYS 6 -3.596 6.134 6.110
35 HB2 CYS 6 HB2 CYS 6 -2.708 5.044 3.484
36 HB3 CYS 6 HB3 CYS 6 -2.468 6.770 3.691
37 H GLY 7 H GLY 7 -4.313 8.213 6.160
38 HA2 GLY 7 HA2 GLY 7 -5.466 10.137 5.619
39 HA3 GLY 7 HA3 GLY 7 -4.940 9.791 3.969
40 H LYS 8 H LYS 8 -7.338 8.200 6.097
41 HA LYS 8 HA LYS 8 -9.439 7.426 5.775
42 HB2 LYS 8 HB2 LYS 8 -9.683 10.046 5.588
43 HB3 LYS 8 HB3 LYS 8 -10.103 9.688 3.911
44 HG2 LYS 8 HG2 LYS 8 -11.847 8.015 4.941
45 HG3 LYS 8 HG3 LYS 8 -11.519 8.828 6.468
46 HD2 LYS 8 HD2 LYS 8 -12.558 10.119 3.905
47 HD3 LYS 8 HD3 LYS 8 -13.519 9.724 5.337
48 HE2 LYS 8 HE2 LYS 8 -12.174 11.317 6.688
49 HE3 LYS 8 HE3 LYS 8 -11.209 11.719 5.261
50 HZ1 LYS 8 HZ1 LYS 8 -13.241 12.548 4.199
51 HZ2 LYS 8 HZ2 LYS 8 -14.133 12.182 5.518
52 HZ3 LYS 8 HZ3 LYS 8 -12.984 13.336 5.603
53 H THR 9 H THR 9 -7.327 6.666 3.769
54 HA THR 9 HA THR 9 -9.095 5.469 1.681
55 HB THR 9 HB THR 9 -6.189 6.273 1.272
56 HG1 THR 9 HG1 THR 9 -7.462 8.116 1.448
57 HG21 THR 9 HG21 THR 9 -8.392 5.421 -0.661
58 HG22 THR 9 HG22 THR 9 -6.741 5.915 -1.098
59 HG23 THR 9 HG23 THR 9 -7.000 4.433 -0.169
60 H ILE 10 H ILE 10 -9.302 3.415 2.111
61 HA ILE 10 HA ILE 10 -7.332 1.793 3.531
62 HB ILE 10 HB ILE 10 -9.759 1.493 3.776
63 HG12 ILE 10 HG12 ILE 10 -8.393 -0.965 2.594
64 HG13 ILE 10 HG13 ILE 10 -8.297 -0.400 4.267
65 HG21 ILE 10 HG21 ILE 10 -9.751 0.477 0.914
66 HG22 ILE 10 HG22 ILE 10 -11.156 0.633 2.000
67 HG23 ILE 10 HG23 ILE 10 -10.336 2.078 1.413
68 HD11 ILE 10 HD11 ILE 10 -10.731 -1.517 2.837
69 HD12 ILE 10 HD12 ILE 10 -9.885 -2.165 4.250
70 HD13 ILE 10 HD13 ILE 10 -10.827 -0.676 4.404
71 H GLY 11 H GLY 11 -6.043 0.182 2.681
72 HA2 GLY 11 HA2 GLY 11 -5.785 -0.124 -0.269
73 HA3 GLY 11 HA3 GLY 11 -4.401 0.373 0.689
74 H ILE 12 H ILE 12 -3.687 -1.549 -0.454
75 HA ILE 12 HA ILE 12 -4.050 -4.084 1.030
76 HB ILE 12 HB ILE 12 -3.705 -3.402 -1.757
77 HG12 ILE 12 HG12 ILE 12 -5.256 -5.020 -0.965
78 HG13 ILE 12 HG13 ILE 12 -4.172 -5.689 -2.183
79 HG21 ILE 12 HG21 ILE 12 -1.341 -5.007 -0.766
80 HG22 ILE 12 HG22 ILE 12 -1.917 -4.936 -2.432
81 HG23 ILE 12 HG23 ILE 12 -1.377 -3.445 -1.633
82 HD11 ILE 12 HD11 ILE 12 -4.140 -6.295 0.778
83 HD12 ILE 12 HD12 ILE 12 -4.523 -7.389 -0.549
84 HD13 ILE 12 HD13 ILE 12 -2.857 -6.817 -0.343
85 H TYR 13 H TYR 13 -2.337 -5.007 2.050
86 HA TYR 13 HA TYR 13 -0.016 -3.228 2.641
87 HB2 TYR 13 HB2 TYR 13 -1.199 -4.053 4.576
88 HB3 TYR 13 HB3 TYR 13 -1.063 -5.711 4.009
89 HD1 TYR 13 HD1 TYR 13 1.099 -2.758 4.907
90 HD2 TYR 13 HD2 TYR 13 0.724 -7.055 4.696
91 HE1 TYR 13 HE1 TYR 13 3.285 -3.009 6.085
92 HE2 TYR 13 HE2 TYR 13 2.906 -7.299 5.872
93 HH TYR 13 HH TYR 13 4.627 -4.499 7.196
94 H TRP 14 H TRP 14 1.934 -3.542 1.897
95 HA TRP 14 HA TRP 14 2.774 -6.202 0.805
96 HB2 TRP 14 HB2 TRP 14 3.433 -3.368 -0.004
97 HB3 TRP 14 HB3 TRP 14 4.421 -4.744 -0.489
98 HD1 TRP 14 HD1 TRP 14 1.227 -2.967 -1.295
99 HE1 TRP 14 HE1 TRP 14 0.130 -4.016 -3.395
100 HE3 TRP 14 HE3 TRP 14 4.213 -7.093 -1.794
101 HZ2 TRP 14 HZ2 TRP 14 0.474 -6.364 -5.002
102 HZ3 TRP 14 HZ3 TRP 14 3.804 -8.730 -3.619
103 HH2 TRP 14 HH2 TRP 14 1.939 -8.386 -5.220
104 H PHE 15 H PHE 15 4.486 -7.169 1.714
105 HA PHE 15 HA PHE 15 5.807 -5.883 4.049
106 HB2 PHE 15 HB2 PHE 15 4.701 -7.974 4.480
107 HB3 PHE 15 HB3 PHE 15 5.503 -8.752 3.125
108 HD1 PHE 15 HD1 PHE 15 7.598 -9.845 3.404
109 HD2 PHE 15 HD2 PHE 15 6.184 -7.137 6.449
110 HE1 PHE 15 HE1 PHE 15 9.473 -10.523 4.884
111 HE2 PHE 15 HE2 PHE 15 8.059 -7.813 7.921
112 HZ PHE 15 HZ PHE 15 9.709 -9.508 7.145
113 H GLY 16 H GLY 16 7.968 -5.582 4.225
114 HA2 GLY 16 HA2 GLY 16 10.204 -5.535 3.845
115 HA3 GLY 16 HA3 GLY 16 9.981 -6.990 2.885
116 H THR 17 H THR 17 8.307 -5.370 0.906
117 HA THR 17 HA THR 17 10.378 -4.900 -0.963
118 HB THR 17 HB THR 17 8.162 -5.725 -1.543
119 HG1 THR 17 HG1 THR 17 7.879 -4.481 -3.381
120 HG21 THR 17 HG21 THR 17 7.152 -2.918 -0.950
121 HG22 THR 17 HG22 THR 17 6.244 -4.184 -1.789
122 HG23 THR 17 HG23 THR 17 6.702 -4.402 -0.093
123 H LYS 18 H LYS 18 8.920 -2.638 1.206
124 HA LYS 18 HA LYS 18 9.088 -0.433 1.642
125 HB2 LYS 18 HB2 LYS 18 11.541 -1.150 1.553
126 HB3 LYS 18 HB3 LYS 18 11.611 -0.357 -0.025
127 HG2 LYS 18 HG2 LYS 18 10.891 1.796 1.098
128 HG3 LYS 18 HG3 LYS 18 10.881 0.938 2.642
129 HD2 LYS 18 HD2 LYS 18 12.924 2.170 2.493
130 HD3 LYS 18 HD3 LYS 18 13.338 0.457 2.317
131 HE2 LYS 18 HE2 LYS 18 13.468 0.739 -0.149
132 HE3 LYS 18 HE3 LYS 18 12.964 2.426 0.007
133 HZ1 LYS 18 HZ1 LYS 18 15.009 2.853 1.263
134 HZ2 LYS 18 HZ2 LYS 18 15.478 1.294 1.117
135 HZ3 LYS 18 HZ3 LYS 18 15.372 2.242 -0.205
136 H THR 19 H THR 19 9.028 -1.182 -1.754
137 HA THR 19 HA THR 19 7.836 1.501 -2.346
138 HB THR 19 HB THR 19 10.055 0.972 -3.422
139 HG1 THR 19 HG1 THR 19 9.350 1.866 -5.346
140 HG21 THR 19 HG21 THR 19 9.593 -1.427 -4.019
141 HG22 THR 19 HG22 THR 19 8.373 -0.874 -5.186
142 HG23 THR 19 HG23 THR 19 10.082 -0.440 -5.406
143 H CYS 20 H CYS 20 6.276 1.518 -4.159
144 HA CYS 20 HA CYS 20 4.354 -0.726 -3.860
145 HB2 CYS 20 HB2 CYS 20 3.902 1.908 -3.598
146 HB3 CYS 20 HB3 CYS 20 3.692 1.812 -5.329
147 HA PRO 21 HA PRO 21 5.734 -2.090 -7.890
148 HB2 PRO 21 HB2 PRO 21 3.799 -3.973 -8.474
149 HB3 PRO 21 HB3 PRO 21 5.147 -4.226 -7.323
150 HG2 PRO 21 HG2 PRO 21 2.306 -3.402 -6.723
151 HG3 PRO 21 HG3 PRO 21 3.295 -4.631 -5.873
152 HD2 PRO 21 HD2 PRO 21 3.028 -2.175 -4.832
153 HD3 PRO 21 HD3 PRO 21 4.593 -3.028 -4.774
154 H SER 22 H SER 22 5.673 -0.781 -9.475
155 HA SER 22 HA SER 22 3.838 1.153 -10.019
156 HB2 SER 22 HB2 SER 22 5.757 -0.068 -12.041
157 HB3 SER 22 HB3 SER 22 5.144 1.595 -12.002
158 HG SER 22 HG SER 22 7.255 1.426 -11.111
159 H ASN 23 H ASN 23 3.867 -2.048 -11.541
160 HA ASN 23 HA ASN 23 2.015 -1.250 -13.669
161 HB2 ASN 23 HB2 ASN 23 3.263 -3.923 -12.918
162 HB3 ASN 23 HB3 ASN 23 2.278 -3.648 -14.352
163 HD21 ASN 23 HD21 ASN 23 5.386 -4.094 -13.629
164 HD22 ASN 23 HD22 ASN 23 6.113 -3.007 -14.803
165 H ARG 24 H ARG 24 1.413 -2.001 -10.453
166 HA ARG 24 HA ARG 24 -0.943 -3.685 -10.918
167 HB2 ARG 24 HB2 ARG 24 0.780 -3.881 -9.065
168 HB3 ARG 24 HB3 ARG 24 -0.039 -2.541 -8.265
169 HG2 ARG 24 HG2 ARG 24 -1.960 -3.818 -7.816
170 HG3 ARG 24 HG3 ARG 24 -1.734 -4.854 -9.237
171 HD2 ARG 24 HD2 ARG 24 0.229 -5.897 -8.172
172 HD3 ARG 24 HD3 ARG 24 -0.088 -4.966 -6.695
173 HE ARG 24 HE ARG 24 -2.476 -6.148 -6.946
174 HH11 ARG 24 HH11 ARG 24 0.584 -7.795 -7.517
175 HH12 ARG 24 HH12 ARG 24 -0.125 -9.343 -7.142
176 HH21 ARG 24 HH21 ARG 24 -3.254 -7.997 -6.548
177 HH22 ARG 24 HH22 ARG 24 -2.290 -9.480 -6.566
178 H GLY 25 H GLY 25 -0.501 -0.386 -11.015
179 HA2 GLY 25 HA2 GLY 25 -2.086 1.174 -11.690
180 HA3 GLY 25 HA3 GLY 25 -3.374 0.014 -11.372
181 H TYR 26 H TYR 26 -1.095 0.816 -8.807
182 HA TYR 26 HA TYR 26 -3.179 1.775 -7.074
183 HB2 TYR 26 HB2 TYR 26 -0.151 1.839 -6.820
184 HB3 TYR 26 HB3 TYR 26 -1.259 2.262 -5.524
185 HD1 TYR 26 HD1 TYR 26 0.911 -0.199 -6.260
186 HD2 TYR 26 HD2 TYR 26 -3.320 0.267 -5.460
187 HE1 TYR 26 HE1 TYR 26 0.756 -2.563 -5.483
188 HE2 TYR 26 HE2 TYR 26 -3.446 -2.090 -4.710
189 HH TYR 26 HH TYR 26 -2.311 -4.061 -4.475
190 H THR 27 H THR 27 -3.632 3.806 -6.270
191 HA THR 27 HA THR 27 -2.861 6.113 -7.983
192 HB THR 27 HB THR 27 -4.649 7.311 -6.798
193 HG1 THR 27 HG1 THR 27 -5.973 6.183 -5.394
194 HG21 THR 27 HG21 THR 27 -6.560 6.110 -7.721
195 HG22 THR 27 HG22 THR 27 -5.200 6.018 -8.851
196 HG23 THR 27 HG23 THR 27 -5.614 4.612 -7.847
197 H GLY 28 H GLY 28 -2.019 4.736 -4.936
198 HA2 GLY 28 HA2 GLY 28 0.150 6.526 -4.573
199 HA3 GLY 28 HA3 GLY 28 -1.145 7.015 -3.482
200 H SER 29 H SER 29 0.979 6.411 -2.200
201 HA SER 29 HA SER 29 0.356 3.962 -0.759
202 HB2 SER 29 HB2 SER 29 2.591 2.989 -0.904
203 HB3 SER 29 HB3 SER 29 1.830 3.075 -2.492
204 HG SER 29 HG SER 29 3.077 4.938 -2.937
205 H CYS 30 H CYS 30 1.692 3.691 1.206
206 HA CYS 30 HA CYS 30 3.191 6.016 2.195
207 HB2 CYS 30 HB2 CYS 30 1.816 6.299 4.195
208 HB3 CYS 30 HB3 CYS 30 0.844 6.603 2.755
209 H GLY 31 H GLY 31 4.648 5.480 3.862
210 HA2 GLY 31 HA2 GLY 31 5.435 2.737 4.078
211 HA3 GLY 31 HA3 GLY 31 6.020 4.055 5.091
212 H TYR 32 H TYR 32 4.950 1.150 5.567
213 HA TYR 32 HA TYR 32 2.975 1.781 7.727
214 HB2 TYR 32 HB2 TYR 32 2.222 0.773 5.388
215 HB3 TYR 32 HB3 TYR 32 2.800 -0.731 6.072
216 HD1 TYR 32 HD1 TYR 32 1.192 -2.004 7.338
217 HD2 TYR 32 HD2 TYR 32 0.636 2.248 6.835
218 HE1 TYR 32 HE1 TYR 32 -1.079 -2.174 8.348
219 HE2 TYR 32 HE2 TYR 32 -1.604 2.081 7.890
220 HH TYR 32 HH TYR 32 -3.144 0.704 8.893
221 H PHE 33 H PHE 33 2.684 -0.346 9.148
222 HA PHE 33 HA PHE 33 5.124 -0.750 10.540
223 HB2 PHE 33 HB2 PHE 33 2.850 -1.066 11.475
224 HB3 PHE 33 HB3 PHE 33 2.663 -2.505 10.465
225 HD1 PHE 33 HD1 PHE 33 5.206 -1.140 12.918
226 HD2 PHE 33 HD2 PHE 33 2.876 -4.530 11.610
227 HE1 PHE 33 HE1 PHE 33 6.187 -2.520 14.733
228 HE2 PHE 33 HE2 PHE 33 3.844 -5.898 13.441
229 HZ PHE 33 HZ PHE 33 5.506 -4.899 14.999
230 H LEU 34 H LEU 34 6.837 -1.964 10.121
231 HA LEU 34 HA LEU 34 8.311 -3.317 9.169
232 HB2 LEU 34 HB2 LEU 34 6.091 -5.359 9.001
233 HB3 LEU 34 HB3 LEU 34 7.819 -5.684 9.044
234 HG LEU 34 HG LEU 34 6.225 -4.458 11.333
235 HD11 LEU 34 HD11 LEU 34 7.305 -7.259 10.898
236 HD12 LEU 34 HD12 LEU 34 6.493 -6.662 12.370
237 HD13 LEU 34 HD13 LEU 34 5.599 -6.757 10.838
238 HD21 LEU 34 HD21 LEU 34 8.582 -3.769 11.431
239 HD22 LEU 34 HD22 LEU 34 8.225 -4.956 12.690
240 HD23 LEU 34 HD23 LEU 34 9.100 -5.461 11.223
241 H GLY 35 H GLY 35 6.151 -2.016 7.207
242 HA2 GLY 35 HA2 GLY 35 7.452 -2.798 4.692
243 HA3 GLY 35 HA3 GLY 35 5.853 -3.503 4.912
244 H ILE 36 H ILE 36 4.660 -2.461 3.429
245 HA ILE 36 HA ILE 36 4.291 0.468 3.602
246 HB ILE 36 HB ILE 36 6.037 0.465 2.080
247 HG12 ILE 36 HG12 ILE 36 3.614 0.366 0.248
248 HG13 ILE 36 HG13 ILE 36 3.880 1.658 1.392
249 HG21 ILE 36 HG21 ILE 36 4.750 -1.775 0.491
250 HG22 ILE 36 HG22 ILE 36 6.256 -0.949 0.085
251 HG23 ILE 36 HG23 ILE 36 6.183 -1.959 1.524
252 HD11 ILE 36 HD11 ILE 36 6.038 2.216 0.308
253 HD12 ILE 36 HD12 ILE 36 5.720 0.954 -0.910
254 HD13 ILE 36 HD13 ILE 36 4.658 2.350 -0.792
255 H CYS 37 H CYS 37 2.390 1.214 2.957
256 HA CYS 37 HA CYS 37 0.182 -0.707 2.369
257 HB2 CYS 37 HB2 CYS 37 -0.057 0.563 4.390
258 HB3 CYS 37 HB3 CYS 37 0.422 2.045 3.596
259 H CYS 38 H CYS 38 -0.652 -0.666 0.358
260 HA CYS 38 HA CYS 38 -0.140 1.624 -1.515
261 HB2 CYS 38 HB2 CYS 38 -0.151 -1.380 -1.950
262 HB3 CYS 38 HB3 CYS 38 -0.260 -0.207 -3.259
263 H TYR 39 H TYR 39 -1.943 2.413 -2.574
264 HA TYR 39 HA TYR 39 -4.522 1.002 -2.150
265 HB2 TYR 39 HB2 TYR 39 -5.544 3.211 -1.509
266 HB3 TYR 39 HB3 TYR 39 -4.551 2.397 -0.329
267 HD1 TYR 39 HD1 TYR 39 -2.662 3.428 0.662
268 HD2 TYR 39 HD2 TYR 39 -4.592 5.240 -2.750
269 HE1 TYR 39 HE1 TYR 39 -1.380 5.525 1.053
270 HE2 TYR 39 HE2 TYR 39 -3.330 7.347 -2.336
271 HH TYR 39 HH TYR 39 -0.964 7.675 0.332
272 HA PRO 40 HA PRO 40 -6.918 1.821 -2.526
273 HB2 PRO 40 HB2 PRO 40 -8.724 0.727 -4.235
274 HB3 PRO 40 HB3 PRO 40 -8.474 2.492 -4.085
275 HG2 PRO 40 HG2 PRO 40 -7.242 0.608 -6.134
276 HG3 PRO 40 HG3 PRO 40 -8.123 2.142 -6.440
277 HD2 PRO 40 HD2 PRO 40 -5.414 2.077 -6.323
278 HD3 PRO 40 HD3 PRO 40 -6.329 3.444 -5.625
279 H VAL 41 H VAL 41 -7.890 -0.182 -1.811
280 HA VAL 41 HA VAL 41 -6.157 -2.414 -1.670
281 HB VAL 41 HB VAL 41 -7.809 -1.739 0.033
282 HG11 VAL 41 HG11 VAL 41 -9.954 -2.986 -1.719
283 HG12 VAL 41 HG12 VAL 41 -10.142 -2.329 -0.083
