NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
597801 |
2mxo   |
25421 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 1.154 0.981 0.299
2 H2 ALA 1 H2 ALA 1 0.421 -0.483 -0.151
3 H3 ALA 1 H3 ALA 1 1.867 -0.497 0.739
4 HA ALA 1 HA ALA 1 1.504 0.514 -2.000
5 HB1 ALA 1 HB1 ALA 1 3.704 0.710 -0.014
6 HB2 ALA 1 HB2 ALA 1 4.169 0.315 -1.686
7 HB3 ALA 1 HB3 ALA 1 3.252 1.803 -1.345
8 H GLU 2 H GLU 2 1.429 -1.033 -3.473
9 HA GLU 2 HA GLU 2 1.655 -3.790 -2.825
10 HB2 GLU 2 HB2 GLU 2 1.690 -2.256 -5.431
11 HB3 GLU 2 HB3 GLU 2 1.882 -4.019 -5.400
12 HG2 GLU 2 HG2 GLU 2 -0.394 -3.699 -5.776
13 HG3 GLU 2 HG3 GLU 2 -0.289 -4.050 -4.035
14 H CYS 3 H CYS 3 3.160 -5.326 -4.040
15 HA CYS 3 HA CYS 3 5.930 -4.209 -4.073
16 HB2 CYS 3 HB2 CYS 3 6.774 -6.130 -2.870
17 HB3 CYS 3 HB3 CYS 3 5.461 -5.406 -1.917
18 H LYS 4 H LYS 4 7.478 -5.480 -5.288
19 HA LYS 4 HA LYS 4 6.551 -6.182 -7.846
20 HB2 LYS 4 HB2 LYS 4 9.065 -6.384 -6.337
21 HB3 LYS 4 HB3 LYS 4 8.881 -7.670 -7.545
22 HG2 LYS 4 HG2 LYS 4 10.074 -5.748 -8.460
23 HG3 LYS 4 HG3 LYS 4 8.519 -5.999 -9.291
24 HD2 LYS 4 HD2 LYS 4 7.505 -4.184 -8.108
25 HD3 LYS 4 HD3 LYS 4 8.898 -4.044 -7.007
26 HE2 LYS 4 HE2 LYS 4 10.317 -3.328 -8.850
27 HE3 LYS 4 HE3 LYS 4 8.980 -3.557 -10.001
28 HZ1 LYS 4 HZ1 LYS 4 7.878 -1.898 -8.201
29 HZ2 LYS 4 HZ2 LYS 4 8.639 -1.386 -9.621
30 HZ3 LYS 4 HZ3 LYS 4 9.487 -1.377 -8.157
31 H GLY 5 H GLY 5 7.075 -8.423 -8.879
32 HA2 GLY 5 HA2 GLY 5 5.788 -10.481 -7.114
33 HA3 GLY 5 HA3 GLY 5 5.467 -10.335 -8.853
34 H PHE 6 H PHE 6 6.255 -12.068 -9.834
35 HA PHE 6 HA PHE 6 8.982 -12.976 -9.005
36 HB2 PHE 6 HB2 PHE 6 7.386 -14.726 -8.598
37 HB3 PHE 6 HB3 PHE 6 6.639 -14.500 -10.196
38 HD1 PHE 6 HD1 PHE 6 10.149 -14.990 -8.987
39 HD2 PHE 6 HD2 PHE 6 7.023 -16.289 -11.565
40 HE1 PHE 6 HE1 PHE 6 11.639 -16.710 -9.919
41 HE2 PHE 6 HE2 PHE 6 8.508 -18.013 -12.502
42 HZ PHE 6 HZ PHE 6 10.819 -18.226 -11.679
43 H TRP 7 H TRP 7 6.868 -12.077 -11.674
44 HA TRP 7 HA TRP 7 9.127 -12.493 -13.572
45 HB2 TRP 7 HB2 TRP 7 7.343 -12.058 -15.323
46 HB3 TRP 7 HB3 TRP 7 7.104 -13.521 -14.340
47 HD1 TRP 7 HD1 TRP 7 5.612 -10.052 -14.979
48 HE1 TRP 7 HE1 TRP 7 3.236 -9.932 -13.937
49 HE3 TRP 7 HE3 TRP 7 5.669 -14.504 -12.463
50 HZ2 TRP 7 HZ2 TRP 7 1.646 -11.564 -12.262
51 HZ3 TRP 7 HZ3 TRP 7 3.681 -15.150 -11.165
52 HH2 TRP 7 HH2 TRP 7 1.712 -13.709 -11.066
53 H LYS 8 H LYS 8 7.677 -10.113 -11.684
54 HA LYS 8 HA LYS 8 7.647 -7.849 -13.364
55 HB2 LYS 8 HB2 LYS 8 8.192 -8.221 -10.412
56 HB3 LYS 8 HB3 LYS 8 8.246 -6.612 -11.160
57 HG2 LYS 8 HG2 LYS 8 5.869 -8.488 -11.200
58 HG3 LYS 8 HG3 LYS 8 6.075 -7.093 -10.112
59 HD2 LYS 8 HD2 LYS 8 6.290 -5.655 -12.184
60 HD3 LYS 8 HD3 LYS 8 5.788 -7.078 -13.128
61 HE2 LYS 8 HE2 LYS 8 3.768 -6.003 -12.804
62 HE3 LYS 8 HE3 LYS 8 3.789 -7.139 -11.434
63 HZ1 LYS 8 HZ1 LYS 8 3.511 -4.387 -11.328
64 HZ2 LYS 8 HZ2 LYS 8 5.061 -4.701 -10.727
65 HZ3 LYS 8 HZ3 LYS 8 3.714 -5.446 -10.024
66 H SER 9 H SER 9 9.212 -5.923 -13.021
67 HA SER 9 HA SER 9 11.962 -6.992 -13.497
68 HB2 SER 9 HB2 SER 9 12.359 -5.158 -14.957
69 HB3 SER 9 HB3 SER 9 10.717 -5.719 -15.354
70 HG SER 9 HG SER 9 10.585 -3.893 -13.371
71 H CYS 10 H CYS 10 13.334 -6.727 -11.886
72 HA CYS 10 HA CYS 10 13.088 -4.225 -10.263
73 HB2 CYS 10 HB2 CYS 10 13.652 -5.432 -8.269
74 HB3 CYS 10 HB3 CYS 10 12.333 -6.322 -9.058
75 H VAL 11 H VAL 11 15.131 -3.658 -9.099
76 HA VAL 11 HA VAL 11 17.453 -4.287 -10.878
77 HB VAL 11 HB VAL 11 18.388 -2.095 -9.927
78 HG11 VAL 11 HG11 VAL 11 16.369 -2.563 -11.996
79 HG12 VAL 11 HG12 VAL 11 16.410 -0.877 -11.425
80 HG13 VAL 11 HG13 VAL 11 17.887 -1.639 -12.063
81 HG21 VAL 11 HG21 VAL 11 16.753 -1.944 -8.058
82 HG22 VAL 11 HG22 VAL 11 16.801 -0.481 -9.069
83 HG23 VAL 11 HG23 VAL 11 15.465 -1.643 -9.250
84 HA PRO 12 HA PRO 12 19.680 -5.998 -7.494
85 HB2 PRO 12 HB2 PRO 12 22.223 -5.200 -8.072
86 HB3 PRO 12 HB3 PRO 12 21.365 -6.460 -8.998
87 HG2 PRO 12 HG2 PRO 12 21.760 -3.545 -9.643
88 HG3 PRO 12 HG3 PRO 12 21.888 -4.972 -10.717
89 HD2 PRO 12 HD2 PRO 12 19.690 -3.368 -10.660
90 HD3 PRO 12 HD3 PRO 12 19.597 -5.125 -10.999
91 H GLY 13 H GLY 13 19.863 -5.423 -5.428
92 HA2 GLY 13 HA2 GLY 13 20.927 -4.097 -3.708
93 HA3 GLY 13 HA3 GLY 13 21.002 -2.728 -4.833
94 H LYS 14 H LYS 14 18.117 -3.495 -5.627
95 HA LYS 14 HA LYS 14 16.895 -1.820 -3.512
96 HB2 LYS 14 HB2 LYS 14 16.078 -2.642 -6.305
97 HB3 LYS 14 HB3 LYS 14 14.906 -1.926 -5.181
98 HG2 LYS 14 HG2 LYS 14 16.776 -0.078 -4.928
99 HG3 LYS 14 HG3 LYS 14 17.273 -0.692 -6.525
100 HD2 LYS 14 HD2 LYS 14 14.885 -0.383 -7.276
101 HD3 LYS 14 HD3 LYS 14 14.580 0.448 -5.731
102 HE2 LYS 14 HE2 LYS 14 16.872 1.328 -7.457
103 HE3 LYS 14 HE3 LYS 14 15.215 1.811 -7.891
104 HZ1 LYS 14 HZ1 LYS 14 16.896 2.945 -5.962
105 HZ2 LYS 14 HZ2 LYS 14 15.595 2.246 -5.139
106 HZ3 LYS 14 HZ3 LYS 14 15.311 3.388 -6.356
107 H ASN 15 H ASN 15 16.289 -4.907 -5.232
108 HA ASN 15 HA ASN 15 15.092 -6.762 -4.605
109 HB2 ASN 15 HB2 ASN 15 15.863 -5.709 -1.864
110 HB3 ASN 15 HB3 ASN 15 15.019 -7.256 -2.101
111 HD21 ASN 15 HD21 ASN 15 17.377 -7.287 -0.827
112 HD22 ASN 15 HD22 ASN 15 18.649 -7.984 -1.890
113 H GLU 16 H GLU 16 13.445 -4.895 -5.473
114 HA GLU 16 HA GLU 16 11.473 -4.005 -3.589
115 HB2 GLU 16 HB2 GLU 16 11.143 -4.497 -6.570
116 HB3 GLU 16 HB3 GLU 16 10.118 -3.473 -5.547
117 HG2 GLU 16 HG2 GLU 16 13.067 -2.941 -5.837
118 HG3 GLU 16 HG3 GLU 16 11.892 -2.353 -7.037
119 H CYS 17 H CYS 17 12.022 -7.020 -5.242
120 HA CYS 17 HA CYS 17 9.454 -8.128 -5.314
121 HB2 CYS 17 HB2 CYS 17 12.031 -9.551 -4.542
122 HB3 CYS 17 HB3 CYS 17 10.554 -10.319 -5.163
123 H CYS 18 H CYS 18 8.317 -9.573 -3.919
124 HA CYS 18 HA CYS 18 8.120 -8.595 -1.240
125 HB2 CYS 18 HB2 CYS 18 7.092 -11.228 -2.370
126 HB3 CYS 18 HB3 CYS 18 6.516 -10.413 -0.900
127 H SER 19 H SER 19 8.314 -9.891 0.748
128 HA SER 19 HA SER 19 10.947 -10.764 1.162
129 HB2 SER 19 HB2 SER 19 9.299 -10.116 2.943
130 HB3 SER 19 HB3 SER 19 8.499 -11.690 2.718
131 HG SER 19 HG SER 19 10.030 -11.707 4.451
132 H GLY 20 H GLY 20 12.057 -12.618 0.953
133 HA2 GLY 20 HA2 GLY 20 12.195 -15.025 0.888
134 HA3 GLY 20 HA3 GLY 20 10.506 -15.094 0.351
135 H TYR 21 H TYR 21 11.268 -12.749 -1.532
136 HA TYR 21 HA TYR 21 12.157 -14.563 -3.707
137 HB2 TYR 21 HB2 TYR 21 10.893 -11.799 -3.720
138 HB3 TYR 21 HB3 TYR 21 11.444 -12.638 -5.186
139 HD1 TYR 21 HD2 TYR 21 9.227 -13.178 -2.217
140 HD2 TYR 21 HD1 TYR 21 9.929 -13.947 -6.342
141 HE1 TYR 21 HE2 TYR 21 7.059 -14.329 -2.365
142 HE2 TYR 21 HE1 TYR 21 7.762 -15.099 -6.502
143 HH TYR 21 HH TYR 21 5.627 -15.414 -3.653
144 H ALA 22 H ALA 22 13.848 -14.067 -5.122
145 HA ALA 22 HA ALA 22 15.822 -12.149 -3.953
146 HB1 ALA 22 HB1 ALA 22 17.569 -13.496 -4.890
147 HB2 ALA 22 HB2 ALA 22 16.456 -14.574 -4.013
148 HB3 ALA 22 HB3 ALA 22 16.396 -14.488 -5.791
149 H CYS 23 H CYS 23 17.351 -11.169 -5.555
150 HA CYS 23 HA CYS 23 15.834 -10.458 -8.036
151 HB2 CYS 23 HB2 CYS 23 17.171 -8.822 -5.986
152 HB3 CYS 23 HB3 CYS 23 17.667 -8.414 -7.642
153 H SER 24 H SER 24 16.826 -10.581 -9.974
154 HA SER 24 HA SER 24 19.701 -11.416 -9.922
155 HB2 SER 24 HB2 SER 24 17.552 -12.951 -10.770
156 HB3 SER 24 HB3 SER 24 18.157 -12.248 -12.290
157 HG SER 24 HG SER 24 19.202 -14.238 -11.749
158 H SER 25 H SER 25 20.921 -9.813 -10.642
159 HA SER 25 HA SER 25 19.874 -7.715 -12.333
160 HB2 SER 25 HB2 SER 25 21.754 -7.469 -10.659
161 HB3 SER 25 HB3 SER 25 22.794 -8.374 -11.785
162 HG SER 25 HG SER 25 23.071 -6.167 -12.147
163 H ARG 26 H ARG 26 21.306 -10.815 -12.905
164 HA ARG 26 HA ARG 26 22.547 -10.468 -15.389
165 HB2 ARG 26 HB2 ARG 26 22.409 -12.583 -14.007
166 HB3 ARG 26 HB3 ARG 26 20.772 -12.820 -14.652
167 HG2 ARG 26 HG2 ARG 26 21.733 -12.841 -16.948
168 HG3 ARG 26 HG3 ARG 26 23.359 -12.748 -16.224
169 HD2 ARG 26 HD2 ARG 26 22.785 -14.840 -14.932
170 HD3 ARG 26 HD3 ARG 26 21.312 -14.960 -15.922
171 HE ARG 26 HE ARG 26 24.012 -15.659 -16.699
172 HH11 ARG 26 HH11 ARG 26 20.917 -14.427 -17.865
173 HH12 ARG 26 HH12 ARG 26 21.168 -15.006 -19.515
174 HH21 ARG 26 HH21 ARG 26 24.331 -16.405 -18.830
175 HH22 ARG 26 HH22 ARG 26 23.094 -16.122 -20.059
176 H ASP 27 H ASP 27 19.087 -11.084 -14.708
177 HA ASP 27 HA ASP 27 18.528 -10.237 -17.524
178 HB2 ASP 27 HB2 ASP 27 17.603 -12.509 -15.953
179 HB3 ASP 27 HB3 ASP 27 16.236 -11.526 -16.521
180 H LYS 28 H LYS 28 18.459 -9.219 -14.381
181 HA LYS 28 HA LYS 28 17.376 -7.515 -13.291
182 HB2 LYS 28 HB2 LYS 28 16.891 -6.814 -16.183
183 HB3 LYS 28 HB3 LYS 28 16.127 -5.853 -14.902
184 HG2 LYS 28 HG2 LYS 28 18.316 -5.343 -13.951
185 HG3 LYS 28 HG3 LYS 28 19.101 -6.344 -15.197
186 HD2 LYS 28 HD2 LYS 28 19.245 -4.003 -15.819
187 HD3 LYS 28 HD3 LYS 28 18.156 -4.855 -16.941
188 HE2 LYS 28 HE2 LYS 28 16.226 -3.923 -15.931
189 HE3 LYS 28 HE3 LYS 28 17.145 -3.363 -14.514
190 HZ1 LYS 28 HZ1 LYS 28 17.683 -1.485 -15.554
191 HZ2 LYS 28 HZ2 LYS 28 16.526 -1.879 -16.723
192 HZ3 LYS 28 HZ3 LYS 28 18.151 -2.281 -16.972
193 H TRP 29 H TRP 29 16.055 -9.786 -12.993
194 HA TRP 29 HA TRP 29 13.218 -8.893 -13.138
195 HB2 TRP 29 HB2 TRP 29 12.561 -11.274 -13.659
196 HB3 TRP 29 HB3 TRP 29 13.402 -10.431 -14.978
197 HD1 TRP 29 HD1 TRP 29 15.680 -11.647 -12.243
198 HE1 TRP 29 HE1 TRP 29 17.021 -13.722 -13.040
199 HE3 TRP 29 HE3 TRP 29 13.099 -12.593 -16.553
200 HZ2 TRP 29 HZ2 TRP 29 16.936 -15.495 -15.242
201 HZ3 TRP 29 HZ3 TRP 29 13.792 -14.497 -17.949
202 HH2 TRP 29 HH2 TRP 29 15.672 -15.917 -17.306
203 H CYS 30 H CYS 30 11.912 -10.850 -11.898
204 HA CYS 30 HA CYS 30 13.145 -10.786 -9.199
205 HB2 CYS 30 HB2 CYS 30 10.352 -11.090 -10.271
206 HB3 CYS 30 HB3 CYS 30 10.729 -11.759 -8.669
207 H LYS 31 H LYS 31 12.854 -12.700 -7.783
208 HA LYS 31 HA LYS 31 12.855 -15.262 -9.297
209 HB2 LYS 31 HB2 LYS 31 14.971 -14.576 -7.228
210 HB3 LYS 31 HB3 LYS 31 14.878 -16.035 -8.236
211 HG2 LYS 31 HG2 LYS 31 15.288 -13.230 -9.302
212 HG3 LYS 31 HG3 LYS 31 16.591 -14.401 -8.982
213 HD2 LYS 31 HD2 LYS 31 14.403 -15.480 -10.621
214 HD3 LYS 31 HD3 LYS 31 15.251 -14.105 -11.369
215 HE2 LYS 31 HE2 LYS 31 17.261 -15.229 -11.482
216 HE3 LYS 31 HE3 LYS 31 16.863 -16.296 -10.114
217 HZ1 LYS 31 HZ1 LYS 31 15.430 -17.571 -11.485
218 HZ2 LYS 31 HZ2 LYS 31 16.870 -17.382 -12.352
219 HZ3 LYS 31 HZ3 LYS 31 15.511 -16.459 -12.758
220 H VAL 32 H VAL 32 12.302 -17.100 -8.085
221 HA VAL 32 HA VAL 32 11.322 -16.515 -5.321
222 HB VAL 32 HB VAL 32 9.401 -16.507 -6.873
223 HG11 VAL 32 HG11 VAL 32 9.660 -19.427 -7.394
224 HG12 VAL 32 HG12 VAL 32 8.933 -18.142 -8.389
225 HG13 VAL 32 HG13 VAL 32 10.702 -18.335 -8.335
226 HG21 VAL 32 HG21 VAL 32 8.001 -17.899 -5.582
227 HG22 VAL 32 HG22 VAL 32 9.313 -19.055 -5.249
228 HG23 VAL 32 HG23 VAL 32 9.332 -17.445 -4.491
229 H LEU 33 H LEU 33 11.821 -17.986 -3.814
230 HA LEU 33 HA LEU 33 13.732 -20.015 -4.386
231 HB2 LEU 33 HB2 LEU 33 11.861 -19.832 -2.007
232 HB3 LEU 33 HB3 LEU 33 13.387 -20.743 -2.090
233 HG LEU 33 HG LEU 33 13.374 -17.758 -2.482
234 HD11 LEU 33 HD11 LEU 33 12.304 -17.733 -0.444
235 HD12 LEU 33 HD12 LEU 33 14.007 -17.818 0.067
236 HD13 LEU 33 HD13 LEU 33 13.004 -19.288 0.068
237 HD21 LEU 33 HD21 LEU 33 15.604 -17.951 -2.338
238 HD22 LEU 33 HD22 LEU 33 15.330 -19.681 -2.648
239 HD23 LEU 33 HD23 LEU 33 15.514 -19.094 -0.976
240 H LEU 34 H LEU 34 13.580 -22.030 -5.108
241 HA LEU 34 HA LEU 34 11.139 -23.093 -6.076
242 HB2 LEU 34 HB2 LEU 34 12.351 -24.987 -6.667
243 HB3 LEU 34 HB3 LEU 34 13.577 -23.699 -6.645
244 HG LEU 34 HG LEU 34 13.130 -25.724 -4.431
245 HD11 LEU 34 HD11 LEU 34 14.308 -26.125 -6.926
246 HD12 LEU 34 HD12 LEU 34 14.515 -27.126 -5.469
247 HD13 LEU 34 HD13 LEU 34 15.675 -25.825 -5.825
248 HD21 LEU 34 HD21 LEU 34 15.274 -24.869 -3.577
249 HD22 LEU 34 HD22 LEU 34 14.023 -23.603 -3.618
250 HD23 LEU 34 HD23 LEU 34 15.292 -23.641 -4.867
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 0.061 1.121 -6.200
2 H2 ALA 1 H2 ALA 1 1.380 0.092 -6.488
3 H3 ALA 1 H3 ALA 1 -0.118 -0.558 -6.027
4 HA ALA 1 HA ALA 1 1.817 0.962 -4.446
5 HB1 ALA 1 HB1 ALA 1 -0.031 0.830 -2.641
6 HB2 ALA 1 HB2 ALA 1 -0.132 2.109 -3.875
7 HB3 ALA 1 HB3 ALA 1 -1.149 0.654 -4.015
8 H GLU 2 H GLU 2 1.671 -1.731 -5.768
9 HA GLU 2 HA GLU 2 1.729 -3.382 -3.272
10 HB2 GLU 2 HB2 GLU 2 0.045 -3.899 -5.207
11 HB3 GLU 2 HB3 GLU 2 1.470 -4.544 -6.046
12 HG2 GLU 2 HG2 GLU 2 1.693 -6.314 -4.612
13 HG3 GLU 2 HG3 GLU 2 0.935 -5.453 -3.252
14 H CYS 3 H CYS 3 3.293 -5.173 -3.265
15 HA CYS 3 HA CYS 3 5.898 -4.171 -4.104
16 HB2 CYS 3 HB2 CYS 3 6.792 -6.107 -2.930
17 HB3 CYS 3 HB3 CYS 3 5.524 -5.352 -1.942
18 H LYS 4 H LYS 4 7.478 -5.477 -5.285
19 HA LYS 4 HA LYS 4 6.564 -6.170 -7.854
20 HB2 LYS 4 HB2 LYS 4 9.067 -6.359 -6.335
21 HB3 LYS 4 HB3 LYS 4 8.892 -7.666 -7.523
22 HG2 LYS 4 HG2 LYS 4 10.091 -5.739 -8.444
23 HG3 LYS 4 HG3 LYS 4 8.562 -6.042 -9.304
24 HD2 LYS 4 HD2 LYS 4 7.481 -4.221 -8.187
25 HD3 LYS 4 HD3 LYS 4 8.850 -4.022 -7.065
26 HE2 LYS 4 HE2 LYS 4 10.286 -3.284 -8.862
27 HE3 LYS 4 HE3 LYS 4 9.025 -3.641 -10.068
28 HZ1 LYS 4 HZ1 LYS 4 8.883 -1.356 -9.728
29 HZ2 LYS 4 HZ2 LYS 4 9.090 -1.472 -8.053
30 HZ3 LYS 4 HZ3 LYS 4 7.634 -1.964 -8.761
31 H GLY 5 H GLY 5 7.108 -8.416 -8.879
32 HA2 GLY 5 HA2 GLY 5 5.801 -10.472 -7.123
33 HA3 GLY 5 HA3 GLY 5 5.490 -10.326 -8.864
34 H PHE 6 H PHE 6 6.271 -12.078 -9.820
35 HA PHE 6 HA PHE 6 8.996 -12.985 -8.980
36 HB2 PHE 6 HB2 PHE 6 7.395 -14.730 -8.584
37 HB3 PHE 6 HB3 PHE 6 6.657 -14.503 -10.185
38 HD1 PHE 6 HD1 PHE 6 10.179 -14.957 -9.005
39 HD2 PHE 6 HD2 PHE 6 7.023 -16.335 -11.505
40 HE1 PHE 6 HE1 PHE 6 11.671 -16.680 -9.930
41 HE2 PHE 6 HE2 PHE 6 8.510 -18.062 -12.434
42 HZ PHE 6 HZ PHE 6 10.836 -18.238 -11.647
43 H TRP 7 H TRP 7 6.890 -12.124 -11.677
44 HA TRP 7 HA TRP 7 9.156 -12.544 -13.560
45 HB2 TRP 7 HB2 TRP 7 6.671 -13.344 -13.925
46 HB3 TRP 7 HB3 TRP 7 6.406 -11.656 -14.411
47 HD1 TRP 7 HD1 TRP 7 7.131 -10.990 -16.812
48 HE1 TRP 7 HE1 TRP 7 8.252 -12.213 -18.810
49 HE3 TRP 7 HE3 TRP 7 8.508 -15.277 -14.388
50 HZ2 TRP 7 HZ2 TRP 7 9.541 -14.696 -19.232
51 HZ3 TRP 7 HZ3 TRP 7 9.680 -17.025 -15.661
52 HH2 TRP 7 HH2 TRP 7 10.186 -16.741 -18.033
53 H LYS 8 H LYS 8 7.670 -10.135 -11.705
54 HA LYS 8 HA LYS 8 7.712 -7.876 -13.377
55 HB2 LYS 8 HB2 LYS 8 8.237 -8.234 -10.418
56 HB3 LYS 8 HB3 LYS 8 8.278 -6.633 -11.180
57 HG2 LYS 8 HG2 LYS 8 5.916 -8.526 -11.246
58 HG3 LYS 8 HG3 LYS 8 6.109 -7.161 -10.118
59 HD2 LYS 8 HD2 LYS 8 6.247 -5.625 -12.069
60 HD3 LYS 8 HD3 LYS 8 5.936 -7.009 -13.144
61 HE2 LYS 8 HE2 LYS 8 4.035 -6.528 -10.890
62 HE3 LYS 8 HE3 LYS 8 3.987 -5.410 -12.275
63 HZ1 LYS 8 HZ1 LYS 8 3.848 -8.366 -12.562
64 HZ2 LYS 8 HZ2 LYS 8 3.530 -7.196 -13.743
65 HZ3 LYS 8 HZ3 LYS 8 2.477 -7.384 -12.431
66 H SER 9 H SER 9 9.290 -5.975 -13.060
67 HA SER 9 HA SER 9 12.038 -7.078 -13.465
68 HB2 SER 9 HB2 SER 9 12.441 -4.920 -14.720
69 HB3 SER 9 HB3 SER 9 11.227 -5.992 -15.461
70 HG SER 9 HG SER 9 10.501 -3.904 -13.660
71 H CYS 10 H CYS 10 13.348 -6.821 -11.799
72 HA CYS 10 HA CYS 10 13.101 -4.281 -10.236
73 HB2 CYS 10 HB2 CYS 10 13.643 -5.460 -8.220
74 HB3 CYS 10 HB3 CYS 10 12.334 -6.362 -9.014
75 H VAL 11 H VAL 11 15.082 -3.547 -9.194
76 HA VAL 11 HA VAL 11 17.433 -4.211 -10.908
77 HB VAL 11 HB VAL 11 18.365 -2.040 -9.976
78 HG11 VAL 11 HG11 VAL 11 16.532 -0.671 -11.342
79 HG12 VAL 11 HG12 VAL 11 17.687 -1.766 -12.142
80 HG13 VAL 11 HG13 VAL 11 16.025 -2.312 -11.811
81 HG21 VAL 11 HG21 VAL 11 15.490 -1.598 -9.116
82 HG22 VAL 11 HG22 VAL 11 16.833 -1.964 -8.005
83 HG23 VAL 11 HG23 VAL 11 16.850 -0.461 -8.957
84 HA PRO 12 HA PRO 12 19.662 -5.991 -7.561
85 HB2 PRO 12 HB2 PRO 12 22.205 -5.199 -8.145
86 HB3 PRO 12 HB3 PRO 12 21.335 -6.441 -9.082
87 HG2 PRO 12 HG2 PRO 12 21.742 -3.519 -9.691
88 HG3 PRO 12 HG3 PRO 12 21.855 -4.932 -10.784
89 HD2 PRO 12 HD2 PRO 12 19.666 -3.318 -10.691
90 HD3 PRO 12 HD3 PRO 12 19.562 -5.070 -11.053
91 H GLY 13 H GLY 13 19.810 -5.429 -5.491
92 HA2 GLY 13 HA2 GLY 13 20.917 -4.134 -3.761
93 HA3 GLY 13 HA3 GLY 13 20.978 -2.749 -4.867
94 H LYS 14 H LYS 14 18.089 -3.503 -5.647
95 HA LYS 14 HA LYS 14 16.885 -1.852 -3.506
96 HB2 LYS 14 HB2 LYS 14 16.058 -2.662 -6.297
97 HB3 LYS 14 HB3 LYS 14 14.869 -2.001 -5.157
98 HG2 LYS 14 HG2 LYS 14 16.663 -0.095 -4.878
99 HG3 LYS 14 HG3 LYS 14 17.205 -0.675 -6.471
100 HD2 LYS 14 HD2 LYS 14 14.838 -0.429 -7.276
101 HD3 LYS 14 HD3 LYS 14 14.449 0.338 -5.716
102 HE2 LYS 14 HE2 LYS 14 16.697 1.352 -7.451
103 HE3 LYS 14 HE3 LYS 14 15.013 1.853 -7.731
104 HZ1 LYS 14 HZ1 LYS 14 15.088 3.221 -5.993
105 HZ2 LYS 14 HZ2 LYS 14 16.766 2.999 -5.977
106 HZ3 LYS 14 HZ3 LYS 14 15.778 2.060 -4.974
107 H ASN 15 H ASN 15 16.210 -4.915 -5.251
108 HA ASN 15 HA ASN 15 15.088 -6.802 -4.582
109 HB2 ASN 15 HB2 ASN 15 16.741 -6.485 -2.611
110 HB3 ASN 15 HB3 ASN 15 15.333 -5.892 -1.704
111 HD21 ASN 15 HD21 ASN 15 16.057 -8.562 -3.973
112 HD22 ASN 15 HD22 ASN 15 15.313 -9.840 -2.948
113 H GLU 16 H GLU 16 13.461 -4.862 -5.466
114 HA GLU 16 HA GLU 16 11.437 -4.013 -3.642
115 HB2 GLU 16 HB2 GLU 16 11.012 -4.579 -6.590
116 HB3 GLU 16 HB3 GLU 16 10.167 -3.399 -5.571
117 HG2 GLU 16 HG2 GLU 16 12.532 -2.347 -5.276
118 HG3 GLU 16 HG3 GLU 16 12.929 -3.279 -6.738
119 H CYS 17 H CYS 17 12.032 -7.041 -5.261
120 HA CYS 17 HA CYS 17 9.473 -8.173 -5.340
121 HB2 CYS 17 HB2 CYS 17 12.068 -9.557 -4.555
122 HB3 CYS 17 HB3 CYS 17 10.597 -10.355 -5.151
123 H CYS 18 H CYS 18 8.304 -9.562 -3.943
124 HA CYS 18 HA CYS 18 8.112 -8.585 -1.267
125 HB2 CYS 18 HB2 CYS 18 7.071 -11.213 -2.392