284 HG13 VAL 41 HG13 VAL 41 -9.760 -1.244 -1.425
285 HG21 VAL 41 HG21 VAL 41 -8.542 -3.973 0.713
286 HG22 VAL 41 HG22 VAL 41 -8.136 -4.616 -0.887
287 HG23 VAL 41 HG23 VAL 41 -6.863 -3.962 0.179
288 H ASP 42 H ASP 42 -6.050 -4.346 -2.678
289 HA ASP 42 HA ASP 42 -7.615 -4.734 -5.195
290 HB2 ASP 42 HB2 ASP 42 -5.410 -3.875 -5.660
291 HB3 ASP 42 HB3 ASP 42 -4.659 -5.086 -4.627
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -6.067 -11.670 2.054
2 H2 GLY 1 H2 GLY 1 -6.044 -11.711 0.417
3 H3 GLY 1 H3 GLY 1 -7.004 -10.636 1.195
4 HA2 GLY 1 HA2 GLY 1 -4.054 -10.630 1.245
5 HA3 GLY 1 HA3 GLY 1 -5.062 -9.529 0.289
6 H THR 2 H THR 2 -3.148 -9.382 2.815
7 HA THR 2 HA THR 2 -4.719 -8.389 4.989
8 HB THR 2 HB THR 2 -1.796 -7.847 4.343
9 HG1 THR 2 HG1 THR 2 -1.448 -9.678 5.615
10 HG21 THR 2 HG21 THR 2 -2.595 -6.424 6.191
11 HG22 THR 2 HG22 THR 2 -3.317 -7.838 6.993
12 HG23 THR 2 HG23 THR 2 -1.552 -7.702 6.817
13 H THR 3 H THR 3 -5.671 -6.432 5.331
14 HA THR 3 HA THR 3 -5.474 -4.322 3.369
15 HB THR 3 HB THR 3 -6.965 -3.246 5.398
16 HG1 THR 3 HG1 THR 3 -8.226 -4.912 6.241
17 HG21 THR 3 HG21 THR 3 -7.797 -5.206 3.238
18 HG22 THR 3 HG22 THR 3 -8.920 -4.176 4.161
19 HG23 THR 3 HG23 THR 3 -7.675 -3.430 3.138
20 H CYS 4 H CYS 4 -5.159 -2.151 3.786
21 HA CYS 4 HA CYS 4 -3.700 -1.378 6.219
22 HB2 CYS 4 HB2 CYS 4 -1.929 -0.303 5.077
23 HB3 CYS 4 HB3 CYS 4 -2.055 -1.901 4.387
24 H TYR 5 H TYR 5 -3.654 1.054 6.540
25 HA TYR 5 HA TYR 5 -5.800 2.504 5.046
26 HB2 TYR 5 HB2 TYR 5 -5.542 2.331 8.070
27 HB3 TYR 5 HB3 TYR 5 -6.594 3.440 7.211
28 HD1 TYR 5 HD1 TYR 5 -6.039 -0.112 8.117
29 HD2 TYR 5 HD2 TYR 5 -8.696 2.721 6.236
30 HE1 TYR 5 HE1 TYR 5 -7.867 -1.802 8.160
31 HE2 TYR 5 HE2 TYR 5 -10.534 1.037 6.310
32 HH TYR 5 HH TYR 5 -10.064 -2.242 7.678
33 H CYS 6 H CYS 6 -5.234 4.505 4.430
34 HA CYS 6 HA CYS 6 -3.465 6.095 6.214
35 HB2 CYS 6 HB2 CYS 6 -2.626 5.029 3.610
36 HB3 CYS 6 HB3 CYS 6 -2.500 6.780 3.671
37 H GLY 7 H GLY 7 -4.164 8.147 6.479
38 HA2 GLY 7 HA2 GLY 7 -5.528 9.999 6.286
39 HA3 GLY 7 HA3 GLY 7 -5.299 9.854 4.538
40 H LYS 8 H LYS 8 -6.908 7.508 6.649
41 HA LYS 8 HA LYS 8 -8.829 6.341 6.471
42 HB2 LYS 8 HB2 LYS 8 -10.099 9.017 5.839
43 HB3 LYS 8 HB3 LYS 8 -10.947 7.545 6.324
44 HG2 LYS 8 HG2 LYS 8 -9.649 7.523 8.473
45 HG3 LYS 8 HG3 LYS 8 -8.889 9.046 8.001
46 HD2 LYS 8 HD2 LYS 8 -10.649 9.550 9.528
47 HD3 LYS 8 HD3 LYS 8 -11.141 10.130 7.930
48 HE2 LYS 8 HE2 LYS 8 -12.565 8.120 7.633
49 HE3 LYS 8 HE3 LYS 8 -12.012 7.482 9.187
50 HZ1 LYS 8 HZ1 LYS 8 -13.551 10.001 8.834
51 HZ2 LYS 8 HZ2 LYS 8 -14.160 8.595 9.395
52 HZ3 LYS 8 HZ3 LYS 8 -13.046 9.403 10.269
53 H THR 9 H THR 9 -7.209 6.732 3.991
54 HA THR 9 HA THR 9 -9.121 5.629 1.987
55 HB THR 9 HB THR 9 -6.261 6.595 1.552
56 HG1 THR 9 HG1 THR 9 -7.727 8.289 1.920
57 HG21 THR 9 HG21 THR 9 -8.423 5.688 -0.400
58 HG22 THR 9 HG22 THR 9 -6.858 6.408 -0.840
59 HG23 THR 9 HG23 THR 9 -6.904 4.834 -0.040
60 H ILE 10 H ILE 10 -9.271 3.539 2.242
61 HA ILE 10 HA ILE 10 -7.278 1.877 3.531
62 HB ILE 10 HB ILE 10 -9.699 1.588 3.798
63 HG12 ILE 10 HG12 ILE 10 -8.360 -0.850 2.554
64 HG13 ILE 10 HG13 ILE 10 -8.260 -0.322 4.238
65 HG21 ILE 10 HG21 ILE 10 -9.734 0.655 0.912
66 HG22 ILE 10 HG22 ILE 10 -11.124 0.790 2.019
67 HG23 ILE 10 HG23 ILE 10 -10.297 2.246 1.467
68 HD11 ILE 10 HD11 ILE 10 -9.861 -2.080 4.181
69 HD12 ILE 10 HD12 ILE 10 -10.795 -0.589 4.367
70 HD13 ILE 10 HD13 ILE 10 -10.701 -1.394 2.782
71 H GLY 11 H GLY 11 -6.010 0.261 2.627
72 HA2 GLY 11 HA2 GLY 11 -5.882 -0.076 -0.323
73 HA3 GLY 11 HA3 GLY 11 -4.443 0.436 0.550
74 H ILE 12 H ILE 12 -3.737 -1.497 -0.536
75 HA ILE 12 HA ILE 12 -4.082 -4.012 0.985
76 HB ILE 12 HB ILE 12 -3.714 -3.362 -1.808
77 HG12 ILE 12 HG12 ILE 12 -5.269 -4.977 -1.021
78 HG13 ILE 12 HG13 ILE 12 -4.161 -5.661 -2.208
79 HG21 ILE 12 HG21 ILE 12 -1.386 -3.409 -1.665
80 HG22 ILE 12 HG22 ILE 12 -1.364 -4.961 -0.780
81 HG23 ILE 12 HG23 ILE 12 -1.924 -4.904 -2.452
82 HD11 ILE 12 HD11 ILE 12 -2.878 -6.730 -0.288
83 HD12 ILE 12 HD12 ILE 12 -4.233 -6.226 0.756
84 HD13 ILE 12 HD13 ILE 12 -4.516 -7.341 -0.577
85 H TYR 13 H TYR 13 -2.389 -4.905 2.042
86 HA TYR 13 HA TYR 13 -0.053 -3.135 2.607
87 HB2 TYR 13 HB2 TYR 13 -1.253 -3.911 4.560
88 HB3 TYR 13 HB3 TYR 13 -1.124 -5.577 4.028
89 HD1 TYR 13 HD1 TYR 13 1.086 -2.623 4.815
90 HD2 TYR 13 HD2 TYR 13 0.609 -6.914 4.837
91 HE1 TYR 13 HE1 TYR 13 3.248 -2.860 6.042
92 HE2 TYR 13 HE2 TYR 13 2.759 -7.142 6.076
93 HH TYR 13 HH TYR 13 4.524 -4.307 7.273
94 H TRP 14 H TRP 14 1.901 -3.499 1.879
95 HA TRP 14 HA TRP 14 2.689 -6.185 0.818
96 HB2 TRP 14 HB2 TRP 14 3.384 -3.366 -0.013
97 HB3 TRP 14 HB3 TRP 14 4.366 -4.748 -0.470
98 HD1 TRP 14 HD1 TRP 14 1.188 -2.965 -1.344
99 HE1 TRP 14 HE1 TRP 14 0.115 -4.042 -3.437
100 HE3 TRP 14 HE3 TRP 14 4.161 -7.118 -1.741
101 HZ2 TRP 14 HZ2 TRP 14 0.468 -6.414 -5.009
102 HZ3 TRP 14 HZ3 TRP 14 3.766 -8.776 -3.551
103 HH2 TRP 14 HH2 TRP 14 1.925 -8.445 -5.180
104 H PHE 15 H PHE 15 4.326 -7.185 1.811
105 HA PHE 15 HA PHE 15 5.708 -5.853 4.082
106 HB2 PHE 15 HB2 PHE 15 4.511 -7.874 4.606
107 HB3 PHE 15 HB3 PHE 15 5.284 -8.748 3.292
108 HD1 PHE 15 HD1 PHE 15 7.338 -9.904 3.631
109 HD2 PHE 15 HD2 PHE 15 6.014 -7.009 6.541
110 HE1 PHE 15 HE1 PHE 15 9.176 -10.589 5.155
111 HE2 PHE 15 HE2 PHE 15 7.852 -7.692 8.057
112 HZ PHE 15 HZ PHE 15 9.437 -9.485 7.370
113 H GLY 16 H GLY 16 7.886 -5.644 4.239
114 HA2 GLY 16 HA2 GLY 16 10.121 -5.726 3.839
115 HA3 GLY 16 HA3 GLY 16 9.821 -7.176 2.892
116 H THR 17 H THR 17 8.200 -5.605 0.891
117 HA THR 17 HA THR 17 10.276 -5.118 -0.972
118 HB THR 17 HB THR 17 8.019 -5.960 -1.508
119 HG1 THR 17 HG1 THR 17 9.196 -5.142 -3.190
120 HG21 THR 17 HG21 THR 17 6.605 -4.526 -0.134
121 HG22 THR 17 HG22 THR 17 7.083 -3.101 -1.071
122 HG23 THR 17 HG23 THR 17 6.157 -4.393 -1.847
123 H LYS 18 H LYS 18 8.769 -2.882 1.181
124 HA LYS 18 HA LYS 18 9.008 -0.709 1.705
125 HB2 LYS 18 HB2 LYS 18 11.397 -1.555 1.634
126 HB3 LYS 18 HB3 LYS 18 11.574 -0.703 0.096
127 HG2 LYS 18 HG2 LYS 18 10.961 1.438 1.251
128 HG3 LYS 18 HG3 LYS 18 10.844 0.558 2.780
129 HD2 LYS 18 HD2 LYS 18 13.342 0.879 1.054
130 HD3 LYS 18 HD3 LYS 18 12.987 1.748 2.554
131 HE2 LYS 18 HE2 LYS 18 12.956 -0.432 3.787
132 HE3 LYS 18 HE3 LYS 18 13.384 -1.267 2.286
133 HZ1 LYS 18 HZ1 LYS 18 15.351 -0.819 3.632
134 HZ2 LYS 18 HZ2 LYS 18 15.455 0.018 2.236
135 HZ3 LYS 18 HZ3 LYS 18 15.065 0.787 3.626
136 H THR 19 H THR 19 9.156 -1.235 -1.748
137 HA THR 19 HA THR 19 7.905 1.451 -2.211
138 HB THR 19 HB THR 19 10.130 0.990 -3.313
139 HG1 THR 19 HG1 THR 19 9.415 1.985 -5.182
140 HG21 THR 19 HG21 THR 19 9.675 -1.377 -4.036
141 HG22 THR 19 HG22 THR 19 8.451 -0.765 -5.171
142 HG23 THR 19 HG23 THR 19 10.159 -0.315 -5.369
143 H CYS 20 H CYS 20 6.325 1.532 -4.032
144 HA CYS 20 HA CYS 20 4.437 -0.741 -3.797
145 HB2 CYS 20 HB2 CYS 20 3.897 1.853 -3.529
146 HB3 CYS 20 HB3 CYS 20 3.781 1.798 -5.272
147 HA PRO 21 HA PRO 21 5.736 -1.970 -7.927
148 HB2 PRO 21 HB2 PRO 21 3.965 -4.006 -8.415
149 HB3 PRO 21 HB3 PRO 21 5.316 -4.147 -7.248
150 HG2 PRO 21 HG2 PRO 21 2.420 -3.485 -6.680
151 HG3 PRO 21 HG3 PRO 21 3.466 -4.656 -5.819
152 HD2 PRO 21 HD2 PRO 21 3.059 -2.176 -4.826
153 HD3 PRO 21 HD3 PRO 21 4.641 -2.992 -4.692
154 H SER 22 H SER 22 5.434 -0.297 -9.153
155 HA SER 22 HA SER 22 3.185 1.186 -9.660
156 HB2 SER 22 HB2 SER 22 5.500 0.705 -11.581
157 HB3 SER 22 HB3 SER 22 4.470 2.139 -11.489
158 HG SER 22 HG SER 22 5.324 2.586 -9.437
159 H ASN 23 H ASN 23 4.130 -1.745 -11.391
160 HA ASN 23 HA ASN 23 2.361 -1.403 -13.650
161 HB2 ASN 23 HB2 ASN 23 3.747 -3.869 -12.504
162 HB3 ASN 23 HB3 ASN 23 2.916 -3.812 -14.054
163 HD21 ASN 23 HD21 ASN 23 5.964 -3.477 -12.636
164 HD22 ASN 23 HD22 ASN 23 6.715 -2.590 -13.951
165 H ARG 24 H ARG 24 1.601 -2.159 -10.394
166 HA ARG 24 HA ARG 24 -0.713 -3.862 -11.017
167 HB2 ARG 24 HB2 ARG 24 0.890 -4.065 -9.057
168 HB3 ARG 24 HB3 ARG 24 0.040 -2.711 -8.318
169 HG2 ARG 24 HG2 ARG 24 -1.919 -3.961 -7.975
170 HG3 ARG 24 HG3 ARG 24 -1.611 -5.022 -9.365
171 HD2 ARG 24 HD2 ARG 24 0.267 -6.062 -8.176
172 HD3 ARG 24 HD3 ARG 24 -0.092 -5.082 -6.741
173 HE ARG 24 HE ARG 24 -2.481 -6.241 -7.022
174 HH11 ARG 24 HH11 ARG 24 0.564 -7.949 -7.490
175 HH12 ARG 24 HH12 ARG 24 -0.176 -9.475 -7.082
176 HH21 ARG 24 HH21 ARG 24 -3.292 -8.064 -6.578
177 HH22 ARG 24 HH22 ARG 24 -2.352 -9.563 -6.541
178 H GLY 25 H GLY 25 -0.228 -0.553 -11.073
179 HA2 GLY 25 HA2 GLY 25 -1.748 1.025 -11.828
180 HA3 GLY 25 HA3 GLY 25 -3.071 -0.117 -11.590
181 H TYR 26 H TYR 26 -0.907 0.684 -8.911
182 HA TYR 26 HA TYR 26 -3.067 1.669 -7.278
183 HB2 TYR 26 HB2 TYR 26 -0.051 1.756 -6.891
184 HB3 TYR 26 HB3 TYR 26 -1.227 2.199 -5.659
185 HD1 TYR 26 HD1 TYR 26 0.988 -0.279 -6.299
186 HD2 TYR 26 HD2 TYR 26 -3.254 0.224 -5.581
187 HE1 TYR 26 HE1 TYR 26 0.796 -2.643 -5.526
188 HE2 TYR 26 HE2 TYR 26 -3.413 -2.125 -4.810
189 HH TYR 26 HH TYR 26 -2.303 -4.109 -4.556
190 H THR 27 H THR 27 -3.531 3.704 -6.512
191 HA THR 27 HA THR 27 -2.690 5.960 -8.268
192 HB THR 27 HB THR 27 -5.127 5.370 -7.832
193 HG1 THR 27 HG1 THR 27 -4.599 7.302 -8.748
194 HG21 THR 27 HG21 THR 27 -4.967 5.147 -5.329
195 HG22 THR 27 HG22 THR 27 -4.693 6.897 -5.229
196 HG23 THR 27 HG23 THR 27 -6.216 6.270 -5.886
197 H GLY 28 H GLY 28 -2.050 4.708 -5.118
198 HA2 GLY 28 HA2 GLY 28 0.069 6.563 -4.689
199 HA3 GLY 28 HA3 GLY 28 -1.290 7.003 -3.660
200 H SER 29 H SER 29 0.852 6.454 -2.334
201 HA SER 29 HA SER 29 0.311 3.952 -0.916
202 HB2 SER 29 HB2 SER 29 2.612 3.144 -1.063
203 HB3 SER 29 HB3 SER 29 1.890 3.246 -2.672
204 HG SER 29 HG SER 29 4.013 4.143 -2.642
205 H CYS 30 H CYS 30 1.644 3.729 1.063
206 HA CYS 30 HA CYS 30 3.112 6.064 2.004
207 HB2 CYS 30 HB2 CYS 30 1.828 6.493 3.982
208 HB3 CYS 30 HB3 CYS 30 0.722 6.593 2.614
209 H GLY 31 H GLY 31 4.637 5.557 3.613
210 HA2 GLY 31 HA2 GLY 31 5.410 2.811 3.870
211 HA3 GLY 31 HA3 GLY 31 6.043 4.149 4.828
212 H TYR 32 H TYR 32 4.955 1.274 5.422
213 HA TYR 32 HA TYR 32 2.962 1.973 7.543
214 HB2 TYR 32 HB2 TYR 32 2.286 0.818 5.252
215 HB3 TYR 32 HB3 TYR 32 2.909 -0.625 6.021
216 HD1 TYR 32 HD1 TYR 32 1.328 -1.894 7.341
217 HD2 TYR 32 HD2 TYR 32 0.604 2.291 6.561
218 HE1 TYR 32 HE1 TYR 32 -0.957 -2.116 8.282
219 HE2 TYR 32 HE2 TYR 32 -1.666 2.069 7.546
220 HH TYR 32 HH TYR 32 -2.925 -1.038 8.794
221 H PHE 33 H PHE 33 2.728 -0.072 9.093
222 HA PHE 33 HA PHE 33 5.243 -0.394 10.421
223 HB2 PHE 33 HB2 PHE 33 2.996 -0.573 11.486
224 HB3 PHE 33 HB3 PHE 33 2.755 -2.102 10.631
225 HD1 PHE 33 HD1 PHE 33 5.483 -0.540 12.752
226 HD2 PHE 33 HD2 PHE 33 2.977 -3.976 12.015
227 HE1 PHE 33 HE1 PHE 33 6.573 -1.741 14.630
228 HE2 PHE 33 HE2 PHE 33 4.056 -5.162 13.912
229 HZ PHE 33 HZ PHE 33 5.861 -4.051 15.214
230 H LEU 34 H LEU 34 6.881 -1.725 10.054
231 HA LEU 34 HA LEU 34 8.270 -3.192 9.126
232 HB2 LEU 34 HB2 LEU 34 5.942 -5.120 9.124
233 HB3 LEU 34 HB3 LEU 34 7.649 -5.538 9.116
234 HG LEU 34 HG LEU 34 6.230 -4.110 11.406
235 HD11 LEU 34 HD11 LEU 34 7.093 -7.001 11.074
236 HD12 LEU 34 HD12 LEU 34 6.389 -6.273 12.543
237 HD13 LEU 34 HD13 LEU 34 5.424 -6.382 11.058
238 HD21 LEU 34 HD21 LEU 34 8.247 -4.687 12.705
239 HD22 LEU 34 HD22 LEU 34 9.021 -5.324 11.235
240 HD23 LEU 34 HD23 LEU 34 8.634 -3.592 11.374
241 H GLY 35 H GLY 35 6.085 -1.893 7.162
242 HA2 GLY 35 HA2 GLY 35 7.333 -2.800 4.661
243 HA3 GLY 35 HA3 GLY 35 5.716 -3.446 4.922
244 H ILE 36 H ILE 36 4.597 -2.415 3.356
245 HA ILE 36 HA ILE 36 4.251 0.520 3.503
246 HB ILE 36 HB ILE 36 5.992 0.483 1.976
247 HG12 ILE 36 HG12 ILE 36 3.565 0.390 0.145
248 HG13 ILE 36 HG13 ILE 36 3.839 1.689 1.282
249 HG21 ILE 36 HG21 ILE 36 4.678 -1.743 0.390
250 HG22 ILE 36 HG22 ILE 36 6.208 -0.956 0.006
251 HG23 ILE 36 HG23 ILE 36 6.094 -1.958 1.443
252 HD11 ILE 36 HD11 ILE 36 4.615 2.347 -0.914
253 HD12 ILE 36 HD12 ILE 36 5.990 2.236 0.199
254 HD13 ILE 36 HD13 ILE 36 5.683 0.949 -0.997
255 H CYS 37 H CYS 37 2.359 1.284 2.819
256 HA CYS 37 HA CYS 37 0.131 -0.622 2.260
257 HB2 CYS 37 HB2 CYS 37 -0.064 0.759 4.243
258 HB3 CYS 37 HB3 CYS 37 0.362 2.197 3.336
259 H CYS 38 H CYS 38 -0.733 -0.594 0.255
260 HA CYS 38 HA CYS 38 -0.175 1.633 -1.676
261 HB2 CYS 38 HB2 CYS 38 -0.221 -1.376 -2.054
262 HB3 CYS 38 HB3 CYS 38 -0.263 -0.213 -3.378
263 H TYR 39 H TYR 39 -1.984 2.422 -2.738
264 HA TYR 39 HA TYR 39 -4.560 1.011 -2.317
265 HB2 TYR 39 HB2 TYR 39 -5.610 3.198 -1.666
266 HB3 TYR 39 HB3 TYR 39 -4.586 2.414 -0.496
267 HD1 TYR 39 HD1 TYR 39 -2.695 3.481 0.452
268 HD2 TYR 39 HD2 TYR 39 -4.763 5.251 -2.895
269 HE1 TYR 39 HE1 TYR 39 -1.463 5.615 0.824
270 HE2 TYR 39 HE2 TYR 39 -3.536 7.390 -2.517
271 HH TYR 39 HH TYR 39 -1.111 7.768 0.089
272 HA PRO 40 HA PRO 40 -6.969 1.817 -2.720
273 HB2 PRO 40 HB2 PRO 40 -8.736 0.667 -4.434
274 HB3 PRO 40 HB3 PRO 40 -8.512 2.437 -4.314
275 HG2 PRO 40 HG2 PRO 40 -7.216 0.536 -6.307
276 HG3 PRO 40 HG3 PRO 40 -8.124 2.045 -6.657
277 HD2 PRO 40 HD2 PRO 40 -5.419 2.047 -6.500
278 HD3 PRO 40 HD3 PRO 40 -6.374 3.399 -5.824
279 H VAL 41 H VAL 41 -7.937 -0.187 -1.985
280 HA VAL 41 HA VAL 41 -6.172 -2.397 -1.780
281 HB VAL 41 HB VAL 41 -7.848 -1.704 -0.104
282 HG11 VAL 41 HG11 VAL 41 -10.171 -2.328 -0.227
283 HG12 VAL 41 HG12 VAL 41 -9.793 -1.271 -1.593
284 HG13 VAL 41 HG13 VAL 41 -9.959 -3.022 -1.845
285 HG21 VAL 41 HG21 VAL 41 -6.867 -3.904 0.105
286 HG22 VAL 41 HG22 VAL 41 -8.550 -3.935 0.620
287 HG23 VAL 41 HG23 VAL 41 -8.112 -4.605 -0.962
288 H ASP 42 H ASP 42 -6.045 -4.349 -2.767
289 HA ASP 42 HA ASP 42 -7.585 -4.767 -5.295
290 HB2 ASP 42 HB2 ASP 42 -5.375 -3.876 -5.728
291 HB3 ASP 42 HB3 ASP 42 -4.629 -5.103 -4.712
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -7.143 -13.421 4.546
2 H2 GLY 1 H2 GLY 1 -7.429 -12.159 5.553
3 H3 GLY 1 H3 GLY 1 -6.107 -13.098 5.774
4 HA2 GLY 1 HA2 GLY 1 -5.165 -12.382 3.673
5 HA3 GLY 1 HA3 GLY 1 -6.590 -11.349 3.450
6 H THR 2 H THR 2 -5.168 -9.512 3.316
7 HA THR 2 HA THR 2 -4.643 -8.307 5.944
8 HB THR 2 HB THR 2 -2.512 -9.431 5.363
9 HG1 THR 2 HG1 THR 2 -1.361 -7.720 6.011
10 HG21 THR 2 HG21 THR 2 -1.052 -8.505 3.641
11 HG22 THR 2 HG22 THR 2 -2.521 -9.142 2.889
12 HG23 THR 2 HG23 THR 2 -2.323 -7.389 3.102
13 H THR 3 H THR 3 -4.249 -5.999 5.829
14 HA THR 3 HA THR 3 -5.209 -4.537 3.460
15 HB THR 3 HB THR 3 -6.839 -3.951 5.900
16 HG1 THR 3 HG1 THR 3 -7.112 -6.146 5.915
17 HG21 THR 3 HG21 THR 3 -8.625 -3.741 4.158
18 HG22 THR 3 HG22 THR 3 -7.242 -2.669 3.895
19 HG23 THR 3 HG23 THR 3 -7.424 -4.148 2.921
20 H CYS 4 H CYS 4 -5.137 -2.164 3.790
21 HA CYS 4 HA CYS 4 -3.675 -1.232 6.203
22 HB2 CYS 4 HB2 CYS 4 -1.929 -0.252 5.033
23 HB3 CYS 4 HB3 CYS 4 -2.065 -1.856 4.344
24 H TYR 5 H TYR 5 -3.655 1.176 6.380
25 HA TYR 5 HA TYR 5 -5.836 2.561 4.897
26 HB2 TYR 5 HB2 TYR 5 -5.609 2.402 7.928
27 HB3 TYR 5 HB3 TYR 5 -6.647 3.515 7.060
28 HD1 TYR 5 HD1 TYR 5 -6.117 -0.053 7.941
29 HD2 TYR 5 HD2 TYR 5 -8.765 2.834 6.129
30 HE1 TYR 5 HE1 TYR 5 -7.980 -1.711 8.013
31 HE2 TYR 5 HE2 TYR 5 -10.631 1.191 6.237
32 HH TYR 5 HH TYR 5 -11.282 -0.917 6.869
33 H CYS 6 H CYS 6 -5.308 4.594 4.325
34 HA CYS 6 HA CYS 6 -3.664 6.226 6.172
35 HB2 CYS 6 HB2 CYS 6 -2.697 5.274 3.525
36 HB3 CYS 6 HB3 CYS 6 -2.499 6.997 3.805
37 H GLY 7 H GLY 7 -4.445 8.265 6.355
38 HA2 GLY 7 HA2 GLY 7 -5.781 10.112 6.008
39 HA3 GLY 7 HA3 GLY 7 -5.382 9.931 4.297
40 H LYS 8 H LYS 8 -7.276 7.715 6.334
41 HA LYS 8 HA LYS 8 -9.218 6.599 6.004
42 HB2 LYS 8 HB2 LYS 8 -10.275 9.291 5.091
43 HB3 LYS 8 HB3 LYS 8 -11.259 7.882 5.493
44 HG2 LYS 8 HG2 LYS 8 -10.307 7.869 7.796
45 HG3 LYS 8 HG3 LYS 8 -9.416 9.356 7.414
46 HD2 LYS 8 HD2 LYS 8 -11.549 10.544 6.989
47 HD3 LYS 8 HD3 LYS 8 -12.446 9.046 7.253
48 HE2 LYS 8 HE2 LYS 8 -12.652 10.331 9.246
49 HE3 LYS 8 HE3 LYS 8 -11.607 8.955 9.601
50 HZ1 LYS 8 HZ1 LYS 8 -9.688 10.452 9.406
51 HZ2 LYS 8 HZ2 LYS 8 -10.657 11.718 9.037
52 HZ3 LYS 8 HZ3 LYS 8 -10.728 11.035 10.515
53 H THR 9 H THR 9 -7.307 6.797 3.699
54 HA THR 9 HA THR 9 -9.048 5.611 1.589
55 HB THR 9 HB THR 9 -6.166 6.554 1.301
56 HG1 THR 9 HG1 THR 9 -7.621 8.284 1.545
57 HG21 THR 9 HG21 THR 9 -6.780 4.757 -0.267
58 HG22 THR 9 HG22 THR 9 -8.258 5.632 -0.726
59 HG23 THR 9 HG23 THR 9 -6.661 6.306 -1.114
60 H ILE 10 H ILE 10 -9.242 3.553 2.003
61 HA ILE 10 HA ILE 10 -7.286 1.923 3.408
62 HB ILE 10 HB ILE 10 -9.738 1.679 3.604
63 HG12 ILE 10 HG12 ILE 10 -8.374 -0.831 2.544
64 HG13 ILE 10 HG13 ILE 10 -8.326 -0.216 4.202
65 HG21 ILE 10 HG21 ILE 10 -9.658 0.556 0.787
66 HG22 ILE 10 HG22 ILE 10 -11.093 0.798 1.817
67 HG23 ILE 10 HG23 ILE 10 -10.211 2.195 1.195
68 HD11 ILE 10 HD11 ILE 10 -10.875 -0.433 4.238
69 HD12 ILE 10 HD12 ILE 10 -10.719 -1.351 2.722
70 HD13 ILE 10 HD13 ILE 10 -9.952 -1.941 4.206
71 H GLY 11 H GLY 11 -6.035 0.246 2.559
72 HA2 GLY 11 HA2 GLY 11 -5.780 -0.076 -0.383
73 HA3 GLY 11 HA3 GLY 11 -4.384 0.448 0.546
74 H ILE 12 H ILE 12 -3.641 -1.482 -0.564
75 HA ILE 12 HA ILE 12 -4.030 -3.971 0.986
76 HB ILE 12 HB ILE 12 -3.729 -3.422 -1.803
77 HG12 ILE 12 HG12 ILE 12 -5.204 -5.054 -0.912
78 HG13 ILE 12 HG13 ILE 12 -4.126 -5.755 -2.111
79 HG21 ILE 12 HG21 ILE 12 -1.289 -4.902 -0.805
80 HG22 ILE 12 HG22 ILE 12 -1.897 -4.905 -2.458
81 HG23 ILE 12 HG23 ILE 12 -1.395 -3.369 -1.720
82 HD11 ILE 12 HD11 ILE 12 -3.822 -6.135 0.902
83 HD12 ILE 12 HD12 ILE 12 -4.434 -7.320 -0.257
84 HD13 ILE 12 HD13 ILE 12 -2.742 -6.799 -0.343
85 H TYR 13 H TYR 13 -2.312 -4.891 2.061
86 HA TYR 13 HA TYR 13 0.006 -3.099 2.613
87 HB2 TYR 13 HB2 TYR 13 -1.146 -3.841 4.583
88 HB3 TYR 13 HB3 TYR 13 -1.101 -5.512 4.050
89 HD1 TYR 13 HD1 TYR 13 1.196 -2.648 4.911
90 HD2 TYR 13 HD2 TYR 13 0.648 -6.924 4.714
91 HE1 TYR 13 HE1 TYR 13 3.367 -2.984 6.104
92 HE2 TYR 13 HE2 TYR 13 2.801 -7.254 5.922
93 HH TYR 13 HH TYR 13 4.647 -4.530 7.241
94 H TRP 14 H TRP 14 1.937 -3.459 1.859
95 HA TRP 14 HA TRP 14 2.713 -6.140 0.756
96 HB2 TRP 14 HB2 TRP 14 3.409 -3.326 -0.095
97 HB3 TRP 14 HB3 TRP 14 4.371 -4.709 -0.572
98 HD1 TRP 14 HD1 TRP 14 1.165 -2.947 -1.382
99 HE1 TRP 14 HE1 TRP 14 0.091 -4.022 -3.479
100 HE3 TRP 14 HE3 TRP 14 4.194 -7.054 -1.852
101 HZ2 TRP 14 HZ2 TRP 14 0.465 -6.367 -5.081
102 HZ3 TRP 14 HZ3 TRP 14 3.812 -8.694 -3.679
103 HH2 TRP 14 HH2 TRP 14 1.951 -8.371 -5.290
104 H PHE 15 H PHE 15 4.364 -7.156 1.708
105 HA PHE 15 HA PHE 15 5.742 -5.862 4.000
106 HB2 PHE 15 HB2 PHE 15 4.547 -7.879 4.503
107 HB3 PHE 15 HB3 PHE 15 5.279 -8.732 3.156
108 HD1 PHE 15 HD1 PHE 15 7.065 -10.180 3.593
109 HD2 PHE 15 HD2 PHE 15 6.334 -6.894 6.291
110 HE1 PHE 15 HE1 PHE 15 8.882 -10.988 5.078
111 HE2 PHE 15 HE2 PHE 15 8.151 -7.704 7.768
112 HZ PHE 15 HZ PHE 15 9.429 -9.753 7.168
113 H GLY 16 H GLY 16 7.925 -5.671 4.190
114 HA2 GLY 16 HA2 GLY 16 10.161 -5.744 3.801
115 HA3 GLY 16 HA3 GLY 16 9.868 -7.179 2.826
116 H THR 17 H THR 17 8.238 -5.528 0.874
117 HA THR 17 HA THR 17 10.327 -4.970 -0.976
118 HB THR 17 HB THR 17 8.114 -5.856 -1.565
119 HG1 THR 17 HG1 THR 17 7.865 -4.599 -3.417
120 HG21 THR 17 HG21 THR 17 6.199 -4.346 -1.867
121 HG22 THR 17 HG22 THR 17 6.626 -4.565 -0.159
122 HG23 THR 17 HG23 THR 17 7.057 -3.065 -0.999
123 H LYS 18 H LYS 18 8.613 -2.818 1.156
124 HA LYS 18 HA LYS 18 8.742 -0.626 1.711
125 HB2 LYS 18 HB2 LYS 18 11.509 -0.834 0.488
126 HB3 LYS 18 HB3 LYS 18 10.959 0.467 1.539
127 HG2 LYS 18 HG2 LYS 18 10.637 -1.001 3.403
128 HG3 LYS 18 HG3 LYS 18 10.887 -2.444 2.426
129 HD2 LYS 18 HD2 LYS 18 13.050 -0.356 2.899
130 HD3 LYS 18 HD3 LYS 18 12.832 -1.816 3.880
131 HE2 LYS 18 HE2 LYS 18 13.083 -3.228 1.841
132 HE3 LYS 18 HE3 LYS 18 13.370 -1.777 0.874
133 HZ1 LYS 18 HZ1 LYS 18 15.081 -2.688 3.127
134 HZ2 LYS 18 HZ2 LYS 18 15.456 -2.815 1.545
135 HZ3 LYS 18 HZ3 LYS 18 15.347 -1.341 2.238
136 H THR 19 H THR 19 8.832 -1.255 -1.598
137 HA THR 19 HA THR 19 7.620 1.427 -2.115
138 HB THR 19 HB THR 19 9.917 1.186 -3.148
139 HG1 THR 19 HG1 THR 19 8.721 2.716 -4.015
140 HG21 THR 19 HG21 THR 19 10.134 -0.055 -5.226
141 HG22 THR 19 HG22 THR 19 9.707 -1.188 -3.930
142 HG23 THR 19 HG23 THR 19 8.471 -0.668 -5.098
143 H CYS 20 H CYS 20 6.068 1.424 -3.954
144 HA CYS 20 HA CYS 20 4.431 -1.038 -3.867
145 HB2 CYS 20 HB2 CYS 20 3.800 1.729 -4.921
146 HB3 CYS 20 HB3 CYS 20 2.692 0.357 -4.986
147 HA PRO 21 HA PRO 21 5.773 -2.126 -8.012
148 HB2 PRO 21 HB2 PRO 21 3.963 -4.097 -8.603
149 HB3 PRO 21 HB3 PRO 21 5.285 -4.318 -7.416
150 HG2 PRO 21 HG2 PRO 21 2.392 -3.630 -6.879
151 HG3 PRO 21 HG3 PRO 21 3.408 -4.832 -6.024
152 HD2 PRO 21 HD2 PRO 21 2.990 -2.350 -5.012
153 HD3 PRO 21 HD3 PRO 21 4.536 -3.217 -4.808
154 H SER 22 H SER 22 5.532 -0.437 -9.222
155 HA SER 22 HA SER 22 3.406 1.211 -9.598
156 HB2 SER 22 HB2 SER 22 5.538 0.617 -11.690
157 HB3 SER 22 HB3 SER 22 4.647 2.126 -11.451
158 HG SER 22 HG SER 22 6.737 2.215 -10.511
159 H ASN 23 H ASN 23 4.039 -1.700 -11.502
160 HA ASN 23 HA ASN 23 2.200 -1.038 -13.641
161 HB2 ASN 23 HB2 ASN 23 3.455 -3.722 -12.926
162 HB3 ASN 23 HB3 ASN 23 2.765 -3.259 -14.482
163 HD21 ASN 23 HD21 ASN 23 3.851 -1.152 -15.463
164 HD22 ASN 23 HD22 ASN 23 5.601 -1.139 -15.326
165 H ARG 24 H ARG 24 1.549 -2.069 -10.484
166 HA ARG 24 HA ARG 24 -0.759 -3.768 -11.104
167 HB2 ARG 24 HB2 ARG 24 0.890 -4.014 -9.208
168 HB3 ARG 24 HB3 ARG 24 0.066 -2.682 -8.401
169 HG2 ARG 24 HG2 ARG 24 -1.887 -3.944 -8.032
170 HG3 ARG 24 HG3 ARG 24 -1.606 -4.985 -9.443
171 HD2 ARG 24 HD2 ARG 24 0.314 -6.017 -8.321
172 HD3 ARG 24 HD3 ARG 24 -0.019 -5.062 -6.861
173 HE ARG 24 HE ARG 24 -2.389 -6.239 -7.065
174 HH11 ARG 24 HH11 ARG 24 0.638 -7.917 -7.719
175 HH12 ARG 24 HH12 ARG 24 -0.075 -9.458 -7.325
176 HH21 ARG 24 HH21 ARG 24 -3.174 -8.083 -6.641
177 HH22 ARG 24 HH22 ARG 24 -2.227 -9.575 -6.692
178 H GLY 25 H GLY 25 -0.347 -0.435 -11.016
179 HA2 GLY 25 HA2 GLY 25 -1.935 1.127 -11.685
180 HA3 GLY 25 HA3 GLY 25 -3.227 -0.040 -11.408
181 H TYR 26 H TYR 26 -0.957 0.680 -8.801
182 HA TYR 26 HA TYR 26 -3.035 1.698 -7.073
183 HB2 TYR 26 HB2 TYR 26 -0.007 1.710 -6.789
184 HB3 TYR 26 HB3 TYR 26 -1.133 2.160 -5.515
185 HD1 TYR 26 HD1 TYR 26 0.911 -0.462 -6.532
186 HD2 TYR 26 HD2 TYR 26 -3.147 0.281 -5.231
187 HE1 TYR 26 HE1 TYR 26 0.690 -2.821 -5.781
188 HE2 TYR 26 HE2 TYR 26 -3.354 -2.085 -4.523
189 HH TYR 26 HH TYR 26 -2.355 -4.150 -4.510
190 H THR 27 H THR 27 -3.505 3.764 -6.403
191 HA THR 27 HA THR 27 -2.578 5.986 -8.158
192 HB THR 27 HB THR 27 -4.508 7.213 -7.291
193 HG1 THR 27 HG1 THR 27 -5.975 6.171 -5.968
194 HG21 THR 27 HG21 THR 27 -4.794 5.754 -9.293
195 HG22 THR 27 HG22 THR 27 -5.333 4.430 -8.235
196 HG23 THR 27 HG23 THR 27 -6.283 5.927 -8.348
197 H GLY 28 H GLY 28 -2.072 4.786 -4.967
198 HA2 GLY 28 HA2 GLY 28 -0.084 6.788 -4.443
199 HA3 GLY 28 HA3 GLY 28 -1.510 7.082 -3.454
200 H SER 29 H SER 29 0.576 6.692 -2.012
201 HA SER 29 HA SER 29 0.352 4.038 -0.785
202 HB2 SER 29 HB2 SER 29 2.682 3.470 -1.023
203 HB3 SER 29 HB3 SER 29 1.954 3.694 -2.625