126 HB3 CYS 18 HB3 CYS 18 6.496 -10.392 -0.925
127 H SER 19 H SER 19 8.295 -9.870 0.726
128 HA SER 19 HA SER 19 10.917 -10.755 1.159
129 HB2 SER 19 HB2 SER 19 9.067 -10.133 2.861
130 HB3 SER 19 HB3 SER 19 8.572 -11.838 2.743
131 HG SER 19 HG SER 19 10.067 -11.462 4.465
132 H GLY 20 H GLY 20 12.027 -12.606 0.939
133 HA2 GLY 20 HA2 GLY 20 12.162 -15.015 0.878
134 HA3 GLY 20 HA3 GLY 20 10.475 -15.082 0.335
135 H TYR 21 H TYR 21 11.255 -12.733 -1.541
136 HA TYR 21 HA TYR 21 12.134 -14.547 -3.718
137 HB2 TYR 21 HB2 TYR 21 10.895 -11.772 -3.719
138 HB3 TYR 21 HB3 TYR 21 11.452 -12.600 -5.190
139 HD1 TYR 21 HD2 TYR 21 9.214 -13.171 -2.241
140 HD2 TYR 21 HD1 TYR 21 9.932 -13.873 -6.376
141 HE1 TYR 21 HE2 TYR 21 7.040 -14.307 -2.420
142 HE2 TYR 21 HE1 TYR 21 7.758 -15.009 -6.566
143 HH TYR 21 HH TYR 21 5.717 -15.574 -3.710
144 H ALA 22 H ALA 22 13.824 -14.046 -5.144
145 HA ALA 22 HA ALA 22 15.825 -12.173 -3.948
146 HB1 ALA 22 HB1 ALA 22 16.216 -14.767 -4.279
147 HB2 ALA 22 HB2 ALA 22 16.607 -14.265 -5.941
148 HB3 ALA 22 HB3 ALA 22 17.521 -13.591 -4.569
149 H CYS 23 H CYS 23 17.368 -11.199 -5.547
150 HA CYS 23 HA CYS 23 15.850 -10.418 -8.005
151 HB2 CYS 23 HB2 CYS 23 17.219 -8.841 -5.935
152 HB3 CYS 23 HB3 CYS 23 17.732 -8.419 -7.582
153 H SER 24 H SER 24 16.827 -10.531 -9.951
154 HA SER 24 HA SER 24 19.691 -11.400 -9.935
155 HB2 SER 24 HB2 SER 24 17.518 -12.915 -10.765
156 HB3 SER 24 HB3 SER 24 18.119 -12.218 -12.287
157 HG SER 24 HG SER 24 19.149 -14.218 -11.756
158 H SER 25 H SER 25 20.895 -9.774 -10.636
159 HA SER 25 HA SER 25 19.841 -7.688 -12.334
160 HB2 SER 25 HB2 SER 25 21.942 -6.663 -12.111
161 HB3 SER 25 HB3 SER 25 21.808 -7.616 -10.613
162 HG SER 25 HG SER 25 23.856 -7.874 -11.655
163 H ARG 26 H ARG 26 21.301 -10.775 -12.896
164 HA ARG 26 HA ARG 26 22.548 -10.423 -15.375
165 HB2 ARG 26 HB2 ARG 26 22.213 -12.545 -13.867
166 HB3 ARG 26 HB3 ARG 26 20.782 -12.818 -14.881
167 HG2 ARG 26 HG2 ARG 26 23.444 -12.311 -16.170
168 HG3 ARG 26 HG3 ARG 26 23.071 -13.917 -15.494
169 HD2 ARG 26 HD2 ARG 26 21.009 -13.978 -16.872
170 HD3 ARG 26 HD3 ARG 26 21.470 -12.414 -17.588
171 HE ARG 26 HE ARG 26 22.526 -15.040 -18.249
172 HH11 ARG 26 HH11 ARG 26 23.215 -11.580 -18.132
173 HH12 ARG 26 HH12 ARG 26 24.441 -11.657 -19.403
174 HH21 ARG 26 HH21 ARG 26 24.108 -15.133 -19.888
175 HH22 ARG 26 HH22 ARG 26 24.944 -13.661 -20.393
176 H ASP 27 H ASP 27 19.091 -11.062 -14.705
177 HA ASP 27 HA ASP 27 18.536 -10.230 -17.527
178 HB2 ASP 27 HB2 ASP 27 17.621 -12.502 -15.951
179 HB3 ASP 27 HB3 ASP 27 16.249 -11.527 -16.522
180 H LYS 28 H LYS 28 18.454 -9.195 -14.391
181 HA LYS 28 HA LYS 28 17.358 -7.492 -13.313
182 HB2 LYS 28 HB2 LYS 28 16.871 -6.811 -16.209
183 HB3 LYS 28 HB3 LYS 28 16.101 -5.845 -14.934
184 HG2 LYS 28 HG2 LYS 28 18.362 -5.441 -13.957
185 HG3 LYS 28 HG3 LYS 28 19.066 -6.275 -15.365
186 HD2 LYS 28 HD2 LYS 28 19.174 -3.997 -15.923
187 HD3 LYS 28 HD3 LYS 28 17.736 -4.593 -16.786
188 HE2 LYS 28 HE2 LYS 28 16.519 -3.848 -14.552
189 HE3 LYS 28 HE3 LYS 28 17.939 -2.784 -14.410
190 HZ1 LYS 28 HZ1 LYS 28 17.421 -1.754 -16.457
191 HZ2 LYS 28 HZ2 LYS 28 15.968 -1.818 -15.595
192 HZ3 LYS 28 HZ3 LYS 28 16.253 -2.911 -16.854
193 H TRP 29 H TRP 29 16.051 -9.768 -12.999
194 HA TRP 29 HA TRP 29 13.209 -8.895 -13.156
195 HB2 TRP 29 HB2 TRP 29 12.570 -11.287 -13.659
196 HB3 TRP 29 HB3 TRP 29 13.406 -10.445 -14.985
197 HD1 TRP 29 HD1 TRP 29 15.689 -11.627 -12.236
198 HE1 TRP 29 HE1 TRP 29 17.047 -13.697 -13.019
199 HE3 TRP 29 HE3 TRP 29 13.125 -12.617 -16.547
200 HZ2 TRP 29 HZ2 TRP 29 16.981 -15.482 -15.212
201 HZ3 TRP 29 HZ3 TRP 29 13.836 -14.523 -17.931
202 HH2 TRP 29 HH2 TRP 29 15.724 -15.925 -17.275
203 H CYS 30 H CYS 30 11.915 -10.853 -11.903
204 HA CYS 30 HA CYS 30 13.148 -10.766 -9.204
205 HB2 CYS 30 HB2 CYS 30 10.355 -11.070 -10.271
206 HB3 CYS 30 HB3 CYS 30 10.732 -11.736 -8.669
207 H LYS 31 H LYS 31 12.871 -12.669 -7.777
208 HA LYS 31 HA LYS 31 12.880 -15.239 -9.282
209 HB2 LYS 31 HB2 LYS 31 14.958 -14.559 -7.173
210 HB3 LYS 31 HB3 LYS 31 14.891 -16.002 -8.204
211 HG2 LYS 31 HG2 LYS 31 15.271 -13.193 -9.260
212 HG3 LYS 31 HG3 LYS 31 16.607 -14.303 -8.868
213 HD2 LYS 31 HD2 LYS 31 14.533 -15.494 -10.580
214 HD3 LYS 31 HD3 LYS 31 15.359 -14.097 -11.313
215 HE2 LYS 31 HE2 LYS 31 16.862 -15.670 -11.943
216 HE3 LYS 31 HE3 LYS 31 17.486 -15.419 -10.295
217 HZ1 LYS 31 HZ1 LYS 31 15.934 -17.277 -9.623
218 HZ2 LYS 31 HZ2 LYS 31 17.263 -17.728 -10.567
219 HZ3 LYS 31 HZ3 LYS 31 15.729 -17.605 -11.270
220 H VAL 32 H VAL 32 12.274 -17.062 -8.093
221 HA VAL 32 HA VAL 32 11.273 -16.481 -5.336
222 HB VAL 32 HB VAL 32 9.379 -16.458 -6.935
223 HG11 VAL 32 HG11 VAL 32 10.719 -18.432 -8.259
224 HG12 VAL 32 HG12 VAL 32 9.469 -19.369 -7.403
225 HG13 VAL 32 HG13 VAL 32 8.999 -18.041 -8.492
226 HG21 VAL 32 HG21 VAL 32 7.941 -17.737 -5.609
227 HG22 VAL 32 HG22 VAL 32 9.171 -18.985 -5.305
228 HG23 VAL 32 HG23 VAL 32 9.308 -17.393 -4.523
229 H LEU 33 H LEU 33 11.762 -17.953 -3.828
230 HA LEU 33 HA LEU 33 13.625 -20.035 -4.441
231 HB2 LEU 33 HB2 LEU 33 11.884 -19.659 -1.987
232 HB3 LEU 33 HB3 LEU 33 13.306 -20.722 -2.101
233 HG LEU 33 HG LEU 33 13.618 -17.786 -2.638
234 HD11 LEU 33 HD11 LEU 33 13.870 -17.268 -0.330
235 HD12 LEU 33 HD12 LEU 33 13.688 -18.975 0.142
236 HD13 LEU 33 HD13 LEU 33 12.295 -18.081 -0.509
237 HD21 LEU 33 HD21 LEU 33 15.309 -20.023 -2.513
238 HD22 LEU 33 HD22 LEU 33 15.622 -19.107 -1.021
239 HD23 LEU 33 HD23 LEU 33 15.783 -18.309 -2.605
240 H LEU 34 H LEU 34 13.437 -22.269 -4.476
241 HA LEU 34 HA LEU 34 10.632 -23.244 -4.853
242 HB2 LEU 34 HB2 LEU 34 11.881 -25.074 -6.228
243 HB3 LEU 34 HB3 LEU 34 11.547 -23.484 -6.951
244 HG LEU 34 HG LEU 34 13.879 -22.805 -6.484
245 HD11 LEU 34 HD11 LEU 34 15.520 -24.488 -5.797
246 HD12 LEU 34 HD12 LEU 34 14.213 -25.677 -5.573
247 HD13 LEU 34 HD13 LEU 34 14.286 -24.232 -4.538
248 HD21 LEU 34 HD21 LEU 34 14.446 -23.589 -8.495
249 HD22 LEU 34 HD22 LEU 34 12.929 -24.518 -8.466
250 HD23 LEU 34 HD23 LEU 34 14.446 -25.273 -7.919
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 0.505 0.181 0.270
2 H2 ALA 1 H2 ALA 1 1.599 -1.071 0.613
3 H3 ALA 1 H3 ALA 1 2.085 0.547 0.775
4 HA ALA 1 HA ALA 1 1.158 0.346 -1.770
5 HB1 ALA 1 HB1 ALA 1 4.027 0.252 -0.798
6 HB2 ALA 1 HB2 ALA 1 3.446 0.839 -2.374
7 HB3 ALA 1 HB3 ALA 1 3.030 1.723 -0.887
8 H GLU 2 H GLU 2 1.582 -0.985 -3.530
9 HA GLU 2 HA GLU 2 1.669 -3.804 -2.898
10 HB2 GLU 2 HB2 GLU 2 1.566 -2.165 -5.421
11 HB3 GLU 2 HB3 GLU 2 1.936 -3.898 -5.522
12 HG2 GLU 2 HG2 GLU 2 -0.335 -3.927 -5.787
13 HG3 GLU 2 HG3 GLU 2 -0.207 -4.137 -4.025
14 H CYS 3 H CYS 3 3.174 -5.352 -3.928
15 HA CYS 3 HA CYS 3 5.935 -4.211 -4.074
16 HB2 CYS 3 HB2 CYS 3 6.788 -6.166 -2.905
17 HB3 CYS 3 HB3 CYS 3 5.527 -5.398 -1.918
18 H LYS 4 H LYS 4 7.486 -5.530 -5.269
19 HA LYS 4 HA LYS 4 6.541 -6.209 -7.835
20 HB2 LYS 4 HB2 LYS 4 9.061 -6.425 -6.338
21 HB3 LYS 4 HB3 LYS 4 8.866 -7.702 -7.556
22 HG2 LYS 4 HG2 LYS 4 10.066 -5.752 -8.437
23 HG3 LYS 4 HG3 LYS 4 8.530 -6.036 -9.293
24 HD2 LYS 4 HD2 LYS 4 7.453 -4.264 -8.038
25 HD3 LYS 4 HD3 LYS 4 8.913 -4.036 -7.046
26 HE2 LYS 4 HE2 LYS 4 10.163 -3.266 -8.956
27 HE3 LYS 4 HE3 LYS 4 8.823 -3.673 -10.054
28 HZ1 LYS 4 HZ1 LYS 4 7.541 -2.027 -8.483
29 HZ2 LYS 4 HZ2 LYS 4 8.475 -1.452 -9.771
30 HZ3 LYS 4 HZ3 LYS 4 9.092 -1.415 -8.196
31 H GLY 5 H GLY 5 7.069 -8.454 -8.869
32 HA2 GLY 5 HA2 GLY 5 5.771 -10.506 -7.103
33 HA3 GLY 5 HA3 GLY 5 5.455 -10.363 -8.842
34 H PHE 6 H PHE 6 6.243 -12.094 -9.824
35 HA PHE 6 HA PHE 6 8.967 -13.007 -8.987
36 HB2 PHE 6 HB2 PHE 6 7.367 -14.752 -8.573
37 HB3 PHE 6 HB3 PHE 6 6.624 -14.534 -10.173
38 HD1 PHE 6 HD1 PHE 6 10.173 -14.923 -9.067
39 HD2 PHE 6 HD2 PHE 6 6.964 -16.429 -11.420
40 HE1 PHE 6 HE1 PHE 6 11.665 -16.649 -9.988
41 HE2 PHE 6 HE2 PHE 6 8.449 -18.158 -12.344
42 HZ PHE 6 HZ PHE 6 10.803 -18.271 -11.628
43 H TRP 7 H TRP 7 6.845 -12.145 -11.669
44 HA TRP 7 HA TRP 7 9.141 -12.506 -13.540
45 HB2 TRP 7 HB2 TRP 7 7.433 -12.337 -15.338
46 HB3 TRP 7 HB3 TRP 7 7.102 -13.670 -14.210
47 HD1 TRP 7 HD1 TRP 7 5.683 -10.360 -15.443
48 HE1 TRP 7 HE1 TRP 7 3.276 -10.044 -14.521
49 HE3 TRP 7 HE3 TRP 7 5.615 -14.281 -12.162
50 HZ2 TRP 7 HZ2 TRP 7 1.617 -11.339 -12.630
51 HZ3 TRP 7 HZ3 TRP 7 3.580 -14.674 -10.834
52 HH2 TRP 7 HH2 TRP 7 1.623 -13.232 -11.065
53 H LYS 8 H LYS 8 7.950 -10.202 -11.586
54 HA LYS 8 HA LYS 8 7.646 -7.957 -13.354
55 HB2 LYS 8 HB2 LYS 8 8.192 -8.284 -10.402
56 HB3 LYS 8 HB3 LYS 8 8.244 -6.678 -11.153
57 HG2 LYS 8 HG2 LYS 8 5.877 -8.565 -11.214
58 HG3 LYS 8 HG3 LYS 8 6.065 -7.170 -10.123
59 HD2 LYS 8 HD2 LYS 8 6.352 -5.771 -12.261
60 HD3 LYS 8 HD3 LYS 8 5.717 -7.193 -13.125
61 HE2 LYS 8 HE2 LYS 8 3.807 -5.918 -12.740
62 HE3 LYS 8 HE3 LYS 8 3.783 -7.087 -11.399
63 HZ1 LYS 8 HZ1 LYS 8 3.529 -5.255 -10.157
64 HZ2 LYS 8 HZ2 LYS 8 4.136 -4.211 -11.341
65 HZ3 LYS 8 HZ3 LYS 8 5.199 -5.065 -10.341
66 H SER 9 H SER 9 9.146 -5.950 -12.961
67 HA SER 9 HA SER 9 11.920 -6.915 -13.520
68 HB2 SER 9 HB2 SER 9 10.477 -4.378 -14.391
69 HB3 SER 9 HB3 SER 9 12.198 -4.711 -14.699
70 HG SER 9 HG SER 9 10.844 -5.296 -16.480
71 H CYS 10 H CYS 10 13.376 -6.590 -11.997
72 HA CYS 10 HA CYS 10 13.101 -4.144 -10.307
73 HB2 CYS 10 HB2 CYS 10 13.649 -5.362 -8.316
74 HB3 CYS 10 HB3 CYS 10 12.323 -6.237 -9.111
75 H VAL 11 H VAL 11 15.152 -3.615 -9.129
76 HA VAL 11 HA VAL 11 17.463 -4.240 -10.925
77 HB VAL 11 HB VAL 11 18.432 -2.087 -9.926
78 HG11 VAL 11 HG11 VAL 11 16.203 -2.343 -11.890
79 HG12 VAL 11 HG12 VAL 11 16.677 -0.701 -11.389
80 HG13 VAL 11 HG13 VAL 11 17.879 -1.791 -12.120
81 HG21 VAL 11 HG21 VAL 11 15.630 -1.206 -9.407
82 HG22 VAL 11 HG22 VAL 11 16.430 -2.193 -8.161
83 HG23 VAL 11 HG23 VAL 11 17.158 -0.655 -8.682
84 HA PRO 12 HA PRO 12 19.675 -6.072 -7.596
85 HB2 PRO 12 HB2 PRO 12 22.228 -5.300 -8.165
86 HB3 PRO 12 HB3 PRO 12 21.347 -6.522 -9.119
87 HG2 PRO 12 HG2 PRO 12 21.785 -3.597 -9.692
88 HG3 PRO 12 HG3 PRO 12 21.885 -4.999 -10.802
89 HD2 PRO 12 HD2 PRO 12 19.713 -3.363 -10.693
90 HD3 PRO 12 HD3 PRO 12 19.592 -5.109 -11.076
91 H GLY 13 H GLY 13 19.818 -5.534 -5.520
92 HA2 GLY 13 HA2 GLY 13 20.939 -4.271 -3.773
93 HA3 GLY 13 HA3 GLY 13 21.015 -2.873 -4.862
94 H LYS 14 H LYS 14 18.120 -3.585 -5.656
95 HA LYS 14 HA LYS 14 16.928 -1.948 -3.502
96 HB2 LYS 14 HB2 LYS 14 16.048 -2.764 -6.280
97 HB3 LYS 14 HB3 LYS 14 14.916 -2.025 -5.131
98 HG2 LYS 14 HG2 LYS 14 16.795 -0.196 -4.928
99 HG3 LYS 14 HG3 LYS 14 17.282 -0.833 -6.518
100 HD2 LYS 14 HD2 LYS 14 14.933 -0.490 -7.302
101 HD3 LYS 14 HD3 LYS 14 14.576 0.294 -5.744
102 HE2 LYS 14 HE2 LYS 14 16.814 1.215 -7.556
103 HE3 LYS 14 HE3 LYS 14 15.147 1.819 -7.713
104 HZ1 LYS 14 HZ1 LYS 14 16.526 3.270 -6.336
105 HZ2 LYS 14 HZ2 LYS 14 16.816 2.004 -5.253
106 HZ3 LYS 14 HZ3 LYS 14 15.249 2.613 -5.440
107 H ASN 15 H ASN 15 16.214 -4.989 -5.269
108 HA ASN 15 HA ASN 15 15.087 -6.876 -4.604
109 HB2 ASN 15 HB2 ASN 15 16.737 -6.659 -2.662
110 HB3 ASN 15 HB3 ASN 15 15.407 -5.929 -1.737
111 HD21 ASN 15 HD21 ASN 15 16.273 -7.960 -0.502
112 HD22 ASN 15 HD22 ASN 15 15.294 -9.441 -0.780
113 H GLU 16 H GLU 16 13.498 -4.846 -5.450
114 HA GLU 16 HA GLU 16 11.474 -4.014 -3.639
115 HB2 GLU 16 HB2 GLU 16 11.069 -4.574 -6.594
116 HB3 GLU 16 HB3 GLU 16 10.194 -3.413 -5.578
117 HG2 GLU 16 HG2 GLU 16 12.335 -2.159 -5.283
118 HG3 GLU 16 HG3 GLU 16 13.081 -3.261 -6.464
119 H CYS 17 H CYS 17 12.043 -7.051 -5.248
120 HA CYS 17 HA CYS 17 9.475 -8.160 -5.331
121 HB2 CYS 17 HB2 CYS 17 12.034 -9.586 -4.506
122 HB3 CYS 17 HB3 CYS 17 10.567 -10.345 -5.163
123 H CYS 18 H CYS 18 8.331 -9.597 -3.928
124 HA CYS 18 HA CYS 18 8.111 -8.584 -1.262
125 HB2 CYS 18 HB2 CYS 18 7.079 -11.216 -2.388
126 HB3 CYS 18 HB3 CYS 18 6.504 -10.406 -0.915
127 H SER 19 H SER 19 8.279 -9.867 0.739
128 HA SER 19 HA SER 19 10.902 -10.735 1.197
129 HB2 SER 19 HB2 SER 19 9.160 -10.104 2.928
130 HB3 SER 19 HB3 SER 19 8.465 -11.730 2.722
131 HG SER 19 HG SER 19 9.966 -11.617 4.477
132 H GLY 20 H GLY 20 12.033 -12.565 0.961
133 HA2 GLY 20 HA2 GLY 20 12.197 -14.973 0.900
134 HA3 GLY 20 HA3 GLY 20 10.511 -15.060 0.358
135 H TYR 21 H TYR 21 11.236 -12.711 -1.526
136 HA TYR 21 HA TYR 21 12.163 -14.511 -3.696
137 HB2 TYR 21 HB2 TYR 21 10.850 -11.769 -3.714
138 HB3 TYR 21 HB3 TYR 21 11.420 -12.599 -5.178
139 HD1 TYR 21 HD2 TYR 21 9.220 -13.206 -2.207
140 HD2 TYR 21 HD1 TYR 21 9.916 -13.907 -6.346
141 HE1 TYR 21 HE2 TYR 21 7.072 -14.395 -2.361
142 HE2 TYR 21 HE1 TYR 21 7.770 -15.096 -6.512
143 HH TYR 21 HH TYR 21 5.769 -15.699 -3.635
144 H ALA 22 H ALA 22 13.859 -14.007 -5.090
145 HA ALA 22 HA ALA 22 15.787 -12.038 -3.932
146 HB1 ALA 22 HB1 ALA 22 17.418 -13.541 -4.194
147 HB2 ALA 22 HB2 ALA 22 16.129 -14.737 -4.471
148 HB3 ALA 22 HB3 ALA 22 16.906 -13.929 -5.854
149 H CYS 23 H CYS 23 17.324 -11.073 -5.547
150 HA CYS 23 HA CYS 23 15.806 -10.406 -8.040
151 HB2 CYS 23 HB2 CYS 23 17.131 -8.733 -6.011
152 HB3 CYS 23 HB3 CYS 23 17.625 -8.346 -7.672
153 H SER 24 H SER 24 16.802 -10.547 -9.975
154 HA SER 24 HA SER 24 19.677 -11.380 -9.908
155 HB2 SER 24 HB2 SER 24 17.517 -12.899 -10.775
156 HB3 SER 24 HB3 SER 24 18.156 -12.210 -12.287
157 HG SER 24 HG SER 24 19.169 -14.210 -11.719
158 H SER 25 H SER 25 20.903 -9.776 -10.614
159 HA SER 25 HA SER 25 19.875 -7.680 -12.318
160 HB2 SER 25 HB2 SER 25 21.907 -6.634 -11.973
161 HB3 SER 25 HB3 SER 25 21.901 -7.747 -10.583
162 HG SER 25 HG SER 25 23.892 -7.797 -11.760
163 H ARG 26 H ARG 26 21.319 -10.779 -12.870
164 HA ARG 26 HA ARG 26 22.579 -10.436 -15.345
165 HB2 ARG 26 HB2 ARG 26 22.198 -12.556 -13.821
166 HB3 ARG 26 HB3 ARG 26 20.806 -12.827 -14.889
167 HG2 ARG 26 HG2 ARG 26 22.139 -13.180 -16.756
168 HG3 ARG 26 HG3 ARG 26 23.536 -12.334 -16.046
169 HD2 ARG 26 HD2 ARG 26 22.422 -14.941 -14.977
170 HD3 ARG 26 HD3 ARG 26 23.739 -14.847 -16.171
171 HE ARG 26 HE ARG 26 24.507 -13.204 -14.038
172 HH11 ARG 26 HH11 ARG 26 23.704 -16.600 -14.572
173 HH12 ARG 26 HH12 ARG 26 24.772 -17.180 -13.291
174 HH21 ARG 26 HH21 ARG 26 25.885 -13.960 -12.385
175 HH22 ARG 26 HH22 ARG 26 26.001 -15.692 -12.056
176 H ASP 27 H ASP 27 19.117 -11.059 -14.689
177 HA ASP 27 HA ASP 27 18.578 -10.227 -17.514
178 HB2 ASP 27 HB2 ASP 27 17.651 -12.497 -15.943
179 HB3 ASP 27 HB3 ASP 27 16.282 -11.516 -16.511
180 H LYS 28 H LYS 28 18.498 -9.176 -14.388
181 HA LYS 28 HA LYS 28 17.405 -7.466 -13.316
182 HB2 LYS 28 HB2 LYS 28 16.914 -6.800 -16.215
183 HB3 LYS 28 HB3 LYS 28 16.149 -5.827 -14.945
184 HG2 LYS 28 HG2 LYS 28 18.531 -5.610 -13.971
185 HG3 LYS 28 HG3 LYS 28 19.071 -6.166 -15.574
186 HD2 LYS 28 HD2 LYS 28 18.296 -4.266 -16.643
187 HD3 LYS 28 HD3 LYS 28 17.086 -3.923 -15.383
188 HE2 LYS 28 HE2 LYS 28 18.610 -2.303 -14.868
189 HE3 LYS 28 HE3 LYS 28 19.276 -3.635 -13.894
190 HZ1 LYS 28 HZ1 LYS 28 21.132 -2.949 -15.002
191 HZ2 LYS 28 HZ2 LYS 28 20.292 -2.455 -16.385
192 HZ3 LYS 28 HZ3 LYS 28 20.577 -4.100 -16.109
193 H TRP 29 H TRP 29 16.096 -9.745 -13.000
194 HA TRP 29 HA TRP 29 13.255 -8.865 -13.145
195 HB2 TRP 29 HB2 TRP 29 12.605 -11.249 -13.654
196 HB3 TRP 29 HB3 TRP 29 13.444 -10.411 -14.978
197 HD1 TRP 29 HD1 TRP 29 15.735 -11.597 -12.244
198 HE1 TRP 29 HE1 TRP 29 17.075 -13.679 -13.029
199 HE3 TRP 29 HE3 TRP 29 13.131 -12.594 -16.531
200 HZ2 TRP 29 HZ2 TRP 29 16.983 -15.474 -15.213
201 HZ3 TRP 29 HZ3 TRP 29 13.821 -14.511 -17.911
202 HH2 TRP 29 HH2 TRP 29 15.708 -15.920 -17.265
203 H CYS 30 H CYS 30 11.961 -10.826 -11.894
204 HA CYS 30 HA CYS 30 13.198 -10.742 -9.198
205 HB2 CYS 30 HB2 CYS 30 10.406 -11.058 -10.265
206 HB3 CYS 30 HB3 CYS 30 10.787 -11.730 -8.664
207 H LYS 31 H LYS 31 12.809 -12.673 -7.767
208 HA LYS 31 HA LYS 31 12.866 -15.231 -9.274
209 HB2 LYS 31 HB2 LYS 31 14.959 -14.550 -7.184
210 HB3 LYS 31 HB3 LYS 31 14.883 -15.997 -8.207
211 HG2 LYS 31 HG2 LYS 31 15.260 -13.193 -9.278
212 HG3 LYS 31 HG3 LYS 31 16.595 -14.307 -8.891
213 HD2 LYS 31 HD2 LYS 31 14.516 -15.514 -10.576
214 HD3 LYS 31 HD3 LYS 31 15.309 -14.108 -11.326
215 HE2 LYS 31 HE2 LYS 31 16.829 -15.651 -11.974
216 HE3 LYS 31 HE3 LYS 31 17.469 -15.401 -10.333
217 HZ1 LYS 31 HZ1 LYS 31 17.204 -17.592 -10.120
218 HZ2 LYS 31 HZ2 LYS 31 16.200 -17.719 -11.474
219 HZ3 LYS 31 HZ3 LYS 31 15.547 -17.285 -9.974
220 H VAL 32 H VAL 32 12.292 -17.063 -8.069
221 HA VAL 32 HA VAL 32 11.290 -16.473 -5.315
222 HB VAL 32 HB VAL 32 9.392 -16.477 -6.909
223 HG11 VAL 32 HG11 VAL 32 9.429 -19.369 -7.376
224 HG12 VAL 32 HG12 VAL 32 9.089 -18.030 -8.499
225 HG13 VAL 32 HG13 VAL 32 10.771 -18.512 -8.170
226 HG21 VAL 32 HG21 VAL 32 7.968 -17.780 -5.580
227 HG22 VAL 32 HG22 VAL 32 9.227 -18.995 -5.254
228 HG23 VAL 32 HG23 VAL 32 9.324 -17.390 -4.494
229 H LEU 33 H LEU 33 11.792 -17.931 -3.798
230 HA LEU 33 HA LEU 33 13.682 -19.991 -4.389
231 HB2 LEU 33 HB2 LEU 33 11.910 -19.683 -1.948
232 HB3 LEU 33 HB3 LEU 33 13.391 -20.660 -2.058
233 HG LEU 33 HG LEU 33 13.514 -17.701 -2.564
234 HD11 LEU 33 HD11 LEU 33 12.384 -17.645 -0.512
235 HD12 LEU 33 HD12 LEU 33 14.106 -17.544 -0.071
236 HD13 LEU 33 HD13 LEU 33 13.234 -19.085 0.100
237 HD21 LEU 33 HD21 LEU 33 15.624 -18.398 -2.903
238 HD22 LEU 33 HD22 LEU 33 15.354 -19.943 -2.060
239 HD23 LEU 33 HD23 LEU 33 15.712 -18.471 -1.126
240 H LEU 34 H LEU 34 13.526 -22.227 -4.421
241 HA LEU 34 HA LEU 34 10.826 -23.201 -5.183
242 HB2 LEU 34 HB2 LEU 34 11.915 -25.022 -6.238
243 HB3 LEU 34 HB3 LEU 34 12.846 -23.562 -6.645
244 HG LEU 34 HG LEU 34 14.286 -24.365 -4.544
245 HD11 LEU 34 HD11 LEU 34 12.481 -26.461 -4.749
246 HD12 LEU 34 HD12 LEU 34 14.045 -26.488 -3.898
247 HD13 LEU 34 HD13 LEU 34 13.935 -27.072 -5.574
248 HD21 LEU 34 HD21 LEU 34 14.669 -24.200 -7.216
249 HD22 LEU 34 HD22 LEU 34 14.845 -25.956 -6.982
250 HD23 LEU 34 HD23 LEU 34 15.884 -24.828 -6.076
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 -0.708 1.350 -1.277
2 H2 ALA 1 H2 ALA 1 -0.391 1.395 -2.945
3 H3 ALA 1 H3 ALA 1 -1.151 0.039 -2.261
4 HA ALA 1 HA ALA 1 1.613 0.769 -2.390
5 HB1 ALA 1 HB1 ALA 1 1.739 -0.736 -0.138
6 HB2 ALA 1 HB2 ALA 1 1.805 1.044 -0.156
7 HB3 ALA 1 HB3 ALA 1 0.268 0.213 0.187
8 H GLU 2 H GLU 2 2.805 -0.953 -3.079
9 HA GLU 2 HA GLU 2 1.720 -3.664 -2.917
10 HB2 GLU 2 HB2 GLU 2 1.448 -4.081 -5.250
11 HB3 GLU 2 HB3 GLU 2 0.536 -2.601 -4.892
12 HG2 GLU 2 HG2 GLU 2 2.810 -1.445 -5.607
13 HG3 GLU 2 HG3 GLU 2 3.030 -2.976 -6.485
14 H CYS 3 H CYS 3 3.190 -5.267 -3.963
15 HA CYS 3 HA CYS 3 5.986 -4.204 -4.056
16 HB2 CYS 3 HB2 CYS 3 6.776 -6.135 -2.850
17 HB3 CYS 3 HB3 CYS 3 5.449 -5.415 -1.914
18 H LYS 4 H LYS 4 7.507 -5.503 -5.271
19 HA LYS 4 HA LYS 4 6.562 -6.176 -7.837
20 HB2 LYS 4 HB2 LYS 4 9.080 -6.375 -6.348
21 HB3 LYS 4 HB3 LYS 4 8.888 -7.685 -7.529
22 HG2 LYS 4 HG2 LYS 4 10.086 -5.748 -8.454
23 HG3 LYS 4 HG3 LYS 4 8.561 -6.075 -9.315
24 HD2 LYS 4 HD2 LYS 4 7.454 -4.279 -8.119
25 HD3 LYS 4 HD3 LYS 4 8.907 -4.000 -7.128
26 HE2 LYS 4 HE2 LYS 4 8.873 -3.763 -10.148
27 HE3 LYS 4 HE3 LYS 4 8.554 -2.395 -9.055
28 HZ1 LYS 4 HZ1 LYS 4 10.952 -3.847 -8.397
29 HZ2 LYS 4 HZ2 LYS 4 10.715 -2.184 -8.600
30 HZ3 LYS 4 HZ3 LYS 4 11.001 -3.168 -9.946
31 H GLY 5 H GLY 5 7.084 -8.421 -8.876
32 HA2 GLY 5 HA2 GLY 5 5.771 -10.470 -7.118
33 HA3 GLY 5 HA3 GLY 5 5.469 -10.326 -8.859
34 H PHE 6 H PHE 6 6.252 -12.074 -9.820
35 HA PHE 6 HA PHE 6 8.966 -12.994 -8.964
36 HB2 PHE 6 HB2 PHE 6 7.358 -14.733 -8.568
37 HB3 PHE 6 HB3 PHE 6 6.626 -14.506 -10.172
38 HD1 PHE 6 HD1 PHE 6 10.169 -14.909 -9.053
39 HD2 PHE 6 HD2 PHE 6 6.961 -16.408 -11.412
40 HE1 PHE 6 HE1 PHE 6 11.658 -16.641 -9.968
41 HE2 PHE 6 HE2 PHE 6 8.443 -18.142 -12.332
42 HZ PHE 6 HZ PHE 6 10.795 -18.262 -11.609
43 H TRP 7 H TRP 7 6.869 -12.142 -11.673
44 HA TRP 7 HA TRP 7 9.157 -12.553 -13.536
45 HB2 TRP 7 HB2 TRP 7 6.718 -13.430 -13.934
46 HB3 TRP 7 HB3 TRP 7 6.377 -11.746 -14.390
47 HD1 TRP 7 HD1 TRP 7 8.656 -14.693 -15.456
48 HE1 TRP 7 HE1 TRP 7 9.224 -14.440 -17.976
49 HE3 TRP 7 HE3 TRP 7 6.436 -10.161 -16.271
50 HZ2 TRP 7 HZ2 TRP 7 8.752 -12.522 -20.002
51 HZ3 TRP 7 HZ3 TRP 7 6.540 -9.185 -18.528
52 HH2 TRP 7 HH2 TRP 7 7.674 -10.342 -20.353
53 H LYS 8 H LYS 8 7.692 -10.164 -11.679
54 HA LYS 8 HA LYS 8 7.669 -7.914 -13.383
55 HB2 LYS 8 HB2 LYS 8 8.202 -8.240 -10.420
56 HB3 LYS 8 HB3 LYS 8 8.210 -6.644 -11.196
57 HG2 LYS 8 HG2 LYS 8 5.884 -8.584 -11.238
58 HG3 LYS 8 HG3 LYS 8 6.053 -7.202 -10.128
59 HD2 LYS 8 HD2 LYS 8 6.161 -5.690 -12.102
60 HD3 LYS 8 HD3 LYS 8 5.869 -7.096 -13.155
61 HE2 LYS 8 HE2 LYS 8 3.970 -6.606 -10.900
62 HE3 LYS 8 HE3 LYS 8 3.896 -5.518 -12.306
63 HZ1 LYS 8 HZ1 LYS 8 2.503 -7.706 -12.245
64 HZ2 LYS 8 HZ2 LYS 8 3.946 -8.427 -12.754
65 HZ3 LYS 8 HZ3 LYS 8 3.237 -7.206 -13.685
66 H SER 9 H SER 9 9.224 -5.978 -13.022
67 HA SER 9 HA SER 9 11.982 -7.042 -13.465
68 HB2 SER 9 HB2 SER 9 12.269 -4.693 -14.570
69 HB3 SER 9 HB3 SER 9 11.359 -5.947 -15.446
70 HG SER 9 HG SER 9 10.101 -4.036 -13.738
71 H CYS 10 H CYS 10 13.374 -6.738 -11.879
72 HA CYS 10 HA CYS 10 13.095 -4.245 -10.253
73 HB2 CYS 10 HB2 CYS 10 13.636 -5.441 -8.245
74 HB3 CYS 10 HB3 CYS 10 12.325 -6.334 -9.046
75 H VAL 11 H VAL 11 15.097 -3.570 -9.163
76 HA VAL 11 HA VAL 11 17.438 -4.218 -10.902
77 HB VAL 11 HB VAL 11 18.379 -2.056 -9.941
78 HG11 VAL 11 HG11 VAL 11 16.002 -2.242 -11.767
79 HG12 VAL 11 HG12 VAL 11 16.677 -0.647 -11.352
80 HG13 VAL 11 HG13 VAL 11 17.700 -1.870 -12.143
81 HG21 VAL 11 HG21 VAL 11 16.842 -0.470 -8.954
82 HG22 VAL 11 HG22 VAL 11 15.494 -1.620 -9.111
83 HG23 VAL 11 HG23 VAL 11 16.833 -1.967 -7.992
84 HA PRO 12 HA PRO 12 19.658 -6.028 -7.564
85 HB2 PRO 12 HB2 PRO 12 22.204 -5.241 -8.137
86 HB3 PRO 12 HB3 PRO 12 21.331 -6.474 -9.085
87 HG2 PRO 12 HG2 PRO 12 21.748 -3.550 -9.674
88 HG3 PRO 12 HG3 PRO 12 21.859 -4.955 -10.776
89 HD2 PRO 12 HD2 PRO 12 19.675 -3.334 -10.674
90 HD3 PRO 12 HD3 PRO 12 19.566 -5.082 -11.049
91 H GLY 13 H GLY 13 19.767 -5.468 -5.491
92 HA2 GLY 13 HA2 GLY 13 20.884 -4.194 -3.746
93 HA3 GLY 13 HA3 GLY 13 20.965 -2.804 -4.844
94 H LYS 14 H LYS 14 18.067 -3.556 -5.638
95 HA LYS 14 HA LYS 14 16.863 -1.898 -3.500
96 HB2 LYS 14 HB2 LYS 14 16.044 -2.691 -6.298
97 HB3 LYS 14 HB3 LYS 14 14.857 -2.020 -5.163
98 HG2 LYS 14 HG2 LYS 14 16.658 -0.129 -4.869
99 HG3 LYS 14 HG3 LYS 14 17.218 -0.715 -6.455
100 HD2 LYS 14 HD2 LYS 14 14.818 -0.479 -7.246
101 HD3 LYS 14 HD3 LYS 14 14.493 0.381 -5.721
102 HE2 LYS 14 HE2 LYS 14 16.760 1.226 -7.516
103 HE3 LYS 14 HE3 LYS 14 15.092 1.743 -7.857
104 HZ1 LYS 14 HZ1 LYS 14 16.644 2.262 -5.371
105 HZ2 LYS 14 HZ2 LYS 14 15.009 2.645 -5.569
106 HZ3 LYS 14 HZ3 LYS 14 16.178 3.399 -6.533
107 H ASN 15 H ASN 15 16.271 -4.989 -5.214
108 HA ASN 15 HA ASN 15 15.088 -6.851 -4.585
109 HB2 ASN 15 HB2 ASN 15 15.854 -5.772 -1.852
110 HB3 ASN 15 HB3 ASN 15 14.993 -7.312 -2.065
111 HD21 ASN 15 HD21 ASN 15 16.540 -8.676 -1.368
112 HD22 ASN 15 HD22 ASN 15 18.124 -8.876 -2.195
113 H GLU 16 H GLU 16 13.493 -4.811 -5.396
114 HA GLU 16 HA GLU 16 11.488 -4.000 -3.549
115 HB2 GLU 16 HB2 GLU 16 11.210 -4.470 -6.542
116 HB3 GLU 16 HB3 GLU 16 10.131 -3.490 -5.530
117 HG2 GLU 16 HG2 GLU 16 13.025 -2.794 -5.521
118 HG3 GLU 16 HG3 GLU 16 12.093 -2.437 -6.994
119 H CYS 17 H CYS 17 12.040 -7.009 -5.213
120 HA CYS 17 HA CYS 17 9.469 -8.111 -5.301
121 HB2 CYS 17 HB2 CYS 17 12.042 -9.542 -4.530
122 HB3 CYS 17 HB3 CYS 17 10.564 -10.306 -5.155
123 H CYS 18 H CYS 18 8.306 -9.535 -3.918
124 HA CYS 18 HA CYS 18 8.105 -8.577 -1.236
125 HB2 CYS 18 HB2 CYS 18 7.084 -11.214 -2.364
126 HB3 CYS 18 HB3 CYS 18 6.491 -10.381 -0.911
127 H SER 19 H SER 19 8.302 -9.864 0.750
128 HA SER 19 HA SER 19 10.929 -10.746 1.170
129 HB2 SER 19 HB2 SER 19 9.675 -10.171 3.090
130 HB3 SER 19 HB3 SER 19 8.341 -11.267 2.657
131 HG SER 19 HG SER 19 9.669 -12.106 4.352
132 H GLY 20 H GLY 20 12.042 -12.586 0.920
133 HA2 GLY 20 HA2 GLY 20 12.176 -15.000 0.869
134 HA3 GLY 20 HA3 GLY 20 10.488 -15.066 0.325
135 H TYR 21 H TYR 21 11.248 -12.721 -1.553
136 HA TYR 21 HA TYR 21 12.146 -14.527 -3.728
137 HB2 TYR 21 HB2 TYR 21 10.888 -11.760 -3.734
138 HB3 TYR 21 HB3 TYR 21 11.445 -12.594 -5.202
139 HD1 TYR 21 HD2 TYR 21 9.215 -13.149 -2.245
140 HD2 TYR 21 HD1 TYR 21 9.932 -13.891 -6.373
141 HE1 TYR 21 HE2 TYR 21 7.045 -14.296 -2.410
142 HE2 TYR 21 HE1 TYR 21 7.763 -15.037 -6.550
143 HH TYR 21 HH TYR 21 5.727 -15.581 -3.687
144 H ALA 22 H ALA 22 13.840 -14.027 -5.141
145 HA ALA 22 HA ALA 22 15.819 -12.124 -3.956
146 HB1 ALA 22 HB1 ALA 22 17.549 -13.503 -4.665
147 HB2 ALA 22 HB2 ALA 22 16.297 -14.670 -4.175
148 HB3 ALA 22 HB3 ALA 22 16.546 -14.302 -5.899
149 H CYS 23 H CYS 23 17.364 -11.157 -5.560
150 HA CYS 23 HA CYS 23 15.845 -10.408 -8.029
151 HB2 CYS 23 HB2 CYS 23 17.210 -8.805 -5.973
152 HB3 CYS 23 HB3 CYS 23 17.711 -8.393 -7.627
153 H SER 24 H SER 24 16.828 -10.528 -9.972
154 HA SER 24 HA SER 24 19.692 -11.396 -9.942
155 HB2 SER 24 HB2 SER 24 17.520 -12.907 -10.781
156 HB3 SER 24 HB3 SER 24 18.132 -12.213 -12.301
157 HG SER 24 HG SER 24 19.155 -14.216 -11.760
158 H SER 25 H SER 25 20.906 -9.780 -10.645
159 HA SER 25 HA SER 25 19.864 -7.688 -12.345
160 HB2 SER 25 HB2 SER 25 21.592 -6.909 -11.009
161 HB3 SER 25 HB3 SER 25 22.544 -8.403 -11.186
162 HG SER 25 HG SER 25 23.454 -6.622 -12.348
163 H ARG 26 H ARG 26 21.310 -10.784 -12.905
164 HA ARG 26 HA ARG 26 22.561 -10.437 -15.384
165 HB2 ARG 26 HB2 ARG 26 22.358 -12.551 -13.950
166 HB3 ARG 26 HB3 ARG 26 20.784 -12.806 -14.730
167 HG2 ARG 26 HG2 ARG 26 21.749 -13.166 -16.832
168 HG3 ARG 26 HG3 ARG 26 23.295 -12.426 -16.350
169 HD2 ARG 26 HD2 ARG 26 23.688 -14.298 -14.793
170 HD3 ARG 26 HD3 ARG 26 22.158 -15.041 -15.316
171 HE ARG 26 HE ARG 26 23.737 -14.573 -17.621
172 HH11 ARG 26 HH11 ARG 26 23.743 -16.534 -14.685
173 HH12 ARG 26 HH12 ARG 26 24.650 -17.857 -15.424
174 HH21 ARG 26 HH21 ARG 26 24.909 -16.284 -18.568
175 HH22 ARG 26 HH22 ARG 26 25.310 -17.716 -17.614
176 H ASP 27 H ASP 27 19.100 -11.065 -14.715
177 HA ASP 27 HA ASP 27 18.549 -10.230 -17.537
178 HB2 ASP 27 HB2 ASP 27 17.630 -12.504 -15.965
179 HB3 ASP 27 HB3 ASP 27 16.259 -11.523 -16.530
180 H LYS 28 H LYS 28 18.473 -9.192 -14.404
181 HA LYS 28 HA LYS 28 17.381 -7.486 -13.326
182 HB2 LYS 28 HB2 LYS 28 16.891 -6.808 -16.222
183 HB3 LYS 28 HB3 LYS 28 16.123 -5.841 -14.948
184 HG2 LYS 28 HG2 LYS 28 18.326 -5.340 -13.994
185 HG3 LYS 28 HG3 LYS 28 19.097 -6.311 -15.273
186 HD2 LYS 28 HD2 LYS 28 19.224 -3.977 -15.878
187 HD3 LYS 28 HD3 LYS 28 18.076 -4.794 -16.967
188 HE2 LYS 28 HE2 LYS 28 16.200 -3.873 -15.830
189 HE3 LYS 28 HE3 LYS 28 17.210 -3.316 -14.473
190 HZ1 LYS 28 HZ1 LYS 28 16.992 -2.199 -17.203
191 HZ2 LYS 28 HZ2 LYS 28 18.372 -1.913 -16.268
192 HZ3 LYS 28 HZ3 LYS 28 16.854 -1.407 -15.715
193 H TRP 29 H TRP 29 16.072 -9.761 -13.011
194 HA TRP 29 HA TRP 29 13.231 -8.883 -13.159
195 HB2 TRP 29 HB2 TRP 29 12.585 -11.272 -13.665
196 HB3 TRP 29 HB3 TRP 29 13.422 -10.433 -14.990
197 HD1 TRP 29 HD1 TRP 29 15.709 -11.618 -12.250
198 HE1 TRP 29 HE1 TRP 29 17.058 -13.693 -13.035
199 HE3 TRP 29 HE3 TRP 29 13.126 -12.607 -16.550
200 HZ2 TRP 29 HZ2 TRP 29 16.980 -15.480 -15.225
201 HZ3 TRP 29 HZ3 TRP 29 13.827 -14.516 -17.934
202 HH2 TRP 29 HH2 TRP 29 15.715 -15.923 -17.285
203 H CYS 30 H CYS 30 11.936 -10.842 -11.906
204 HA CYS 30 HA CYS 30 13.170 -10.753 -9.208
205 HB2 CYS 30 HB2 CYS 30 10.382 -11.061 -10.280
206 HB3 CYS 30 HB3 CYS 30 10.756 -11.746 -8.684
207 H LYS 31 H LYS 31 12.842 -12.669 -7.778
208 HA LYS 31 HA LYS 31 12.886 -15.235 -9.282
209 HB2 LYS 31 HB2 LYS 31 14.963 -14.546 -7.177
210 HB3 LYS 31 HB3 LYS 31 14.899 -15.993 -8.203
211 HG2 LYS 31 HG2 LYS 31 15.271 -13.186 -9.270
212 HG3 LYS 31 HG3 LYS 31 16.609 -14.291 -8.872
213 HD2 LYS 31 HD2 LYS 31 14.541 -15.497 -10.579
214 HD3 LYS 31 HD3 LYS 31 15.359 -14.098 -11.318
215 HE2 LYS 31 HE2 LYS 31 16.871 -15.661 -11.943
216 HE3 LYS 31 HE3 LYS 31 17.493 -15.407 -10.295
217 HZ1 LYS 31 HZ1 LYS 31 15.582 -17.269 -9.911
218 HZ2 LYS 31 HZ2 LYS 31 17.225 -17.609 -10.119
219 HZ3 LYS 31 HZ3 LYS 31 16.167 -17.712 -11.435
220 H VAL 32 H VAL 32 12.293 -17.063 -8.089
221 HA VAL 32 HA VAL 32 11.289 -16.483 -5.334
222 HB VAL 32 HB VAL 32 9.392 -16.460 -6.926
223 HG11 VAL 32 HG11 VAL 32 9.620 -19.392 -7.400
224 HG12 VAL 32 HG12 VAL 32 8.931 -18.110 -8.427
225 HG13 VAL 32 HG13 VAL 32 10.695 -18.330 -8.339
226 HG21 VAL 32 HG21 VAL 32 9.258 -17.343 -4.538
227 HG22 VAL 32 HG22 VAL 32 7.958 -17.843 -5.644
228 HG23 VAL 32 HG23 VAL 32 9.271 -18.976 -5.249
229 H LEU 33 H LEU 33 11.793 -17.950 -3.827
230 HA LEU 33 HA LEU 33 13.518 -20.169 -4.612
231 HB2 LEU 33 HB2 LEU 33 12.366 -19.525 -1.886
232 HB3 LEU 33 HB3 LEU 33 13.766 -20.561 -2.245
233 HG LEU 33 HG LEU 33 13.823 -17.658 -3.019
234 HD11 LEU 33 HD11 LEU 33 14.251 -16.884 -0.923
235 HD12 LEU 33 HD12 LEU 33 14.900 -18.441 -0.355
236 HD13 LEU 33 HD13 LEU 33 13.140 -18.206 -0.494
237 HD21 LEU 33 HD21 LEU 33 16.034 -19.423 -1.962
238 HD22 LEU 33 HD22 LEU 33 16.157 -17.926 -2.918
239 HD23 LEU 33 HD23 LEU 33 15.561 -19.422 -3.678
240 H LEU 34 H LEU 34 13.160 -22.368 -4.349
241 HA LEU 34 HA LEU 34 10.372 -23.158 -4.708
242 HB2 LEU 34 HB2 LEU 34 12.970 -24.707 -4.550
243 HB3 LEU 34 HB3 LEU 34 11.383 -25.474 -4.804
244 HG LEU 34 HG LEU 34 12.326 -23.319 -6.678
245 HD11 LEU 34 HD11 LEU 34 13.094 -25.443 -8.057
246 HD12 LEU 34 HD12 LEU 34 13.378 -26.105 -6.430
247 HD13 LEU 34 HD13 LEU 34 14.199 -24.610 -6.938
248 HD21 LEU 34 HD21 LEU 34 11.033 -24.923 -8.245
249 HD22 LEU 34 HD22 LEU 34 10.113 -23.919 -7.099
250 HD23 LEU 34 HD23 LEU 34 10.405 -25.638 -6.739
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 0.922 1.256 -0.652
2 H2 ALA 1 H2 ALA 1 2.067 0.683 -1.768
3 H3 ALA 1 H3 ALA 1 0.431 0.259 -1.935
4 HA ALA 1 HA ALA 1 2.357 -0.593 0.106
5 HB1 ALA 1 HB1 ALA 1 0.359 -0.014 1.306
6 HB2 ALA 1 HB2 ALA 1 -0.661 -0.854 0.112
7 HB3 ALA 1 HB3 ALA 1 0.431 -1.787 1.163
8 H GLU 2 H GLU 2 2.669 -1.016 -2.619
9 HA GLU 2 HA GLU 2 1.943 -3.911 -2.797
10 HB2 GLU 2 HB2 GLU 2 1.791 -1.753 -4.906
11 HB3 GLU 2 HB3 GLU 2 2.018 -3.453 -5.362
12 HG2 GLU 2 HG2 GLU 2 -0.081 -4.073 -4.639
13 HG3 GLU 2 HG3 GLU 2 -0.211 -2.710 -3.502
14 H CYS 3 H CYS 3 3.467 -5.299 -3.680
15 HA CYS 3 HA CYS 3 6.158 -4.063 -4.119
16 HB2 CYS 3 HB2 CYS 3 7.139 -6.110 -3.114
17 HB3 CYS 3 HB3 CYS 3 6.119 -5.216 -1.966
18 H LYS 4 H LYS 4 7.665 -5.509 -5.351
19 HA LYS 4 HA LYS 4 6.543 -6.123 -7.877
20 HB2 LYS 4 HB2 LYS 4 9.150 -6.387 -6.544
21 HB3 LYS 4 HB3 LYS 4 8.856 -7.654 -7.752
22 HG2 LYS 4 HG2 LYS 4 10.028 -5.721 -8.703
23 HG3 LYS 4 HG3 LYS 4 8.434 -5.973 -9.458
24 HD2 LYS 4 HD2 LYS 4 7.483 -4.143 -8.301
25 HD3 LYS 4 HD3 LYS 4 8.847 -4.052 -7.160
26 HE2 LYS 4 HE2 LYS 4 10.210 -3.660 -9.418
27 HE3 LYS 4 HE3 LYS 4 8.623 -3.077 -9.974
28 HZ1 LYS 4 HZ1 LYS 4 10.231 -1.413 -8.904
29 HZ2 LYS 4 HZ2 LYS 4 9.788 -2.114 -7.430
30 HZ3 LYS 4 HZ3 LYS 4 8.614 -1.384 -8.404
31 H GLY 5 H GLY 5 6.969 -8.372 -8.951
32 HA2 GLY 5 HA2 GLY 5 5.680 -10.387 -7.141
33 HA3 GLY 5 HA3 GLY 5 5.386 -10.274 -8.886
34 H PHE 6 H PHE 6 6.200 -11.974 -9.889
35 HA PHE 6 HA PHE 6 8.881 -12.941 -8.974
36 HB2 PHE 6 HB2 PHE 6 7.261 -14.661 -8.558
37 HB3 PHE 6 HB3 PHE 6 6.524 -14.445 -10.162
38 HD1 PHE 6 HD1 PHE 6 10.052 -14.912 -9.006
39 HD2 PHE 6 HD2 PHE 6 6.851 -16.323 -11.430
40 HE1 PHE 6 HE1 PHE 6 11.517 -16.670 -9.908
41 HE2 PHE 6 HE2 PHE 6 8.310 -18.085 -12.336
42 HZ PHE 6 HZ PHE 6 10.646 -18.260 -11.576
43 H TRP 7 H TRP 7 6.793 -12.151 -11.717
44 HA TRP 7 HA TRP 7 9.094 -12.587 -13.555
45 HB2 TRP 7 HB2 TRP 7 7.423 -12.360 -15.364
46 HB3 TRP 7 HB3 TRP 7 6.974 -13.633 -14.208
47 HD1 TRP 7 HD1 TRP 7 4.880 -13.105 -12.570
48 HE1 TRP 7 HE1 TRP 7 2.849 -11.508 -12.825
49 HE3 TRP 7 HE3 TRP 7 6.724 -10.135 -16.303
50 HZ2 TRP 7 HZ2 TRP 7 2.179 -9.282 -14.437
51 HZ3 TRP 7 HZ3 TRP 7 5.324 -8.295 -17.145
52 HH2 TRP 7 HH2 TRP 7 3.097 -7.879 -16.231
53 H LYS 8 H LYS 8 7.693 -10.171 -11.722
54 HA LYS 8 HA LYS 8 7.647 -7.950 -13.479
55 HB2 LYS 8 HB2 LYS 8 8.164 -8.227 -10.510
56 HB3 LYS 8 HB3 LYS 8 8.193 -6.645 -11.311
57 HG2 LYS 8 HG2 LYS 8 5.851 -8.568 -11.298
58 HG3 LYS 8 HG3 LYS 8 6.023 -7.127 -10.265
59 HD2 LYS 8 HD2 LYS 8 6.185 -5.742 -12.349
60 HD3 LYS 8 HD3 LYS 8 5.810 -7.207 -13.289
61 HE2 LYS 8 HE2 LYS 8 3.669 -7.424 -12.147
62 HE3 LYS 8 HE3 LYS 8 4.051 -6.021 -11.120
63 HZ1 LYS 8 HZ1 LYS 8 3.965 -5.812 -14.076
64 HZ2 LYS 8 HZ2 LYS 8 3.877 -4.572 -12.930
65 HZ3 LYS 8 HZ3 LYS 8 2.572 -5.629 -13.131
66 H SER 9 H SER 9 9.204 -6.011 -13.162
67 HA SER 9 HA SER 9 11.962 -7.090 -13.568
68 HB2 SER 9 HB2 SER 9 10.828 -4.437 -14.540
69 HB3 SER 9 HB3 SER 9 12.387 -5.170 -14.987
70 HG SER 9 HG SER 9 10.751 -5.505 -16.588
71 H CYS 10 H CYS 10 13.329 -6.765 -11.964
72 HA CYS 10 HA CYS 10 13.048 -4.230 -10.401
73 HB2 CYS 10 HB2 CYS 10 13.583 -5.382 -8.369
74 HB3 CYS 10 HB3 CYS 10 12.283 -6.302 -9.156
75 H VAL 11 H VAL 11 15.085 -3.665 -9.195
76 HA VAL 11 HA VAL 11 17.427 -4.317 -10.939
77 HB VAL 11 HB VAL 11 18.348 -2.105 -10.009
78 HG11 VAL 11 HG11 VAL 11 17.564 -2.426 -12.323
79 HG12 VAL 11 HG12 VAL 11 15.909 -2.011 -11.813
80 HG13 VAL 11 HG13 VAL 11 17.204 -0.793 -11.719
81 HG21 VAL 11 HG21 VAL 11 16.759 -0.478 -9.206
82 HG22 VAL 11 HG22 VAL 11 15.411 -1.621 -9.423
83 HG23 VAL 11 HG23 VAL 11 16.652 -1.931 -8.184
84 HA PRO 12 HA PRO 12 19.610 -5.960 -7.494
85 HB2 PRO 12 HB2 PRO 12 22.160 -5.170 -8.051
86 HB3 PRO 12 HB3 PRO 12 21.316 -6.448 -8.964
87 HG2 PRO 12 HG2 PRO 12 21.717 -3.544 -9.659
88 HG3 PRO 12 HG3 PRO 12 21.862 -4.991 -10.704
89 HD2 PRO 12 HD2 PRO 12 19.661 -3.389 -10.708
90 HD3 PRO 12 HD3 PRO 12 19.575 -5.153 -11.015
91 H GLY 13 H GLY 13 19.908 -5.386 -5.432
92 HA2 GLY 13 HA2 GLY 13 20.909 -4.012 -3.731
93 HA3 GLY 13 HA3 GLY 13 20.975 -2.660 -4.877
94 H LYS 14 H LYS 14 18.133 -3.315 -5.721
95 HA LYS 14 HA LYS 14 16.887 -1.627 -3.659
96 HB2 LYS 14 HB2 LYS 14 16.095 -2.618 -6.396
97 HB3 LYS 14 HB3 LYS 14 14.868 -1.946 -5.305
98 HG2 LYS 14 HG2 LYS 14 16.629 0.025 -5.110
99 HG3 LYS 14 HG3 LYS 14 17.138 -0.601 -6.697
100 HD2 LYS 14 HD2 LYS 14 14.768 -0.431 -7.461
101 HD3 LYS 14 HD3 LYS 14 14.362 0.331 -5.904
102 HE2 LYS 14 HE2 LYS 14 15.938 2.149 -6.377
103 HE3 LYS 14 HE3 LYS 14 16.370 1.381 -7.922
104 HZ1 LYS 14 HZ1 LYS 14 14.471 2.070 -8.890
105 HZ2 LYS 14 HZ2 LYS 14 14.501 3.260 -7.689
106 HZ3 LYS 14 HZ3 LYS 14 13.532 1.885 -7.496
107 H ASN 15 H ASN 15 16.288 -4.827 -5.165
108 HA ASN 15 HA ASN 15 15.207 -6.682 -4.355
109 HB2 ASN 15 HB2 ASN 15 15.475 -5.431 -1.596
110 HB3 ASN 15 HB3 ASN 15 15.275 -7.153 -1.987
111 HD21 ASN 15 HD21 ASN 15 17.018 -8.366 -2.115
112 HD22 ASN 15 HD22 ASN 15 18.696 -7.743 -2.282
113 H GLU 16 H GLU 16 13.588 -4.745 -5.402
114 HA GLU 16 HA GLU 16 11.476 -3.893 -3.684
115 HB2 GLU 16 HB2 GLU 16 11.395 -4.488 -6.666
116 HB3 GLU 16 HB3 GLU 16 10.199 -3.539 -5.764
117 HG2 GLU 16 HG2 GLU 16 13.065 -2.702 -5.644
118 HG3 GLU 16 HG3 GLU 16 12.142 -2.392 -7.135
119 H CYS 17 H CYS 17 12.188 -6.947 -5.211