204 HG SER 29 HG SER 29 2.946 5.713 -2.771
205 H CYS 30 H CYS 30 1.650 3.791 1.171
206 HA CYS 30 HA CYS 30 3.069 6.082 2.228
207 HB2 CYS 30 HB2 CYS 30 1.753 6.427 4.226
208 HB3 CYS 30 HB3 CYS 30 0.700 6.625 2.824
209 H GLY 31 H GLY 31 4.584 5.526 3.824
210 HA2 GLY 31 HA2 GLY 31 5.394 2.794 3.991
211 HA3 GLY 31 HA3 GLY 31 5.982 4.103 5.019
212 H TYR 32 H TYR 32 5.030 1.182 5.515
213 HA TYR 32 HA TYR 32 3.088 1.730 7.718
214 HB2 TYR 32 HB2 TYR 32 2.377 0.649 5.322
215 HB3 TYR 32 HB3 TYR 32 2.866 -0.806 6.154
216 HD1 TYR 32 HD1 TYR 32 1.141 -1.913 7.406
217 HD2 TYR 32 HD2 TYR 32 0.841 2.326 6.633
218 HE1 TYR 32 HE1 TYR 32 -1.174 -1.897 8.337
219 HE2 TYR 32 HE2 TYR 32 -1.441 2.345 7.613
220 HH TYR 32 HH TYR 32 -3.076 1.121 8.662
221 H PHE 33 H PHE 33 2.924 -0.421 9.141
222 HA PHE 33 HA PHE 33 5.463 -0.696 10.377
223 HB2 PHE 33 HB2 PHE 33 3.253 -1.068 11.465
224 HB3 PHE 33 HB3 PHE 33 3.105 -2.577 10.552
225 HD1 PHE 33 HD1 PHE 33 5.664 -0.877 12.767
226 HD2 PHE 33 HD2 PHE 33 3.580 -4.522 11.769
227 HE1 PHE 33 HE1 PHE 33 6.874 -2.069 14.578
228 HE2 PHE 33 HE2 PHE 33 4.778 -5.703 13.595
229 HZ PHE 33 HZ PHE 33 6.433 -4.481 14.995
230 H LEU 34 H LEU 34 7.194 -1.839 9.860
231 HA LEU 34 HA LEU 34 8.650 -3.158 8.824
232 HB2 LEU 34 HB2 LEU 34 6.537 -5.313 8.954
233 HB3 LEU 34 HB3 LEU 34 8.279 -5.546 8.858
234 HG LEU 34 HG LEU 34 6.825 -4.282 11.220
235 HD11 LEU 34 HD11 LEU 34 6.297 -6.632 10.889
236 HD12 LEU 34 HD12 LEU 34 8.029 -7.037 10.821
237 HD13 LEU 34 HD13 LEU 34 7.311 -6.408 12.330
238 HD21 LEU 34 HD21 LEU 34 9.132 -3.457 11.073
239 HD22 LEU 34 HD22 LEU 34 8.963 -4.595 12.411
240 HD23 LEU 34 HD23 LEU 34 9.736 -5.122 10.897
241 H GLY 35 H GLY 35 6.350 -1.984 7.054
242 HA2 GLY 35 HA2 GLY 35 7.399 -2.857 4.445
243 HA3 GLY 35 HA3 GLY 35 5.799 -3.487 4.832
244 H ILE 36 H ILE 36 4.606 -2.422 3.341
245 HA ILE 36 HA ILE 36 4.264 0.501 3.570
246 HB ILE 36 HB ILE 36 5.997 0.508 2.028
247 HG12 ILE 36 HG12 ILE 36 3.537 0.508 0.248
248 HG13 ILE 36 HG13 ILE 36 3.881 1.764 1.414
249 HG21 ILE 36 HG21 ILE 36 6.165 -0.867 -0.010
250 HG22 ILE 36 HG22 ILE 36 6.092 -1.910 1.402
251 HG23 ILE 36 HG23 ILE 36 4.649 -1.670 0.395
252 HD11 ILE 36 HD11 ILE 36 5.505 1.040 -1.019
253 HD12 ILE 36 HD12 ILE 36 4.662 2.561 -0.682
254 HD13 ILE 36 HD13 ILE 36 6.106 2.145 0.253
255 H CYS 37 H CYS 37 2.373 1.285 2.856
256 HA CYS 37 HA CYS 37 0.160 -0.613 2.242
257 HB2 CYS 37 HB2 CYS 37 -0.070 0.768 4.237
258 HB3 CYS 37 HB3 CYS 37 0.386 2.201 3.342
259 H CYS 38 H CYS 38 -0.634 -0.591 0.206
260 HA CYS 38 HA CYS 38 -0.052 1.690 -1.653
261 HB2 CYS 38 HB2 CYS 38 -0.206 -1.254 -2.310
262 HB3 CYS 38 HB3 CYS 38 0.150 0.035 -3.441
263 H TYR 39 H TYR 39 -1.882 2.485 -2.671
264 HA TYR 39 HA TYR 39 -4.436 1.013 -2.278
265 HB2 TYR 39 HB2 TYR 39 -5.507 3.159 -1.568
266 HB3 TYR 39 HB3 TYR 39 -4.456 2.377 -0.425
267 HD1 TYR 39 HD1 TYR 39 -2.617 3.475 0.562
268 HD2 TYR 39 HD2 TYR 39 -4.707 5.265 -2.763
269 HE1 TYR 39 HE1 TYR 39 -1.517 5.653 1.048
270 HE2 TYR 39 HE2 TYR 39 -3.630 7.454 -2.252
271 HH TYR 39 HH TYR 39 -1.286 7.857 0.426
272 HA PRO 40 HA PRO 40 -6.865 1.809 -2.626
273 HB2 PRO 40 HB2 PRO 40 -8.655 0.705 -4.343
274 HB3 PRO 40 HB3 PRO 40 -8.428 2.472 -4.180
275 HG2 PRO 40 HG2 PRO 40 -7.166 0.621 -6.240
276 HG3 PRO 40 HG3 PRO 40 -8.072 2.143 -6.537
277 HD2 PRO 40 HD2 PRO 40 -5.364 2.127 -6.420
278 HD3 PRO 40 HD3 PRO 40 -6.304 3.467 -5.703
279 H VAL 41 H VAL 41 -7.826 -0.216 -1.930
280 HA VAL 41 HA VAL 41 -6.078 -2.423 -1.770
281 HB VAL 41 HB VAL 41 -7.790 -1.726 -0.113
282 HG11 VAL 41 HG11 VAL 41 -10.102 -2.384 -0.278
283 HG12 VAL 41 HG12 VAL 41 -9.713 -1.327 -1.641
284 HG13 VAL 41 HG13 VAL 41 -9.848 -3.081 -1.889
285 HG21 VAL 41 HG21 VAL 41 -8.481 -3.961 0.605
286 HG22 VAL 41 HG22 VAL 41 -7.995 -4.634 -0.962
287 HG23 VAL 41 HG23 VAL 41 -6.787 -3.903 0.131
288 H ASP 42 H ASP 42 -6.036 -4.431 -2.704
289 HA ASP 42 HA ASP 42 -7.480 -4.787 -5.297
290 HB2 ASP 42 HB2 ASP 42 -5.248 -3.894 -5.652
291 HB3 ASP 42 HB3 ASP 42 -4.540 -5.155 -4.648
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -5.747 -11.321 0.689
2 H2 GLY 1 H2 GLY 1 -4.726 -12.306 1.504
3 H3 GLY 1 H3 GLY 1 -4.449 -11.968 -0.075
4 HA2 GLY 1 HA2 GLY 1 -2.925 -10.721 1.300
5 HA3 GLY 1 HA3 GLY 1 -4.033 -9.652 0.422
6 H THR 2 H THR 2 -3.096 -8.311 2.317
7 HA THR 2 HA THR 2 -4.962 -8.392 4.663
8 HB THR 2 HB THR 2 -1.981 -7.783 4.738
9 HG1 THR 2 HG1 THR 2 -1.859 -9.713 5.881
10 HG21 THR 2 HG21 THR 2 -3.166 -6.535 6.488
11 HG22 THR 2 HG22 THR 2 -4.052 -8.001 6.973
12 HG23 THR 2 HG23 THR 2 -2.293 -7.884 7.213
13 H THR 3 H THR 3 -5.828 -6.406 5.246
14 HA THR 3 HA THR 3 -5.545 -4.230 3.390
15 HB THR 3 HB THR 3 -7.055 -3.168 5.412
16 HG1 THR 3 HG1 THR 3 -7.093 -4.903 6.757
17 HG21 THR 3 HG21 THR 3 -7.713 -3.290 3.142
18 HG22 THR 3 HG22 THR 3 -7.848 -5.068 3.189
19 HG23 THR 3 HG23 THR 3 -8.988 -4.060 4.114
20 H CYS 4 H CYS 4 -5.166 -2.104 3.798
21 HA CYS 4 HA CYS 4 -3.707 -1.350 6.247
22 HB2 CYS 4 HB2 CYS 4 -1.922 -0.314 5.099
23 HB3 CYS 4 HB3 CYS 4 -2.084 -1.922 4.423
24 H TYR 5 H TYR 5 -3.595 1.091 6.545
25 HA TYR 5 HA TYR 5 -5.749 2.569 5.089
26 HB2 TYR 5 HB2 TYR 5 -5.429 2.420 8.109
27 HB3 TYR 5 HB3 TYR 5 -6.514 3.499 7.254
28 HD1 TYR 5 HD1 TYR 5 -5.871 -0.039 8.177
29 HD2 TYR 5 HD2 TYR 5 -8.638 2.739 6.370
30 HE1 TYR 5 HE1 TYR 5 -7.673 -1.763 8.276
31 HE2 TYR 5 HE2 TYR 5 -10.442 1.032 6.510
32 HH TYR 5 HH TYR 5 -11.009 -1.099 7.148
33 H CYS 6 H CYS 6 -5.168 4.564 4.459
34 HA CYS 6 HA CYS 6 -3.232 6.108 6.136
35 HB2 CYS 6 HB2 CYS 6 -3.033 5.539 3.172
36 HB3 CYS 6 HB3 CYS 6 -2.287 6.969 3.874
37 H GLY 7 H GLY 7 -4.166 8.009 6.730
38 HA2 GLY 7 HA2 GLY 7 -5.619 9.806 6.759
39 HA3 GLY 7 HA3 GLY 7 -5.437 9.863 5.001
40 H LYS 8 H LYS 8 -6.814 7.184 6.829
41 HA LYS 8 HA LYS 8 -8.643 5.937 6.613
42 HB2 LYS 8 HB2 LYS 8 -9.587 8.221 7.542
43 HB3 LYS 8 HB3 LYS 8 -10.449 8.247 6.000
44 HG2 LYS 8 HG2 LYS 8 -11.377 5.954 6.561
45 HG3 LYS 8 HG3 LYS 8 -10.473 5.998 8.074
46 HD2 LYS 8 HD2 LYS 8 -12.743 6.549 8.559
47 HD3 LYS 8 HD3 LYS 8 -11.782 8.021 8.767
48 HE2 LYS 8 HE2 LYS 8 -12.506 8.816 6.529
49 HE3 LYS 8 HE3 LYS 8 -13.400 7.311 6.273
50 HZ1 LYS 8 HZ1 LYS 8 -14.864 9.089 7.040
51 HZ2 LYS 8 HZ2 LYS 8 -14.817 7.910 8.165
52 HZ3 LYS 8 HZ3 LYS 8 -13.993 9.300 8.402
53 H THR 9 H THR 9 -7.162 6.827 4.055
54 HA THR 9 HA THR 9 -9.031 5.714 2.032
55 HB THR 9 HB THR 9 -6.178 6.726 1.678
56 HG1 THR 9 HG1 THR 9 -8.674 7.887 0.951
57 HG21 THR 9 HG21 THR 9 -6.748 6.680 -0.728
58 HG22 THR 9 HG22 THR 9 -6.773 5.064 -0.018
59 HG23 THR 9 HG23 THR 9 -8.304 5.905 -0.348
60 H ILE 10 H ILE 10 -9.211 3.638 2.325
61 HA ILE 10 HA ILE 10 -7.210 1.963 3.550
62 HB ILE 10 HB ILE 10 -9.619 1.711 3.907
63 HG12 ILE 10 HG12 ILE 10 -8.376 -0.767 2.638
64 HG13 ILE 10 HG13 ILE 10 -8.218 -0.231 4.317
65 HG21 ILE 10 HG21 ILE 10 -9.784 0.750 1.032
66 HG22 ILE 10 HG22 ILE 10 -11.127 0.918 2.191
67 HG23 ILE 10 HG23 ILE 10 -10.301 2.355 1.594
68 HD11 ILE 10 HD11 ILE 10 -10.710 -1.276 2.939
69 HD12 ILE 10 HD12 ILE 10 -9.852 -1.944 4.336
70 HD13 ILE 10 HD13 ILE 10 -10.759 -0.435 4.506
71 H GLY 11 H GLY 11 -5.974 0.329 2.639
72 HA2 GLY 11 HA2 GLY 11 -5.929 -0.057 -0.310
73 HA3 GLY 11 HA3 GLY 11 -4.471 0.464 0.525
74 H ILE 12 H ILE 12 -3.760 -1.474 -0.537
75 HA ILE 12 HA ILE 12 -4.105 -3.981 1.000
76 HB ILE 12 HB ILE 12 -3.768 -3.359 -1.797
77 HG12 ILE 12 HG12 ILE 12 -5.281 -5.006 -0.986
78 HG13 ILE 12 HG13 ILE 12 -4.175 -5.668 -2.183
79 HG21 ILE 12 HG21 ILE 12 -1.374 -4.905 -0.787
80 HG22 ILE 12 HG22 ILE 12 -1.951 -4.870 -2.452
81 HG23 ILE 12 HG23 ILE 12 -1.434 -3.359 -1.680
82 HD11 ILE 12 HD11 ILE 12 -4.498 -7.336 -0.505
83 HD12 ILE 12 HD12 ILE 12 -2.842 -6.730 -0.324
84 HD13 ILE 12 HD13 ILE 12 -4.127 -6.204 0.792
85 H TYR 13 H TYR 13 -2.403 -4.877 2.054
86 HA TYR 13 HA TYR 13 -0.074 -3.103 2.620
87 HB2 TYR 13 HB2 TYR 13 -1.275 -3.928 4.558
88 HB3 TYR 13 HB3 TYR 13 -1.116 -5.583 4.001
89 HD1 TYR 13 HD1 TYR 13 1.052 -2.610 4.843
90 HD2 TYR 13 HD2 TYR 13 0.620 -6.906 4.820
91 HE1 TYR 13 HE1 TYR 13 3.189 -2.835 6.111
92 HE2 TYR 13 HE2 TYR 13 2.747 -7.122 6.100
93 HH TYR 13 HH TYR 13 4.464 -4.277 7.351
94 H TRP 14 H TRP 14 1.877 -3.442 1.875
95 HA TRP 14 HA TRP 14 2.681 -6.114 0.792
96 HB2 TRP 14 HB2 TRP 14 3.376 -3.298 -0.063
97 HB3 TRP 14 HB3 TRP 14 4.331 -4.707 -0.518
98 HD1 TRP 14 HD1 TRP 14 1.164 -2.882 -1.377
99 HE1 TRP 14 HE1 TRP 14 0.060 -3.973 -3.450
100 HE3 TRP 14 HE3 TRP 14 4.079 -7.080 -1.753
101 HZ2 TRP 14 HZ2 TRP 14 0.348 -6.379 -4.977
102 HZ3 TRP 14 HZ3 TRP 14 3.633 -8.765 -3.525
103 HH2 TRP 14 HH2 TRP 14 1.769 -8.436 -5.130
104 H PHE 15 H PHE 15 4.383 -7.082 1.679
105 HA PHE 15 HA PHE 15 5.875 -5.720 3.873
106 HB2 PHE 15 HB2 PHE 15 4.559 -7.635 4.552
107 HB3 PHE 15 HB3 PHE 15 5.281 -8.636 3.301
108 HD1 PHE 15 HD1 PHE 15 7.032 -10.070 3.922
109 HD2 PHE 15 HD2 PHE 15 6.338 -6.495 6.233
110 HE1 PHE 15 HE1 PHE 15 8.815 -10.749 5.513
111 HE2 PHE 15 HE2 PHE 15 8.130 -7.172 7.813
112 HZ PHE 15 HZ PHE 15 9.368 -9.300 7.459
113 H GLY 16 H GLY 16 8.094 -5.792 3.999
114 HA2 GLY 16 HA2 GLY 16 10.292 -6.091 3.478
115 HA3 GLY 16 HA3 GLY 16 9.804 -7.424 2.438
116 H THR 17 H THR 17 8.228 -5.594 0.657
117 HA THR 17 HA THR 17 10.249 -5.001 -1.256
118 HB THR 17 HB THR 17 8.016 -5.668 -1.882
119 HG1 THR 17 HG1 THR 17 7.732 -3.277 -3.005
120 HG21 THR 17 HG21 THR 17 6.626 -4.587 -0.187
121 HG22 THR 17 HG22 THR 17 7.029 -2.987 -0.835
122 HG23 THR 17 HG23 THR 17 6.102 -4.133 -1.816
123 H LYS 18 H LYS 18 8.750 -2.906 1.107
124 HA LYS 18 HA LYS 18 8.888 -0.733 1.704
125 HB2 LYS 18 HB2 LYS 18 11.634 -0.801 0.422
126 HB3 LYS 18 HB3 LYS 18 11.044 0.401 1.570
127 HG2 LYS 18 HG2 LYS 18 10.710 -1.384 3.274
128 HG3 LYS 18 HG3 LYS 18 11.395 -2.571 2.158
129 HD2 LYS 18 HD2 LYS 18 12.863 -0.122 3.226
130 HD3 LYS 18 HD3 LYS 18 13.017 -1.770 3.855
131 HE2 LYS 18 HE2 LYS 18 13.822 -2.546 1.629
132 HE3 LYS 18 HE3 LYS 18 13.719 -0.888 1.019
133 HZ1 LYS 18 HZ1 LYS 18 15.371 -0.239 2.690
134 HZ2 LYS 18 HZ2 LYS 18 15.472 -1.774 3.247
135 HZ3 LYS 18 HZ3 LYS 18 15.974 -1.419 1.738
136 H THR 19 H THR 19 9.048 -1.274 -1.665
137 HA THR 19 HA THR 19 7.814 1.409 -2.134
138 HB THR 19 HB THR 19 10.131 1.100 -3.154
139 HG1 THR 19 HG1 THR 19 8.987 2.699 -3.979
140 HG21 THR 19 HG21 THR 19 10.288 -0.099 -5.265
141 HG22 THR 19 HG22 THR 19 9.817 -1.243 -3.995
142 HG23 THR 19 HG23 THR 19 8.601 -0.641 -5.145
143 H CYS 20 H CYS 20 6.309 1.447 -4.004
144 HA CYS 20 HA CYS 20 4.554 -0.919 -3.856
145 HB2 CYS 20 HB2 CYS 20 3.855 1.654 -3.636
146 HB3 CYS 20 HB3 CYS 20 3.802 1.555 -5.383
147 HA PRO 21 HA PRO 21 5.782 -2.186 -7.993
148 HB2 PRO 21 HB2 PRO 21 3.928 -4.120 -8.500
149 HB3 PRO 21 HB3 PRO 21 5.270 -4.319 -7.334
150 HG2 PRO 21 HG2 PRO 21 2.398 -3.568 -6.762
151 HG3 PRO 21 HG3 PRO 21 3.407 -4.770 -5.903
152 HD2 PRO 21 HD2 PRO 21 3.057 -2.259 -4.944
153 HD3 PRO 21 HD3 PRO 21 4.584 -3.147 -4.737
154 H SER 22 H SER 22 5.464 -0.392 -9.190
155 HA SER 22 HA SER 22 3.148 1.103 -9.531
156 HB2 SER 22 HB2 SER 22 5.493 1.798 -10.019
157 HB3 SER 22 HB3 SER 22 5.443 0.845 -11.514
158 HG SER 22 HG SER 22 4.943 3.082 -11.836
159 H ASN 23 H ASN 23 4.189 -1.636 -11.514
160 HA ASN 23 HA ASN 23 2.333 -1.313 -13.669
161 HB2 ASN 23 HB2 ASN 23 3.777 -3.784 -12.610
162 HB3 ASN 23 HB3 ASN 23 2.923 -3.701 -14.147
163 HD21 ASN 23 HD21 ASN 23 5.978 -3.303 -12.729