120 HA CYS 17 HA CYS 17 9.654 -8.127 -5.358
121 HB2 CYS 17 HB2 CYS 17 12.286 -9.391 -4.502
122 HB3 CYS 17 HB3 CYS 17 10.837 -10.293 -4.996
123 H CYS 18 H CYS 18 8.602 -9.698 -3.954
124 HA CYS 18 HA CYS 18 8.303 -8.610 -1.284
125 HB2 CYS 18 HB2 CYS 18 7.181 -11.145 -2.540
126 HB3 CYS 18 HB3 CYS 18 6.663 -10.453 -0.987
127 H SER 19 H SER 19 8.352 -9.983 0.688
128 HA SER 19 HA SER 19 10.947 -10.926 1.187
129 HB2 SER 19 HB2 SER 19 9.555 -10.344 3.041
130 HB3 SER 19 HB3 SER 19 8.304 -11.518 2.562
131 HG SER 19 HG SER 19 9.618 -12.275 4.310
132 H GLY 20 H GLY 20 12.013 -12.824 1.043
133 HA2 GLY 20 HA2 GLY 20 12.133 -15.208 0.867
134 HA3 GLY 20 HA3 GLY 20 10.448 -15.248 0.318
135 H TYR 21 H TYR 21 11.200 -12.891 -1.526
136 HA TYR 21 HA TYR 21 12.141 -14.666 -3.714
137 HB2 TYR 21 HB2 TYR 21 10.809 -11.932 -3.720
138 HB3 TYR 21 HB3 TYR 21 11.376 -12.761 -5.186
139 HD1 TYR 21 HD2 TYR 21 9.169 -13.337 -2.217
140 HD2 TYR 21 HD1 TYR 21 9.894 -14.115 -6.336
141 HE1 TYR 21 HE2 TYR 21 7.024 -14.532 -2.362
142 HE2 TYR 21 HE1 TYR 21 7.751 -15.311 -6.494
143 HH TYR 21 HH TYR 21 5.676 -15.764 -3.625
144 H ALA 22 H ALA 22 13.838 -14.134 -5.096
145 HA ALA 22 HA ALA 22 15.738 -12.151 -3.914
146 HB1 ALA 22 HB1 ALA 22 16.744 -14.148 -5.860
147 HB2 ALA 22 HB2 ALA 22 17.462 -13.555 -4.343
148 HB3 ALA 22 HB3 ALA 22 16.180 -14.789 -4.299
149 H CYS 23 H CYS 23 17.273 -11.159 -5.517
150 HA CYS 23 HA CYS 23 15.756 -10.489 -8.010
151 HB2 CYS 23 HB2 CYS 23 17.047 -8.817 -5.961
152 HB3 CYS 23 HB3 CYS 23 17.560 -8.413 -7.613
153 H SER 24 H SER 24 16.754 -10.625 -9.940
154 HA SER 24 HA SER 24 19.636 -11.434 -9.869
155 HB2 SER 24 HB2 SER 24 17.419 -12.878 -10.850
156 HB3 SER 24 HB3 SER 24 18.249 -12.251 -12.295
157 HG SER 24 HG SER 24 19.085 -14.293 -11.603
158 H SER 25 H SER 25 20.870 -9.830 -10.555
159 HA SER 25 HA SER 25 19.851 -7.701 -12.221
160 HB2 SER 25 HB2 SER 25 22.471 -7.259 -12.380
161 HB3 SER 25 HB3 SER 25 21.576 -6.951 -10.873
162 HG SER 25 HG SER 25 23.511 -8.172 -10.528
163 H ARG 26 H ARG 26 21.284 -10.794 -12.828
164 HA ARG 26 HA ARG 26 22.544 -10.411 -15.297
165 HB2 ARG 26 HB2 ARG 26 22.444 -12.546 -13.983
166 HB3 ARG 26 HB3 ARG 26 20.776 -12.769 -14.548
167 HG2 ARG 26 HG2 ARG 26 21.563 -13.819 -16.335
168 HG3 ARG 26 HG3 ARG 26 22.342 -12.303 -16.852
169 HD2 ARG 26 HD2 ARG 26 23.926 -14.200 -16.714
170 HD3 ARG 26 HD3 ARG 26 24.350 -12.866 -15.614
171 HE ARG 26 HE ARG 26 22.722 -14.955 -14.383
172 HH11 ARG 26 HH11 ARG 26 25.977 -13.861 -15.198
173 HH12 ARG 26 HH12 ARG 26 26.747 -14.812 -13.921
174 HH21 ARG 26 HH21 ARG 26 23.720 -16.178 -12.738
175 HH22 ARG 26 HH22 ARG 26 25.474 -16.117 -12.535
176 H ASP 27 H ASP 27 19.080 -11.042 -14.652
177 HA ASP 27 HA ASP 27 18.542 -10.152 -17.459
178 HB2 ASP 27 HB2 ASP 27 17.618 -12.456 -15.941
179 HB3 ASP 27 HB3 ASP 27 16.247 -11.465 -16.484
180 H LYS 28 H LYS 28 18.467 -9.162 -14.316
181 HA LYS 28 HA LYS 28 17.371 -7.477 -13.209
182 HB2 LYS 28 HB2 LYS 28 16.862 -6.752 -16.092
183 HB3 LYS 28 HB3 LYS 28 16.118 -5.801 -14.791
184 HG2 LYS 28 HG2 LYS 28 18.672 -5.862 -13.918
185 HG3 LYS 28 HG3 LYS 28 18.937 -5.955 -15.678
186 HD2 LYS 28 HD2 LYS 28 16.948 -3.953 -14.746
187 HD3 LYS 28 HD3 LYS 28 18.649 -3.632 -14.326
188 HE2 LYS 28 HE2 LYS 28 18.178 -2.569 -16.428
189 HE3 LYS 28 HE3 LYS 28 19.238 -3.968 -16.732
190 HZ1 LYS 28 HZ1 LYS 28 17.332 -3.712 -18.307
191 HZ2 LYS 28 HZ2 LYS 28 16.280 -4.062 -17.029
192 HZ3 LYS 28 HZ3 LYS 28 17.406 -5.218 -17.537
193 H TRP 29 H TRP 29 16.065 -9.763 -12.934
194 HA TRP 29 HA TRP 29 13.222 -8.885 -13.061
195 HB2 TRP 29 HB2 TRP 29 12.577 -11.262 -13.613
196 HB3 TRP 29 HB3 TRP 29 13.413 -10.397 -14.922
197 HD1 TRP 29 HD1 TRP 29 15.707 -11.630 -12.211
198 HE1 TRP 29 HE1 TRP 29 17.053 -13.693 -13.036
199 HE3 TRP 29 HE3 TRP 29 13.107 -12.550 -16.517
200 HZ2 TRP 29 HZ2 TRP 29 16.965 -15.446 -15.254
201 HZ3 TRP 29 HZ3 TRP 29 13.802 -14.438 -17.933
202 HH2 TRP 29 HH2 TRP 29 15.691 -15.854 -17.314
203 H CYS 30 H CYS 30 11.934 -10.873 -11.845
204 HA CYS 30 HA CYS 30 13.168 -10.831 -9.147
205 HB2 CYS 30 HB2 CYS 30 10.387 -11.102 -10.231
206 HB3 CYS 30 HB3 CYS 30 10.747 -11.872 -8.671
207 H LYS 31 H LYS 31 12.764 -12.794 -7.752
208 HA LYS 31 HA LYS 31 12.849 -15.323 -9.302
209 HB2 LYS 31 HB2 LYS 31 14.940 -14.664 -7.202
210 HB3 LYS 31 HB3 LYS 31 14.871 -16.095 -8.248
211 HG2 LYS 31 HG2 LYS 31 15.224 -13.274 -9.283
212 HG3 LYS 31 HG3 LYS 31 16.572 -14.373 -8.901
213 HD2 LYS 31 HD2 LYS 31 14.509 -15.582 -10.610
214 HD3 LYS 31 HD3 LYS 31 15.305 -14.166 -11.339
215 HE2 LYS 31 HE2 LYS 31 16.837 -15.698 -11.990
216 HE3 LYS 31 HE3 LYS 31 17.460 -15.463 -10.339
217 HZ1 LYS 31 HZ1 LYS 31 16.483 -17.426 -9.613
218 HZ2 LYS 31 HZ2 LYS 31 17.056 -17.839 -11.151
219 HZ3 LYS 31 HZ3 LYS 31 15.411 -17.520 -10.918
220 H VAL 32 H VAL 32 12.274 -17.175 -8.135
221 HA VAL 32 HA VAL 32 11.285 -16.644 -5.363
222 HB VAL 32 HB VAL 32 9.384 -16.608 -6.965
223 HG11 VAL 32 HG11 VAL 32 10.743 -18.653 -8.236
224 HG12 VAL 32 HG12 VAL 32 9.385 -19.496 -7.450
225 HG13 VAL 32 HG13 VAL 32 9.069 -18.144 -8.565
226 HG21 VAL 32 HG21 VAL 32 7.951 -17.939 -5.656
227 HG22 VAL 32 HG22 VAL 32 9.230 -19.124 -5.301
228 HG23 VAL 32 HG23 VAL 32 9.287 -17.505 -4.563
229 H LEU 33 H LEU 33 11.741 -18.162 -3.883
230 HA LEU 33 HA LEU 33 13.565 -20.287 -4.639
231 HB2 LEU 33 HB2 LEU 33 12.141 -19.732 -2.018
232 HB3 LEU 33 HB3 LEU 33 13.475 -20.886 -2.247
233 HG LEU 33 HG LEU 33 13.847 -17.967 -2.891
234 HD11 LEU 33 HD11 LEU 33 14.787 -17.769 -0.550
235 HD12 LEU 33 HD12 LEU 33 13.936 -19.286 -0.170
236 HD13 LEU 33 HD13 LEU 33 13.014 -17.849 -0.671
237 HD21 LEU 33 HD21 LEU 33 15.507 -19.726 -3.575
238 HD22 LEU 33 HD22 LEU 33 15.773 -20.058 -1.847
239 HD23 LEU 33 HD23 LEU 33 16.158 -18.452 -2.513
240 H LEU 34 H LEU 34 13.199 -22.373 -5.056
241 HA LEU 34 HA LEU 34 10.436 -23.247 -5.353
242 HB2 LEU 34 HB2 LEU 34 13.150 -24.332 -5.957
243 HB3 LEU 34 HB3 LEU 34 11.819 -25.499 -5.782
244 HG LEU 34 HG LEU 34 11.769 -23.160 -7.706
245 HD11 LEU 34 HD11 LEU 34 12.687 -24.434 -9.355
246 HD12 LEU 34 HD12 LEU 34 12.126 -25.966 -8.644
247 HD13 LEU 34 HD13 LEU 34 13.545 -25.134 -7.963
248 HD21 LEU 34 HD21 LEU 34 9.583 -24.106 -6.961
249 HD22 LEU 34 HD22 LEU 34 10.098 -25.687 -7.595
250 HD23 LEU 34 HD23 LEU 34 9.898 -24.306 -8.702
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 2.673 1.999 -2.053
2 H2 ALA 1 H2 ALA 1 3.870 0.860 -2.440
3 H3 ALA 1 H3 ALA 1 2.426 0.911 -3.332
4 HA ALA 1 HA ALA 1 2.706 0.218 -0.486
5 HB1 ALA 1 HB1 ALA 1 0.587 1.431 -1.262
6 HB2 ALA 1 HB2 ALA 1 0.224 -0.050 -2.183
7 HB3 ALA 1 HB3 ALA 1 0.381 -0.118 -0.411
8 H GLU 2 H GLU 2 1.577 -0.946 -3.696
9 HA GLU 2 HA GLU 2 1.752 -3.710 -2.990
10 HB2 GLU 2 HB2 GLU 2 1.603 -2.178 -5.580
11 HB3 GLU 2 HB3 GLU 2 1.926 -3.921 -5.608
12 HG2 GLU 2 HG2 GLU 2 -0.407 -3.657 -5.886
13 HG3 GLU 2 HG3 GLU 2 -0.154 -4.228 -4.219
14 H CYS 3 H CYS 3 3.233 -5.327 -3.746
15 HA CYS 3 HA CYS 3 5.997 -4.226 -4.078
16 HB2 CYS 3 HB2 CYS 3 6.826 -6.196 -2.899
17 HB3 CYS 3 HB3 CYS 3 5.617 -5.362 -1.901
18 H LYS 4 H LYS 4 7.503 -5.528 -5.307
19 HA LYS 4 HA LYS 4 6.507 -6.261 -7.834
20 HB2 LYS 4 HB2 LYS 4 9.058 -6.451 -6.386
21 HB3 LYS 4 HB3 LYS 4 8.838 -7.753 -7.571
22 HG2 LYS 4 HG2 LYS 4 10.016 -5.848 -8.542
23 HG3 LYS 4 HG3 LYS 4 8.440 -6.106 -9.330
24 HD2 LYS 4 HD2 LYS 4 7.460 -4.297 -8.038
25 HD3 LYS 4 HD3 LYS 4 8.979 -4.084 -7.134
26 HE2 LYS 4 HE2 LYS 4 9.260 -2.442 -8.694
27 HE3 LYS 4 HE3 LYS 4 9.956 -3.808 -9.598
28 HZ1 LYS 4 HZ1 LYS 4 8.108 -3.967 -10.941
29 HZ2 LYS 4 HZ2 LYS 4 8.204 -2.293 -10.718
30 HZ3 LYS 4 HZ3 LYS 4 7.077 -3.200 -9.839
31 H GLY 5 H GLY 5 7.012 -8.524 -8.841
32 HA2 GLY 5 HA2 GLY 5 5.749 -10.545 -7.015
33 HA3 GLY 5 HA3 GLY 5 5.399 -10.430 -8.751
34 H PHE 6 H PHE 6 6.279 -11.998 -9.892
35 HA PHE 6 HA PHE 6 8.967 -12.984 -9.016
36 HB2 PHE 6 HB2 PHE 6 7.371 -14.735 -8.622
37 HB3 PHE 6 HB3 PHE 6 6.616 -14.492 -10.213
38 HD1 PHE 6 HD1 PHE 6 10.179 -14.889 -9.152
39 HD2 PHE 6 HD2 PHE 6 6.941 -16.379 -11.478
40 HE1 PHE 6 HE1 PHE 6 11.662 -16.602 -10.112
41 HE2 PHE 6 HE2 PHE 6 8.419 -18.096 -12.441
42 HZ PHE 6 HZ PHE 6 10.782 -18.209 -11.756
43 H TRP 7 H TRP 7 6.794 -12.294 -11.742
44 HA TRP 7 HA TRP 7 9.101 -12.564 -13.598
45 HB2 TRP 7 HB2 TRP 7 6.770 -13.614 -14.019
46 HB3 TRP 7 HB3 TRP 7 6.242 -11.959 -14.393
47 HD1 TRP 7 HD1 TRP 7 6.219 -11.576 -16.910
48 HE1 TRP 7 HE1 TRP 7 7.643 -12.306 -18.956
49 HE3 TRP 7 HE3 TRP 7 9.623 -14.496 -14.454
50 HZ2 TRP 7 HZ2 TRP 7 9.918 -13.925 -19.398
51 HZ3 TRP 7 HZ3 TRP 7 11.391 -15.601 -15.761
52 HH2 TRP 7 HH2 TRP 7 11.534 -15.320 -18.183
53 H LYS 8 H LYS 8 7.925 -10.263 -11.632
54 HA LYS 8 HA LYS 8 7.637 -8.010 -13.404
55 HB2 LYS 8 HB2 LYS 8 8.213 -8.289 -10.441
56 HB3 LYS 8 HB3 LYS 8 8.119 -6.705 -11.237
57 HG2 LYS 8 HG2 LYS 8 5.912 -8.779 -11.172
58 HG3 LYS 8 HG3 LYS 8 6.009 -7.323 -10.151
59 HD2 LYS 8 HD2 LYS 8 6.028 -5.944 -12.244
60 HD3 LYS 8 HD3 LYS 8 5.744 -7.438 -13.171
61 HE2 LYS 8 HE2 LYS 8 3.665 -7.808 -11.866
62 HE3 LYS 8 HE3 LYS 8 3.941 -6.259 -11.033
63 HZ1 LYS 8 HZ1 LYS 8 3.921 -6.234 -13.962
64 HZ2 LYS 8 HZ2 LYS 8 3.366 -5.073 -12.865
65 HZ3 LYS 8 HZ3 LYS 8 2.435 -6.450 -13.180
66 H SER 9 H SER 9 9.138 -6.007 -12.963
67 HA SER 9 HA SER 9 11.916 -6.977 -13.492
68 HB2 SER 9 HB2 SER 9 10.335 -4.597 -14.481
69 HB3 SER 9 HB3 SER 9 12.115 -4.569 -14.493
70 HG SER 9 HG SER 9 11.220 -5.351 -16.478
71 H CYS 10 H CYS 10 13.455 -6.547 -12.072
72 HA CYS 10 HA CYS 10 13.134 -4.158 -10.324
73 HB2 CYS 10 HB2 CYS 10 13.638 -5.378 -8.326
74 HB3 CYS 10 HB3 CYS 10 12.326 -6.255 -9.143
75 H VAL 11 H VAL 11 15.168 -3.617 -9.151
76 HA VAL 11 HA VAL 11 17.499 -4.286 -10.904
77 HB VAL 11 HB VAL 11 18.469 -2.125 -9.925
78 HG11 VAL 11 HG11 VAL 11 16.032 -2.047 -11.726
79 HG12 VAL 11 HG12 VAL 11 17.181 -0.704 -11.519
80 HG13 VAL 11 HG13 VAL 11 17.728 -2.246 -12.219
81 HG21 VAL 11 HG21 VAL 11 17.264 -0.784 -8.581
82 HG22 VAL 11 HG22 VAL 11 15.761 -1.057 -9.495
83 HG23 VAL 11 HG23 VAL 11 16.284 -2.237 -8.268
84 HA PRO 12 HA PRO 12 19.657 -6.083 -7.519
85 HB2 PRO 12 HB2 PRO 12 22.221 -5.338 -8.067
86 HB3 PRO 12 HB3 PRO 12 21.342 -6.569 -9.014
87 HG2 PRO 12 HG2 PRO 12 21.808 -3.656 -9.626
88 HG3 PRO 12 HG3 PRO 12 21.913 -5.074 -10.714
89 HD2 PRO 12 HD2 PRO 12 19.752 -3.422 -10.657
90 HD3 PRO 12 HD3 PRO 12 19.622 -5.173 -11.015
91 H GLY 13 H GLY 13 19.707 -5.488 -5.455
92 HA2 GLY 13 HA2 GLY 13 20.882 -4.201 -3.729
93 HA3 GLY 13 HA3 GLY 13 20.898 -2.811 -4.831
94 H LYS 14 H LYS 14 18.086 -3.332 -5.669
95 HA LYS 14 HA LYS 14 16.856 -1.842 -3.453
96 HB2 LYS 14 HB2 LYS 14 16.107 -2.514 -6.287
97 HB3 LYS 14 HB3 LYS 14 14.834 -2.025 -5.153
98 HG2 LYS 14 HG2 LYS 14 15.609 -0.107 -6.403
99 HG3 LYS 14 HG3 LYS 14 16.075 0.060 -4.693
100 HD2 LYS 14 HD2 LYS 14 18.328 -0.366 -5.133
101 HD3 LYS 14 HD3 LYS 14 17.974 -1.149 -6.694
102 HE2 LYS 14 HE2 LYS 14 18.788 0.887 -7.399
103 HE3 LYS 14 HE3 LYS 14 17.043 1.229 -7.324
104 HZ1 LYS 14 HZ1 LYS 14 18.686 1.736 -4.938
105 HZ2 LYS 14 HZ2 LYS 14 17.291 2.528 -5.474
106 HZ3 LYS 14 HZ3 LYS 14 18.776 2.831 -6.225
107 H ASN 15 H ASN 15 16.215 -4.868 -5.269
108 HA ASN 15 HA ASN 15 15.044 -6.753 -4.677
109 HB2 ASN 15 HB2 ASN 15 15.732 -5.804 -1.869
110 HB3 ASN 15 HB3 ASN 15 15.062 -7.404 -2.258
111 HD21 ASN 15 HD21 ASN 15 16.389 -9.000 -2.792
112 HD22 ASN 15 HD22 ASN 15 18.147 -8.799 -3.110
113 H GLU 16 H GLU 16 13.414 -4.763 -5.427
114 HA GLU 16 HA GLU 16 11.459 -3.955 -3.520
115 HB2 GLU 16 HB2 GLU 16 11.228 -4.368 -6.523
116 HB3 GLU 16 HB3 GLU 16 10.014 -3.547 -5.522
117 HG2 GLU 16 HG2 GLU 16 12.039 -2.046 -4.808
118 HG3 GLU 16 HG3 GLU 16 12.759 -2.651 -6.317
119 H CYS 17 H CYS 17 11.984 -6.956 -5.197
120 HA CYS 17 HA CYS 17 9.417 -8.069 -5.238
121 HB2 CYS 17 HB2 CYS 17 11.998 -9.502 -4.500
122 HB3 CYS 17 HB3 CYS 17 10.517 -10.256 -5.128
123 H CYS 18 H CYS 18 8.284 -9.497 -3.835
124 HA CYS 18 HA CYS 18 8.143 -8.540 -1.145
125 HB2 CYS 18 HB2 CYS 18 7.075 -11.170 -2.241
126 HB3 CYS 18 HB3 CYS 18 6.506 -10.308 -0.796
127 H SER 19 H SER 19 8.349 -9.863 0.828
128 HA SER 19 HA SER 19 10.979 -10.760 1.198
129 HB2 SER 19 HB2 SER 19 9.392 -10.121 3.019
130 HB3 SER 19 HB3 SER 19 8.528 -11.657 2.767
131 HG SER 19 HG SER 19 10.077 -11.775 4.481
132 H GLY 20 H GLY 20 12.077 -12.604 0.905
133 HA2 GLY 20 HA2 GLY 20 12.182 -15.022 0.837
134 HA3 GLY 20 HA3 GLY 20 10.494 -15.063 0.295
135 H TYR 21 H TYR 21 11.239 -12.717 -1.565
136 HA TYR 21 HA TYR 21 12.152 -14.502 -3.753
137 HB2 TYR 21 HB2 TYR 21 10.865 -11.746 -3.750
138 HB3 TYR 21 HB3 TYR 21 11.412 -12.583 -5.220
139 HD1 TYR 21 HD2 TYR 21 9.211 -13.128 -2.241
140 HD2 TYR 21 HD1 TYR 21 9.900 -13.904 -6.366
141 HE1 TYR 21 HE2 TYR 21 7.047 -14.288 -2.378
142 HE2 TYR 21 HE1 TYR 21 7.737 -15.066 -6.516
143 HH TYR 21 HH TYR 21 5.657 -15.464 -3.640
144 H ALA 22 H ALA 22 13.857 -14.009 -5.134
145 HA ALA 22 HA ALA 22 15.791 -12.049 -3.969
146 HB1 ALA 22 HB1 ALA 22 16.283 -14.617 -4.174
147 HB2 ALA 22 HB2 ALA 22 16.617 -14.213 -5.875
148 HB3 ALA 22 HB3 ALA 22 17.542 -13.425 -4.575
149 H CYS 23 H CYS 23 17.341 -11.098 -5.585
150 HA CYS 23 HA CYS 23 15.830 -10.418 -8.078
151 HB2 CYS 23 HB2 CYS 23 17.182 -8.756 -6.052
152 HB3 CYS 23 HB3 CYS 23 17.655 -8.368 -7.720
153 H SER 24 H SER 24 16.819 -10.592 -10.010
154 HA SER 24 HA SER 24 19.687 -11.449 -9.941
155 HB2 SER 24 HB2 SER 24 17.446 -12.868 -10.896
156 HB3 SER 24 HB3 SER 24 18.273 -12.267 -12.352
157 HG SER 24 HG SER 24 19.083 -14.314 -11.647
158 H SER 25 H SER 25 20.942 -9.866 -10.642
159 HA SER 25 HA SER 25 19.950 -7.742 -12.332
160 HB2 SER 25 HB2 SER 25 22.145 -6.824 -12.184
161 HB3 SER 25 HB3 SER 25 21.854 -7.619 -10.618
162 HG SER 25 HG SER 25 23.935 -8.116 -11.499
163 H ARG 26 H ARG 26 21.342 -10.862 -12.904
164 HA ARG 26 HA ARG 26 22.604 -10.524 -15.379
165 HB2 ARG 26 HB2 ARG 26 22.433 -12.641 -14.006
166 HB3 ARG 26 HB3 ARG 26 20.795 -12.855 -14.657
167 HG2 ARG 26 HG2 ARG 26 21.664 -13.032 -16.909
168 HG3 ARG 26 HG3 ARG 26 23.312 -12.683 -16.331
169 HD2 ARG 26 HD2 ARG 26 22.928 -15.095 -16.728
170 HD3 ARG 26 HD3 ARG 26 23.330 -14.733 -15.032
171 HE ARG 26 HE ARG 26 20.533 -14.704 -15.200
172 HH11 ARG 26 HH11 ARG 26 23.176 -16.982 -15.738
173 HH12 ARG 26 HH12 ARG 26 22.209 -18.396 -15.303
174 HH21 ARG 26 HH21 ARG 26 19.290 -16.533 -14.640
175 HH22 ARG 26 HH22 ARG 26 20.017 -18.142 -14.684
176 H ASP 27 H ASP 27 19.132 -11.094 -14.722
177 HA ASP 27 HA ASP 27 18.603 -10.235 -17.540
178 HB2 ASP 27 HB2 ASP 27 17.643 -12.501 -15.987
179 HB3 ASP 27 HB3 ASP 27 16.289 -11.495 -16.542
180 H LYS 28 H LYS 28 18.547 -9.203 -14.409
181 HA LYS 28 HA LYS 28 17.482 -7.482 -13.326
182 HB2 LYS 28 HB2 LYS 28 16.997 -6.791 -16.220
183 HB3 LYS 28 HB3 LYS 28 16.247 -5.815 -14.943
184 HG2 LYS 28 HG2 LYS 28 18.638 -5.646 -13.971
185 HG3 LYS 28 HG3 LYS 28 19.161 -6.186 -15.585
186 HD2 LYS 28 HD2 LYS 28 18.427 -4.259 -16.619
187 HD3 LYS 28 HD3 LYS 28 17.200 -3.928 -15.371
188 HE2 LYS 28 HE2 LYS 28 19.138 -3.488 -13.782
189 HE3 LYS 28 HE3 LYS 28 20.194 -3.516 -15.213
190 HZ1 LYS 28 HZ1 LYS 28 19.715 -1.316 -15.156
191 HZ2 LYS 28 HZ2 LYS 28 18.222 -1.519 -14.387
192 HZ3 LYS 28 HZ3 LYS 28 18.364 -1.806 -16.048
193 H TRP 29 H TRP 29 16.140 -9.742 -13.019
194 HA TRP 29 HA TRP 29 13.312 -8.816 -13.149
195 HB2 TRP 29 HB2 TRP 29 12.624 -11.187 -13.676
196 HB3 TRP 29 HB3 TRP 29 13.471 -10.353 -14.996
197 HD1 TRP 29 HD1 TRP 29 15.752 -11.595 -12.276
198 HE1 TRP 29 HE1 TRP 29 17.057 -13.691 -13.080
199 HE3 TRP 29 HE3 TRP 29 13.119 -12.524 -16.560
200 HZ2 TRP 29 HZ2 TRP 29 16.928 -15.472 -15.273
201 HZ3 TRP 29 HZ3 TRP 29 13.772 -14.442 -17.953
202 HH2 TRP 29 HH2 TRP 29 15.638 -15.885 -17.324
203 H CYS 30 H CYS 30 11.993 -10.769 -11.910
204 HA CYS 30 HA CYS 30 13.234 -10.717 -9.215
205 HB2 CYS 30 HB2 CYS 30 10.442 -10.981 -10.285
206 HB3 CYS 30 HB3 CYS 30 10.807 -11.697 -8.701
207 H LYS 31 H LYS 31 12.793 -12.660 -7.797
208 HA LYS 31 HA LYS 31 12.837 -15.205 -9.320
209 HB2 LYS 31 HB2 LYS 31 14.940 -14.552 -7.228
210 HB3 LYS 31 HB3 LYS 31 14.845 -16.002 -8.248
211 HG2 LYS 31 HG2 LYS 31 15.245 -13.207 -9.336
212 HG3 LYS 31 HG3 LYS 31 16.575 -14.320 -8.932
213 HD2 LYS 31 HD2 LYS 31 14.494 -15.529 -10.618
214 HD3 LYS 31 HD3 LYS 31 15.310 -14.141 -11.375
215 HE2 LYS 31 HE2 LYS 31 16.829 -15.695 -11.990
216 HE3 LYS 31 HE3 LYS 31 17.442 -15.460 -10.337
217 HZ1 LYS 31 HZ1 LYS 31 16.398 -17.397 -9.605
218 HZ2 LYS 31 HZ2 LYS 31 17.013 -17.833 -11.120
219 HZ3 LYS 31 HZ3 LYS 31 15.366 -17.486 -10.943
220 H VAL 32 H VAL 32 12.238 -17.038 -8.129
221 HA VAL 32 HA VAL 32 11.247 -16.456 -5.369
222 HB VAL 32 HB VAL 32 9.346 -16.421 -6.956
223 HG11 VAL 32 HG11 VAL 32 9.030 -17.943 -8.568
224 HG12 VAL 32 HG12 VAL 32 10.699 -18.467 -8.237
225 HG13 VAL 32 HG13 VAL 32 9.331 -19.303 -7.462
226 HG21 VAL 32 HG21 VAL 32 9.267 -17.356 -4.555
227 HG22 VAL 32 HG22 VAL 32 7.908 -17.730 -5.643
228 HG23 VAL 32 HG23 VAL 32 9.160 -18.956 -5.328
229 H LEU 33 H LEU 33 11.731 -17.933 -3.865
230 HA LEU 33 HA LEU 33 13.562 -20.049 -4.525
231 HB2 LEU 33 HB2 LEU 33 11.949 -19.576 -2.001
232 HB3 LEU 33 HB3 LEU 33 13.329 -20.686 -2.158
233 HG LEU 33 HG LEU 33 13.712 -17.776 -2.777
234 HD11 LEU 33 HD11 LEU 33 12.499 -17.855 -0.620
235 HD12 LEU 33 HD12 LEU 33 14.178 -17.288 -0.450
236 HD13 LEU 33 HD13 LEU 33 13.750 -18.950 0.017
237 HD21 LEU 33 HD21 LEU 33 15.416 -20.035 -1.702
238 HD22 LEU 33 HD22 LEU 33 15.951 -18.338 -1.748