164 HD22 ASN 23 HD22 ASN 23 6.699 -2.393 -14.047
165 H ARG 24 H ARG 24 1.629 -2.199 -10.429
166 HA ARG 24 HA ARG 24 -0.676 -3.902 -11.065
167 HB2 ARG 24 HB2 ARG 24 0.915 -4.110 -9.107
168 HB3 ARG 24 HB3 ARG 24 0.069 -2.754 -8.366
169 HG2 ARG 24 HG2 ARG 24 -1.897 -3.997 -8.028
170 HG3 ARG 24 HG3 ARG 24 -1.583 -5.069 -9.409
171 HD2 ARG 24 HD2 ARG 24 0.293 -6.096 -8.208
172 HD3 ARG 24 HD3 ARG 24 -0.076 -5.107 -6.779
173 HE ARG 24 HE ARG 24 -2.450 -6.268 -7.035
174 HH11 ARG 24 HH11 ARG 24 0.581 -7.988 -7.564
175 HH12 ARG 24 HH12 ARG 24 -0.159 -9.513 -7.160
176 HH21 ARG 24 HH21 ARG 24 -3.264 -8.098 -6.597
177 HH22 ARG 24 HH22 ARG 24 -2.328 -9.597 -6.585
178 H GLY 25 H GLY 25 -0.205 -0.578 -11.080
179 HA2 GLY 25 HA2 GLY 25 -1.735 0.985 -11.851
180 HA3 GLY 25 HA3 GLY 25 -3.051 -0.165 -11.618
181 H TYR 26 H TYR 26 -0.907 0.631 -8.928
182 HA TYR 26 HA TYR 26 -3.074 1.623 -7.308
183 HB2 TYR 26 HB2 TYR 26 -0.060 1.698 -6.908
184 HB3 TYR 26 HB3 TYR 26 -1.236 2.149 -5.678
185 HD1 TYR 26 HD1 TYR 26 0.928 -0.399 -6.437
186 HD2 TYR 26 HD2 TYR 26 -3.252 0.237 -5.498
187 HE1 TYR 26 HE1 TYR 26 0.699 -2.761 -5.675
188 HE2 TYR 26 HE2 TYR 26 -3.444 -2.109 -4.724
189 HH TYR 26 HH TYR 26 -2.387 -4.135 -4.548
190 H THR 27 H THR 27 -3.536 3.673 -6.556
191 HA THR 27 HA THR 27 -2.667 5.905 -8.329
192 HB THR 27 HB THR 27 -5.096 5.342 -7.955
193 HG1 THR 27 HG1 THR 27 -5.640 7.504 -7.981
194 HG21 THR 27 HG21 THR 27 -4.722 6.843 -5.327
195 HG22 THR 27 HG22 THR 27 -6.239 6.241 -6.026
196 HG23 THR 27 HG23 THR 27 -5.017 5.098 -5.456
197 H GLY 28 H GLY 28 -2.045 4.693 -5.170
198 HA2 GLY 28 HA2 GLY 28 0.082 6.552 -4.788
199 HA3 GLY 28 HA3 GLY 28 -1.251 6.978 -3.719
200 H SER 29 H SER 29 1.109 6.334 -2.621
201 HA SER 29 HA SER 29 0.455 3.974 -1.035
202 HB2 SER 29 HB2 SER 29 2.645 2.897 -1.325
203 HB3 SER 29 HB3 SER 29 1.705 2.926 -2.813
204 HG SER 29 HG SER 29 3.857 4.697 -2.157
205 H CYS 30 H CYS 30 1.728 3.735 0.870
206 HA CYS 30 HA CYS 30 3.194 6.095 1.907
207 HB2 CYS 30 HB2 CYS 30 1.515 6.081 3.856
208 HB3 CYS 30 HB3 CYS 30 0.949 6.788 2.340
209 H GLY 31 H GLY 31 4.584 5.591 3.605
210 HA2 GLY 31 HA2 GLY 31 5.326 2.864 3.998
211 HA3 GLY 31 HA3 GLY 31 5.865 4.219 4.990
212 H TYR 32 H TYR 32 4.791 1.340 5.530
213 HA TYR 32 HA TYR 32 2.723 2.032 7.580
214 HB2 TYR 32 HB2 TYR 32 2.055 0.884 5.318
215 HB3 TYR 32 HB3 TYR 32 2.752 -0.558 6.025
216 HD1 TYR 32 HD1 TYR 32 1.302 -1.913 7.414
217 HD2 TYR 32 HD2 TYR 32 0.314 2.220 6.662
218 HE1 TYR 32 HE1 TYR 32 -0.938 -2.267 8.426
219 HE2 TYR 32 HE2 TYR 32 -1.906 1.873 7.733
220 HH TYR 32 HH TYR 32 -2.953 -1.307 8.992
221 H PHE 33 H PHE 33 2.468 -0.050 9.107
222 HA PHE 33 HA PHE 33 4.930 -0.297 10.540
223 HB2 PHE 33 HB2 PHE 33 2.628 -0.552 11.491
224 HB3 PHE 33 HB3 PHE 33 2.506 -2.106 10.657
225 HD1 PHE 33 HD1 PHE 33 4.974 -0.328 12.919
226 HD2 PHE 33 HD2 PHE 33 2.841 -3.976 12.032
227 HE1 PHE 33 HE1 PHE 33 6.037 -1.429 14.873
228 HE2 PHE 33 HE2 PHE 33 3.895 -5.064 14.001
229 HZ PHE 33 HZ PHE 33 5.500 -3.796 15.418
230 H LEU 34 H LEU 34 6.627 -1.557 10.233
231 HA LEU 34 HA LEU 34 8.110 -2.967 9.370
232 HB2 LEU 34 HB2 LEU 34 5.865 -4.990 9.286
233 HB3 LEU 34 HB3 LEU 34 7.586 -5.339 9.340
234 HG LEU 34 HG LEU 34 6.027 -3.973 11.573
235 HD11 LEU 34 HD11 LEU 34 7.049 -6.818 11.286
236 HD12 LEU 34 HD12 LEU 34 6.256 -6.124 12.725
237 HD13 LEU 34 HD13 LEU 34 5.352 -6.289 11.207
238 HD21 LEU 34 HD21 LEU 34 8.396 -3.331 11.630
239 HD22 LEU 34 HD22 LEU 34 8.022 -4.449 12.945
240 HD23 LEU 34 HD23 LEU 34 8.879 -5.041 11.501
241 H GLY 35 H GLY 35 5.927 -1.794 7.305
242 HA2 GLY 35 HA2 GLY 35 7.302 -2.677 4.860
243 HA3 GLY 35 HA3 GLY 35 5.696 -3.368 5.073
244 H ILE 36 H ILE 36 4.594 -2.372 3.458
245 HA ILE 36 HA ILE 36 4.215 0.566 3.569
246 HB ILE 36 HB ILE 36 5.979 0.534 2.083
247 HG12 ILE 36 HG12 ILE 36 3.572 0.380 0.226
248 HG13 ILE 36 HG13 ILE 36 3.876 1.719 1.311
249 HG21 ILE 36 HG21 ILE 36 4.764 -1.809 0.592
250 HG22 ILE 36 HG22 ILE 36 6.234 -0.946 0.123
251 HG23 ILE 36 HG23 ILE 36 6.210 -1.870 1.619
252 HD11 ILE 36 HD11 ILE 36 6.090 2.097 0.178
253 HD12 ILE 36 HD12 ILE 36 5.601 0.867 -1.020
254 HD13 ILE 36 HD13 ILE 36 4.668 2.353 -0.845
255 H CYS 37 H CYS 37 2.335 1.321 2.854
256 HA CYS 37 HA CYS 37 0.126 -0.595 2.272
257 HB2 CYS 37 HB2 CYS 37 -0.115 0.728 4.270
258 HB3 CYS 37 HB3 CYS 37 0.317 2.200 3.434
259 H CYS 38 H CYS 38 -0.764 -0.539 0.280
260 HA CYS 38 HA CYS 38 -0.226 1.718 -1.620
261 HB2 CYS 38 HB2 CYS 38 -0.279 -1.277 -2.089
262 HB3 CYS 38 HB3 CYS 38 -0.288 -0.070 -3.363
263 H TYR 39 H TYR 39 -2.038 2.463 -2.746
264 HA TYR 39 HA TYR 39 -4.601 1.032 -2.305
265 HB2 TYR 39 HB2 TYR 39 -5.691 3.193 -1.691
266 HB3 TYR 39 HB3 TYR 39 -4.616 2.491 -0.512
267 HD1 TYR 39 HD1 TYR 39 -2.847 3.721 0.434
268 HD2 TYR 39 HD2 TYR 39 -4.856 5.181 -3.093
269 HE1 TYR 39 HE1 TYR 39 -1.675 5.912 0.667
270 HE2 TYR 39 HE2 TYR 39 -3.677 7.365 -2.861
271 HH TYR 39 HH TYR 39 -1.356 8.008 -0.209
272 HA PRO 40 HA PRO 40 -7.011 1.780 -2.753
273 HB2 PRO 40 HB2 PRO 40 -8.751 0.583 -4.459
274 HB3 PRO 40 HB3 PRO 40 -8.548 2.359 -4.373
275 HG2 PRO 40 HG2 PRO 40 -7.220 0.429 -6.319
276 HG3 PRO 40 HG3 PRO 40 -8.137 1.924 -6.705
277 HD2 PRO 40 HD2 PRO 40 -5.430 1.941 -6.526
278 HD3 PRO 40 HD3 PRO 40 -6.400 3.308 -5.903
279 H VAL 41 H VAL 41 -7.964 -0.236 -2.008
280 HA VAL 41 HA VAL 41 -6.170 -2.426 -1.779
281 HB VAL 41 HB VAL 41 -7.879 -1.728 -0.122
282 HG11 VAL 41 HG11 VAL 41 -10.183 -2.419 -0.264
283 HG12 VAL 41 HG12 VAL 41 -9.817 -1.379 -1.646
284 HG13 VAL 41 HG13 VAL 41 -9.929 -3.140 -1.863
285 HG21 VAL 41 HG21 VAL 41 -8.534 -3.969 0.625
286 HG22 VAL 41 HG22 VAL 41 -8.044 -4.648 -0.938
287 HG23 VAL 41 HG23 VAL 41 -6.842 -3.890 0.142
288 H ASP 42 H ASP 42 -6.057 -4.404 -2.739
289 HA ASP 42 HA ASP 42 -7.548 -4.814 -5.297
290 HB2 ASP 42 HB2 ASP 42 -5.333 -3.890 -5.682
291 HB3 ASP 42 HB3 ASP 42 -4.595 -5.134 -4.682
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -4.855 -11.476 -0.287
2 H2 GLY 1 H2 GLY 1 -5.919 -10.315 0.170
3 H3 GLY 1 H3 GLY 1 -5.511 -11.511 1.214
4 HA2 GLY 1 HA2 GLY 1 -3.244 -10.727 1.340
5 HA3 GLY 1 HA3 GLY 1 -3.666 -9.447 0.189
6 H THR 2 H THR 2 -2.640 -9.247 2.962
7 HA THR 2 HA THR 2 -4.704 -8.442 4.775
8 HB THR 2 HB THR 2 -1.785 -7.593 4.770
9 HG1 THR 2 HG1 THR 2 -2.971 -9.912 5.895
10 HG21 THR 2 HG21 THR 2 -3.795 -7.952 7.039
11 HG22 THR 2 HG22 THR 2 -2.048 -7.676 7.249
12 HG23 THR 2 HG23 THR 2 -3.049 -6.430 6.502
13 H THR 3 H THR 3 -5.635 -6.450 5.242
14 HA THR 3 HA THR 3 -5.463 -4.333 3.283
15 HB THR 3 HB THR 3 -6.955 -3.281 5.330
16 HG1 THR 3 HG1 THR 3 -8.193 -4.961 6.172
17 HG21 THR 3 HG21 THR 3 -8.906 -4.217 4.095
18 HG22 THR 3 HG22 THR 3 -7.673 -3.457 3.069
19 HG23 THR 3 HG23 THR 3 -7.781 -5.236 3.162
20 H CYS 4 H CYS 4 -5.179 -2.149 3.724
21 HA CYS 4 HA CYS 4 -3.723 -1.384 6.157
22 HB2 CYS 4 HB2 CYS 4 -1.952 -0.292 5.045
23 HB3 CYS 4 HB3 CYS 4 -2.054 -1.889 4.343
24 H TYR 5 H TYR 5 -3.721 1.029 6.527
25 HA TYR 5 HA TYR 5 -5.867 2.476 5.026
26 HB2 TYR 5 HB2 TYR 5 -5.643 2.255 8.050
27 HB3 TYR 5 HB3 TYR 5 -6.707 3.354 7.192
28 HD1 TYR 5 HD1 TYR 5 -6.075 -0.212 8.017
29 HD2 TYR 5 HD2 TYR 5 -8.795 2.616 6.220
30 HE1 TYR 5 HE1 TYR 5 -7.872 -1.943 8.007
31 HE2 TYR 5 HE2 TYR 5 -10.597 0.901 6.252
32 HH TYR 5 HH TYR 5 -11.177 -1.248 6.809
33 H CYS 6 H CYS 6 -5.328 4.495 4.454
34 HA CYS 6 HA CYS 6 -3.662 6.116 6.299
35 HB2 CYS 6 HB2 CYS 6 -2.707 5.112 3.680
36 HB3 CYS 6 HB3 CYS 6 -2.527 6.846 3.880
37 H GLY 7 H GLY 7 -4.366 8.184 6.469
38 HA2 GLY 7 HA2 GLY 7 -5.678 10.053 6.137
39 HA3 GLY 7 HA3 GLY 7 -5.331 9.848 4.416
40 H LYS 8 H LYS 8 -7.172 7.640 6.496
41 HA LYS 8 HA LYS 8 -9.121 6.531 6.214
42 HB2 LYS 8 HB2 LYS 8 -10.212 9.237 5.395
43 HB3 LYS 8 HB3 LYS 8 -11.177 7.823 5.834
44 HG2 LYS 8 HG2 LYS 8 -10.080 7.781 8.080
45 HG3 LYS 8 HG3 LYS 8 -9.229 9.284 7.668
46 HD2 LYS 8 HD2 LYS 8 -11.395 10.442 7.373
47 HD3 LYS 8 HD3 LYS 8 -12.259 8.935 7.757
48 HE2 LYS 8 HE2 LYS 8 -11.159 8.886 9.992
49 HE3 LYS 8 HE3 LYS 8 -10.326 10.399 9.614
50 HZ1 LYS 8 HZ1 LYS 8 -12.340 10.794 10.914
51 HZ2 LYS 8 HZ2 LYS 8 -12.510 11.476 9.442
52 HZ3 LYS 8 HZ3 LYS 8 -13.278 10.075 9.790
53 H THR 9 H THR 9 -7.301 6.733 3.876
54 HA THR 9 HA THR 9 -9.103 5.603 1.784
55 HB THR 9 HB THR 9 -6.212 6.517 1.467
56 HG1 THR 9 HG1 THR 9 -7.649 8.255 1.734
57 HG21 THR 9 HG21 THR 9 -8.322 5.610 -0.547
58 HG22 THR 9 HG22 THR 9 -6.730 6.293 -0.949
59 HG23 THR 9 HG23 THR 9 -6.834 4.739 -0.113
60 H ILE 10 H ILE 10 -9.290 3.520 2.110
61 HA ILE 10 HA ILE 10 -7.316 1.868 3.464
62 HB ILE 10 HB ILE 10 -9.733 1.547 3.702
63 HG12 ILE 10 HG12 ILE 10 -8.356 -0.866 2.446
64 HG13 ILE 10 HG13 ILE 10 -8.285 -0.356 4.138
65 HG21 ILE 10 HG21 ILE 10 -11.137 0.748 1.905
66 HG22 ILE 10 HG22 ILE 10 -10.326 2.217 1.373
67 HG23 ILE 10 HG23 ILE 10 -9.738 0.641 0.806
68 HD11 ILE 10 HD11 ILE 10 -9.863 -2.130 4.042
69 HD12 ILE 10 HD12 ILE 10 -10.818 -0.652 4.229
70 HD13 ILE 10 HD13 ILE 10 -10.693 -1.442 2.639
71 H GLY 11 H GLY 11 -6.008 0.286 2.581
72 HA2 GLY 11 HA2 GLY 11 -5.770 0.021 -0.374
73 HA3 GLY 11 HA3 GLY 11 -4.372 0.490 0.581
74 H ILE 12 H ILE 12 -3.662 -1.411 -0.570
75 HA ILE 12 HA ILE 12 -4.050 -3.945 0.917
76 HB ILE 12 HB ILE 12 -3.739 -3.290 -1.870
77 HG12 ILE 12 HG12 ILE 12 -5.274 -4.910 -1.055
78 HG13 ILE 12 HG13 ILE 12 -4.193 -5.587 -2.269
79 HG21 ILE 12 HG21 ILE 12 -1.971 -4.846 -2.546
80 HG22 ILE 12 HG22 ILE 12 -1.418 -3.329 -1.800
81 HG23 ILE 12 HG23 ILE 12 -1.357 -4.870 -0.895
82 HD11 ILE 12 HD11 ILE 12 -2.862 -6.672 -0.404
83 HD12 ILE 12 HD12 ILE 12 -4.165 -6.154 0.696
84 HD13 ILE 12 HD13 ILE 12 -4.520 -7.267 -0.621
85 H TYR 13 H TYR 13 -2.357 -4.857 1.961
86 HA TYR 13 HA TYR 13 -0.023 -3.085 2.538
87 HB2 TYR 13 HB2 TYR 13 -1.193 -3.887 4.486
88 HB3 TYR 13 HB3 TYR 13 -1.103 -5.544 3.918
89 HD1 TYR 13 HD1 TYR 13 1.184 -2.664 4.766
90 HD2 TYR 13 HD2 TYR 13 0.587 -6.941 4.687
91 HE1 TYR 13 HE1 TYR 13 3.335 -2.994 5.994
92 HE2 TYR 13 HE2 TYR 13 2.719 -7.257 5.934
93 HH TYR 13 HH TYR 13 4.571 -4.507 7.190
94 H TRP 14 H TRP 14 1.901 -3.411 1.753
95 HA TRP 14 HA TRP 14 2.678 -6.071 0.610
96 HB2 TRP 14 HB2 TRP 14 3.481 -3.251 -0.094
97 HB3 TRP 14 HB3 TRP 14 4.447 -4.639 -0.556
98 HD1 TRP 14 HD1 TRP 14 1.200 -2.885 -1.385
99 HE1 TRP 14 HE1 TRP 14 0.106 -3.956 -3.466
100 HE3 TRP 14 HE3 TRP 14 4.336 -6.892 -1.990
101 HZ2 TRP 14 HZ2 TRP 14 0.470 -6.298 -5.072
102 HZ3 TRP 14 HZ3 TRP 14 3.930 -8.536 -3.812
103 HH2 TRP 14 HH2 TRP 14 2.000 -8.256 -5.352
104 H PHE 15 H PHE 15 4.051 -7.218 1.713
105 HA PHE 15 HA PHE 15 5.566 -6.092 3.994
106 HB2 PHE 15 HB2 PHE 15 4.232 -8.087 4.374
107 HB3 PHE 15 HB3 PHE 15 4.999 -8.916 3.031
108 HD1 PHE 15 HD1 PHE 15 7.003 -10.170 3.342
109 HD2 PHE 15 HD2 PHE 15 5.704 -7.423 6.402
110 HE1 PHE 15 HE1 PHE 15 8.766 -11.028 4.866
111 HE2 PHE 15 HE2 PHE 15 7.467 -8.278 7.919
112 HZ PHE 15 HZ PHE 15 9.003 -10.083 7.157
113 H GLY 16 H GLY 16 7.792 -6.138 4.180
114 HA2 GLY 16 HA2 GLY 16 10.007 -6.410 3.654
115 HA3 GLY 16 HA3 GLY 16 9.514 -7.756 2.626
116 H THR 17 H THR 17 8.353 -4.513 1.890
117 HA THR 17 HA THR 17 10.455 -4.014 -0.102
118 HB THR 17 HB THR 17 8.557 -5.165 -1.306
119 HG1 THR 17 HG1 THR 17 8.543 -3.548 -2.912
120 HG21 THR 17 HG21 THR 17 6.679 -4.125 0.014
121 HG22 THR 17 HG22 THR 17 7.007 -2.620 -0.877
122 HG23 THR 17 HG23 THR 17 6.519 -4.075 -1.753
123 H LYS 18 H LYS 18 10.510 -1.862 -0.767