239 HD23 LEU 33 HD23 LEU 33 15.565 -19.190 -3.263
240 H LEU 34 H LEU 34 13.304 -22.207 -4.787
241 HA LEU 34 HA LEU 34 10.497 -23.115 -5.132
242 HB2 LEU 34 HB2 LEU 34 13.173 -23.993 -6.156
243 HB3 LEU 34 HB3 LEU 34 11.857 -25.186 -6.061
244 HG LEU 34 HG LEU 34 11.492 -22.564 -7.508
245 HD11 LEU 34 HD11 LEU 34 12.930 -23.155 -9.094
246 HD12 LEU 34 HD12 LEU 34 11.985 -24.639 -9.373
247 HD13 LEU 34 HD13 LEU 34 13.334 -24.647 -8.211
248 HD21 LEU 34 HD21 LEU 34 10.189 -25.297 -7.623
249 HD22 LEU 34 HD22 LEU 34 9.881 -23.998 -8.799
250 HD23 LEU 34 HD23 LEU 34 9.463 -23.762 -7.085
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 0.696 0.956 0.275
2 H2 ALA 1 H2 ALA 1 -0.114 -0.347 -0.456
3 H3 ALA 1 H3 ALA 1 1.050 -0.637 0.746
4 HA ALA 1 HA ALA 1 1.526 0.541 -1.908
5 HB1 ALA 1 HB1 ALA 1 3.562 -0.292 0.172
6 HB2 ALA 1 HB2 ALA 1 3.845 0.582 -1.354
7 HB3 ALA 1 HB3 ALA 1 2.974 1.378 -0.020
8 H GLU 2 H GLU 2 2.038 -0.844 -3.503
9 HA GLU 2 HA GLU 2 1.784 -3.719 -2.866
10 HB2 GLU 2 HB2 GLU 2 1.533 -4.054 -5.237
11 HB3 GLU 2 HB3 GLU 2 0.534 -2.663 -4.770
12 HG2 GLU 2 HG2 GLU 2 2.617 -1.261 -5.471
13 HG3 GLU 2 HG3 GLU 2 3.084 -2.735 -6.351
14 H CYS 3 H CYS 3 3.245 -5.287 -3.932
15 HA CYS 3 HA CYS 3 6.026 -4.202 -4.108
16 HB2 CYS 3 HB2 CYS 3 6.863 -6.155 -2.932
17 HB3 CYS 3 HB3 CYS 3 5.621 -5.367 -1.937
18 H LYS 4 H LYS 4 7.523 -5.487 -5.361
19 HA LYS 4 HA LYS 4 6.512 -6.203 -7.886
20 HB2 LYS 4 HB2 LYS 4 9.074 -6.442 -6.447
21 HB3 LYS 4 HB3 LYS 4 8.838 -7.682 -7.693
22 HG2 LYS 4 HG2 LYS 4 10.024 -5.719 -8.557
23 HG3 LYS 4 HG3 LYS 4 8.461 -5.964 -9.374
24 HD2 LYS 4 HD2 LYS 4 7.440 -4.217 -8.047
25 HD3 LYS 4 HD3 LYS 4 8.921 -4.039 -7.075
26 HE2 LYS 4 HE2 LYS 4 10.135 -3.156 -8.921
27 HE3 LYS 4 HE3 LYS 4 8.859 -3.623 -10.071
28 HZ1 LYS 4 HZ1 LYS 4 7.395 -2.040 -8.735
29 HZ2 LYS 4 HZ2 LYS 4 8.562 -1.347 -9.743
30 HZ3 LYS 4 HZ3 LYS 4 8.832 -1.433 -8.075
31 H GLY 5 H GLY 5 7.009 -8.456 -8.915
32 HA2 GLY 5 HA2 GLY 5 5.748 -10.489 -7.102
33 HA3 GLY 5 HA3 GLY 5 5.413 -10.370 -8.840
34 H PHE 6 H PHE 6 6.227 -12.060 -9.863
35 HA PHE 6 HA PHE 6 8.941 -12.990 -9.012
36 HB2 PHE 6 HB2 PHE 6 7.345 -14.735 -8.596
37 HB3 PHE 6 HB3 PHE 6 6.592 -14.512 -10.192
38 HD1 PHE 6 HD1 PHE 6 10.154 -14.893 -9.126
39 HD2 PHE 6 HD2 PHE 6 6.916 -16.422 -11.425
40 HE1 PHE 6 HE1 PHE 6 11.639 -16.619 -10.059
41 HE2 PHE 6 HE2 PHE 6 8.394 -18.152 -12.361
42 HZ PHE 6 HZ PHE 6 10.758 -18.252 -11.678
43 H TRP 7 H TRP 7 6.805 -12.174 -11.705
44 HA TRP 7 HA TRP 7 9.107 -12.516 -13.572
45 HB2 TRP 7 HB2 TRP 7 6.748 -13.564 -13.967
46 HB3 TRP 7 HB3 TRP 7 6.272 -11.912 -14.422
47 HD1 TRP 7 HD1 TRP 7 7.291 -10.927 -16.691
48 HE1 TRP 7 HE1 TRP 7 8.372 -12.047 -18.769
49 HE3 TRP 7 HE3 TRP 7 8.233 -15.522 -14.658
50 HZ2 TRP 7 HZ2 TRP 7 9.468 -14.578 -19.396
51 HZ3 TRP 7 HZ3 TRP 7 9.300 -17.237 -16.064
52 HH2 TRP 7 HH2 TRP 7 9.905 -16.774 -18.384
53 H LYS 8 H LYS 8 7.908 -10.211 -11.627
54 HA LYS 8 HA LYS 8 7.596 -7.973 -13.404
55 HB2 LYS 8 HB2 LYS 8 8.141 -8.282 -10.449
56 HB3 LYS 8 HB3 LYS 8 8.174 -6.680 -11.212
57 HG2 LYS 8 HG2 LYS 8 5.828 -8.594 -11.262
58 HG3 LYS 8 HG3 LYS 8 6.002 -7.192 -10.176
59 HD2 LYS 8 HD2 LYS 8 6.318 -5.841 -12.380
60 HD3 LYS 8 HD3 LYS 8 5.574 -7.259 -13.158
61 HE2 LYS 8 HE2 LYS 8 3.696 -7.026 -11.452
62 HE3 LYS 8 HE3 LYS 8 4.397 -5.443 -11.044
63 HZ1 LYS 8 HZ1 LYS 8 2.535 -5.676 -12.853
64 HZ2 LYS 8 HZ2 LYS 8 3.838 -6.044 -13.866
65 HZ3 LYS 8 HZ3 LYS 8 3.794 -4.562 -13.048
66 H SER 9 H SER 9 9.093 -5.954 -12.975
67 HA SER 9 HA SER 9 11.866 -6.909 -13.555
68 HB2 SER 9 HB2 SER 9 10.325 -4.450 -14.451
69 HB3 SER 9 HB3 SER 9 12.092 -4.583 -14.620
70 HG SER 9 HG SER 9 10.959 -5.273 -16.515
71 H CYS 10 H CYS 10 13.350 -6.577 -12.061
72 HA CYS 10 HA CYS 10 13.076 -4.159 -10.334
73 HB2 CYS 10 HB2 CYS 10 13.609 -5.396 -8.350
74 HB3 CYS 10 HB3 CYS 10 12.281 -6.257 -9.155
75 H VAL 11 H VAL 11 15.148 -3.726 -9.097
76 HA VAL 11 HA VAL 11 17.461 -4.372 -10.887
77 HB VAL 11 HB VAL 11 18.426 -2.186 -9.921
78 HG11 VAL 11 HG11 VAL 11 16.118 -2.300 -11.869
79 HG12 VAL 11 HG12 VAL 11 17.045 -0.809 -11.571
80 HG13 VAL 11 HG13 VAL 11 17.863 -2.253 -12.214
81 HG21 VAL 11 HG21 VAL 11 16.206 -2.249 -8.329
82 HG22 VAL 11 HG22 VAL 11 17.160 -0.789 -8.685
83 HG23 VAL 11 HG23 VAL 11 15.685 -1.137 -9.619
84 HA PRO 12 HA PRO 12 19.626 -6.087 -7.467
85 HB2 PRO 12 HB2 PRO 12 22.188 -5.331 -8.019
86 HB3 PRO 12 HB3 PRO 12 21.321 -6.584 -8.947
87 HG2 PRO 12 HG2 PRO 12 21.767 -3.680 -9.608
88 HG3 PRO 12 HG3 PRO 12 21.887 -5.117 -10.670
89 HD2 PRO 12 HD2 PRO 12 19.714 -3.480 -10.650
90 HD3 PRO 12 HD3 PRO 12 19.598 -5.238 -10.976
91 H GLY 13 H GLY 13 19.875 -5.524 -5.399
92 HA2 GLY 13 HA2 GLY 13 20.960 -4.179 -3.702
93 HA3 GLY 13 HA3 GLY 13 20.972 -2.806 -4.824
94 H LYS 14 H LYS 14 18.174 -3.291 -5.661
95 HA LYS 14 HA LYS 14 16.944 -1.780 -3.468
96 HB2 LYS 14 HB2 LYS 14 16.191 -2.516 -6.283
97 HB3 LYS 14 HB3 LYS 14 14.912 -2.021 -5.157
98 HG2 LYS 14 HG2 LYS 14 15.659 -0.116 -6.439
99 HG3 LYS 14 HG3 LYS 14 16.137 0.085 -4.733
100 HD2 LYS 14 HD2 LYS 14 18.398 -0.405 -5.195
101 HD3 LYS 14 HD3 LYS 14 18.010 -1.093 -6.791
102 HE2 LYS 14 HE2 LYS 14 18.880 0.990 -7.338
103 HE3 LYS 14 HE3 LYS 14 17.126 1.293 -7.330
104 HZ1 LYS 14 HZ1 LYS 14 17.827 1.791 -4.768
105 HZ2 LYS 14 HZ2 LYS 14 17.655 2.969 -5.969
106 HZ3 LYS 14 HZ3 LYS 14 19.186 2.350 -5.604
107 H ASN 15 H ASN 15 16.214 -4.814 -5.246
108 HA ASN 15 HA ASN 15 15.083 -6.700 -4.586
109 HB2 ASN 15 HB2 ASN 15 16.795 -6.405 -2.640
110 HB3 ASN 15 HB3 ASN 15 15.387 -5.879 -1.692
111 HD21 ASN 15 HD21 ASN 15 16.361 -8.477 -3.943
112 HD22 ASN 15 HD22 ASN 15 15.571 -9.796 -3.010
113 H GLU 16 H GLU 16 13.443 -4.768 -5.402
114 HA GLU 16 HA GLU 16 11.483 -3.927 -3.491
115 HB2 GLU 16 HB2 GLU 16 11.319 -4.298 -6.503
116 HB3 GLU 16 HB3 GLU 16 10.053 -3.532 -5.525
117 HG2 GLU 16 HG2 GLU 16 12.914 -2.563 -5.707
118 HG3 GLU 16 HG3 GLU 16 11.558 -1.924 -6.666
119 H CYS 17 H CYS 17 12.025 -6.918 -5.178
120 HA CYS 17 HA CYS 17 9.458 -8.027 -5.266
121 HB2 CYS 17 HB2 CYS 17 12.045 -9.443 -4.514
122 HB3 CYS 17 HB3 CYS 17 10.565 -10.223 -5.112
123 H CYS 18 H CYS 18 8.368 -9.556 -3.885
124 HA CYS 18 HA CYS 18 8.156 -8.580 -1.192
125 HB2 CYS 18 HB2 CYS 18 7.107 -11.193 -2.349
126 HB3 CYS 18 HB3 CYS 18 6.532 -10.379 -0.878
127 H SER 19 H SER 19 8.344 -9.908 0.775
128 HA SER 19 HA SER 19 10.971 -10.807 1.171
129 HB2 SER 19 HB2 SER 19 9.849 -10.323 3.149
130 HB3 SER 19 HB3 SER 19 8.379 -11.194 2.652
131 HG SER 19 HG SER 19 9.570 -12.315 4.287
132 H GLY 20 H GLY 20 12.067 -12.670 0.944
133 HA2 GLY 20 HA2 GLY 20 12.185 -15.076 0.837
134 HA3 GLY 20 HA3 GLY 20 10.499 -15.121 0.289
135 H TYR 21 H TYR 21 11.233 -12.772 -1.566
136 HA TYR 21 HA TYR 21 12.182 -14.550 -3.749
137 HB2 TYR 21 HB2 TYR 21 10.847 -11.818 -3.766
138 HB3 TYR 21 HB3 TYR 21 11.404 -12.662 -5.227
139 HD1 TYR 21 HD2 TYR 21 9.202 -13.183 -2.248
140 HD2 TYR 21 HD1 TYR 21 9.925 -14.043 -6.350
141 HE1 TYR 21 HE2 TYR 21 7.055 -14.377 -2.368
142 HE2 TYR 21 HE1 TYR 21 7.779 -15.238 -6.484
143 HH TYR 21 HH TYR 21 5.759 -15.729 -3.599
144 H ALA 22 H ALA 22 13.891 -14.040 -5.112
145 HA ALA 22 HA ALA 22 15.772 -12.025 -3.953
146 HB1 ALA 22 HB1 ALA 22 17.568 -13.356 -4.592
147 HB2 ALA 22 HB2 ALA 22 16.355 -14.555 -4.082
148 HB3 ALA 22 HB3 ALA 22 16.616 -14.235 -5.813
149 H CYS 23 H CYS 23 17.308 -11.047 -5.559
150 HA CYS 23 HA CYS 23 15.809 -10.435 -8.077
151 HB2 CYS 23 HB2 CYS 23 17.091 -8.715 -6.055
152 HB3 CYS 23 HB3 CYS 23 17.567 -8.330 -7.722
153 H SER 24 H SER 24 16.822 -10.613 -9.993
154 HA SER 24 HA SER 24 19.714 -11.379 -9.882
155 HB2 SER 24 HB2 SER 24 17.522 -12.875 -10.847
156 HB3 SER 24 HB3 SER 24 18.367 -12.279 -12.297
157 HG SER 24 HG SER 24 19.295 -14.232 -11.658
158 H SER 25 H SER 25 20.945 -9.797 -10.622
159 HA SER 25 HA SER 25 19.907 -7.709 -12.330
160 HB2 SER 25 HB2 SER 25 21.666 -7.115 -10.827
161 HB3 SER 25 HB3 SER 25 22.702 -8.447 -11.397
162 HG SER 25 HG SER 25 23.319 -6.399 -12.275
163 H ARG 26 H ARG 26 21.332 -10.815 -12.878
164 HA ARG 26 HA ARG 26 22.584 -10.483 -15.360
165 HB2 ARG 26 HB2 ARG 26 22.187 -12.597 -13.820
166 HB3 ARG 26 HB3 ARG 26 20.808 -12.867 -14.903
167 HG2 ARG 26 HG2 ARG 26 23.570 -12.398 -16.002
168 HG3 ARG 26 HG3 ARG 26 23.060 -14.009 -15.436
169 HD2 ARG 26 HD2 ARG 26 21.002 -13.658 -16.955
170 HD3 ARG 26 HD3 ARG 26 21.950 -12.348 -17.698
171 HE ARG 26 HE ARG 26 23.653 -14.539 -17.700
172 HH11 ARG 26 HH11 ARG 26 20.423 -13.816 -18.929
173 HH12 ARG 26 HH12 ARG 26 20.567 -14.920 -20.302
174 HH21 ARG 26 HH21 ARG 26 23.831 -15.962 -19.473
175 HH22 ARG 26 HH22 ARG 26 22.487 -16.131 -20.608
176 H ASP 27 H ASP 27 19.123 -11.097 -14.685
177 HA ASP 27 HA ASP 27 18.572 -10.269 -17.509
178 HB2 ASP 27 HB2 ASP 27 17.643 -12.533 -15.924
179 HB3 ASP 27 HB3 ASP 27 16.278 -11.554 -16.505
180 H LYS 28 H LYS 28 18.496 -9.228 -14.373
181 HA LYS 28 HA LYS 28 17.407 -7.519 -13.298
182 HB2 LYS 28 HB2 LYS 28 16.928 -6.836 -16.196
183 HB3 LYS 28 HB3 LYS 28 16.162 -5.866 -14.923
184 HG2 LYS 28 HG2 LYS 28 18.476 -5.560 -13.935
185 HG3 LYS 28 HG3 LYS 28 19.110 -6.273 -15.438
186 HD2 LYS 28 HD2 LYS 28 19.187 -3.990 -15.884
187 HD3 LYS 28 HD3 LYS 28 17.639 -4.477 -16.618
188 HE2 LYS 28 HE2 LYS 28 17.599 -3.620 -13.762
189 HE3 LYS 28 HE3 LYS 28 17.877 -2.361 -14.989
190 HZ1 LYS 28 HZ1 LYS 28 15.811 -3.703 -16.048
191 HZ2 LYS 28 HZ2 LYS 28 15.648 -2.334 -15.068
192 HZ3 LYS 28 HZ3 LYS 28 15.475 -3.877 -14.400
193 H TRP 29 H TRP 29 16.087 -9.793 -12.995
194 HA TRP 29 HA TRP 29 13.251 -8.899 -13.144
195 HB2 TRP 29 HB2 TRP 29 12.590 -11.276 -13.671
196 HB3 TRP 29 HB3 TRP 29 13.438 -10.435 -14.987
197 HD1 TRP 29 HD1 TRP 29 15.719 -11.643 -12.257
198 HE1 TRP 29 HE1 TRP 29 17.049 -13.730 -13.044
199 HE3 TRP 29 HE3 TRP 29 13.110 -12.618 -16.544
200 HZ2 TRP 29 HZ2 TRP 29 16.946 -15.520 -15.232
201 HZ3 TRP 29 HZ3 TRP 29 13.789 -14.535 -17.928
202 HH2 TRP 29 HH2 TRP 29 15.668 -15.957 -17.286
203 H CYS 30 H CYS 30 11.945 -10.863 -11.908
204 HA CYS 30 HA CYS 30 13.166 -10.791 -9.206
205 HB2 CYS 30 HB2 CYS 30 10.388 -11.088 -10.299
206 HB3 CYS 30 HB3 CYS 30 10.746 -11.816 -8.718
207 H LYS 31 H LYS 31 12.834 -12.720 -7.789
208 HA LYS 31 HA LYS 31 12.894 -15.276 -9.303
209 HB2 LYS 31 HB2 LYS 31 14.989 -14.555 -7.223
210 HB3 LYS 31 HB3 LYS 31 14.913 -16.031 -8.205
211 HG2 LYS 31 HG2 LYS 31 15.312 -13.242 -9.316
212 HG3 LYS 31 HG3 LYS 31 16.619 -14.400 -8.970
213 HD2 LYS 31 HD2 LYS 31 14.464 -15.544 -10.593
214 HD3 LYS 31 HD3 LYS 31 15.255 -14.148 -11.364
215 HE2 LYS 31 HE2 LYS 31 17.301 -15.201 -11.489
216 HE3 LYS 31 HE3 LYS 31 16.961 -16.261 -10.100
217 HZ1 LYS 31 HZ1 LYS 31 15.167 -16.749 -12.270
218 HZ2 LYS 31 HZ2 LYS 31 16.179 -17.827 -11.448
219 HZ3 LYS 31 HZ3 LYS 31 16.777 -16.935 -12.755
220 H VAL 32 H VAL 32 12.336 -17.117 -8.103
221 HA VAL 32 HA VAL 32 11.335 -16.546 -5.344
222 HB VAL 32 HB VAL 32 9.427 -16.542 -6.916
223 HG11 VAL 32 HG11 VAL 32 10.727 -18.341 -8.386
224 HG12 VAL 32 HG12 VAL 32 9.737 -19.467 -7.425
225 HG13 VAL 32 HG13 VAL 32 8.953 -18.208 -8.407
226 HG21 VAL 32 HG21 VAL 32 9.343 -19.080 -5.278
227 HG22 VAL 32 HG22 VAL 32 9.332 -17.464 -4.533
228 HG23 VAL 32 HG23 VAL 32 8.020 -17.945 -5.637
229 H LEU 33 H LEU 33 11.867 -18.003 -3.841
230 HA LEU 33 HA LEU 33 13.674 -20.146 -4.567
231 HB2 LEU 33 HB2 LEU 33 12.272 -19.653 -1.925
232 HB3 LEU 33 HB3 LEU 33 13.725 -20.642 -2.196
233 HG LEU 33 HG LEU 33 13.757 -17.706 -2.850
234 HD11 LEU 33 HD11 LEU 33 14.483 -17.196 -0.591
235 HD12 LEU 33 HD12 LEU 33 14.260 -18.895 -0.107
236 HD13 LEU 33 HD13 LEU 33 12.852 -17.907 -0.561
237 HD21 LEU 33 HD21 LEU 33 15.853 -19.684 -1.902
238 HD22 LEU 33 HD22 LEU 33 16.135 -17.972 -2.301
239 HD23 LEU 33 HD23 LEU 33 15.627 -19.112 -3.572
240 H LEU 34 H LEU 34 13.350 -22.289 -4.780
241 HA LEU 34 HA LEU 34 10.506 -23.182 -4.654
242 HB2 LEU 34 HB2 LEU 34 11.057 -24.857 -6.249
243 HB3 LEU 34 HB3 LEU 34 11.757 -23.325 -6.825
244 HG LEU 34 HG LEU 34 13.915 -24.292 -5.587
245 HD11 LEU 34 HD11 LEU 34 13.005 -26.878 -6.688
246 HD12 LEU 34 HD12 LEU 34 12.245 -26.388 -5.153
247 HD13 LEU 34 HD13 LEU 34 14.016 -26.519 -5.268
248 HD21 LEU 34 HD21 LEU 34 12.918 -24.175 -8.268
249 HD22 LEU 34 HD22 LEU 34 13.853 -25.676 -8.069
250 HD23 LEU 34 HD23 LEU 34 14.601 -24.104 -7.694
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 0.859 2.105 -2.759
2 H2 ALA 1 H2 ALA 1 2.211 1.274 -2.153
3 H3 ALA 1 H3 ALA 1 2.414 2.484 -3.327
4 HA ALA 1 HA ALA 1 0.606 0.690 -4.349
5 HB1 ALA 1 HB1 ALA 1 3.463 1.453 -4.938
6 HB2 ALA 1 HB2 ALA 1 2.596 0.249 -5.921
7 HB3 ALA 1 HB3 ALA 1 1.978 1.915 -5.803
8 H GLU 2 H GLU 2 1.354 -1.499 -5.267
9 HA GLU 2 HA GLU 2 1.962 -3.176 -2.945
10 HB2 GLU 2 HB2 GLU 2 1.087 -3.643 -5.783
11 HB3 GLU 2 HB3 GLU 2 1.792 -4.989 -4.866
12 HG2 GLU 2 HG2 GLU 2 -0.480 -3.351 -3.760
13 HG3 GLU 2 HG3 GLU 2 -0.761 -4.711 -4.871
14 H CYS 3 H CYS 3 3.433 -5.168 -3.429
15 HA CYS 3 HA CYS 3 6.055 -4.015 -4.200
16 HB2 CYS 3 HB2 CYS 3 7.000 -6.015 -3.083
17 HB3 CYS 3 HB3 CYS 3 5.916 -5.103 -2.012
18 H LYS 4 H LYS 4 7.614 -5.466 -5.338
19 HA LYS 4 HA LYS 4 6.584 -6.183 -7.878
20 HB2 LYS 4 HB2 LYS 4 9.154 -6.400 -6.442
21 HB3 LYS 4 HB3 LYS 4 8.911 -7.652 -7.676
22 HG2 LYS 4 HG2 LYS 4 10.098 -5.679 -8.545
23 HG3 LYS 4 HG3 LYS 4 8.549 -5.964 -9.377
24 HD2 LYS 4 HD2 LYS 4 7.483 -4.200 -8.146
25 HD3 LYS 4 HD3 LYS 4 8.899 -4.015 -7.082
26 HE2 LYS 4 HE2 LYS 4 10.202 -3.059 -8.788
27 HE3 LYS 4 HE3 LYS 4 9.110 -3.640 -10.067
28 HZ1 LYS 4 HZ1 LYS 4 8.986 -1.194 -9.469
29 HZ2 LYS 4 HZ2 LYS 4 8.236 -1.668 -8.031
30 HZ3 LYS 4 HZ3 LYS 4 7.516 -2.031 -9.518
31 H GLY 5 H GLY 5 7.080 -8.456 -8.863
32 HA2 GLY 5 HA2 GLY 5 5.847 -10.458 -6.997
33 HA3 GLY 5 HA3 GLY 5 5.473 -10.364 -8.728
34 H PHE 6 H PHE 6 6.269 -12.064 -9.749
35 HA PHE 6 HA PHE 6 8.996 -12.988 -8.936
36 HB2 PHE 6 HB2 PHE 6 7.409 -14.730 -8.487
37 HB3 PHE 6 HB3 PHE 6 6.626 -14.512 -10.069
38 HD1 PHE 6 HD1 PHE 6 10.214 -14.881 -9.090
39 HD2 PHE 6 HD2 PHE 6 6.916 -16.442 -11.280
40 HE1 PHE 6 HE1 PHE 6 11.675 -16.614 -10.047
41 HE2 PHE 6 HE2 PHE 6 8.370 -18.180 -12.239
42 HZ PHE 6 HZ PHE 6 10.754 -18.266 -11.624
43 H TRP 7 H TRP 7 6.807 -12.256 -11.624
44 HA TRP 7 HA TRP 7 9.080 -12.604 -13.517
45 HB2 TRP 7 HB2 TRP 7 7.328 -12.405 -15.283
46 HB3 TRP 7 HB3 TRP 7 7.033 -13.750 -14.159
47 HD1 TRP 7 HD1 TRP 7 4.894 -13.588 -12.589
48 HE1 TRP 7 HE1 TRP 7 2.767 -12.100 -12.630
49 HE3 TRP 7 HE3 TRP 7 6.535 -10.020 -15.863
50 HZ2 TRP 7 HZ2 TRP 7 1.954 -9.718 -13.917
51 HZ3 TRP 7 HZ3 TRP 7 5.022 -8.171 -16.448
52 HH2 TRP 7 HH2 TRP 7 2.777 -8.023 -15.494
53 H LYS 8 H LYS 8 7.957 -10.267 -11.565
54 HA LYS 8 HA LYS 8 7.672 -8.037 -13.365
55 HB2 LYS 8 HB2 LYS 8 8.204 -8.322 -10.404
56 HB3 LYS 8 HB3 LYS 8 8.241 -6.730 -11.185
57 HG2 LYS 8 HG2 LYS 8 5.891 -8.641 -11.207
58 HG3 LYS 8 HG3 LYS 8 6.067 -7.219 -10.149
59 HD2 LYS 8 HD2 LYS 8 6.391 -5.914 -12.383
60 HD3 LYS 8 HD3 LYS 8 5.632 -7.344 -13.125
61 HE2 LYS 8 HE2 LYS 8 3.770 -6.069 -12.721
62 HE3 LYS 8 HE3 LYS 8 3.859 -6.980 -11.194
63 HZ1 LYS 8 HZ1 LYS 8 3.646 -4.337 -11.302
64 HZ2 LYS 8 HZ2 LYS 8 5.332 -4.464 -11.295
65 HZ3 LYS 8 HZ3 LYS 8 4.431 -5.143 -10.037
66 H SER 9 H SER 9 9.189 -6.046 -13.000
67 HA SER 9 HA SER 9 11.959 -7.050 -13.500
68 HB2 SER 9 HB2 SER 9 10.329 -4.800 -14.640
69 HB3 SER 9 HB3 SER 9 12.091 -4.580 -14.513
70 HG SER 9 HG SER 9 11.452 -5.509 -16.533
71 H CYS 10 H CYS 10 13.377 -6.727 -11.942
72 HA CYS 10 HA CYS 10 13.104 -4.237 -10.313
73 HB2 CYS 10 HB2 CYS 10 13.620 -5.418 -8.294
74 HB3 CYS 10 HB3 CYS 10 12.306 -6.309 -9.091
75 H VAL 11 H VAL 11 15.129 -3.640 -9.169
76 HA VAL 11 HA VAL 11 17.466 -4.337 -10.901
77 HB VAL 11 HB VAL 11 18.424 -2.153 -9.975
78 HG11 VAL 11 HG11 VAL 11 17.692 -2.290 -12.257
79 HG12 VAL 11 HG12 VAL 11 15.983 -2.155 -11.772
80 HG13 VAL 11 HG13 VAL 11 17.077 -0.766 -11.574
81 HG21 VAL 11 HG21 VAL 11 15.724 -1.078 -9.547
82 HG22 VAL 11 HG22 VAL 11 16.236 -2.248 -8.309
83 HG23 VAL 11 HG23 VAL 11 17.227 -0.806 -8.633
84 HA PRO 12 HA PRO 12 19.633 -6.055 -7.482
85 HB2 PRO 12 HB2 PRO 12 22.195 -5.308 -8.049
86 HB3 PRO 12 HB3 PRO 12 21.321 -6.563 -8.968
87 HG2 PRO 12 HG2 PRO 12 21.772 -3.662 -9.643
88 HG3 PRO 12 HG3 PRO 12 21.883 -5.103 -10.700
89 HD2 PRO 12 HD2 PRO 12 19.714 -3.459 -10.676
90 HD3 PRO 12 HD3 PRO 12 19.592 -5.219 -10.996
91 H GLY 13 H GLY 13 19.752 -5.440 -5.425
92 HA2 GLY 13 HA2 GLY 13 20.898 -4.105 -3.732
93 HA3 GLY 13 HA3 GLY 13 20.907 -2.737 -4.861
94 H LYS 14 H LYS 14 18.090 -3.303 -5.676
95 HA LYS 14 HA LYS 14 16.863 -1.761 -3.492
96 HB2 LYS 14 HB2 LYS 14 16.106 -2.507 -6.306
97 HB3 LYS 14 HB3 LYS 14 14.833 -2.000 -5.178
98 HG2 LYS 14 HG2 LYS 14 15.595 -0.111 -6.483
99 HG3 LYS 14 HG3 LYS 14 16.051 0.107 -4.775
100 HD2 LYS 14 HD2 LYS 14 18.311 -0.322 -5.196
101 HD3 LYS 14 HD3 LYS 14 17.967 -1.130 -6.746
102 HE2 LYS 14 HE2 LYS 14 17.248 1.043 -7.687
103 HE3 LYS 14 HE3 LYS 14 17.669 1.830 -6.147
104 HZ1 LYS 14 HZ1 LYS 14 19.341 1.553 -8.242
105 HZ2 LYS 14 HZ2 LYS 14 19.787 0.226 -7.294
106 HZ3 LYS 14 HZ3 LYS 14 19.840 1.786 -6.641
107 H ASN 15 H ASN 15 16.197 -4.822 -5.245
108 HA ASN 15 HA ASN 15 15.101 -6.722 -4.569
109 HB2 ASN 15 HB2 ASN 15 15.306 -5.786 -1.696
110 HB3 ASN 15 HB3 ASN 15 15.308 -7.448 -2.325
111 HD21 ASN 15 HD21 ASN 15 17.184 -5.626 -0.677
112 HD22 ASN 15 HD22 ASN 15 18.783 -5.921 -1.446
113 H GLU 16 H GLU 16 13.500 -4.682 -5.431
114 HA GLU 16 HA GLU 16 11.439 -3.883 -3.655