124 HA LYS 18 HA LYS 18 9.699 0.109 1.336
125 HB2 LYS 18 HB2 LYS 18 12.080 -0.206 0.922
126 HB3 LYS 18 HB3 LYS 18 11.898 0.162 -0.792
127 HG2 LYS 18 HG2 LYS 18 10.970 2.171 1.246
128 HG3 LYS 18 HG3 LYS 18 12.703 1.980 1.004
129 HD2 LYS 18 HD2 LYS 18 12.670 2.701 -1.217
130 HD3 LYS 18 HD3 LYS 18 10.957 2.421 -1.436
131 HE2 LYS 18 HE2 LYS 18 12.194 4.624 0.264
132 HE3 LYS 18 HE3 LYS 18 11.474 4.801 -1.341
133 HZ1 LYS 18 HZ1 LYS 18 10.045 4.096 1.156
134 HZ2 LYS 18 HZ2 LYS 18 9.819 5.420 0.230
135 HZ3 LYS 18 HZ3 LYS 18 9.355 3.937 -0.307
136 H THR 19 H THR 19 9.120 -0.646 -1.973
137 HA THR 19 HA THR 19 7.467 1.823 -2.325
138 HB THR 19 HB THR 19 9.683 1.891 -3.546
139 HG1 THR 19 HG1 THR 19 8.673 2.799 -5.327
140 HG21 THR 19 HG21 THR 19 9.684 -0.476 -4.390
141 HG22 THR 19 HG22 THR 19 8.298 -0.076 -5.429
142 HG23 THR 19 HG23 THR 19 9.863 0.730 -5.676
143 H CYS 20 H CYS 20 5.835 1.661 -4.056
144 HA CYS 20 HA CYS 20 4.435 -0.923 -3.894
145 HB2 CYS 20 HB2 CYS 20 3.582 1.757 -5.029
146 HB3 CYS 20 HB3 CYS 20 2.561 0.318 -4.966
147 HA PRO 21 HA PRO 21 5.918 -2.128 -7.935
148 HB2 PRO 21 HB2 PRO 21 4.128 -4.139 -8.527
149 HB3 PRO 21 HB3 PRO 21 5.467 -4.308 -7.349
150 HG2 PRO 21 HG2 PRO 21 2.564 -3.657 -6.780
151 HG3 PRO 21 HG3 PRO 21 3.609 -4.838 -5.936
152 HD2 PRO 21 HD2 PRO 21 3.141 -2.373 -4.947
153 HD3 PRO 21 HD3 PRO 21 4.747 -3.147 -4.776
154 H SER 22 H SER 22 5.736 -0.981 -9.653
155 HA SER 22 HA SER 22 3.714 0.826 -10.167
156 HB2 SER 22 HB2 SER 22 5.734 -0.240 -12.176
157 HB3 SER 22 HB3 SER 22 4.953 1.350 -12.168
158 HG SER 22 HG SER 22 7.069 1.434 -11.289
159 H ASN 23 H ASN 23 3.952 -2.430 -11.501
160 HA ASN 23 HA ASN 23 2.109 -1.963 -13.707
161 HB2 ASN 23 HB2 ASN 23 3.249 -4.521 -12.500
162 HB3 ASN 23 HB3 ASN 23 2.313 -4.439 -13.988
163 HD21 ASN 23 HD21 ASN 23 5.468 -4.517 -12.850
164 HD22 ASN 23 HD22 ASN 23 6.233 -3.789 -14.253
165 H ARG 24 H ARG 24 1.502 -2.347 -10.395
166 HA ARG 24 HA ARG 24 -0.930 -4.005 -10.602
167 HB2 ARG 24 HB2 ARG 24 0.503 -2.749 -8.300
168 HB3 ARG 24 HB3 ARG 24 -0.976 -3.714 -8.188
169 HG2 ARG 24 HG2 ARG 24 0.751 -5.249 -9.887
170 HG3 ARG 24 HG3 ARG 24 1.802 -4.588 -8.651
171 HD2 ARG 24 HD2 ARG 24 1.065 -6.573 -7.708
172 HD3 ARG 24 HD3 ARG 24 -0.014 -5.356 -6.995
173 HE ARG 24 HE ARG 24 -0.716 -7.195 -9.263
174 HH11 ARG 24 HH11 ARG 24 -1.894 -5.384 -6.434
175 HH12 ARG 24 HH12 ARG 24 -3.494 -6.102 -6.665
176 HH21 ARG 24 HH21 ARG 24 -2.841 -7.945 -9.356
177 HH22 ARG 24 HH22 ARG 24 -3.975 -7.349 -8.139
178 H GLY 25 H GLY 25 -0.390 -0.680 -10.998
179 HA2 GLY 25 HA2 GLY 25 -1.957 0.889 -11.663
180 HA3 GLY 25 HA3 GLY 25 -3.261 -0.221 -11.246
181 H TYR 26 H TYR 26 -0.883 0.579 -8.775
182 HA TYR 26 HA TYR 26 -2.890 1.689 -7.046
183 HB2 TYR 26 HB2 TYR 26 0.140 1.631 -6.819
184 HB3 TYR 26 HB3 TYR 26 -0.949 2.137 -5.526
185 HD1 TYR 26 HD1 TYR 26 1.003 -0.558 -6.538
186 HD2 TYR 26 HD2 TYR 26 -3.010 0.322 -5.178
187 HE1 TYR 26 HE1 TYR 26 0.697 -2.919 -5.827
188 HE2 TYR 26 HE2 TYR 26 -3.305 -2.041 -4.509
189 HH TYR 26 HH TYR 26 -2.382 -4.135 -4.516
190 H THR 27 H THR 27 -3.296 3.755 -6.382
191 HA THR 27 HA THR 27 -2.327 5.942 -8.172
192 HB THR 27 HB THR 27 -4.791 5.335 -7.972
193 HG1 THR 27 HG1 THR 27 -3.925 7.986 -7.478
194 HG21 THR 27 HG21 THR 27 -4.878 5.260 -5.442
195 HG22 THR 27 HG22 THR 27 -4.679 7.020 -5.434
196 HG23 THR 27 HG23 THR 27 -6.098 6.289 -6.208
197 H GLY 28 H GLY 28 -1.926 4.807 -4.965
198 HA2 GLY 28 HA2 GLY 28 -0.071 6.893 -4.313
199 HA3 GLY 28 HA3 GLY 28 -1.571 7.111 -3.414
200 H SER 29 H SER 29 0.566 6.760 -1.928
201 HA SER 29 HA SER 29 0.368 4.085 -0.729
202 HB2 SER 29 HB2 SER 29 2.756 3.618 -0.997
203 HB3 SER 29 HB3 SER 29 1.931 3.764 -2.559
204 HG SER 29 HG SER 29 3.621 5.714 -1.332
205 H CYS 30 H CYS 30 1.599 3.828 1.246
206 HA CYS 30 HA CYS 30 3.034 6.111 2.329
207 HB2 CYS 30 HB2 CYS 30 1.720 6.438 4.314
208 HB3 CYS 30 HB3 CYS 30 0.639 6.599 2.927
209 H GLY 31 H GLY 31 4.559 5.539 3.910
210 HA2 GLY 31 HA2 GLY 31 5.359 2.794 4.029
211 HA3 GLY 31 HA3 GLY 31 5.982 4.088 5.052
212 H TYR 32 H TYR 32 5.010 1.182 5.548
213 HA TYR 32 HA TYR 32 3.025 1.716 7.721
214 HB2 TYR 32 HB2 TYR 32 2.445 0.557 5.324
215 HB3 TYR 32 HB3 TYR 32 2.965 -0.856 6.206
216 HD1 TYR 32 HD1 TYR 32 1.233 -2.020 7.399
217 HD2 TYR 32 HD2 TYR 32 0.779 2.184 6.522
218 HE1 TYR 32 HE1 TYR 32 -1.104 -2.096 8.237
219 HE2 TYR 32 HE2 TYR 32 -1.558 2.101 7.362
220 HH TYR 32 HH TYR 32 -3.023 -0.903 8.649
221 H PHE 33 H PHE 33 2.901 -0.427 9.169
222 HA PHE 33 HA PHE 33 5.500 -0.723 10.366
223 HB2 PHE 33 HB2 PHE 33 3.252 -0.939 11.505
224 HB3 PHE 33 HB3 PHE 33 3.094 -2.519 10.729
225 HD1 PHE 33 HD1 PHE 33 5.658 -0.591 12.737
226 HD2 PHE 33 HD2 PHE 33 3.634 -4.353 12.115
227 HE1 PHE 33 HE1 PHE 33 6.918 -1.583 14.629
228 HE2 PHE 33 HE2 PHE 33 4.889 -5.335 14.020
229 HZ PHE 33 HZ PHE 33 6.540 -3.957 15.272
230 H LEU 34 H LEU 34 7.117 -2.108 9.937
231 HA LEU 34 HA LEU 34 8.445 -3.567 8.878
232 HB2 LEU 34 HB2 LEU 34 6.060 -5.426 8.896
233 HB3 LEU 34 HB3 LEU 34 7.748 -5.897 8.777
234 HG LEU 34 HG LEU 34 6.510 -4.534 11.205
235 HD11 LEU 34 HD11 LEU 34 5.584 -6.753 10.795
236 HD12 LEU 34 HD12 LEU 34 7.223 -7.439 10.698
237 HD13 LEU 34 HD13 LEU 34 6.627 -6.752 12.231
238 HD21 LEU 34 HD21 LEU 34 8.928 -4.117 11.066
239 HD22 LEU 34 HD22 LEU 34 8.563 -5.260 12.362
240 HD23 LEU 34 HD23 LEU 34 9.227 -5.856 10.824
241 H GLY 35 H GLY 35 6.214 -2.127 7.068
242 HA2 GLY 35 HA2 GLY 35 7.394 -2.874 4.492
243 HA3 GLY 35 HA3 GLY 35 5.793 -3.560 4.746
244 H ILE 36 H ILE 36 4.646 -2.446 3.258
245 HA ILE 36 HA ILE 36 4.251 0.472 3.613
246 HB ILE 36 HB ILE 36 5.977 0.552 2.073
247 HG12 ILE 36 HG12 ILE 36 3.524 0.580 0.278
248 HG13 ILE 36 HG13 ILE 36 3.867 1.816 1.466
249 HG21 ILE 36 HG21 ILE 36 4.676 -1.502 0.258
250 HG22 ILE 36 HG22 ILE 36 6.262 -0.734 0.075
251 HG23 ILE 36 HG23 ILE 36 6.003 -1.885 1.376
252 HD11 ILE 36 HD11 ILE 36 4.641 2.623 -0.646
253 HD12 ILE 36 HD12 ILE 36 6.071 2.242 0.320
254 HD13 ILE 36 HD13 ILE 36 5.523 1.122 -0.965
255 H CYS 37 H CYS 37 2.364 1.286 2.890
256 HA CYS 37 HA CYS 37 0.154 -0.605 2.245
257 HB2 CYS 37 HB2 CYS 37 -0.079 0.742 4.250
258 HB3 CYS 37 HB3 CYS 37 0.367 2.195 3.379
259 H CYS 38 H CYS 38 -0.684 -0.528 0.220
260 HA CYS 38 HA CYS 38 -0.074 1.749 -1.631
261 HB2 CYS 38 HB2 CYS 38 -0.205 -1.203 -2.267
262 HB3 CYS 38 HB3 CYS 38 0.128 0.083 -3.415
263 H TYR 39 H TYR 39 -1.896 2.540 -2.678
264 HA TYR 39 HA TYR 39 -4.447 1.061 -2.317
265 HB2 TYR 39 HB2 TYR 39 -5.539 3.185 -1.576
266 HB3 TYR 39 HB3 TYR 39 -4.470 2.407 -0.448
267 HD1 TYR 39 HD1 TYR 39 -2.628 3.516 0.529
268 HD2 TYR 39 HD2 TYR 39 -4.789 5.313 -2.748
269 HE1 TYR 39 HE1 TYR 39 -1.591 5.722 1.052
270 HE2 TYR 39 HE2 TYR 39 -3.765 7.517 -2.211
271 HH TYR 39 HH TYR 39 -2.348 8.678 -0.827
272 HA PRO 40 HA PRO 40 -6.898 1.917 -2.672
273 HB2 PRO 40 HB2 PRO 40 -8.670 0.792 -4.393
274 HB3 PRO 40 HB3 PRO 40 -8.436 2.561 -4.259
275 HG2 PRO 40 HG2 PRO 40 -7.147 0.671 -6.267
276 HG3 PRO 40 HG3 PRO 40 -8.056 2.183 -6.604
277 HD2 PRO 40 HD2 PRO 40 -5.352 2.197 -6.451
278 HD3 PRO 40 HD3 PRO 40 -6.313 3.531 -5.751
279 H VAL 41 H VAL 41 -7.861 -0.066 -1.937
280 HA VAL 41 HA VAL 41 -6.153 -2.335 -1.790
281 HB VAL 41 HB VAL 41 -7.751 -1.599 -0.055
282 HG11 VAL 41 HG11 VAL 41 -9.717 -1.054 -1.473
283 HG12 VAL 41 HG12 VAL 41 -9.969 -2.791 -1.749
284 HG13 VAL 41 HG13 VAL 41 -10.101 -2.117 -0.116
285 HG21 VAL 41 HG21 VAL 41 -8.542 -3.802 0.658
286 HG22 VAL 41 HG22 VAL 41 -8.193 -4.469 -0.948
287 HG23 VAL 41 HG23 VAL 41 -6.875 -3.855 0.086
288 H ASP 42 H ASP 42 -6.130 -4.301 -2.810
289 HA ASP 42 HA ASP 42 -8.058 -4.806 -5.039
290 HB2 ASP 42 HB2 ASP 42 -6.010 -3.867 -5.959
291 HB3 ASP 42 HB3 ASP 42 -5.038 -5.056 -5.101
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -0.591 -7.745 0.562
2 H2 GLY 1 H2 GLY 1 -1.455 -8.976 -0.113
3 H3 GLY 1 H3 GLY 1 0.163 -9.128 0.115
4 HA2 GLY 1 HA2 GLY 1 -0.929 -10.406 1.789
5 HA3 GLY 1 HA3 GLY 1 -0.125 -9.006 2.520
6 H THR 2 H THR 2 -1.391 -8.337 4.152
7 HA THR 2 HA THR 2 -4.286 -8.633 4.172
8 HB THR 2 HB THR 2 -2.768 -9.019 6.095
9 HG1 THR 2 HG1 THR 2 -4.249 -8.223 7.544
10 HG21 THR 2 HG21 THR 2 -2.633 -5.990 6.297
11 HG22 THR 2 HG22 THR 2 -2.153 -7.142 7.554
12 HG23 THR 2 HG23 THR 2 -1.278 -7.099 6.023
13 H THR 3 H THR 3 -5.463 -6.530 5.312
14 HA THR 3 HA THR 3 -5.461 -4.414 3.287
15 HB THR 3 HB THR 3 -7.078 -3.478 5.330
16 HG1 THR 3 HG1 THR 3 -7.083 -5.295 6.558
17 HG21 THR 3 HG21 THR 3 -7.755 -5.273 2.982
18 HG22 THR 3 HG22 THR 3 -8.929 -4.312 3.918
19 HG23 THR 3 HG23 THR 3 -7.641 -3.493 3.011
20 H CYS 4 H CYS 4 -5.172 -2.249 3.653
21 HA CYS 4 HA CYS 4 -3.773 -1.410 6.121
22 HB2 CYS 4 HB2 CYS 4 -1.979 -0.405 5.025
23 HB3 CYS 4 HB3 CYS 4 -2.130 -1.978 4.257
24 H TYR 5 H TYR 5 -3.701 1.025 6.369
25 HA TYR 5 HA TYR 5 -5.882 2.448 4.920
26 HB2 TYR 5 HB2 TYR 5 -5.637 2.255 7.944
27 HB3 TYR 5 HB3 TYR 5 -6.697 3.355 7.086
28 HD1 TYR 5 HD1 TYR 5 -6.097 -0.210 7.945
29 HD2 TYR 5 HD2 TYR 5 -8.805 2.635 6.155
30 HE1 TYR 5 HE1 TYR 5 -7.923 -1.908 7.998
31 HE2 TYR 5 HE2 TYR 5 -10.633 0.949 6.243
32 HH TYR 5 HH TYR 5 -11.238 -1.179 6.853
33 H CYS 6 H CYS 6 -5.350 4.477 4.361
34 HA CYS 6 HA CYS 6 -3.710 6.101 6.216
35 HB2 CYS 6 HB2 CYS 6 -2.708 5.128 3.597
36 HB3 CYS 6 HB3 CYS 6 -2.524 6.857 3.841
37 H GLY 7 H GLY 7 -4.443 8.169 6.361
38 HA2 GLY 7 HA2 GLY 7 -5.724 10.046 5.970
39 HA3 GLY 7 HA3 GLY 7 -5.298 9.824 4.269
40 H LYS 8 H LYS 8 -7.322 7.741 6.330
41 HA LYS 8 HA LYS 8 -9.305 6.701 6.000
42 HB2 LYS 8 HB2 LYS 8 -10.231 9.385 4.933
43 HB3 LYS 8 HB3 LYS 8 -11.274 8.043 5.410
44 HG2 LYS 8 HG2 LYS 8 -10.339 8.139 7.723
45 HG3 LYS 8 HG3 LYS 8 -9.397 9.571 7.260
46 HD2 LYS 8 HD2 LYS 8 -11.488 10.777 6.702
47 HD3 LYS 8 HD3 LYS 8 -12.439 9.341 7.140
48 HE2 LYS 8 HE2 LYS 8 -11.522 9.448 9.452
49 HE3 LYS 8 HE3 LYS 8 -10.600 10.893 9.019
50 HZ1 LYS 8 HZ1 LYS 8 -12.694 11.471 10.107
51 HZ2 LYS 8 HZ2 LYS 8 -12.716 12.025 8.573
52 HZ3 LYS 8 HZ3 LYS 8 -13.567 10.687 8.974
53 H THR 9 H THR 9 -7.339 6.701 3.743
54 HA THR 9 HA THR 9 -9.093 5.542 1.626
55 HB THR 9 HB THR 9 -6.188 6.426 1.344
56 HG1 THR 9 HG1 THR 9 -7.599 8.190 1.559
57 HG21 THR 9 HG21 THR 9 -8.286 5.519 -0.684
58 HG22 THR 9 HG22 THR 9 -6.676 6.167 -1.074
59 HG23 THR 9 HG23 THR 9 -6.820 4.629 -0.212
60 H ILE 10 H ILE 10 -9.306 3.471 2.021
61 HA ILE 10 HA ILE 10 -7.338 1.832 3.402
62 HB ILE 10 HB ILE 10 -9.766 1.529 3.644
63 HG12 ILE 10 HG12 ILE 10 -8.387 -0.919 2.462
64 HG13 ILE 10 HG13 ILE 10 -8.322 -0.367 4.140
65 HG21 ILE 10 HG21 ILE 10 -10.325 2.135 1.285
66 HG22 ILE 10 HG22 ILE 10 -9.737 0.538 0.775
67 HG23 ILE 10 HG23 ILE 10 -11.150 0.683 1.852
68 HD11 ILE 10 HD11 ILE 10 -10.845 -0.667 4.240
69 HD12 ILE 10 HD12 ILE 10 -10.728 -1.479 2.660
70 HD13 ILE 10 HD13 ILE 10 -9.891 -2.149 4.069
71 H GLY 11 H GLY 11 -6.105 0.150 2.512
72 HA2 GLY 11 HA2 GLY 11 -5.859 -0.114 -0.436
73 HA3 GLY 11 HA3 GLY 11 -4.461 0.429 0.492
74 H ILE 12 H ILE 12 -3.594 -1.415 -0.558
75 HA ILE 12 HA ILE 12 -3.979 -3.984 0.871
76 HB ILE 12 HB ILE 12 -3.605 -3.277 -1.899
77 HG12 ILE 12 HG12 ILE 12 -5.168 -4.896 -1.144
78 HG13 ILE 12 HG13 ILE 12 -4.068 -5.567 -2.342
79 HG21 ILE 12 HG21 ILE 12 -1.800 -4.836 -2.534
80 HG22 ILE 12 HG22 ILE 12 -1.283 -3.325 -1.750
81 HG23 ILE 12 HG23 ILE 12 -1.253 -4.878 -0.863
82 HD11 ILE 12 HD11 ILE 12 -4.467 -7.255 -0.691
83 HD12 ILE 12 HD12 ILE 12 -2.791 -6.706 -0.503