115 HB2 GLU 16 HB2 GLU 16 11.167 -4.456 -6.628
116 HB3 GLU 16 HB3 GLU 16 10.130 -3.400 -5.648
117 HG2 GLU 16 HG2 GLU 16 13.073 -2.946 -6.191
118 HG3 GLU 16 HG3 GLU 16 11.729 -2.149 -7.040
119 H CYS 17 H CYS 17 12.091 -6.935 -5.184
120 HA CYS 17 HA CYS 17 9.550 -8.093 -5.321
121 HB2 CYS 17 HB2 CYS 17 12.163 -9.382 -4.443
122 HB3 CYS 17 HB3 CYS 17 10.708 -10.266 -4.950
123 H CYS 18 H CYS 18 8.457 -9.614 -3.909
124 HA CYS 18 HA CYS 18 8.175 -8.510 -1.247
125 HB2 CYS 18 HB2 CYS 18 7.027 -11.046 -2.479
126 HB3 CYS 18 HB3 CYS 18 6.513 -10.327 -0.937
127 H SER 19 H SER 19 8.112 -9.986 0.710
128 HA SER 19 HA SER 19 10.734 -10.927 1.222
129 HB2 SER 19 HB2 SER 19 9.499 -10.348 3.130
130 HB3 SER 19 HB3 SER 19 8.072 -11.275 2.608
131 HG SER 19 HG SER 19 9.234 -12.314 4.315
132 H GLY 20 H GLY 20 11.782 -12.752 0.798
133 HA2 GLY 20 HA2 GLY 20 11.874 -15.165 0.714
134 HA3 GLY 20 HA3 GLY 20 10.156 -15.200 0.275
135 H TYR 21 H TYR 21 11.845 -12.759 -1.372
136 HA TYR 21 HA TYR 21 12.285 -14.587 -3.698
137 HB2 TYR 21 HB2 TYR 21 10.977 -11.842 -3.684
138 HB3 TYR 21 HB3 TYR 21 11.512 -12.678 -5.158
139 HD1 TYR 21 HD2 TYR 21 9.333 -13.200 -2.161
140 HD2 TYR 21 HD1 TYR 21 10.014 -14.047 -6.274
141 HE1 TYR 21 HE2 TYR 21 7.176 -14.377 -2.269
142 HE2 TYR 21 HE1 TYR 21 7.859 -15.225 -6.395
143 HH TYR 21 HH TYR 21 5.861 -15.714 -3.495
144 H ALA 22 H ALA 22 13.964 -14.069 -5.107
145 HA ALA 22 HA ALA 22 15.899 -12.101 -3.957
146 HB1 ALA 22 HB1 ALA 22 16.519 -14.568 -4.058
147 HB2 ALA 22 HB2 ALA 22 16.583 -14.375 -5.825
148 HB3 ALA 22 HB3 ALA 22 17.673 -13.425 -4.788
149 H CYS 23 H CYS 23 17.416 -11.124 -5.584
150 HA CYS 23 HA CYS 23 15.866 -10.441 -8.052
151 HB2 CYS 23 HB2 CYS 23 17.227 -8.781 -6.033
152 HB3 CYS 23 HB3 CYS 23 17.676 -8.376 -7.704
153 H SER 24 H SER 24 16.836 -10.573 -10.000
154 HA SER 24 HA SER 24 19.712 -11.402 -9.976
155 HB2 SER 24 HB2 SER 24 17.556 -12.926 -10.816
156 HB3 SER 24 HB3 SER 24 18.141 -12.210 -12.335
157 HG SER 24 HG SER 24 19.193 -14.206 -11.826
158 H SER 25 H SER 25 20.932 -9.795 -10.689
159 HA SER 25 HA SER 25 19.883 -7.683 -12.360
160 HB2 SER 25 HB2 SER 25 21.661 -7.135 -10.850
161 HB3 SER 25 HB3 SER 25 22.694 -8.437 -11.485
162 HG SER 25 HG SER 25 23.278 -6.356 -12.307
163 H ARG 26 H ARG 26 21.309 -10.781 -12.959
164 HA ARG 26 HA ARG 26 22.535 -10.419 -15.450
165 HB2 ARG 26 HB2 ARG 26 22.157 -12.552 -13.935
166 HB3 ARG 26 HB3 ARG 26 20.763 -12.810 -15.002
167 HG2 ARG 26 HG2 ARG 26 22.203 -12.883 -16.942
168 HG3 ARG 26 HG3 ARG 26 23.621 -12.468 -15.947
169 HD2 ARG 26 HD2 ARG 26 21.997 -14.860 -15.180
170 HD3 ARG 26 HD3 ARG 26 23.048 -14.980 -16.612
171 HE ARG 26 HE ARG 26 24.590 -13.859 -14.534
172 HH11 ARG 26 HH11 ARG 26 22.896 -16.863 -15.289
173 HH12 ARG 26 HH12 ARG 26 23.998 -17.866 -14.340
174 HH21 ARG 26 HH21 ARG 26 26.008 -15.160 -13.309
175 HH22 ARG 26 HH22 ARG 26 25.752 -16.906 -13.223
176 H ASP 27 H ASP 27 19.080 -11.043 -14.750
177 HA ASP 27 HA ASP 27 18.502 -10.182 -17.558
178 HB2 ASP 27 HB2 ASP 27 17.599 -12.470 -16.003
179 HB3 ASP 27 HB3 ASP 27 16.221 -11.481 -16.534
180 H LYS 28 H LYS 28 18.468 -9.164 -14.421
181 HA LYS 28 HA LYS 28 17.392 -7.464 -13.316
182 HB2 LYS 28 HB2 LYS 28 16.860 -6.769 -16.200
183 HB3 LYS 28 HB3 LYS 28 16.109 -5.811 -14.909
184 HG2 LYS 28 HG2 LYS 28 18.440 -5.502 -13.957
185 HG3 LYS 28 HG3 LYS 28 19.048 -6.191 -15.482
186 HD2 LYS 28 HD2 LYS 28 19.101 -3.895 -15.883
187 HD3 LYS 28 HD3 LYS 28 17.558 -4.396 -16.619
188 HE2 LYS 28 HE2 LYS 28 17.506 -3.586 -13.751
189 HE3 LYS 28 HE3 LYS 28 17.776 -2.301 -14.954
190 HZ1 LYS 28 HZ1 LYS 28 15.675 -3.974 -15.820
191 HZ2 LYS 28 HZ2 LYS 28 15.628 -2.327 -15.437
192 HZ3 LYS 28 HZ3 LYS 28 15.359 -3.483 -14.232
193 H TRP 29 H TRP 29 16.088 -9.746 -13.001
194 HA TRP 29 HA TRP 29 13.244 -8.865 -13.094
195 HB2 TRP 29 HB2 TRP 29 12.587 -11.245 -13.619
196 HB3 TRP 29 HB3 TRP 29 13.406 -10.392 -14.946
197 HD1 TRP 29 HD1 TRP 29 15.741 -11.605 -12.263
198 HE1 TRP 29 HE1 TRP 29 17.070 -13.677 -13.091
199 HE3 TRP 29 HE3 TRP 29 13.067 -12.561 -16.515
200 HZ2 TRP 29 HZ2 TRP 29 16.941 -15.452 -15.290
201 HZ3 TRP 29 HZ3 TRP 29 13.734 -14.464 -17.926
202 HH2 TRP 29 HH2 TRP 29 15.632 -15.878 -17.325
203 H CYS 30 H CYS 30 11.972 -10.842 -11.845
204 HA CYS 30 HA CYS 30 13.244 -10.779 -9.164
205 HB2 CYS 30 HB2 CYS 30 10.446 -11.076 -10.205
206 HB3 CYS 30 HB3 CYS 30 10.837 -11.809 -8.633
207 H LYS 31 H LYS 31 12.864 -12.731 -7.748
208 HA LYS 31 HA LYS 31 12.929 -15.272 -9.281
209 HB2 LYS 31 HB2 LYS 31 15.046 -14.595 -7.213
210 HB3 LYS 31 HB3 LYS 31 14.964 -16.036 -8.245
211 HG2 LYS 31 HG2 LYS 31 15.303 -13.223 -9.306
212 HG3 LYS 31 HG3 LYS 31 16.656 -14.320 -8.935
213 HD2 LYS 31 HD2 LYS 31 14.565 -15.535 -10.609
214 HD3 LYS 31 HD3 LYS 31 15.364 -14.131 -11.358
215 HE2 LYS 31 HE2 LYS 31 16.881 -15.677 -12.010
216 HE3 LYS 31 HE3 LYS 31 17.518 -15.438 -10.365
217 HZ1 LYS 31 HZ1 LYS 31 15.453 -17.484 -10.936
218 HZ2 LYS 31 HZ2 LYS 31 16.510 -17.387 -9.620
219 HZ3 LYS 31 HZ3 LYS 31 17.098 -17.814 -11.148
220 H VAL 32 H VAL 32 12.360 -17.112 -8.096
221 HA VAL 32 HA VAL 32 11.414 -16.565 -5.313
222 HB VAL 32 HB VAL 32 9.485 -16.527 -6.868
223 HG11 VAL 32 HG11 VAL 32 9.642 -19.444 -7.376
224 HG12 VAL 32 HG12 VAL 32 9.031 -18.126 -8.406
225 HG13 VAL 32 HG13 VAL 32 10.782 -18.429 -8.290
226 HG21 VAL 32 HG21 VAL 32 9.067 -17.231 -4.615
227 HG22 VAL 32 HG22 VAL 32 8.145 -18.304 -5.696
228 HG23 VAL 32 HG23 VAL 32 9.661 -18.875 -4.959
229 H LEU 33 H LEU 33 11.945 -18.049 -3.835
230 HA LEU 33 HA LEU 33 13.394 -20.448 -4.831
231 HB2 LEU 33 HB2 LEU 33 13.225 -19.570 -1.953
232 HB3 LEU 33 HB3 LEU 33 14.483 -20.534 -2.760
233 HG LEU 33 HG LEU 33 14.832 -18.250 -4.098
234 HD11 LEU 33 HD11 LEU 33 13.778 -16.485 -3.259
235 HD12 LEU 33 HD12 LEU 33 14.557 -16.765 -1.682
236 HD13 LEU 33 HD13 LEU 33 12.989 -17.522 -2.045
237 HD21 LEU 33 HD21 LEU 33 16.582 -17.679 -2.427
238 HD22 LEU 33 HD22 LEU 33 16.571 -19.401 -2.876
239 HD23 LEU 33 HD23 LEU 33 15.875 -18.881 -1.320
240 H LEU 34 H LEU 34 12.909 -22.534 -4.181
241 HA LEU 34 HA LEU 34 10.102 -23.009 -3.652
242 HB2 LEU 34 HB2 LEU 34 12.553 -24.697 -4.023
243 HB3 LEU 34 HB3 LEU 34 11.089 -25.438 -3.336
244 HG LEU 34 HG LEU 34 11.273 -25.830 -5.751
245 HD11 LEU 34 HD11 LEU 34 9.053 -25.250 -4.400
246 HD12 LEU 34 HD12 LEU 34 9.044 -25.569 -6.150
247 HD13 LEU 34 HD13 LEU 34 9.015 -23.893 -5.552
248 HD21 LEU 34 HD21 LEU 34 12.448 -23.519 -6.064
249 HD22 LEU 34 HD22 LEU 34 10.787 -22.909 -6.255
250 HD23 LEU 34 HD23 LEU 34 11.405 -24.165 -7.355
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 -0.011 0.811 -6.681
2 H2 ALA 1 H2 ALA 1 1.250 -0.299 -6.925
3 H3 ALA 1 H3 ALA 1 -0.211 -0.814 -6.231
4 HA ALA 1 HA ALA 1 1.894 0.874 -5.094
5 HB1 ALA 1 HB1 ALA 1 -0.107 2.088 -4.630
6 HB2 ALA 1 HB2 ALA 1 -0.986 0.599 -4.200
7 HB3 ALA 1 HB3 ALA 1 0.323 1.196 -3.149
8 H GLU 2 H GLU 2 1.662 -1.966 -5.975
9 HA GLU 2 HA GLU 2 1.911 -3.238 -3.276
10 HB2 GLU 2 HB2 GLU 2 0.961 -4.333 -5.933
11 HB3 GLU 2 HB3 GLU 2 1.534 -5.405 -4.640
12 HG2 GLU 2 HG2 GLU 2 -0.178 -4.209 -3.147
13 HG3 GLU 2 HG3 GLU 2 -0.869 -3.591 -4.665
14 H CYS 3 H CYS 3 3.483 -5.009 -3.118
15 HA CYS 3 HA CYS 3 6.033 -4.158 -4.149
16 HB2 CYS 3 HB2 CYS 3 6.934 -6.087 -2.980
17 HB3 CYS 3 HB3 CYS 3 5.695 -5.321 -1.963
18 H LYS 4 H LYS 4 7.539 -5.478 -5.391
19 HA LYS 4 HA LYS 4 6.512 -6.191 -7.911
20 HB2 LYS 4 HB2 LYS 4 9.078 -6.447 -6.481
21 HB3 LYS 4 HB3 LYS 4 8.826 -7.687 -7.725
22 HG2 LYS 4 HG2 LYS 4 10.023 -5.746 -8.610
23 HG3 LYS 4 HG3 LYS 4 8.441 -5.957 -9.401
24 HD2 LYS 4 HD2 LYS 4 7.478 -4.196 -8.049
25 HD3 LYS 4 HD3 LYS 4 8.981 -4.049 -7.105
26 HE2 LYS 4 HE2 LYS 4 10.125 -3.523 -9.338
27 HE3 LYS 4 HE3 LYS 4 8.484 -3.316 -9.995
28 HZ1 LYS 4 HZ1 LYS 4 8.291 -1.339 -9.019
29 HZ2 LYS 4 HZ2 LYS 4 9.959 -1.395 -8.744
30 HZ3 LYS 4 HZ3 LYS 4 8.886 -1.891 -7.534
31 H GLY 5 H GLY 5 6.978 -8.446 -8.939
32 HA2 GLY 5 HA2 GLY 5 5.698 -10.462 -7.122
33 HA3 GLY 5 HA3 GLY 5 5.384 -10.353 -8.864
34 H PHE 6 H PHE 6 6.226 -12.005 -9.915
35 HA PHE 6 HA PHE 6 8.915 -12.963 -9.015
36 HB2 PHE 6 HB2 PHE 6 7.301 -14.696 -8.596
37 HB3 PHE 6 HB3 PHE 6 6.573 -14.489 -10.205
38 HD1 PHE 6 HD1 PHE 6 10.048 -15.018 -8.912
39 HD2 PHE 6 HD2 PHE 6 6.978 -16.265 -11.580
40 HE1 PHE 6 HE1 PHE 6 11.538 -16.762 -9.804
41 HE2 PHE 6 HE2 PHE 6 8.460 -18.012 -12.478
42 HZ PHE 6 HZ PHE 6 10.744 -18.260 -11.590
43 H TRP 7 H TRP 7 6.813 -12.117 -11.717
44 HA TRP 7 HA TRP 7 9.121 -12.497 -13.569
45 HB2 TRP 7 HB2 TRP 7 6.144 -12.574 -13.890
46 HB3 TRP 7 HB3 TRP 7 7.107 -11.976 -15.260
47 HD1 TRP 7 HD1 TRP 7 5.934 -15.131 -13.668
48 HE1 TRP 7 HE1 TRP 7 7.009 -17.201 -14.809
49 HE3 TRP 7 HE3 TRP 7 9.531 -12.708 -16.376
50 HZ2 TRP 7 HZ2 TRP 7 9.125 -17.670 -16.627
51 HZ3 TRP 7 HZ3 TRP 7 11.041 -14.041 -17.790
52 HH2 TRP 7 HH2 TRP 7 10.841 -16.471 -17.912
53 H LYS 8 H LYS 8 7.911 -10.177 -11.650
54 HA LYS 8 HA LYS 8 7.611 -7.949 -13.440
55 HB2 LYS 8 HB2 LYS 8 8.161 -8.235 -10.482
56 HB3 LYS 8 HB3 LYS 8 8.179 -6.639 -11.261
57 HG2 LYS 8 HG2 LYS 8 5.847 -8.569 -11.308
58 HG3 LYS 8 HG3 LYS 8 6.014 -7.182 -10.205
59 HD2 LYS 8 HD2 LYS 8 6.236 -5.731 -12.285
60 HD3 LYS 8 HD3 LYS 8 5.717 -7.158 -13.217
61 HE2 LYS 8 HE2 LYS 8 3.685 -7.256 -11.705
62 HE3 LYS 8 HE3 LYS 8 4.179 -5.665 -11.078
63 HZ1 LYS 8 HZ1 LYS 8 3.165 -6.382 -13.747
64 HZ2 LYS 8 HZ2 LYS 8 4.211 -5.061 -13.599
65 HZ3 LYS 8 HZ3 LYS 8 2.747 -5.081 -12.752
66 H SER 9 H SER 9 9.118 -5.927 -12.986
67 HA SER 9 HA SER 9 11.884 -6.891 -13.584
68 HB2 SER 9 HB2 SER 9 10.362 -4.407 -14.442
69 HB3 SER 9 HB3 SER 9 12.124 -4.565 -14.633
70 HG SER 9 HG SER 9 10.961 -5.219 -16.522
71 H CYS 10 H CYS 10 13.357 -6.601 -12.072
72 HA CYS 10 HA CYS 10 13.143 -4.174 -10.356
73 HB2 CYS 10 HB2 CYS 10 13.589 -5.412 -8.351
74 HB3 CYS 10 HB3 CYS 10 12.230 -6.213 -9.167
75 H VAL 11 H VAL 11 15.178 -3.668 -9.207
76 HA VAL 11 HA VAL 11 17.510 -4.529 -10.874
77 HB VAL 11 HB VAL 11 18.532 -2.322 -10.032
78 HG11 VAL 11 HG11 VAL 11 16.197 -2.367 -11.964
79 HG12 VAL 11 HG12 VAL 11 17.337 -1.009 -11.803
80 HG13 VAL 11 HG13 VAL 11 17.921 -2.605 -12.336
81 HG21 VAL 11 HG21 VAL 11 17.147 -0.630 -9.197
82 HG22 VAL 11 HG22 VAL 11 15.658 -1.474 -9.687
83 HG23 VAL 11 HG23 VAL 11 16.614 -2.082 -8.314
84 HA PRO 12 HA PRO 12 19.542 -6.098 -7.303
85 HB2 PRO 12 HB2 PRO 12 22.139 -5.466 -7.844
86 HB3 PRO 12 HB3 PRO 12 21.248 -6.746 -8.710
87 HG2 PRO 12 HG2 PRO 12 21.811 -3.905 -9.541
88 HG3 PRO 12 HG3 PRO 12 21.902 -5.408 -10.508
89 HD2 PRO 12 HD2 PRO 12 19.787 -3.701 -10.640
90 HD3 PRO 12 HD3 PRO 12 19.617 -5.472 -10.861
91 H GLY 13 H GLY 13 19.761 -5.412 -5.271
92 HA2 GLY 13 HA2 GLY 13 20.886 -3.994 -3.649
93 HA3 GLY 13 HA3 GLY 13 20.919 -2.688 -4.850
94 H LYS 14 H LYS 14 18.075 -3.328 -5.620
95 HA LYS 14 HA LYS 14 16.868 -1.648 -3.514
96 HB2 LYS 14 HB2 LYS 14 16.100 -2.483 -6.305
97 HB3 LYS 14 HB3 LYS 14 14.857 -1.863 -5.202
98 HG2 LYS 14 HG2 LYS 14 15.663 -0.054 -6.555
99 HG3 LYS 14 HG3 LYS 14 16.230 0.188 -4.883
100 HD2 LYS 14 HD2 LYS 14 18.434 -0.480 -5.426
101 HD3 LYS 14 HD3 LYS 14 17.927 -1.172 -6.986
102 HE2 LYS 14 HE2 LYS 14 18.904 0.837 -7.620
103 HE3 LYS 14 HE3 LYS 14 17.177 1.258 -7.537
104 HZ1 LYS 14 HZ1 LYS 14 18.999 2.738 -6.394
105 HZ2 LYS 14 HZ2 LYS 14 18.818 1.630 -5.129
106 HZ3 LYS 14 HZ3 LYS 14 17.485 2.516 -5.676
107 H ASN 15 H ASN 15 16.360 -4.823 -5.072
108 HA ASN 15 HA ASN 15 15.154 -6.658 -4.394
109 HB2 ASN 15 HB2 ASN 15 15.595 -5.496 -1.614
110 HB3 ASN 15 HB3 ASN 15 15.134 -7.173 -1.984
111 HD21 ASN 15 HD21 ASN 15 16.727 -8.544 -1.820
112 HD22 ASN 15 HD22 ASN 15 18.449 -8.200 -2.206
113 H GLU 16 H GLU 16 13.528 -4.803 -5.400
114 HA GLU 16 HA GLU 16 11.465 -3.900 -3.621
115 HB2 GLU 16 HB2 GLU 16 11.222 -4.469 -6.595
116 HB3 GLU 16 HB3 GLU 16 10.210 -3.380 -5.626
117 HG2 GLU 16 HG2 GLU 16 13.168 -3.012 -6.150
118 HG3 GLU 16 HG3 GLU 16 11.854 -2.185 -7.020
119 H CYS 17 H CYS 17 12.107 -6.934 -5.216
120 HA CYS 17 HA CYS 17 9.552 -8.069 -5.351
121 HB2 CYS 17 HB2 CYS 17 12.152 -9.422 -4.527
122 HB3 CYS 17 HB3 CYS 17 10.688 -10.255 -5.092
123 H CYS 18 H CYS 18 8.491 -9.647 -3.964
124 HA CYS 18 HA CYS 18 8.190 -8.603 -1.292
125 HB2 CYS 18 HB2 CYS 18 7.170 -11.204 -2.500
126 HB3 CYS 18 HB3 CYS 18 6.603 -10.470 -0.985
127 H SER 19 H SER 19 8.326 -9.923 0.693
128 HA SER 19 HA SER 19 10.955 -10.800 1.157
129 HB2 SER 19 HB2 SER 19 9.724 -10.245 3.078
130 HB3 SER 19 HB3 SER 19 8.337 -11.251 2.597
131 HG SER 19 HG SER 19 9.582 -12.201 4.299
132 H GLY 20 H GLY 20 12.067 -12.634 0.887
133 HA2 GLY 20 HA2 GLY 20 12.202 -15.047 0.839
134 HA3 GLY 20 HA3 GLY 20 10.516 -15.115 0.294
135 H TYR 21 H TYR 21 11.237 -12.786 -1.595
136 HA TYR 21 HA TYR 21 12.193 -14.589 -3.752
137 HB2 TYR 21 HB2 TYR 21 10.834 -11.869 -3.801
138 HB3 TYR 21 HB3 TYR 21 11.411 -12.715 -5.254
139 HD1 TYR 21 HD2 TYR 21 9.218 -13.286 -2.272
140 HD2 TYR 21 HD1 TYR 21 9.934 -14.082 -6.390
141 HE1 TYR 21 HE2 TYR 21 7.087 -14.507 -2.400
142 HE2 TYR 21 HE1 TYR 21 7.805 -15.306 -6.530
143 HH TYR 21 HH TYR 21 5.805 -15.861 -3.643
144 H ALA 22 H ALA 22 13.895 -14.084 -5.129
145 HA ALA 22 HA ALA 22 15.770 -12.045 -3.997
146 HB1 ALA 22 HB1 ALA 22 17.577 -13.366 -4.674
147 HB2 ALA 22 HB2 ALA 22 16.392 -14.547 -4.063
148 HB3 ALA 22 HB3 ALA 22 16.587 -14.306 -5.816
149 H CYS 23 H CYS 23 17.296 -11.079 -5.617
150 HA CYS 23 HA CYS 23 15.788 -10.504 -8.139
151 HB2 CYS 23 HB2 CYS 23 17.119 -8.754 -6.156
152 HB3 CYS 23 HB3 CYS 23 17.502 -8.376 -7.850
153 H SER 24 H SER 24 16.799 -10.697 -10.056
154 HA SER 24 HA SER 24 19.671 -11.526 -9.937
155 HB2 SER 24 HB2 SER 24 17.473 -12.921 -10.962
156 HB3 SER 24 HB3 SER 24 18.266 -12.240 -12.403
157 HG SER 24 HG SER 24 19.121 -14.303 -11.804
158 H SER 25 H SER 25 20.953 -9.917 -10.534
159 HA SER 25 HA SER 25 20.034 -7.746 -12.203
160 HB2 SER 25 HB2 SER 25 21.778 -7.429 -10.495
161 HB3 SER 25 HB3 SER 25 22.854 -8.544 -11.374
162 HG SER 25 HG SER 25 22.318 -6.904 -13.212
163 H ARG 26 H ARG 26 21.021 -10.894 -12.898
164 HA ARG 26 HA ARG 26 22.510 -10.466 -15.309
165 HB2 ARG 26 HB2 ARG 26 22.191 -12.620 -13.883
166 HB3 ARG 26 HB3 ARG 26 20.716 -12.854 -14.843
167 HG2 ARG 26 HG2 ARG 26 22.246 -12.592 -16.897
168 HG3 ARG 26 HG3 ARG 26 23.586 -12.854 -15.753
169 HD2 ARG 26 HD2 ARG 26 22.583 -14.986 -15.065
170 HD3 ARG 26 HD3 ARG 26 21.235 -14.720 -16.196
171 HE ARG 26 HE ARG 26 23.894 -15.703 -16.820
172 HH11 ARG 26 HH11 ARG 26 21.113 -13.908 -18.049
173 HH12 ARG 26 HH12 ARG 26 21.459 -14.291 -19.740
174 HH21 ARG 26 HH21 ARG 26 24.332 -16.195 -19.004
175 HH22 ARG 26 HH22 ARG 26 23.273 -15.581 -20.278
176 H ASP 27 H ASP 27 19.039 -11.094 -14.698
177 HA ASP 27 HA ASP 27 18.526 -10.185 -17.504
178 HB2 ASP 27 HB2 ASP 27 17.586 -12.495 -16.009
179 HB3 ASP 27 HB3 ASP 27 16.219 -11.493 -16.542
180 H LYS 28 H LYS 28 18.433 -9.208 -14.358
181 HA LYS 28 HA LYS 28 17.342 -7.518 -13.253
182 HB2 LYS 28 HB2 LYS 28 16.864 -6.790 -16.138
183 HB3 LYS 28 HB3 LYS 28 16.086 -5.847 -14.853
184 HG2 LYS 28 HG2 LYS 28 17.975 -4.621 -15.036
185 HG3 LYS 28 HG3 LYS 28 18.601 -5.854 -13.915
186 HD2 LYS 28 HD2 LYS 28 19.969 -6.757 -15.471
187 HD3 LYS 28 HD3 LYS 28 18.777 -6.558 -16.780
188 HE2 LYS 28 HE2 LYS 28 20.162 -4.156 -15.615
189 HE3 LYS 28 HE3 LYS 28 21.000 -5.178 -16.808
190 HZ1 LYS 28 HZ1 LYS 28 19.535 -3.148 -17.543
191 HZ2 LYS 28 HZ2 LYS 28 18.272 -4.266 -17.414
192 HZ3 LYS 28 HZ3 LYS 28 19.566 -4.569 -18.461
193 H TRP 29 H TRP 29 16.029 -9.799 -12.982
194 HA TRP 29 HA TRP 29 13.189 -8.915 -13.120
195 HB2 TRP 29 HB2 TRP 29 12.542 -11.293 -13.668
196 HB3 TRP 29 HB3 TRP 29 13.380 -10.429 -14.978
197 HD1 TRP 29 HD1 TRP 29 15.661 -11.672 -12.255
198 HE1 TRP 29 HE1 TRP 29 17.012 -13.730 -13.081
199 HE3 TRP 29 HE3 TRP 29 13.090 -12.569 -16.583
200 HZ2 TRP 29 HZ2 TRP 29 16.939 -15.472 -15.308
201 HZ3 TRP 29 HZ3 TRP 29 13.796 -14.449 -18.005
202 HH2 TRP 29 HH2 TRP 29 15.680 -15.870 -17.380
203 H CYS 30 H CYS 30 11.891 -10.895 -11.906
204 HA CYS 30 HA CYS 30 13.112 -10.849 -9.203
205 HB2 CYS 30 HB2 CYS 30 10.340 -11.112 -10.303
206 HB3 CYS 30 HB3 CYS 30 10.684 -11.905 -8.751
207 H LYS 31 H LYS 31 12.817 -12.787 -7.807
208 HA LYS 31 HA LYS 31 12.843 -15.335 -9.335
209 HB2 LYS 31 HB2 LYS 31 15.001 -14.646 -7.311
210 HB3 LYS 31 HB3 LYS 31 14.901 -16.092 -8.335
211 HG2 LYS 31 HG2 LYS 31 15.216 -13.283 -9.414
212 HG3 LYS 31 HG3 LYS 31 16.576 -14.382 -9.071
213 HD2 LYS 31 HD2 LYS 31 14.445 -15.597 -10.694
214 HD3 LYS 31 HD3 LYS 31 15.229 -14.196 -11.465
215 HE2 LYS 31 HE2 LYS 31 16.728 -15.744 -12.146
216 HE3 LYS 31 HE3 LYS 31 17.402 -15.506 -10.517
217 HZ1 LYS 31 HZ1 LYS 31 15.871 -17.760 -11.592
218 HZ2 LYS 31 HZ2 LYS 31 15.632 -17.367 -9.965
219 HZ3 LYS 31 HZ3 LYS 31 17.182 -17.754 -10.523
220 H VAL 32 H VAL 32 12.416 -17.205 -8.080
221 HA VAL 32 HA VAL 32 11.459 -16.627 -5.311
222 HB VAL 32 HB VAL 32 9.506 -16.672 -6.821
223 HG11 VAL 32 HG11 VAL 32 9.049 -18.323 -8.322
224 HG12 VAL 32 HG12 VAL 32 10.823 -18.475 -8.305
225 HG13 VAL 32 HG13 VAL 32 9.822 -19.587 -7.340
226 HG21 VAL 32 HG21 VAL 32 9.534 -19.208 -5.174
227 HG22 VAL 32 HG22 VAL 32 9.490 -17.588 -4.441
228 HG23 VAL 32 HG23 VAL 32 8.168 -18.117 -5.507
229 H LEU 33 H LEU 33 12.068 -18.056 -3.812
230 HA LEU 33 HA LEU 33 13.893 -20.172 -4.571
231 HB2 LEU 33 HB2 LEU 33 12.561 -19.589 -1.910
232 HB3 LEU 33 HB3 LEU 33 13.938 -20.684 -2.170
233 HG LEU 33 HG LEU 33 14.130 -17.764 -2.887