84 HD13 ILE 12 HD13 ILE 12 -4.054 -6.162 0.629
85 H TYR 13 H TYR 13 -2.305 -4.914 1.921
86 HA TYR 13 HA TYR 13 0.024 -3.166 2.574
87 HB2 TYR 13 HB2 TYR 13 -1.189 -3.993 4.492
88 HB3 TYR 13 HB3 TYR 13 -1.080 -5.646 3.902
89 HD1 TYR 13 HD1 TYR 13 1.122 -2.768 4.906
90 HD2 TYR 13 HD2 TYR 13 0.655 -7.051 4.585
91 HE1 TYR 13 HE1 TYR 13 3.270 -3.100 6.135
92 HE2 TYR 13 HE2 TYR 13 2.816 -7.372 5.783
93 HH TYR 13 HH TYR 13 4.553 -4.647 7.235
94 H TRP 14 H TRP 14 1.965 -3.511 1.869
95 HA TRP 14 HA TRP 14 2.780 -6.167 0.739
96 HB2 TRP 14 HB2 TRP 14 3.458 -3.328 -0.038
97 HB3 TRP 14 HB3 TRP 14 4.451 -4.701 -0.521
98 HD1 TRP 14 HD1 TRP 14 1.275 -2.897 -1.356
99 HE1 TRP 14 HE1 TRP 14 0.223 -3.891 -3.497
100 HE3 TRP 14 HE3 TRP 14 4.221 -7.061 -1.875
101 HZ2 TRP 14 HZ2 TRP 14 0.578 -6.189 -5.165
102 HZ3 TRP 14 HZ3 TRP 14 3.830 -8.645 -3.751
103 HH2 TRP 14 HH2 TRP 14 2.013 -8.227 -5.393
104 H PHE 15 H PHE 15 4.550 -7.131 1.593
105 HA PHE 15 HA PHE 15 5.788 -5.907 4.008
106 HB2 PHE 15 HB2 PHE 15 4.714 -8.048 4.302
107 HB3 PHE 15 HB3 PHE 15 5.618 -8.749 2.966
108 HD1 PHE 15 HD1 PHE 15 7.851 -9.605 3.266
109 HD2 PHE 15 HD2 PHE 15 5.944 -7.376 6.426
110 HE1 PHE 15 HE1 PHE 15 9.678 -10.241 4.824
111 HE2 PHE 15 HE2 PHE 15 7.771 -8.005 7.975
112 HZ PHE 15 HZ PHE 15 9.644 -9.441 7.181
113 H GLY 16 H GLY 16 7.909 -5.462 4.198
114 HA2 GLY 16 HA2 GLY 16 10.139 -5.263 3.852
115 HA3 GLY 16 HA3 GLY 16 10.028 -6.773 2.961
116 H THR 17 H THR 17 8.272 -5.147 0.939
117 HA THR 17 HA THR 17 10.376 -4.831 -0.945
118 HB THR 17 HB THR 17 8.163 -5.744 -1.447
119 HG1 THR 17 HG1 THR 17 9.310 -4.966 -3.173
120 HG21 THR 17 HG21 THR 17 6.256 -4.199 -1.877
121 HG22 THR 17 HG22 THR 17 6.678 -4.342 -0.160
122 HG23 THR 17 HG23 THR 17 7.153 -2.901 -1.071
123 H LYS 18 H LYS 18 9.076 -2.465 1.135
124 HA LYS 18 HA LYS 18 9.400 -0.266 1.504
125 HB2 LYS 18 HB2 LYS 18 11.768 -1.105 1.154
126 HB3 LYS 18 HB3 LYS 18 11.710 -0.373 -0.452
127 HG2 LYS 18 HG2 LYS 18 11.209 1.848 0.653
128 HG3 LYS 18 HG3 LYS 18 11.427 1.069 2.221
129 HD2 LYS 18 HD2 LYS 18 13.487 1.369 -0.009
130 HD3 LYS 18 HD3 LYS 18 13.458 2.283 1.493
131 HE2 LYS 18 HE2 LYS 18 13.881 -0.736 1.278
132 HE3 LYS 18 HE3 LYS 18 15.171 0.458 1.413
133 HZ1 LYS 18 HZ1 LYS 18 13.086 -0.005 3.479
134 HZ2 LYS 18 HZ2 LYS 18 14.646 -0.469 3.578
135 HZ3 LYS 18 HZ3 LYS 18 14.273 1.118 3.577
136 H THR 19 H THR 19 9.110 -0.981 -1.919
137 HA THR 19 HA THR 19 7.645 1.606 -2.306
138 HB THR 19 HB THR 19 9.888 1.480 -3.457
139 HG1 THR 19 HG1 THR 19 9.023 2.412 -5.293
140 HG21 THR 19 HG21 THR 19 9.753 -0.906 -4.231
141 HG22 THR 19 HG22 THR 19 8.434 -0.448 -5.331
142 HG23 THR 19 HG23 THR 19 10.058 0.241 -5.547
143 H CYS 20 H CYS 20 6.078 1.517 -4.179
144 HA CYS 20 HA CYS 20 4.475 -0.954 -3.902
145 HB2 CYS 20 HB2 CYS 20 3.742 1.802 -4.911
146 HB3 CYS 20 HB3 CYS 20 2.645 0.422 -4.888
147 HA PRO 21 HA PRO 21 5.545 -2.227 -8.079
148 HB2 PRO 21 HB2 PRO 21 3.574 -4.136 -8.477
149 HB3 PRO 21 HB3 PRO 21 5.007 -4.392 -7.418
150 HG2 PRO 21 HG2 PRO 21 2.237 -3.468 -6.659
151 HG3 PRO 21 HG3 PRO 21 3.177 -4.769 -5.885
152 HD2 PRO 21 HD2 PRO 21 3.073 -2.313 -4.818
153 HD3 PRO 21 HD3 PRO 21 4.617 -3.214 -4.832
154 H SER 22 H SER 22 5.245 -1.120 -9.805
155 HA SER 22 HA SER 22 3.190 0.694 -10.306
156 HB2 SER 22 HB2 SER 22 4.986 -0.639 -12.374
157 HB3 SER 22 HB3 SER 22 4.227 0.956 -12.466
158 HG SER 22 HG SER 22 6.430 1.092 -11.832
159 H ASN 23 H ASN 23 3.430 -2.673 -11.348
160 HA ASN 23 HA ASN 23 1.401 -2.465 -13.399
161 HB2 ASN 23 HB2 ASN 23 2.693 -4.942 -12.189
162 HB3 ASN 23 HB3 ASN 23 1.816 -4.842 -13.717
163 HD21 ASN 23 HD21 ASN 23 2.782 -3.176 -15.355
164 HD22 ASN 23 HD22 ASN 23 4.537 -3.146 -15.413
165 H ARG 24 H ARG 24 0.856 -2.330 -10.199
166 HA ARG 24 HA ARG 24 -1.757 -3.799 -10.285
167 HB2 ARG 24 HB2 ARG 24 -0.428 -2.320 -8.012
168 HB3 ARG 24 HB3 ARG 24 -1.837 -3.360 -7.891
169 HG2 ARG 24 HG2 ARG 24 0.998 -4.276 -8.571
170 HG3 ARG 24 HG3 ARG 24 0.241 -4.348 -6.989
171 HD2 ARG 24 HD2 ARG 24 0.326 -6.509 -8.029
172 HD3 ARG 24 HD3 ARG 24 -1.324 -6.001 -7.673
173 HE ARG 24 HE ARG 24 -0.093 -5.812 -10.411
174 HH11 ARG 24 HH11 ARG 24 -2.947 -6.780 -8.524
175 HH12 ARG 24 HH12 ARG 24 -3.788 -7.222 -9.976
176 HH21 ARG 24 HH21 ARG 24 -1.386 -6.073 -12.124
177 HH22 ARG 24 HH22 ARG 24 -2.919 -6.887 -11.959
178 H GLY 25 H GLY 25 -0.581 -0.715 -10.925
179 HA2 GLY 25 HA2 GLY 25 -1.731 1.144 -11.683
180 HA3 GLY 25 HA3 GLY 25 -3.254 0.277 -11.460
181 H TYR 26 H TYR 26 -0.923 0.854 -8.837
182 HA TYR 26 HA TYR 26 -2.910 2.000 -7.120
183 HB2 TYR 26 HB2 TYR 26 0.120 1.907 -6.932
184 HB3 TYR 26 HB3 TYR 26 -0.930 2.435 -5.621
185 HD1 TYR 26 HD1 TYR 26 1.104 -0.154 -6.295
186 HD2 TYR 26 HD2 TYR 26 -3.108 0.497 -5.539
187 HE1 TYR 26 HE1 TYR 26 0.881 -2.445 -5.383
188 HE2 TYR 26 HE2 TYR 26 -3.324 -1.857 -4.787
189 HH TYR 26 HH TYR 26 -2.258 -3.866 -4.534
190 H THR 27 H THR 27 -3.227 4.052 -6.340
191 HA THR 27 HA THR 27 -2.193 6.303 -8.021
192 HB THR 27 HB THR 27 -4.143 7.557 -7.263
193 HG1 THR 27 HG1 THR 27 -5.736 6.523 -6.086
194 HG21 THR 27 HG21 THR 27 -4.321 6.167 -9.327
195 HG22 THR 27 HG22 THR 27 -4.985 4.835 -8.356
196 HG23 THR 27 HG23 THR 27 -5.871 6.369 -8.493
197 H GLY 28 H GLY 28 -1.929 4.961 -4.853
198 HA2 GLY 28 HA2 GLY 28 -0.018 7.006 -4.116
199 HA3 GLY 28 HA3 GLY 28 -1.500 7.141 -3.177
200 H SER 29 H SER 29 0.716 6.748 -1.804
201 HA SER 29 HA SER 29 0.482 4.063 -0.650
202 HB2 SER 29 HB2 SER 29 2.833 3.526 -0.921
203 HB3 SER 29 HB3 SER 29 2.075 3.780 -2.507
204 HG SER 29 HG SER 29 4.103 4.834 -2.378
205 H CYS 30 H CYS 30 1.723 3.767 1.321
206 HA CYS 30 HA CYS 30 3.141 6.028 2.459
207 HB2 CYS 30 HB2 CYS 30 1.769 6.334 4.432
208 HB3 CYS 30 HB3 CYS 30 0.762 6.583 3.003
209 H GLY 31 H GLY 31 4.597 5.441 4.097
210 HA2 GLY 31 HA2 GLY 31 5.382 2.696 4.248
211 HA3 GLY 31 HA3 GLY 31 5.951 3.986 5.310
212 H TYR 32 H TYR 32 4.927 1.072 5.719
213 HA TYR 32 HA TYR 32 2.891 1.624 7.841
214 HB2 TYR 32 HB2 TYR 32 2.225 0.650 5.431
215 HB3 TYR 32 HB3 TYR 32 2.732 -0.859 6.159
216 HD1 TYR 32 HD1 TYR 32 1.010 -2.080 7.319
217 HD2 TYR 32 HD2 TYR 32 0.642 2.196 6.835
218 HE1 TYR 32 HE1 TYR 32 -1.307 -2.168 8.231
219 HE2 TYR 32 HE2 TYR 32 -1.643 2.109 7.802
220 HH TYR 32 HH TYR 32 -3.268 0.788 8.741
221 H PHE 33 H PHE 33 2.581 -0.543 9.196
222 HA PHE 33 HA PHE 33 4.987 -0.949 10.636
223 HB2 PHE 33 HB2 PHE 33 2.689 -1.323 11.495
224 HB3 PHE 33 HB3 PHE 33 2.567 -2.753 10.462
225 HD1 PHE 33 HD1 PHE 33 4.918 -1.331 13.064
226 HD2 PHE 33 HD2 PHE 33 2.890 -4.814 11.520
227 HE1 PHE 33 HE1 PHE 33 5.883 -2.707 14.891
228 HE2 PHE 33 HE2 PHE 33 3.839 -6.179 13.362
229 HZ PHE 33 HZ PHE 33 5.344 -5.131 15.045
230 H LEU 34 H LEU 34 6.745 -2.071 10.174
231 HA LEU 34 HA LEU 34 8.259 -3.369 9.219
232 HB2 LEU 34 HB2 LEU 34 6.123 -5.497 9.055
233 HB3 LEU 34 HB3 LEU 34 7.862 -5.754 9.105
234 HG LEU 34 HG LEU 34 6.206 -4.586 11.382
235 HD11 LEU 34 HD11 LEU 34 7.428 -7.331 10.969
236 HD12 LEU 34 HD12 LEU 34 6.574 -6.766 12.430
237 HD13 LEU 34 HD13 LEU 34 5.700 -6.913 10.892
238 HD21 LEU 34 HD21 LEU 34 8.520 -3.777 11.494
239 HD22 LEU 34 HD22 LEU 34 8.218 -4.977 12.754
240 HD23 LEU 34 HD23 LEU 34 9.129 -5.438 11.295
241 H GLY 35 H GLY 35 6.092 -2.117 7.282
242 HA2 GLY 35 HA2 GLY 35 7.369 -2.891 4.748
243 HA3 GLY 35 HA3 GLY 35 5.760 -3.570 4.980
244 H ILE 36 H ILE 36 4.607 -2.490 3.476
245 HA ILE 36 HA ILE 36 4.249 0.432 3.722
246 HB ILE 36 HB ILE 36 6.031 0.458 2.239
247 HG12 ILE 36 HG12 ILE 36 3.631 0.468 0.382
248 HG13 ILE 36 HG13 ILE 36 3.931 1.712 1.569
249 HG21 ILE 36 HG21 ILE 36 6.148 -1.952 1.594
250 HG22 ILE 36 HG22 ILE 36 4.747 -1.697 0.530
251 HG23 ILE 36 HG23 ILE 36 6.284 -0.884 0.203
252 HD11 ILE 36 HD11 ILE 36 6.160 2.163 0.491
253 HD12 ILE 36 HD12 ILE 36 5.674 1.032 -0.810
254 HD13 ILE 36 HD13 ILE 36 4.755 2.518 -0.520
255 H CYS 37 H CYS 37 2.382 1.222 2.997
256 HA CYS 37 HA CYS 37 0.176 -0.654 2.294
257 HB2 CYS 37 HB2 CYS 37 -0.093 0.659 4.320
258 HB3 CYS 37 HB3 CYS 37 0.384 2.122 3.485
259 H CYS 38 H CYS 38 -0.614 -0.557 0.259
260 HA CYS 38 HA CYS 38 0.033 1.743 -1.547
261 HB2 CYS 38 HB2 CYS 38 -0.099 -1.194 -2.250
262 HB3 CYS 38 HB3 CYS 38 0.260 0.121 -3.354
263 H TYR 39 H TYR 39 -1.749 2.559 -2.612
264 HA TYR 39 HA TYR 39 -4.320 1.096 -2.391
265 HB2 TYR 39 HB2 TYR 39 -5.400 3.232 -1.597
266 HB3 TYR 39 HB3 TYR 39 -4.439 2.334 -0.463
267 HD1 TYR 39 HD1 TYR 39 -2.515 3.240 0.609
268 HD2 TYR 39 HD2 TYR 39 -4.561 5.430 -2.497
269 HE1 TYR 39 HE1 TYR 39 -1.398 5.342 1.356
270 HE2 TYR 39 HE2 TYR 39 -3.478 7.534 -1.720
271 HH TYR 39 HH TYR 39 -2.042 8.498 -0.212
272 HA PRO 40 HA PRO 40 -6.759 1.978 -2.758
273 HB2 PRO 40 HB2 PRO 40 -8.463 0.974 -4.629
274 HB3 PRO 40 HB3 PRO 40 -8.271 2.728 -4.321
275 HG2 PRO 40 HG2 PRO 40 -6.888 1.058 -6.459
276 HG3 PRO 40 HG3 PRO 40 -7.809 2.586 -6.677
277 HD2 PRO 40 HD2 PRO 40 -5.120 2.633 -6.449
278 HD3 PRO 40 HD3 PRO 40 -6.115 3.862 -5.616
279 H VAL 41 H VAL 41 -7.768 -0.085 -2.238
280 HA VAL 41 HA VAL 41 -5.999 -2.257 -2.056
281 HB VAL 41 HB VAL 41 -7.876 -1.647 -0.530
282 HG11 VAL 41 HG11 VAL 41 -9.672 -1.310 -2.224
283 HG12 VAL 41 HG12 VAL 41 -9.710 -3.066 -2.493
284 HG13 VAL 41 HG13 VAL 41 -10.135 -2.397 -0.908
285 HG21 VAL 41 HG21 VAL 41 -6.809 -3.779 -0.213
286 HG22 VAL 41 HG22 VAL 41 -8.534 -3.917 0.100
287 HG23 VAL 41 HG23 VAL 41 -7.877 -4.548 -1.421
288 H ASP 42 H ASP 42 -5.899 -4.288 -3.004
289 HA ASP 42 HA ASP 42 -7.098 -4.580 -5.728
290 HB2 ASP 42 HB2 ASP 42 -4.807 -3.802 -5.883
291 HB3 ASP 42 HB3 ASP 42 -4.250 -5.085 -4.817
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -5.313 -11.674 -0.350
2 H2 GLY 1 H2 GLY 1 -6.343 -10.711 0.488
3 H3 GLY 1 H3 GLY 1 -5.684 -12.026 1.208
4 HA2 GLY 1 HA2 GLY 1 -3.472 -11.076 1.069
5 HA3 GLY 1 HA3 GLY 1 -4.192 -9.648 0.305
6 H THR 2 H THR 2 -3.120 -8.518 2.107
7 HA THR 2 HA THR 2 -4.739 -8.504 4.641
8 HB THR 2 HB THR 2 -1.768 -7.933 4.323
9 HG1 THR 2 HG1 THR 2 -2.233 -10.129 4.250
10 HG21 THR 2 HG21 THR 2 -1.772 -7.930 6.817
11 HG22 THR 2 HG22 THR 2 -2.685 -6.577 6.144
12 HG23 THR 2 HG23 THR 2 -3.548 -7.990 6.802
13 H THR 3 H THR 3 -5.686 -6.571 5.136
14 HA THR 3 HA THR 3 -5.457 -4.363 3.298
15 HB THR 3 HB THR 3 -6.974 -3.358 5.341
16 HG1 THR 3 HG1 THR 3 -6.965 -5.105 6.669
17 HG21 THR 3 HG21 THR 3 -7.649 -3.475 3.069
18 HG22 THR 3 HG22 THR 3 -7.770 -5.254 3.115
19 HG23 THR 3 HG23 THR 3 -8.904 -4.253 4.057
20 H CYS 4 H CYS 4 -5.142 -2.228 3.771
21 HA CYS 4 HA CYS 4 -3.700 -1.501 6.231
22 HB2 CYS 4 HB2 CYS 4 -1.963 -0.371 5.160
23 HB3 CYS 4 HB3 CYS 4 -2.032 -1.930 4.387
24 H TYR 5 H TYR 5 -3.649 0.953 6.543
25 HA TYR 5 HA TYR 5 -5.821 2.404 5.120
26 HB2 TYR 5 HB2 TYR 5 -5.567 2.169 8.140
27 HB3 TYR 5 HB3 TYR 5 -6.580 3.334 7.312
28 HD1 TYR 5 HD1 TYR 5 -6.152 -0.267 8.106
29 HD2 TYR 5 HD2 TYR 5 -8.712 2.733 6.351
30 HE1 TYR 5 HE1 TYR 5 -8.063 -1.871 8.139
31 HE2 TYR 5 HE2 TYR 5 -10.623 1.141 6.419
32 HH TYR 5 HH TYR 5 -11.338 -0.958 7.010
33 H CYS 6 H CYS 6 -5.299 4.432 4.602
34 HA CYS 6 HA CYS 6 -3.454 6.002 6.330
35 HB2 CYS 6 HB2 CYS 6 -2.983 5.279 3.440
36 HB3 CYS 6 HB3 CYS 6 -2.454 6.849 4.018
37 H GLY 7 H GLY 7 -4.268 8.037 6.661
38 HA2 GLY 7 HA2 GLY 7 -5.553 9.937 6.406
39 HA3 GLY 7 HA3 GLY 7 -5.191 9.781 4.684
40 H LYS 8 H LYS 8 -7.177 7.630 6.712
41 HA LYS 8 HA LYS 8 -9.197 6.676 6.433
42 HB2 LYS 8 HB2 LYS 8 -9.743 9.157 6.962