234 HD11 LEU 33 HD11 LEU 33 13.665 -18.795 -0.264
235 HD12 LEU 33 HD12 LEU 33 14.023 -17.125 -0.764
236 HD13 LEU 33 HD13 LEU 33 15.352 -18.240 -0.366
237 HD21 LEU 33 HD21 LEU 33 15.808 -19.714 -3.473
238 HD22 LEU 33 HD22 LEU 33 16.325 -19.476 -1.787
239 HD23 LEU 33 HD23 LEU 33 16.399 -18.122 -2.940
240 H LEU 34 H LEU 34 13.633 -22.349 -4.655
241 HA LEU 34 HA LEU 34 10.937 -23.314 -5.092
242 HB2 LEU 34 HB2 LEU 34 13.431 -24.985 -4.719
243 HB3 LEU 34 HB3 LEU 34 11.949 -25.409 -5.608
244 HG LEU 34 HG LEU 34 13.854 -23.208 -6.454
245 HD11 LEU 34 HD11 LEU 34 15.147 -24.674 -7.550
246 HD12 LEU 34 HD12 LEU 34 13.759 -25.673 -8.048
247 HD13 LEU 34 HD13 LEU 34 14.469 -25.881 -6.429
248 HD21 LEU 34 HD21 LEU 34 12.658 -23.204 -8.501
249 HD22 LEU 34 HD22 LEU 34 11.432 -23.163 -7.211
250 HD23 LEU 34 HD23 LEU 34 11.770 -24.685 -8.074
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 1.605 2.023 -1.374
2 H2 ALA 1 H2 ALA 1 0.463 0.786 -1.152
3 H3 ALA 1 H3 ALA 1 2.075 0.547 -0.679
4 HA ALA 1 HA ALA 1 0.884 0.599 -3.337
5 HB1 ALA 1 HB1 ALA 1 3.719 0.569 -3.591
6 HB2 ALA 1 HB2 ALA 1 2.558 1.758 -4.231
7 HB3 ALA 1 HB3 ALA 1 3.275 1.992 -2.618
8 H GLU 2 H GLU 2 1.407 -1.270 -4.533
9 HA GLU 2 HA GLU 2 1.897 -3.587 -2.812
10 HB2 GLU 2 HB2 GLU 2 1.205 -3.225 -5.736
11 HB3 GLU 2 HB3 GLU 2 1.621 -4.815 -5.065
12 HG2 GLU 2 HG2 GLU 2 -0.700 -4.776 -4.985
13 HG3 GLU 2 HG3 GLU 2 -0.220 -4.342 -3.329
14 H CYS 3 H CYS 3 3.441 -5.283 -3.346
15 HA CYS 3 HA CYS 3 6.020 -4.056 -4.164
16 HB2 CYS 3 HB2 CYS 3 7.045 -6.047 -3.121
17 HB3 CYS 3 HB3 CYS 3 5.957 -5.207 -1.995
18 H LYS 4 H LYS 4 7.572 -5.552 -5.333
19 HA LYS 4 HA LYS 4 6.484 -6.176 -7.882
20 HB2 LYS 4 HB2 LYS 4 9.079 -6.453 -6.501
21 HB3 LYS 4 HB3 LYS 4 8.800 -7.673 -7.759
22 HG2 LYS 4 HG2 LYS 4 9.985 -5.718 -8.632
23 HG3 LYS 4 HG3 LYS 4 8.392 -5.920 -9.403
24 HD2 LYS 4 HD2 LYS 4 7.446 -4.175 -8.028
25 HD3 LYS 4 HD3 LYS 4 8.949 -4.049 -7.082
26 HE2 LYS 4 HE2 LYS 4 10.142 -3.367 -9.155
27 HE3 LYS 4 HE3 LYS 4 8.588 -3.394 -10.023
28 HZ1 LYS 4 HZ1 LYS 4 9.371 -1.168 -9.159
29 HZ2 LYS 4 HZ2 LYS 4 9.023 -1.731 -7.603
30 HZ3 LYS 4 HZ3 LYS 4 7.788 -1.606 -8.752
31 H GLY 5 H GLY 5 6.942 -8.431 -8.928
32 HA2 GLY 5 HA2 GLY 5 5.670 -10.448 -7.108
33 HA3 GLY 5 HA3 GLY 5 5.360 -10.341 -8.850
34 H PHE 6 H PHE 6 6.174 -12.042 -9.851
35 HA PHE 6 HA PHE 6 8.872 -12.984 -8.960
36 HB2 PHE 6 HB2 PHE 6 7.264 -14.714 -8.535
37 HB3 PHE 6 HB3 PHE 6 6.522 -14.506 -10.137
38 HD1 PHE 6 HD1 PHE 6 10.091 -14.860 -9.095
39 HD2 PHE 6 HD2 PHE 6 6.825 -16.468 -11.298
40 HE1 PHE 6 HE1 PHE 6 11.567 -16.608 -10.001
41 HE2 PHE 6 HE2 PHE 6 8.294 -18.219 -12.207
42 HZ PHE 6 HZ PHE 6 10.669 -18.290 -11.560
43 H TRP 7 H TRP 7 6.780 -12.134 -11.667
44 HA TRP 7 HA TRP 7 9.093 -12.528 -13.512
45 HB2 TRP 7 HB2 TRP 7 6.859 -13.648 -14.007
46 HB3 TRP 7 HB3 TRP 7 6.199 -12.021 -14.277
47 HD1 TRP 7 HD1 TRP 7 6.029 -11.594 -16.785
48 HE1 TRP 7 HE1 TRP 7 7.466 -12.073 -18.893
49 HE3 TRP 7 HE3 TRP 7 9.826 -14.173 -14.533
50 HZ2 TRP 7 HZ2 TRP 7 9.904 -13.393 -19.457
51 HZ3 TRP 7 HZ3 TRP 7 11.673 -15.010 -15.927
52 HH2 TRP 7 HH2 TRP 7 11.710 -14.628 -18.339
53 H LYS 8 H LYS 8 7.872 -10.199 -11.609
54 HA LYS 8 HA LYS 8 7.579 -7.983 -13.417
55 HB2 LYS 8 HB2 LYS 8 8.095 -8.251 -10.452
56 HB3 LYS 8 HB3 LYS 8 8.122 -6.660 -11.238
57 HG2 LYS 8 HG2 LYS 8 5.793 -8.595 -11.273
58 HG3 LYS 8 HG3 LYS 8 5.945 -7.169 -10.217
59 HD2 LYS 8 HD2 LYS 8 6.198 -5.800 -12.356
60 HD3 LYS 8 HD3 LYS 8 5.660 -7.258 -13.227
61 HE2 LYS 8 HE2 LYS 8 3.651 -6.179 -12.925
62 HE3 LYS 8 HE3 LYS 8 3.699 -7.195 -11.465
63 HZ1 LYS 8 HZ1 LYS 8 3.518 -4.407 -11.626
64 HZ2 LYS 8 HZ2 LYS 8 5.011 -4.771 -10.919
65 HZ3 LYS 8 HZ3 LYS 8 3.583 -5.371 -10.238
66 H SER 9 H SER 9 9.077 -5.954 -12.953
67 HA SER 9 HA SER 9 11.851 -6.915 -13.521
68 HB2 SER 9 HB2 SER 9 10.616 -4.231 -14.254
69 HB3 SER 9 HB3 SER 9 12.176 -4.885 -14.804
70 HG SER 9 HG SER 9 10.497 -5.142 -16.373
71 H CYS 10 H CYS 10 13.388 -6.517 -12.092
72 HA CYS 10 HA CYS 10 13.092 -4.135 -10.328
73 HB2 CYS 10 HB2 CYS 10 13.605 -5.375 -8.342
74 HB3 CYS 10 HB3 CYS 10 12.278 -6.231 -9.156
75 H VAL 11 H VAL 11 15.124 -3.569 -9.198
76 HA VAL 11 HA VAL 11 17.449 -4.269 -10.944
77 HB VAL 11 HB VAL 11 18.425 -2.097 -10.004
78 HG11 VAL 11 HG11 VAL 11 17.738 -2.158 -12.277
79 HG12 VAL 11 HG12 VAL 11 16.014 -2.135 -11.833
80 HG13 VAL 11 HG13 VAL 11 17.018 -0.688 -11.578
81 HG21 VAL 11 HG21 VAL 11 16.244 -2.185 -8.336
82 HG22 VAL 11 HG22 VAL 11 17.233 -0.742 -8.664
83 HG23 VAL 11 HG23 VAL 11 15.726 -1.011 -9.570
84 HA PRO 12 HA PRO 12 19.612 -6.022 -7.540
85 HB2 PRO 12 HB2 PRO 12 22.178 -5.289 -8.107
86 HB3 PRO 12 HB3 PRO 12 21.294 -6.531 -9.033
87 HG2 PRO 12 HG2 PRO 12 21.764 -3.629 -9.690
88 HG3 PRO 12 HG3 PRO 12 21.862 -5.064 -10.755
89 HD2 PRO 12 HD2 PRO 12 19.703 -3.408 -10.717
90 HD3 PRO 12 HD3 PRO 12 19.570 -5.164 -11.049
91 H GLY 13 H GLY 13 19.864 -5.462 -5.473
92 HA2 GLY 13 HA2 GLY 13 20.976 -4.133 -3.777
93 HA3 GLY 13 HA3 GLY 13 21.000 -2.760 -4.898
94 H LYS 14 H LYS 14 18.173 -3.277 -5.708
95 HA LYS 14 HA LYS 14 16.974 -1.731 -3.514
96 HB2 LYS 14 HB2 LYS 14 16.200 -2.454 -6.328
97 HB3 LYS 14 HB3 LYS 14 14.934 -1.944 -5.194
98 HG2 LYS 14 HG2 LYS 14 15.704 -0.051 -6.483
99 HG3 LYS 14 HG3 LYS 14 16.179 0.148 -4.778
100 HD2 LYS 14 HD2 LYS 14 18.431 -0.308 -5.227
101 HD3 LYS 14 HD3 LYS 14 18.060 -1.087 -6.786
102 HE2 LYS 14 HE2 LYS 14 17.435 1.066 -7.740
103 HE3 LYS 14 HE3 LYS 14 17.706 1.863 -6.173
104 HZ1 LYS 14 HZ1 LYS 14 19.687 2.267 -7.191
105 HZ2 LYS 14 HZ2 LYS 14 19.660 0.848 -8.114
106 HZ3 LYS 14 HZ3 LYS 14 20.070 0.783 -6.472
107 H ASN 15 H ASN 15 16.330 -4.806 -5.239
108 HA ASN 15 HA ASN 15 15.221 -6.698 -4.561
109 HB2 ASN 15 HB2 ASN 15 15.323 -5.745 -1.692
110 HB3 ASN 15 HB3 ASN 15 15.418 -7.404 -2.323
111 HD21 ASN 15 HD21 ASN 15 17.140 -5.141 -0.810
112 HD22 ASN 15 HD22 ASN 15 18.783 -5.515 -1.440
113 H GLU 16 H GLU 16 13.607 -4.771 -5.532
114 HA GLU 16 HA GLU 16 11.511 -3.917 -3.802
115 HB2 GLU 16 HB2 GLU 16 11.194 -4.566 -6.748
116 HB3 GLU 16 HB3 GLU 16 10.297 -3.373 -5.788
117 HG2 GLU 16 HG2 GLU 16 12.618 -2.263 -5.442
118 HG3 GLU 16 HG3 GLU 16 13.105 -3.243 -6.847
119 H CYS 17 H CYS 17 12.207 -6.984 -5.294
120 HA CYS 17 HA CYS 17 9.672 -8.156 -5.447
121 HB2 CYS 17 HB2 CYS 17 12.308 -9.397 -4.574
122 HB3 CYS 17 HB3 CYS 17 10.857 -10.325 -5.007
123 H CYS 18 H CYS 18 8.607 -9.712 -4.029
124 HA CYS 18 HA CYS 18 8.267 -8.580 -1.385
125 HB2 CYS 18 HB2 CYS 18 7.187 -11.128 -2.649
126 HB3 CYS 18 HB3 CYS 18 6.675 -10.491 -1.071
127 H SER 19 H SER 19 8.214 -10.042 0.587
128 HA SER 19 HA SER 19 10.846 -10.887 1.167
129 HB2 SER 19 HB2 SER 19 9.306 -10.291 2.943
130 HB3 SER 19 HB3 SER 19 8.206 -11.618 2.494
131 HG SER 19 HG SER 19 9.549 -12.145 4.303
132 H GLY 20 H GLY 20 11.953 -12.758 1.034
133 HA2 GLY 20 HA2 GLY 20 12.136 -15.137 0.877
134 HA3 GLY 20 HA3 GLY 20 10.454 -15.223 0.320
135 H TYR 21 H TYR 21 11.184 -12.854 -1.534
136 HA TYR 21 HA TYR 21 12.162 -14.629 -3.707
137 HB2 TYR 21 HB2 TYR 21 10.784 -11.920 -3.736
138 HB3 TYR 21 HB3 TYR 21 11.376 -12.746 -5.194
139 HD1 TYR 21 HD2 TYR 21 9.164 -13.355 -2.234
140 HD2 TYR 21 HD1 TYR 21 9.919 -14.119 -6.350
141 HE1 TYR 21 HE2 TYR 21 7.041 -14.588 -2.389
142 HE2 TYR 21 HE1 TYR 21 7.799 -15.355 -6.516
143 HH TYR 21 HH TYR 21 5.660 -15.735 -3.679
144 H ALA 22 H ALA 22 13.871 -14.097 -5.064
145 HA ALA 22 HA ALA 22 15.721 -12.059 -3.897
146 HB1 ALA 22 HB1 ALA 22 17.241 -13.681 -3.908
147 HB2 ALA 22 HB2 ALA 22 16.099 -14.795 -4.697
148 HB3 ALA 22 HB3 ALA 22 17.133 -13.733 -5.684
149 H CYS 23 H CYS 23 17.257 -11.070 -5.499
150 HA CYS 23 HA CYS 23 15.762 -10.475 -8.023
151 HB2 CYS 23 HB2 CYS 23 17.010 -8.741 -5.995
152 HB3 CYS 23 HB3 CYS 23 17.511 -8.358 -7.657
153 H SER 24 H SER 24 16.791 -10.617 -9.940
154 HA SER 24 HA SER 24 19.684 -11.376 -9.815
155 HB2 SER 24 HB2 SER 24 17.571 -12.940 -10.722
156 HB3 SER 24 HB3 SER 24 18.235 -12.247 -12.221
157 HG SER 24 HG SER 24 19.270 -14.224 -11.618
158 H SER 25 H SER 25 20.916 -9.791 -10.544
159 HA SER 25 HA SER 25 19.881 -7.692 -12.238
160 HB2 SER 25 HB2 SER 25 21.941 -6.656 -11.939
161 HB3 SER 25 HB3 SER 25 21.887 -7.715 -10.510
162 HG SER 25 HG SER 25 23.899 -7.848 -11.644
163 H ARG 26 H ARG 26 21.320 -10.789 -12.805
164 HA ARG 26 HA ARG 26 22.572 -10.438 -15.283
165 HB2 ARG 26 HB2 ARG 26 22.265 -12.560 -13.797
166 HB3 ARG 26 HB3 ARG 26 20.792 -12.821 -14.750
167 HG2 ARG 26 HG2 ARG 26 21.964 -13.222 -16.704
168 HG3 ARG 26 HG3 ARG 26 23.410 -12.348 -16.140
169 HD2 ARG 26 HD2 ARG 26 22.436 -14.922 -14.882
170 HD3 ARG 26 HD3 ARG 26 23.585 -14.881 -16.240
171 HE ARG 26 HE ARG 26 24.129 -14.294 -13.447
172 HH11 ARG 26 HH11 ARG 26 25.066 -13.630 -16.785
173 HH12 ARG 26 HH12 ARG 26 26.725 -13.194 -16.361
174 HH21 ARG 26 HH21 ARG 26 26.271 -13.731 -12.906
175 HH22 ARG 26 HH22 ARG 26 27.405 -13.253 -14.173
176 H ASP 27 H ASP 27 19.111 -11.064 -14.618
177 HA ASP 27 HA ASP 27 18.562 -10.219 -17.436
178 HB2 ASP 27 HB2 ASP 27 17.634 -12.493 -15.866
179 HB3 ASP 27 HB3 ASP 27 16.270 -11.514 -16.449
180 H LYS 28 H LYS 28 18.489 -9.189 -14.302
181 HA LYS 28 HA LYS 28 17.390 -7.493 -13.214
182 HB2 LYS 28 HB2 LYS 28 16.832 -6.783 -16.102
183 HB3 LYS 28 HB3 LYS 28 16.200 -5.792 -14.772
184 HG2 LYS 28 HG2 LYS 28 18.729 -5.863 -13.983
185 HG3 LYS 28 HG3 LYS 28 19.004 -6.164 -15.717
186 HD2 LYS 28 HD2 LYS 28 17.456 -3.834 -14.539
187 HD3 LYS 28 HD3 LYS 28 19.116 -3.768 -15.180
188 HE2 LYS 28 HE2 LYS 28 17.911 -4.836 -17.312
189 HE3 LYS 28 HE3 LYS 28 16.508 -3.995 -16.612
190 HZ1 LYS 28 HZ1 LYS 28 17.626 -2.556 -18.157
191 HZ2 LYS 28 HZ2 LYS 28 19.111 -2.766 -17.373
192 HZ3 LYS 28 HZ3 LYS 28 17.852 -1.945 -16.596
193 H TRP 29 H TRP 29 16.073 -9.776 -12.939
194 HA TRP 29 HA TRP 29 13.236 -8.882 -13.080
195 HB2 TRP 29 HB2 TRP 29 12.574 -11.250 -13.638
196 HB3 TRP 29 HB3 TRP 29 13.431 -10.397 -14.941
197 HD1 TRP 29 HD1 TRP 29 15.711 -11.627 -12.227
198 HE1 TRP 29 HE1 TRP 29 17.033 -13.714 -13.026
199 HE3 TRP 29 HE3 TRP 29 13.083 -12.582 -16.506
200 HZ2 TRP 29 HZ2 TRP 29 16.918 -15.497 -15.218
201 HZ3 TRP 29 HZ3 TRP 29 13.752 -14.496 -17.899
202 HH2 TRP 29 HH2 TRP 29 15.631 -15.924 -17.267
203 H CYS 30 H CYS 30 11.931 -10.863 -11.870
204 HA CYS 30 HA CYS 30 13.143 -10.815 -9.163
205 HB2 CYS 30 HB2 CYS 30 10.370 -11.142 -10.270
206 HB3 CYS 30 HB3 CYS 30 10.736 -11.860 -8.686
207 H LYS 31 H LYS 31 12.811 -12.764 -7.767
208 HA LYS 31 HA LYS 31 12.899 -15.304 -9.306
209 HB2 LYS 31 HB2 LYS 31 14.993 -14.581 -7.225
210 HB3 LYS 31 HB3 LYS 31 14.925 -16.052 -8.215
211 HG2 LYS 31 HG2 LYS 31 15.292 -13.258 -9.321
212 HG3 LYS 31 HG3 LYS 31 16.617 -14.395 -8.970
213 HD2 LYS 31 HD2 LYS 31 14.473 -15.560 -10.603
214 HD3 LYS 31 HD3 LYS 31 15.278 -14.169 -11.371
215 HE2 LYS 31 HE2 LYS 31 17.334 -15.223 -11.439
216 HE3 LYS 31 HE3 LYS 31 16.942 -16.305 -10.081
217 HZ1 LYS 31 HZ1 LYS 31 15.746 -16.484 -12.803
218 HZ2 LYS 31 HZ2 LYS 31 15.469 -17.545 -11.516
219 HZ3 LYS 31 HZ3 LYS 31 17.002 -17.463 -12.230
220 H VAL 32 H VAL 32 12.369 -17.163 -8.115
221 HA VAL 32 HA VAL 32 11.359 -16.622 -5.355
222 HB VAL 32 HB VAL 32 9.460 -16.641 -6.951
223 HG11 VAL 32 HG11 VAL 32 9.618 -19.548 -7.421
224 HG12 VAL 32 HG12 VAL 32 9.122 -18.230 -8.511
225 HG13 VAL 32 HG13 VAL 32 10.850 -18.588 -8.274
226 HG21 VAL 32 HG21 VAL 32 9.367 -17.528 -4.554
227 HG22 VAL 32 HG22 VAL 32 8.058 -18.026 -5.651
228 HG23 VAL 32 HG23 VAL 32 9.380 -19.155 -5.275
229 H LEU 33 H LEU 33 11.877 -18.094 -3.856
230 HA LEU 33 HA LEU 33 13.694 -20.236 -4.629
231 HB2 LEU 33 HB2 LEU 33 12.419 -19.663 -1.937
232 HB3 LEU 33 HB3 LEU 33 13.834 -20.697 -2.248
233 HG LEU 33 HG LEU 33 13.926 -17.786 -2.992
234 HD11 LEU 33 HD11 LEU 33 14.856 -18.618 -0.280
235 HD12 LEU 33 HD12 LEU 33 13.116 -18.322 -0.517
236 HD13 LEU 33 HD13 LEU 33 14.294 -17.034 -0.869
237 HD21 LEU 33 HD21 LEU 33 16.330 -18.548 -1.906
238 HD22 LEU 33 HD22 LEU 33 15.929 -18.564 -3.639
239 HD23 LEU 33 HD23 LEU 33 15.771 -20.053 -2.675
240 H LEU 34 H LEU 34 13.350 -22.385 -4.769
241 HA LEU 34 HA LEU 34 10.518 -23.239 -4.759
242 HB2 LEU 34 HB2 LEU 34 11.667 -23.912 -6.696
243 HB3 LEU 34 HB3 LEU 34 13.098 -24.426 -5.774
244 HG LEU 34 HG LEU 34 11.807 -26.341 -4.886
245 HD11 LEU 34 HD11 LEU 34 9.573 -25.110 -5.224
246 HD12 LEU 34 HD12 LEU 34 9.627 -26.855 -5.563
247 HD13 LEU 34 HD13 LEU 34 9.667 -25.687 -6.905
248 HD21 LEU 34 HD21 LEU 34 12.984 -27.159 -6.633
249 HD22 LEU 34 HD22 LEU 34 12.414 -25.895 -7.749
250 HD23 LEU 34 HD23 LEU 34 11.374 -27.294 -7.384
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 1.127 0.971 0.025
2 H2 ALA 1 H2 ALA 1 2.255 -0.289 0.191
3 H3 ALA 1 H3 ALA 1 2.773 1.258 -0.278
4 HA ALA 1 HA ALA 1 0.754 0.334 -1.990
5 HB1 ALA 1 HB1 ALA 1 3.600 0.699 -2.828
6 HB2 ALA 1 HB2 ALA 1 2.096 1.252 -3.603
7 HB3 ALA 1 HB3 ALA 1 2.723 2.100 -2.171
8 H GLU 2 H GLU 2 1.313 -1.175 -3.835
9 HA GLU 2 HA GLU 2 1.902 -3.771 -2.679
10 HB2 GLU 2 HB2 GLU 2 0.285 -3.127 -4.633
11 HB3 GLU 2 HB3 GLU 2 1.738 -3.234 -5.646
12 HG2 GLU 2 HG2 GLU 2 2.045 -5.536 -5.107
13 HG3 GLU 2 HG3 GLU 2 0.796 -5.469 -3.842
14 H CYS 3 H CYS 3 3.481 -5.296 -3.553
15 HA CYS 3 HA CYS 3 6.012 -3.864 -4.256
16 HB2 CYS 3 HB2 CYS 3 7.171 -5.828 -3.237
17 HB3 CYS 3 HB3 CYS 3 6.155 -4.940 -2.081
18 H LYS 4 H LYS 4 7.643 -5.502 -5.303
19 HA LYS 4 HA LYS 4 6.575 -6.139 -7.874
20 HB2 LYS 4 HB2 LYS 4 9.157 -6.352 -6.474
21 HB3 LYS 4 HB3 LYS 4 8.898 -7.634 -7.672
22 HG2 LYS 4 HG2 LYS 4 10.078 -5.695 -8.611
23 HG3 LYS 4 HG3 LYS 4 8.514 -5.986 -9.411
24 HD2 LYS 4 HD2 LYS 4 7.492 -4.160 -8.305
25 HD3 LYS 4 HD3 LYS 4 8.826 -4.021 -7.134
26 HE2 LYS 4 HE2 LYS 4 10.334 -3.281 -8.892
27 HE3 LYS 4 HE3 LYS 4 9.062 -3.515 -10.115
28 HZ1 LYS 4 HZ1 LYS 4 8.902 -1.281 -9.700
29 HZ2 LYS 4 HZ2 LYS 4 9.314 -1.417 -8.065
30 HZ3 LYS 4 HZ3 LYS 4 7.769 -1.864 -8.588
31 H GLY 5 H GLY 5 7.046 -8.413 -8.871
32 HA2 GLY 5 HA2 GLY 5 5.796 -10.405 -7.007
33 HA3 GLY 5 HA3 GLY 5 5.439 -10.314 -8.742
34 H PHE 6 H PHE 6 6.236 -12.015 -9.758
35 HA PHE 6 HA PHE 6 8.947 -12.960 -8.914
36 HB2 PHE 6 HB2 PHE 6 7.341 -14.690 -8.475
37 HB3 PHE 6 HB3 PHE 6 6.575 -14.471 -10.064
38 HD1 PHE 6 HD1 PHE 6 10.129 -14.914 -8.986
39 HD2 PHE 6 HD2 PHE 6 6.885 -16.354 -11.332
40 HE1 PHE 6 HE1 PHE 6 11.587 -16.661 -9.921
41 HE2 PHE 6 HE2 PHE 6 8.337 -18.104 -12.272
42 HZ PHE 6 HZ PHE 6 10.691 -18.259 -11.566
43 H TRP 7 H TRP 7 6.784 -12.234 -11.627
44 HA TRP 7 HA TRP 7 9.037 -12.654 -13.517
45 HB2 TRP 7 HB2 TRP 7 6.546 -13.454 -13.835
46 HB3 TRP 7 HB3 TRP 7 6.279 -11.773 -14.350
47 HD1 TRP 7 HD1 TRP 7 6.576 -11.396 -16.855
48 HE1 TRP 7 HE1 TRP 7 7.815 -12.566 -18.814
49 HE3 TRP 7 HE3 TRP 7 8.925 -15.060 -14.172
50 HZ2 TRP 7 HZ2 TRP 7 9.562 -14.771 -19.109
51 HZ3 TRP 7 HZ3 TRP 7 10.363 -16.658 -15.368
52 HH2 TRP 7 HH2 TRP 7 10.672 -16.517 -17.785
53 H LYS 8 H LYS 8 7.665 -10.213 -11.655
54 HA LYS 8 HA LYS 8 7.691 -7.984 -13.405
55 HB2 LYS 8 HB2 LYS 8 8.200 -8.256 -10.429
56 HB3 LYS 8 HB3 LYS 8 8.194 -6.682 -11.246
57 HG2 LYS 8 HG2 LYS 8 5.890 -8.646 -11.201
58 HG3 LYS 8 HG3 LYS 8 6.041 -7.194 -10.181
59 HD2 LYS 8 HD2 LYS 8 6.156 -5.821 -12.270
60 HD3 LYS 8 HD3 LYS 8 5.824 -7.298 -13.205
61 HE2 LYS 8 HE2 LYS 8 3.767 -6.058 -12.878
62 HE3 LYS 8 HE3 LYS 8 3.704 -7.577 -11.953
63 HZ1 LYS 8 HZ1 LYS 8 4.040 -6.435 -9.949
64 HZ2 LYS 8 HZ2 LYS 8 2.921 -5.483 -10.788
65 HZ3 LYS 8 HZ3 LYS 8 4.544 -5.014 -10.716
66 H SER 9 H SER 9 9.275 -6.091 -13.117
67 HA SER 9 HA SER 9 12.024 -7.219 -13.440
68 HB2 SER 9 HB2 SER 9 12.287 -4.812 -14.580
69 HB3 SER 9 HB3 SER 9 11.630 -6.205 -15.474
70 HG SER 9 HG SER 9 10.326 -4.306 -15.694
71 H CYS 10 H CYS 10 13.363 -6.877 -11.817
72 HA CYS 10 HA CYS 10 13.076 -4.311 -10.307
73 HB2 CYS 10 HB2 CYS 10 13.598 -5.433 -8.252
74 HB3 CYS 10 HB3 CYS 10 12.301 -6.361 -9.037
75 H VAL 11 H VAL 11 15.040 -3.530 -9.281
76 HA VAL 11 HA VAL 11 17.412 -4.245 -10.945
77 HB VAL 11 HB VAL 11 18.328 -2.043 -10.078
78 HG11 VAL 11 HG11 VAL 11 17.493 -0.967 -11.895
79 HG12 VAL 11 HG12 VAL 11 16.861 -2.590 -12.264
80 HG13 VAL 11 HG13 VAL 11 15.807 -1.374 -11.501
81 HG21 VAL 11 HG21 VAL 11 16.108 -2.203 -8.375
82 HG22 VAL 11 HG22 VAL 11 17.218 -0.825 -8.572
83 HG23 VAL 11 HG23 VAL 11 15.718 -0.902 -9.526
84 HA PRO 12 HA PRO 12 19.610 -5.914 -7.520
85 HB2 PRO 12 HB2 PRO 12 22.159 -5.137 -8.106
86 HB3 PRO 12 HB3 PRO 12 21.298 -6.410 -9.010
87 HG2 PRO 12 HG2 PRO 12 21.707 -3.510 -9.710
88 HG3 PRO 12 HG3 PRO 12 21.833 -4.958 -10.757
89 HD2 PRO 12 HD2 PRO 12 19.640 -3.343 -10.736
90 HD3 PRO 12 HD3 PRO 12 19.542 -5.106 -11.040
91 H GLY 13 H GLY 13 19.947 -5.343 -5.462
92 HA2 GLY 13 HA2 GLY 13 20.956 -3.977 -3.768
93 HA3 GLY 13 HA3 GLY 13 21.044 -2.629 -4.917
94 H LYS 14 H LYS 14 18.156 -3.361 -5.704
95 HA LYS 14 HA LYS 14 16.949 -1.621 -3.641
96 HB2 LYS 14 HB2 LYS 14 16.200 -2.511 -6.415
97 HB3 LYS 14 HB3 LYS 14 14.929 -1.927 -5.324
98 HG2 LYS 14 HG2 LYS 14 16.574 0.095 -4.983
99 HG3 LYS 14 HG3 LYS 14 17.227 -0.451 -6.547
100 HD2 LYS 14 HD2 LYS 14 14.812 -0.420 -7.386
101 HD3 LYS 14 HD3 LYS 14 14.425 0.479 -5.899
102 HE2 LYS 14 HE2 LYS 14 16.644 1.366 -7.740
103 HE3 LYS 14 HE3 LYS 14 14.950 1.812 -8.050
104 HZ1 LYS 14 HZ1 LYS 14 15.909 2.273 -5.341
105 HZ2 LYS 14 HZ2 LYS 14 14.922 3.234 -6.322
106 HZ3 LYS 14 HZ3 LYS 14 16.601 3.251 -6.536
107 H ASN 15 H ASN 15 16.375 -4.809 -5.170
108 HA ASN 15 HA ASN 15 15.278 -6.666 -4.388