43 HB3 LYS 8 HB3 LYS 8 -10.306 9.231 5.289
44 HG2 LYS 8 HG2 LYS 8 -11.956 7.425 5.779
45 HG3 LYS 8 HG3 LYS 8 -11.273 7.233 7.395
46 HD2 LYS 8 HD2 LYS 8 -13.332 8.482 7.538
47 HD3 LYS 8 HD3 LYS 8 -11.981 9.538 7.976
48 HE2 LYS 8 HE2 LYS 8 -12.023 10.537 5.697
49 HE3 LYS 8 HE3 LYS 8 -13.338 9.446 5.239
50 HZ1 LYS 8 HZ1 LYS 8 -13.503 11.509 7.373
51 HZ2 LYS 8 HZ2 LYS 8 -14.179 11.630 5.894
52 HZ3 LYS 8 HZ3 LYS 8 -14.721 10.506 6.945
53 H THR 9 H THR 9 -7.309 6.658 4.135
54 HA THR 9 HA THR 9 -9.141 5.567 2.045
55 HB THR 9 HB THR 9 -6.274 6.536 1.677
56 HG1 THR 9 HG1 THR 9 -7.723 8.242 1.948
57 HG21 THR 9 HG21 THR 9 -6.855 4.736 0.110
58 HG22 THR 9 HG22 THR 9 -8.376 5.558 -0.308
59 HG23 THR 9 HG23 THR 9 -6.810 6.289 -0.730
60 H ILE 10 H ILE 10 -9.302 3.482 2.342
61 HA ILE 10 HA ILE 10 -7.304 1.808 3.635
62 HB ILE 10 HB ILE 10 -9.735 1.514 3.888
63 HG12 ILE 10 HG12 ILE 10 -8.371 -0.912 2.647
64 HG13 ILE 10 HG13 ILE 10 -8.300 -0.394 4.338
65 HG21 ILE 10 HG21 ILE 10 -10.316 2.176 1.549
66 HG22 ILE 10 HG22 ILE 10 -9.749 0.585 1.000
67 HG23 ILE 10 HG23 ILE 10 -11.145 0.720 2.100
68 HD11 ILE 10 HD11 ILE 10 -9.882 -2.158 4.254
69 HD12 ILE 10 HD12 ILE 10 -10.830 -0.673 4.431
70 HD13 ILE 10 HD13 ILE 10 -10.711 -1.475 2.846
71 H GLY 11 H GLY 11 -6.036 0.188 2.676
72 HA2 GLY 11 HA2 GLY 11 -5.960 -0.090 -0.279
73 HA3 GLY 11 HA3 GLY 11 -4.505 0.464 0.548
74 H ILE 12 H ILE 12 -3.698 -1.419 -0.518
75 HA ILE 12 HA ILE 12 -4.015 -3.979 0.940
76 HB ILE 12 HB ILE 12 -3.648 -3.268 -1.824
77 HG12 ILE 12 HG12 ILE 12 -5.137 -4.972 -1.098
78 HG13 ILE 12 HG13 ILE 12 -3.990 -5.577 -2.286
79 HG21 ILE 12 HG21 ILE 12 -1.781 -4.756 -2.460
80 HG22 ILE 12 HG22 ILE 12 -1.325 -3.224 -1.682
81 HG23 ILE 12 HG23 ILE 12 -1.237 -4.779 -0.796
82 HD11 ILE 12 HD11 ILE 12 -4.291 -7.306 -0.689
83 HD12 ILE 12 HD12 ILE 12 -2.676 -6.638 -0.386
84 HD13 ILE 12 HD13 ILE 12 -4.050 -6.207 0.666
85 H TYR 13 H TYR 13 -2.310 -4.874 1.997
86 HA TYR 13 HA TYR 13 -0.003 -3.090 2.633
87 HB2 TYR 13 HB2 TYR 13 -1.227 -3.958 4.538
88 HB3 TYR 13 HB3 TYR 13 -1.077 -5.598 3.938
89 HD1 TYR 13 HD1 TYR 13 1.336 -2.744 4.562
90 HD2 TYR 13 HD2 TYR 13 0.355 -6.903 5.196
91 HE1 TYR 13 HE1 TYR 13 3.442 -3.058 5.850
92 HE2 TYR 13 HE2 TYR 13 2.443 -7.195 6.509
93 HH TYR 13 HH TYR 13 4.313 -6.197 7.335
94 H TRP 14 H TRP 14 1.911 -3.366 1.733
95 HA TRP 14 HA TRP 14 2.677 -6.003 0.533
96 HB2 TRP 14 HB2 TRP 14 3.498 -3.171 -0.154
97 HB3 TRP 14 HB3 TRP 14 4.364 -4.599 -0.712
98 HD1 TRP 14 HD1 TRP 14 1.315 -2.556 -1.515
99 HE1 TRP 14 HE1 TRP 14 0.149 -3.557 -3.590
100 HE3 TRP 14 HE3 TRP 14 3.974 -6.930 -1.993
101 HZ2 TRP 14 HZ2 TRP 14 0.356 -5.862 -5.252
102 HZ3 TRP 14 HZ3 TRP 14 3.466 -8.501 -3.852
103 HH2 TRP 14 HH2 TRP 14 1.661 -7.987 -5.480
104 H PHE 15 H PHE 15 3.954 -7.146 1.783
105 HA PHE 15 HA PHE 15 5.738 -5.838 3.770
106 HB2 PHE 15 HB2 PHE 15 4.202 -7.497 4.646
107 HB3 PHE 15 HB3 PHE 15 4.745 -8.685 3.473
108 HD1 PHE 15 HD1 PHE 15 6.115 -10.360 4.350
109 HD2 PHE 15 HD2 PHE 15 6.386 -6.387 6.016
110 HE1 PHE 15 HE1 PHE 15 7.848 -11.140 5.944
111 HE2 PHE 15 HE2 PHE 15 8.112 -7.176 7.610
112 HZ PHE 15 HZ PHE 15 8.850 -9.552 7.576
113 H GLY 16 H GLY 16 7.923 -6.250 3.879
114 HA2 GLY 16 HA2 GLY 16 10.034 -6.973 3.259
115 HA3 GLY 16 HA3 GLY 16 9.299 -8.150 2.166
116 H THR 17 H THR 17 8.474 -4.776 1.813
117 HA THR 17 HA THR 17 10.482 -4.217 -0.247
118 HB THR 17 HB THR 17 8.510 -5.195 -1.480
119 HG1 THR 17 HG1 THR 17 8.281 -3.095 -2.712
120 HG21 THR 17 HG21 THR 17 6.698 -4.318 0.008
121 HG22 THR 17 HG22 THR 17 7.019 -2.707 -0.669
122 HG23 THR 17 HG23 THR 17 6.476 -4.017 -1.726
123 H LYS 18 H LYS 18 10.538 -1.994 -0.768
124 HA LYS 18 HA LYS 18 9.455 -0.096 1.295
125 HB2 LYS 18 HB2 LYS 18 11.939 -0.597 1.309
126 HB3 LYS 18 HB3 LYS 18 12.053 0.217 -0.255
127 HG2 LYS 18 HG2 LYS 18 11.356 2.333 0.732
128 HG3 LYS 18 HG3 LYS 18 10.880 1.534 2.236
129 HD2 LYS 18 HD2 LYS 18 12.968 2.715 2.557
130 HD3 LYS 18 HD3 LYS 18 13.231 0.972 2.715
131 HE2 LYS 18 HE2 LYS 18 14.116 0.898 0.390
132 HE3 LYS 18 HE3 LYS 18 13.824 2.635 0.221
133 HZ1 LYS 18 HZ1 LYS 18 16.136 2.172 0.817
134 HZ2 LYS 18 HZ2 LYS 18 15.425 3.007 2.024
135 HZ3 LYS 18 HZ3 LYS 18 15.690 1.401 2.182
136 H THR 19 H THR 19 9.294 -0.958 -1.925
137 HA THR 19 HA THR 19 7.942 1.592 -2.683
138 HB THR 19 HB THR 19 10.187 1.350 -3.804
139 HG1 THR 19 HG1 THR 19 9.326 2.007 -5.755
140 HG21 THR 19 HG21 THR 19 8.805 -0.840 -5.437
141 HG22 THR 19 HG22 THR 19 10.420 -0.153 -5.698
142 HG23 THR 19 HG23 THR 19 10.101 -1.127 -4.255
143 H CYS 20 H CYS 20 6.335 1.255 -4.476
144 HA CYS 20 HA CYS 20 5.021 -1.388 -4.149
145 HB2 CYS 20 HB2 CYS 20 3.882 1.285 -3.977
146 HB3 CYS 20 HB3 CYS 20 2.942 0.102 -4.907
147 HA PRO 21 HA PRO 21 5.740 -2.394 -8.237
148 HB2 PRO 21 HB2 PRO 21 3.751 -4.224 -8.755
149 HB3 PRO 21 HB3 PRO 21 5.125 -4.510 -7.635
150 HG2 PRO 21 HG2 PRO 21 2.321 -3.585 -6.919
151 HG3 PRO 21 HG3 PRO 21 3.248 -4.909 -6.148
152 HD2 PRO 21 HD2 PRO 21 3.185 -2.481 -5.055
153 HD3 PRO 21 HD3 PRO 21 4.709 -3.420 -5.083
154 H SER 22 H SER 22 5.599 -1.217 -9.925
155 HA SER 22 HA SER 22 3.758 0.860 -10.321
156 HB2 SER 22 HB2 SER 22 4.888 0.923 -12.621
157 HB3 SER 22 HB3 SER 22 5.938 1.085 -11.198
158 HG SER 22 HG SER 22 6.779 -0.391 -12.752
159 H ASN 23 H ASN 23 3.904 -2.315 -11.894
160 HA ASN 23 HA ASN 23 1.805 -1.714 -13.795
161 HB2 ASN 23 HB2 ASN 23 2.993 -4.406 -13.032
162 HB3 ASN 23 HB3 ASN 23 2.120 -4.017 -14.517
163 HD21 ASN 23 HD21 ASN 23 3.256 -1.821 -15.591
164 HD22 ASN 23 HD22 ASN 23 4.980 -2.077 -15.801
165 H ARG 24 H ARG 24 1.455 -2.185 -10.538
166 HA ARG 24 HA ARG 24 -0.941 -3.900 -10.603
167 HB2 ARG 24 HB2 ARG 24 1.046 -3.679 -8.818
168 HB3 ARG 24 HB3 ARG 24 0.030 -2.386 -8.192
169 HG2 ARG 24 HG2 ARG 24 -0.619 -4.261 -6.959
170 HG3 ARG 24 HG3 ARG 24 -1.876 -4.200 -8.200
171 HD2 ARG 24 HD2 ARG 24 -0.350 -5.861 -9.486
172 HD3 ARG 24 HD3 ARG 24 0.568 -5.997 -7.979
173 HE ARG 24 HE ARG 24 -2.251 -6.407 -7.473
174 HH11 ARG 24 HH11 ARG 24 0.453 -8.198 -8.836
175 HH12 ARG 24 HH12 ARG 24 -0.300 -9.725 -8.459
176 HH21 ARG 24 HH21 ARG 24 -3.101 -8.225 -7.075
177 HH22 ARG 24 HH22 ARG 24 -2.321 -9.765 -7.454
178 H GLY 25 H GLY 25 -0.380 -0.578 -11.048
179 HA2 GLY 25 HA2 GLY 25 -1.928 1.007 -11.695
180 HA3 GLY 25 HA3 GLY 25 -3.241 -0.093 -11.279
181 H TYR 26 H TYR 26 -0.817 0.767 -8.839
182 HA TYR 26 HA TYR 26 -2.847 1.801 -7.088
183 HB2 TYR 26 HB2 TYR 26 0.186 1.777 -6.897
184 HB3 TYR 26 HB3 TYR 26 -0.867 2.359 -5.602
185 HD1 TYR 26 HD1 TYR 26 1.136 -0.326 -6.233
186 HD2 TYR 26 HD2 TYR 26 -3.038 0.507 -5.380
187 HE1 TYR 26 HE1 TYR 26 0.773 -2.669 -5.518
188 HE2 TYR 26 HE2 TYR 26 -3.352 -1.834 -4.644
189 HH TYR 26 HH TYR 26 -2.427 -3.879 -4.479
190 H THR 27 H THR 27 -3.349 3.801 -6.394
191 HA THR 27 HA THR 27 -2.518 6.069 -8.146
192 HB THR 27 HB THR 27 -4.942 5.372 -7.861
193 HG1 THR 27 HG1 THR 27 -5.582 7.507 -7.953
194 HG21 THR 27 HG21 THR 27 -4.754 6.961 -5.263
195 HG22 THR 27 HG22 THR 27 -6.200 6.238 -5.998
196 HG23 THR 27 HG23 THR 27 -4.930 5.197 -5.341
197 H GLY 28 H GLY 28 -2.000 4.868 -4.961
198 HA2 GLY 28 HA2 GLY 28 -0.047 6.887 -4.419
199 HA3 GLY 28 HA3 GLY 28 -1.473 7.154 -3.419
200 H SER 29 H SER 29 0.874 6.681 -2.206
201 HA SER 29 HA SER 29 0.483 4.128 -0.825
202 HB2 SER 29 HB2 SER 29 2.757 3.353 -1.157
203 HB3 SER 29 HB3 SER 29 1.881 3.446 -2.692
204 HG SER 29 HG SER 29 2.986 5.370 -3.164
205 H CYS 30 H CYS 30 1.740 3.863 1.078
206 HA CYS 30 HA CYS 30 3.170 6.162 2.234
207 HB2 CYS 30 HB2 CYS 30 1.578 6.136 4.212
208 HB3 CYS 30 HB3 CYS 30 0.866 6.785 2.730
209 H GLY 31 H GLY 31 4.558 5.580 3.918
210 HA2 GLY 31 HA2 GLY 31 5.282 2.827 4.178
211 HA3 GLY 31 HA3 GLY 31 5.834 4.130 5.227
212 H TYR 32 H TYR 32 4.677 1.250 5.614
213 HA TYR 32 HA TYR 32 2.517 1.872 7.597
214 HB2 TYR 32 HB2 TYR 32 2.032 0.494 5.475
215 HB3 TYR 32 HB3 TYR 32 3.002 -0.772 6.201
216 HD1 TYR 32 HD1 TYR 32 0.018 1.437 6.754
217 HD2 TYR 32 HD2 TYR 32 1.943 -2.298 7.738
218 HE1 TYR 32 HE1 TYR 32 -1.987 0.745 8.050
219 HE2 TYR 32 HE2 TYR 32 -0.087 -3.011 8.984
220 HH TYR 32 HH TYR 32 -2.961 -0.897 9.332
221 H PHE 33 H PHE 33 2.519 -0.313 9.179
222 HA PHE 33 HA PHE 33 5.022 -0.231 10.681
223 HB2 PHE 33 HB2 PHE 33 2.724 -0.700 11.641
224 HB3 PHE 33 HB3 PHE 33 2.807 -2.284 10.863
225 HD1 PHE 33 HD1 PHE 33 4.754 -0.038 13.181
226 HD2 PHE 33 HD2 PHE 33 3.730 -4.089 12.103
227 HE1 PHE 33 HE1 PHE 33 6.019 -0.882 15.145
228 HE2 PHE 33 HE2 PHE 33 4.993 -4.928 14.071
229 HZ PHE 33 HZ PHE 33 6.143 -3.327 15.590
230 H LEU 34 H LEU 34 6.791 -1.267 10.227
231 HA LEU 34 HA LEU 34 8.380 -2.488 9.302
232 HB2 LEU 34 HB2 LEU 34 6.362 -4.713 8.963
233 HB3 LEU 34 HB3 LEU 34 8.112 -4.871 8.944
234 HG LEU 34 HG LEU 34 6.474 -3.954 11.351
235 HD11 LEU 34 HD11 LEU 34 6.023 -6.277 10.773
236 HD12 LEU 34 HD12 LEU 34 7.768 -6.636 10.773
237 HD13 LEU 34 HD13 LEU 34 6.944 -6.156 12.279
238 HD21 LEU 34 HD21 LEU 34 8.758 -3.075 11.460
239 HD22 LEU 34 HD22 LEU 34 8.539 -4.372 12.635
240 HD23 LEU 34 HD23 LEU 34 9.418 -4.695 11.121
241 H GLY 35 H GLY 35 5.565 -3.274 7.222
242 HA2 GLY 35 HA2 GLY 35 7.209 -2.969 4.755
243 HA3 GLY 35 HA3 GLY 35 5.593 -3.642 4.887
244 H ILE 36 H ILE 36 4.795 -2.440 3.221
245 HA ILE 36 HA ILE 36 4.282 0.468 3.700
246 HB ILE 36 HB ILE 36 6.028 0.615 2.211
247 HG12 ILE 36 HG12 ILE 36 3.623 0.513 0.357
248 HG13 ILE 36 HG13 ILE 36 3.938 1.821 1.468
249 HG21 ILE 36 HG21 ILE 36 6.261 -1.771 1.568
250 HG22 ILE 36 HG22 ILE 36 4.870 -1.590 0.478
251 HG23 ILE 36 HG23 ILE 36 6.374 -0.692 0.188
252 HD11 ILE 36 HD11 ILE 36 4.695 2.573 -0.630
253 HD12 ILE 36 HD12 ILE 36 6.167 2.174 0.266
254 HD13 ILE 36 HD13 ILE 36 5.536 1.060 -0.987
255 H CYS 37 H CYS 37 2.390 1.312 2.939
256 HA CYS 37 HA CYS 37 0.188 -0.611 2.316
257 HB2 CYS 37 HB2 CYS 37 -0.076 0.525 4.403
258 HB3 CYS 37 HB3 CYS 37 0.413 2.064 3.730
259 H CYS 38 H CYS 38 -0.729 -0.456 0.331
260 HA CYS 38 HA CYS 38 -0.387 2.005 -1.312
261 HB2 CYS 38 HB2 CYS 38 0.189 -0.829 -2.136
262 HB3 CYS 38 HB3 CYS 38 0.105 0.542 -3.255
263 H TYR 39 H TYR 39 -2.066 2.625 -2.532
264 HA TYR 39 HA TYR 39 -4.572 1.034 -2.310
265 HB2 TYR 39 HB2 TYR 39 -5.740 3.192 -1.695
266 HB3 TYR 39 HB3 TYR 39 -4.738 2.434 -0.486
267 HD1 TYR 39 HD1 TYR 39 -2.858 3.525 0.494
268 HD2 TYR 39 HD2 TYR 39 -4.944 5.296 -2.845
269 HE1 TYR 39 HE1 TYR 39 -1.673 5.677 0.897
270 HE2 TYR 39 HE2 TYR 39 -3.776 7.459 -2.419
271 HH TYR 39 HH TYR 39 -1.387 7.853 0.221
272 HA PRO 40 HA PRO 40 -7.011 1.785 -2.794
273 HB2 PRO 40 HB2 PRO 40 -8.670 0.596 -4.587
274 HB3 PRO 40 HB3 PRO 40 -8.518 2.372 -4.435
275 HG2 PRO 40 HG2 PRO 40 -7.085 0.547 -6.406
276 HG3 PRO 40 HG3 PRO 40 -8.029 2.031 -6.767
277 HD2 PRO 40 HD2 PRO 40 -5.331 2.117 -6.513
278 HD3 PRO 40 HD3 PRO 40 -6.353 3.429 -5.858
279 H VAL 41 H VAL 41 -7.936 -0.278 -2.127
280 HA VAL 41 HA VAL 41 -6.075 -2.405 -1.886
281 HB VAL 41 HB VAL 41 -7.865 -1.794 -0.277
282 HG11 VAL 41 HG11 VAL 41 -9.794 -3.280 -2.096
283 HG12 VAL 41 HG12 VAL 41 -10.131 -2.586 -0.500
284 HG13 VAL 41 HG13 VAL 41 -9.768 -1.519 -1.863
285 HG21 VAL 41 HG21 VAL 41 -6.744 -3.911 0.004
286 HG22 VAL 41 HG22 VAL 41 -8.446 -4.068 0.430
287 HG23 VAL 41 HG23 VAL 41 -7.875 -4.711 -1.122
288 H ASP 42 H ASP 42 -5.870 -4.382 -2.856
289 HA ASP 42 HA ASP 42 -7.247 -4.805 -5.475
290 HB2 ASP 42 HB2 ASP 42 -4.988 -3.926 -5.738
291 HB3 ASP 42 HB3 ASP 42 -4.338 -5.204 -4.718