109 HB2 ASN 15 HB2 ASN 15 15.363 -5.430 -1.617
110 HB3 ASN 15 HB3 ASN 15 15.306 -7.154 -2.047
111 HD21 ASN 15 HD21 ASN 15 17.204 -5.443 -0.450
112 HD22 ASN 15 HD22 ASN 15 18.814 -5.815 -1.157
113 H GLU 16 H GLU 16 13.688 -4.774 -5.528
114 HA GLU 16 HA GLU 16 11.511 -3.876 -3.931
115 HB2 GLU 16 HB2 GLU 16 11.325 -4.676 -6.851
116 HB3 GLU 16 HB3 GLU 16 10.366 -3.457 -5.991
117 HG2 GLU 16 HG2 GLU 16 12.759 -2.381 -5.594
118 HG3 GLU 16 HG3 GLU 16 13.144 -3.306 -7.065
119 H CYS 17 H CYS 17 12.293 -7.000 -5.262
120 HA CYS 17 HA CYS 17 9.776 -8.209 -5.432
121 HB2 CYS 17 HB2 CYS 17 12.421 -9.355 -4.470
122 HB3 CYS 17 HB3 CYS 17 10.988 -10.342 -4.828
123 H CYS 18 H CYS 18 8.680 -9.703 -3.981
124 HA CYS 18 HA CYS 18 8.296 -8.473 -1.381
125 HB2 CYS 18 HB2 CYS 18 7.169 -10.987 -2.664
126 HB3 CYS 18 HB3 CYS 18 6.689 -10.408 -1.055
127 H SER 19 H SER 19 7.901 -10.320 0.465
128 HA SER 19 HA SER 19 10.594 -11.063 1.205
129 HB2 SER 19 HB2 SER 19 8.714 -10.402 2.788
130 HB3 SER 19 HB3 SER 19 8.013 -12.013 2.502
131 HG SER 19 HG SER 19 9.364 -11.945 4.380
132 H GLY 20 H GLY 20 11.691 -12.888 0.896
133 HA2 GLY 20 HA2 GLY 20 11.876 -15.271 0.746
134 HA3 GLY 20 HA3 GLY 20 10.162 -15.369 0.298
135 H TYR 21 H TYR 21 11.769 -12.877 -1.352
136 HA TYR 21 HA TYR 21 12.246 -14.697 -3.678
137 HB2 TYR 21 HB2 TYR 21 10.949 -11.946 -3.651
138 HB3 TYR 21 HB3 TYR 21 11.485 -12.777 -5.128
139 HD1 TYR 21 HD2 TYR 21 9.300 -13.313 -2.137
140 HD2 TYR 21 HD1 TYR 21 9.978 -14.125 -6.259
141 HE1 TYR 21 HE2 TYR 21 7.138 -14.479 -2.258
142 HE2 TYR 21 HE1 TYR 21 7.818 -15.292 -6.391
143 HH TYR 21 HH TYR 21 5.758 -15.690 -3.502
144 H ALA 22 H ALA 22 13.920 -14.155 -5.095
145 HA ALA 22 HA ALA 22 15.869 -12.221 -3.913
146 HB1 ALA 22 HB1 ALA 22 16.672 -14.324 -5.893
147 HB2 ALA 22 HB2 ALA 22 17.611 -13.577 -4.578
148 HB3 ALA 22 HB3 ALA 22 16.358 -14.786 -4.202
149 H CYS 23 H CYS 23 17.383 -11.214 -5.525
150 HA CYS 23 HA CYS 23 15.830 -10.480 -7.976
151 HB2 CYS 23 HB2 CYS 23 17.192 -8.863 -5.925
152 HB3 CYS 23 HB3 CYS 23 17.653 -8.430 -7.585
153 H SER 24 H SER 24 16.793 -10.585 -9.927
154 HA SER 24 HA SER 24 19.671 -11.411 -9.925
155 HB2 SER 24 HB2 SER 24 17.462 -12.880 -10.830
156 HB3 SER 24 HB3 SER 24 18.180 -12.206 -12.312
157 HG SER 24 HG SER 24 19.110 -14.237 -11.714
158 H SER 25 H SER 25 20.879 -9.785 -10.613
159 HA SER 25 HA SER 25 19.818 -7.660 -12.260
160 HB2 SER 25 HB2 SER 25 22.418 -7.172 -12.451
161 HB3 SER 25 HB3 SER 25 21.558 -6.920 -10.913
162 HG SER 25 HG SER 25 23.523 -8.111 -10.651
163 H ARG 26 H ARG 26 21.262 -10.741 -12.897
164 HA ARG 26 HA ARG 26 22.486 -10.342 -15.381
165 HB2 ARG 26 HB2 ARG 26 22.297 -12.485 -13.984
166 HB3 ARG 26 HB3 ARG 26 20.722 -12.729 -14.765
167 HG2 ARG 26 HG2 ARG 26 22.056 -13.969 -16.143
168 HG3 ARG 26 HG3 ARG 26 22.136 -12.394 -16.971
169 HD2 ARG 26 HD2 ARG 26 24.148 -12.974 -14.838
170 HD3 ARG 26 HD3 ARG 26 24.317 -13.811 -16.401
171 HE ARG 26 HE ARG 26 23.921 -11.122 -17.032
172 HH11 ARG 26 HH11 ARG 26 26.229 -13.037 -15.168
173 HH12 ARG 26 HH12 ARG 26 27.575 -11.934 -15.472
174 HH21 ARG 26 HH21 ARG 26 25.662 -9.703 -17.419
175 HH22 ARG 26 HH22 ARG 26 27.255 -10.052 -16.740
176 H ASP 27 H ASP 27 19.035 -10.992 -14.690
177 HA ASP 27 HA ASP 27 18.452 -10.100 -17.488
178 HB2 ASP 27 HB2 ASP 27 17.560 -12.411 -15.959
179 HB3 ASP 27 HB3 ASP 27 16.178 -11.424 -16.484
180 H LYS 28 H LYS 28 18.413 -9.120 -14.339
181 HA LYS 28 HA LYS 28 17.325 -7.443 -13.213
182 HB2 LYS 28 HB2 LYS 28 16.781 -6.710 -16.086
183 HB3 LYS 28 HB3 LYS 28 16.047 -5.767 -14.775
184 HG2 LYS 28 HG2 LYS 28 18.616 -5.827 -13.934
185 HG3 LYS 28 HG3 LYS 28 18.854 -5.897 -15.697
186 HD2 LYS 28 HD2 LYS 28 16.868 -3.919 -14.713
187 HD3 LYS 28 HD3 LYS 28 18.573 -3.593 -14.313
188 HE2 LYS 28 HE2 LYS 28 18.058 -2.508 -16.397
189 HE3 LYS 28 HE3 LYS 28 19.131 -3.888 -16.730
190 HZ1 LYS 28 HZ1 LYS 28 17.195 -3.633 -18.274
191 HZ2 LYS 28 HZ2 LYS 28 16.172 -4.028 -16.986
192 HZ3 LYS 28 HZ3 LYS 28 17.313 -5.151 -17.536
193 H TRP 29 H TRP 29 16.032 -9.733 -12.928
194 HA TRP 29 HA TRP 29 13.184 -8.865 -13.019
195 HB2 TRP 29 HB2 TRP 29 12.542 -11.243 -13.570
196 HB3 TRP 29 HB3 TRP 29 13.357 -10.372 -14.887
197 HD1 TRP 29 HD1 TRP 29 15.688 -11.604 -12.205
198 HE1 TRP 29 HE1 TRP 29 17.033 -13.658 -13.051
199 HE3 TRP 29 HE3 TRP 29 13.042 -12.522 -16.483
200 HZ2 TRP 29 HZ2 TRP 29 16.926 -15.406 -15.273
201 HZ3 TRP 29 HZ3 TRP 29 13.728 -14.403 -17.913
202 HH2 TRP 29 HH2 TRP 29 15.630 -15.814 -17.320
203 H CYS 30 H CYS 30 11.916 -10.858 -11.793
204 HA CYS 30 HA CYS 30 13.190 -10.826 -9.111
205 HB2 CYS 30 HB2 CYS 30 10.391 -11.080 -10.153
206 HB3 CYS 30 HB3 CYS 30 10.770 -11.854 -8.599
207 H LYS 31 H LYS 31 12.871 -12.778 -7.719
208 HA LYS 31 HA LYS 31 12.896 -15.307 -9.280
209 HB2 LYS 31 HB2 LYS 31 15.014 -14.667 -7.199
210 HB3 LYS 31 HB3 LYS 31 14.931 -16.086 -8.262
211 HG2 LYS 31 HG2 LYS 31 15.279 -13.253 -9.263
212 HG3 LYS 31 HG3 LYS 31 16.627 -14.364 -8.917
213 HD2 LYS 31 HD2 LYS 31 14.552 -15.563 -10.604
214 HD3 LYS 31 HD3 LYS 31 15.293 -14.115 -11.330
215 HE2 LYS 31 HE2 LYS 31 16.851 -15.585 -12.045
216 HE3 LYS 31 HE3 LYS 31 17.501 -15.387 -10.400
217 HZ1 LYS 31 HZ1 LYS 31 15.483 -17.467 -11.011
218 HZ2 LYS 31 HZ2 LYS 31 16.570 -17.393 -9.718
219 HZ3 LYS 31 HZ3 LYS 31 17.131 -17.746 -11.275
220 H VAL 32 H VAL 32 12.284 -17.146 -8.135
221 HA VAL 32 HA VAL 32 11.342 -16.628 -5.344
222 HB VAL 32 HB VAL 32 9.426 -16.593 -6.925
223 HG11 VAL 32 HG11 VAL 32 9.060 -18.148 -8.506
224 HG12 VAL 32 HG12 VAL 32 10.770 -18.581 -8.258
225 HG13 VAL 32 HG13 VAL 32 9.490 -19.491 -7.423
226 HG21 VAL 32 HG21 VAL 32 8.015 -17.862 -5.575
227 HG22 VAL 32 HG22 VAL 32 9.229 -19.140 -5.331
228 HG23 VAL 32 HG23 VAL 32 9.415 -17.571 -4.514
229 H LEU 33 H LEU 33 11.823 -18.140 -3.868
230 HA LEU 33 HA LEU 33 13.728 -20.169 -4.512
231 HB2 LEU 33 HB2 LEU 33 11.928 -19.910 -2.083
232 HB3 LEU 33 HB3 LEU 33 13.368 -20.946 -2.204
233 HG LEU 33 HG LEU 33 13.625 -17.980 -2.616
234 HD11 LEU 33 HD11 LEU 33 12.547 -19.130 -0.265
235 HD12 LEU 33 HD12 LEU 33 13.121 -17.463 -0.515
236 HD13 LEU 33 HD13 LEU 33 14.239 -18.707 0.092
237 HD21 LEU 33 HD21 LEU 33 15.862 -18.325 -2.047
238 HD22 LEU 33 HD22 LEU 33 15.452 -19.766 -3.009
239 HD23 LEU 33 HD23 LEU 33 15.520 -19.871 -1.232
240 H LEU 34 H LEU 34 13.362 -21.921 -5.685
241 HA LEU 34 HA LEU 34 10.674 -23.074 -5.833
242 HB2 LEU 34 HB2 LEU 34 13.262 -24.152 -6.981
243 HB3 LEU 34 HB3 LEU 34 11.604 -24.563 -7.477
244 HG LEU 34 HG LEU 34 12.781 -21.792 -7.786
245 HD11 LEU 34 HD11 LEU 34 12.958 -22.502 -10.235
246 HD12 LEU 34 HD12 LEU 34 12.868 -24.175 -9.635
247 HD13 LEU 34 HD13 LEU 34 14.199 -23.115 -9.115
248 HD21 LEU 34 HD21 LEU 34 10.803 -22.500 -9.716
249 HD22 LEU 34 HD22 LEU 34 10.731 -21.250 -8.452
250 HD23 LEU 34 HD23 LEU 34 10.175 -22.905 -8.100
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 -0.345 1.028 -1.778
2 H2 ALA 1 H2 ALA 1 0.718 0.289 -2.876
3 H3 ALA 1 H3 ALA 1 -0.958 0.070 -3.037
4 HA ALA 1 HA ALA 1 0.723 -0.853 -0.807
5 HB1 ALA 1 HB1 ALA 1 -2.241 -0.867 -1.305
6 HB2 ALA 1 HB2 ALA 1 -1.486 -2.155 -0.335
7 HB3 ALA 1 HB3 ALA 1 -1.341 -0.454 0.174
8 H GLU 2 H GLU 2 1.981 -1.577 -2.833
9 HA GLU 2 HA GLU 2 1.297 -4.389 -3.239
10 HB2 GLU 2 HB2 GLU 2 1.249 -4.299 -5.691
11 HB3 GLU 2 HB3 GLU 2 -0.073 -3.342 -4.993
12 HG2 GLU 2 HG2 GLU 2 1.348 -1.299 -5.312
13 HG3 GLU 2 HG3 GLU 2 2.505 -2.319 -6.199
14 H CYS 3 H CYS 3 3.021 -5.632 -4.039
15 HA CYS 3 HA CYS 3 5.587 -4.125 -4.337
16 HB2 CYS 3 HB2 CYS 3 6.723 -5.930 -3.078
17 HB3 CYS 3 HB3 CYS 3 5.511 -5.089 -2.087
18 H LYS 4 H LYS 4 7.322 -5.418 -5.378
19 HA LYS 4 HA LYS 4 6.492 -6.376 -7.887
20 HB2 LYS 4 HB2 LYS 4 8.990 -6.316 -6.324
21 HB3 LYS 4 HB3 LYS 4 8.908 -7.660 -7.479
22 HG2 LYS 4 HG2 LYS 4 9.989 -5.713 -8.466
23 HG3 LYS 4 HG3 LYS 4 8.457 -6.083 -9.296
24 HD2 LYS 4 HD2 LYS 4 7.328 -4.301 -8.117
25 HD3 LYS 4 HD3 LYS 4 8.769 -3.998 -7.116
26 HE2 LYS 4 HE2 LYS 4 9.020 -2.348 -8.690
27 HE3 LYS 4 HE3 LYS 4 9.921 -3.668 -9.475
28 HZ1 LYS 4 HZ1 LYS 4 7.656 -2.288 -10.418
29 HZ2 LYS 4 HZ2 LYS 4 7.234 -3.912 -10.208
30 HZ3 LYS 4 HZ3 LYS 4 8.548 -3.500 -11.190
31 H GLY 5 H GLY 5 7.206 -8.649 -8.731
32 HA2 GLY 5 HA2 GLY 5 6.175 -10.684 -6.782
33 HA3 GLY 5 HA3 GLY 5 5.622 -10.631 -8.467
34 H PHE 6 H PHE 6 6.536 -12.039 -9.783
35 HA PHE 6 HA PHE 6 9.337 -12.881 -9.149
36 HB2 PHE 6 HB2 PHE 6 7.890 -14.735 -8.641
37 HB3 PHE 6 HB3 PHE 6 6.996 -14.531 -10.165
38 HD1 PHE 6 HD1 PHE 6 10.427 -15.254 -8.880
39 HD2 PHE 6 HD2 PHE 6 7.571 -15.827 -11.983
40 HE1 PHE 6 HE1 PHE 6 11.939 -16.858 -9.971
41 HE2 PHE 6 HE2 PHE 6 9.078 -17.433 -13.079
42 HZ PHE 6 HZ PHE 6 11.265 -17.952 -12.072
43 H TRP 7 H TRP 7 6.887 -12.274 -11.644
44 HA TRP 7 HA TRP 7 8.935 -12.519 -13.761
45 HB2 TRP 7 HB2 TRP 7 5.939 -12.126 -13.723
46 HB3 TRP 7 HB3 TRP 7 6.873 -11.813 -15.201
47 HD1 TRP 7 HD1 TRP 7 8.121 -13.951 -16.324
48 HE1 TRP 7 HE1 TRP 7 7.573 -16.488 -16.257
49 HE3 TRP 7 HE3 TRP 7 5.012 -13.940 -12.266
50 HZ2 TRP 7 HZ2 TRP 7 6.004 -18.205 -14.648
51 HZ3 TRP 7 HZ3 TRP 7 4.028 -16.070 -11.527
52 HH2 TRP 7 HH2 TRP 7 4.513 -18.159 -12.696
53 H LYS 8 H LYS 8 7.677 -10.147 -11.680
54 HA LYS 8 HA LYS 8 7.702 -7.859 -13.381
55 HB2 LYS 8 HB2 LYS 8 8.342 -8.030 -10.412
56 HB3 LYS 8 HB3 LYS 8 7.895 -6.559 -11.300
57 HG2 LYS 8 HG2 LYS 8 6.152 -8.992 -10.832
58 HG3 LYS 8 HG3 LYS 8 5.996 -7.397 -10.055
59 HD2 LYS 8 HD2 LYS 8 4.471 -7.066 -11.701
60 HD3 LYS 8 HD3 LYS 8 5.920 -6.655 -12.651
61 HE2 LYS 8 HE2 LYS 8 5.818 -8.561 -13.887
62 HE3 LYS 8 HE3 LYS 8 5.177 -9.530 -12.540
63 HZ1 LYS 8 HZ1 LYS 8 3.689 -7.694 -14.339
64 HZ2 LYS 8 HZ2 LYS 8 3.037 -8.263 -12.885
65 HZ3 LYS 8 HZ3 LYS 8 3.453 -9.354 -14.111
66 H SER 9 H SER 9 9.285 -5.975 -12.963
67 HA SER 9 HA SER 9 12.036 -7.104 -13.263
68 HB2 SER 9 HB2 SER 9 12.390 -4.713 -14.330
69 HB3 SER 9 HB3 SER 9 11.613 -6.007 -15.273
70 HG SER 9 HG SER 9 10.453 -4.009 -15.376
71 H CYS 10 H CYS 10 13.482 -6.703 -11.744
72 HA CYS 10 HA CYS 10 13.139 -4.234 -10.104
73 HB2 CYS 10 HB2 CYS 10 13.577 -5.420 -8.061
74 HB3 CYS 10 HB3 CYS 10 12.264 -6.276 -8.898
75 H VAL 11 H VAL 11 15.004 -3.231 -9.435
76 HA VAL 11 HA VAL 11 17.413 -4.030 -10.926
77 HB VAL 11 HB VAL 11 18.375 -1.917 -9.964
78 HG11 VAL 11 HG11 VAL 11 16.658 -0.408 -11.195
79 HG12 VAL 11 HG12 VAL 11 17.512 -1.670 -12.116
80 HG13 VAL 11 HG13 VAL 11 15.835 -1.938 -11.582
81 HG21 VAL 11 HG21 VAL 11 15.962 -0.642 -9.165
82 HG22 VAL 11 HG22 VAL 11 16.097 -2.157 -8.244
83 HG23 VAL 11 HG23 VAL 11 17.418 -0.965 -8.192
84 HA PRO 12 HA PRO 12 19.568 -5.995 -7.633
85 HB2 PRO 12 HB2 PRO 12 22.135 -5.252 -8.181
86 HB3 PRO 12 HB3 PRO 12 21.235 -6.438 -9.164
87 HG2 PRO 12 HG2 PRO 12 21.722 -3.509 -9.670
88 HG3 PRO 12 HG3 PRO 12 21.802 -4.886 -10.811
89 HD2 PRO 12 HD2 PRO 12 19.658 -3.217 -10.669
90 HD3 PRO 12 HD3 PRO 12 19.508 -4.952 -11.091
91 H GLY 13 H GLY 13 19.922 -5.572 -5.543
92 HA2 GLY 13 HA2 GLY 13 20.978 -4.353 -3.767
93 HA3 GLY 13 HA3 GLY 13 21.100 -2.934 -4.824
94 H LYS 14 H LYS 14 18.186 -3.542 -5.639
95 HA LYS 14 HA LYS 14 17.040 -1.909 -3.457
96 HB2 LYS 14 HB2 LYS 14 16.286 -2.558 -6.290
97 HB3 LYS 14 HB3 LYS 14 15.002 -2.073 -5.166
98 HG2 LYS 14 HG2 LYS 14 16.653 -0.092 -4.629
99 HG3 LYS 14 HG3 LYS 14 17.308 -0.496 -6.236
100 HD2 LYS 14 HD2 LYS 14 14.843 -0.416 -7.021
101 HD3 LYS 14 HD3 LYS 14 14.542 0.448 -5.493
102 HE2 LYS 14 HE2 LYS 14 16.027 2.211 -6.094
103 HE3 LYS 14 HE3 LYS 14 16.668 1.288 -7.476
104 HZ1 LYS 14 HZ1 LYS 14 13.946 2.456 -7.199
105 HZ2 LYS 14 HZ2 LYS 14 14.391 1.401 -8.444
106 HZ3 LYS 14 HZ3 LYS 14 15.149 2.906 -8.301
107 H ASN 15 H ASN 15 16.281 -4.922 -5.250
108 HA ASN 15 HA ASN 15 15.116 -6.794 -4.603
109 HB2 ASN 15 HB2 ASN 15 15.341 -5.865 -1.725
110 HB3 ASN 15 HB3 ASN 15 15.242 -7.528 -2.344
111 HD21 ASN 15 HD21 ASN 15 17.073 -7.555 -4.345
112 HD22 ASN 15 HD22 ASN 15 18.712 -7.266 -3.663
113 H GLU 16 H GLU 16 13.535 -4.879 -5.552
114 HA GLU 16 HA GLU 16 11.498 -3.927 -3.800
115 HB2 GLU 16 HB2 GLU 16 11.229 -4.604 -6.752
116 HB3 GLU 16 HB3 GLU 16 10.207 -3.494 -5.817
117 HG2 GLU 16 HG2 GLU 16 12.371 -2.179 -5.374
118 HG3 GLU 16 HG3 GLU 16 13.064 -3.142 -6.698
119 H CYS 17 H CYS 17 12.065 -7.036 -5.269
120 HA CYS 17 HA CYS 17 9.490 -8.131 -5.330
121 HB2 CYS 17 HB2 CYS 17 12.041 -9.528 -4.433
122 HB3 CYS 17 HB3 CYS 17 10.571 -10.317 -5.042
123 H CYS 18 H CYS 18 8.341 -9.526 -3.876
124 HA CYS 18 HA CYS 18 8.073 -8.390 -1.266
125 HB2 CYS 18 HB2 CYS 18 7.085 -11.049 -2.369
126 HB3 CYS 18 HB3 CYS 18 6.549 -10.320 -0.841
127 H SER 19 H SER 19 7.873 -10.188 0.640
128 HA SER 19 HA SER 19 10.640 -10.787 1.252
129 HB2 SER 19 HB2 SER 19 9.315 -10.168 3.109
130 HB3 SER 19 HB3 SER 19 7.999 -11.278 2.654
131 HG SER 19 HG SER 19 9.264 -12.069 4.421
132 H GLY 20 H GLY 20 11.774 -12.521 0.728
133 HA2 GLY 20 HA2 GLY 20 11.994 -14.949 0.796
134 HA3 GLY 20 HA3 GLY 20 10.279 -15.089 0.371
135 H TYR 21 H TYR 21 11.826 -12.622 -1.372
136 HA TYR 21 HA TYR 21 12.251 -14.503 -3.661
137 HB2 TYR 21 HB2 TYR 21 11.041 -11.714 -3.650
138 HB3 TYR 21 HB3 TYR 21 11.553 -12.559 -5.128
139 HD1 TYR 21 HD2 TYR 21 9.381 -13.080 -2.121
140 HD2 TYR 21 HD1 TYR 21 9.990 -13.829 -6.264
141 HE1 TYR 21 HE2 TYR 21 7.190 -14.191 -2.236
142 HE2 TYR 21 HE1 TYR 21 7.801 -14.940 -6.391
143 HH TYR 21 HH TYR 21 5.715 -15.242 -3.505
144 H ALA 22 H ALA 22 13.913 -14.026 -5.127
145 HA ALA 22 HA ALA 22 15.958 -12.166 -3.988
146 HB1 ALA 22 HB1 ALA 22 17.156 -13.868 -5.903
147 HB2 ALA 22 HB2 ALA 22 17.359 -13.887 -4.134
148 HB3 ALA 22 HB3 ALA 22 16.101 -14.890 -4.896
149 H CYS 23 H CYS 23 17.458 -11.187 -5.608
150 HA CYS 23 HA CYS 23 15.906 -10.433 -8.053
151 HB2 CYS 23 HB2 CYS 23 17.354 -8.835 -6.028
152 HB3 CYS 23 HB3 CYS 23 17.730 -8.400 -7.710
153 H SER 24 H SER 24 16.846 -10.599 -10.005
154 HA SER 24 HA SER 24 19.715 -11.453 -10.016
155 HB2 SER 24 HB2 SER 24 17.435 -12.855 -10.943
156 HB3 SER 24 HB3 SER 24 18.279 -12.274 -12.398
157 HG SER 24 HG SER 24 19.138 -14.269 -11.800
158 H SER 25 H SER 25 20.938 -9.847 -10.729
159 HA SER 25 HA SER 25 19.891 -7.729 -12.393
160 HB2 SER 25 HB2 SER 25 22.018 -6.746 -12.203
161 HB3 SER 25 HB3 SER 25 21.881 -7.698 -10.705
162 HG SER 25 HG SER 25 23.912 -7.996 -11.770
163 H ARG 26 H ARG 26 21.291 -10.836 -13.005
164 HA ARG 26 HA ARG 26 22.502 -10.481 -15.503
165 HB2 ARG 26 HB2 ARG 26 22.302 -12.606 -14.086
166 HB3 ARG 26 HB3 ARG 26 20.711 -12.835 -14.838
167 HG2 ARG 26 HG2 ARG 26 22.162 -14.155 -16.110
168 HG3 ARG 26 HG3 ARG 26 21.941 -12.678 -17.080
169 HD2 ARG 26 HD2 ARG 26 24.081 -11.921 -16.668
170 HD3 ARG 26 HD3 ARG 26 24.214 -12.814 -15.133
171 HE ARG 26 HE ARG 26 24.022 -14.581 -17.423
172 HH11 ARG 26 HH11 ARG 26 26.193 -12.537 -15.531
173 HH12 ARG 26 HH12 ARG 26 27.639 -13.451 -15.977
174 HH21 ARG 26 HH21 ARG 26 25.892 -15.756 -17.993
175 HH22 ARG 26 HH22 ARG 26 27.468 -15.265 -17.365
176 H ASP 27 H ASP 27 19.047 -11.073 -14.779
177 HA ASP 27 HA ASP 27 18.456 -10.209 -17.585
178 HB2 ASP 27 HB2 ASP 27 17.535 -12.479 -16.010
179 HB3 ASP 27 HB3 ASP 27 16.168 -11.478 -16.546
180 H LYS 28 H LYS 28 18.448 -9.195 -14.441
181 HA LYS 28 HA LYS 28 17.398 -7.481 -13.332
182 HB2 LYS 28 HB2 LYS 28 16.869 -6.773 -16.214
183 HB3 LYS 28 HB3 LYS 28 16.139 -5.805 -14.917
184 HG2 LYS 28 HG2 LYS 28 18.341 -5.304 -14.013
185 HG3 LYS 28 HG3 LYS 28 19.103 -6.334 -15.250
186 HD2 LYS 28 HD2 LYS 28 19.261 -3.989 -15.893
187 HD3 LYS 28 HD3 LYS 28 18.184 -4.862 -17.012
188 HE2 LYS 28 HE2 LYS 28 17.260 -2.675 -16.403
189 HE3 LYS 28 HE3 LYS 28 16.230 -4.001 -15.814
190 HZ1 LYS 28 HZ1 LYS 28 16.973 -3.677 -13.626
191 HZ2 LYS 28 HZ2 LYS 28 16.678 -2.119 -14.213
192 HZ3 LYS 28 HZ3 LYS 28 18.266 -2.692 -14.095
193 H TRP 29 H TRP 29 16.062 -9.741 -13.013
194 HA TRP 29 HA TRP 29 13.231 -8.823 -13.109
195 HB2 TRP 29 HB2 TRP 29 12.545 -11.199 -13.620
196 HB3 TRP 29 HB3 TRP 29 13.371 -10.360 -14.953
197 HD1 TRP 29 HD1 TRP 29 15.683 -11.600 -12.258
198 HE1 TRP 29 HE1 TRP 29 16.993 -13.685 -13.080
199 HE3 TRP 29 HE3 TRP 29 13.023 -12.516 -16.526
200 HZ2 TRP 29 HZ2 TRP 29 16.857 -15.453 -15.285
201 HZ3 TRP 29 HZ3 TRP 29 13.677 -14.423 -17.937
202 HH2 TRP 29 HH2 TRP 29 15.555 -15.860 -17.328
203 H CYS 30 H CYS 30 11.928 -10.768 -11.848
204 HA CYS 30 HA CYS 30 13.218 -10.728 -9.174
205 HB2 CYS 30 HB2 CYS 30 10.396 -10.969 -10.184
206 HB3 CYS 30 HB3 CYS 30 10.795 -11.648 -8.592
207 H LYS 31 H LYS 31 12.892 -12.644 -7.755
208 HA LYS 31 HA LYS 31 12.812 -15.199 -9.276
209 HB2 LYS 31 HB2 LYS 31 14.984 -14.571 -7.248
210 HB3 LYS 31 HB3 LYS 31 14.837 -16.022 -8.257
211 HG2 LYS 31 HG2 LYS 31 15.290 -13.225 -9.325
212 HG3 LYS 31 HG3 LYS 31 16.574 -14.426 -9.033
213 HD2 LYS 31 HD2 LYS 31 14.327 -15.448 -10.632
214 HD3 LYS 31 HD3 LYS 31 15.196 -14.092 -11.392
215 HE2 LYS 31 HE2 LYS 31 17.175 -15.266 -11.545
216 HE3 LYS 31 HE3 LYS 31 16.775 -16.327 -10.173
217 HZ1 LYS 31 HZ1 LYS 31 16.604 -17.028 -12.773
218 HZ2 LYS 31 HZ2 LYS 31 15.002 -16.596 -12.443
219 HZ3 LYS 31 HZ3 LYS 31 15.766 -17.788 -11.514
220 H VAL 32 H VAL 32 12.219 -17.021 -8.068
221 HA VAL 32 HA VAL 32 11.310 -16.423 -5.284
222 HB VAL 32 HB VAL 32 9.370 -16.379 -6.825
223 HG11 VAL 32 HG11 VAL 32 8.987 -17.916 -8.410
224 HG12 VAL 32 HG12 VAL 32 10.669 -18.431 -8.137
225 HG13 VAL 32 HG13 VAL 32 9.336 -19.269 -7.309
226 HG21 VAL 32 HG21 VAL 32 9.529 -17.532 -4.393
227 HG22 VAL 32 HG22 VAL 32 8.016 -17.412 -5.321
228 HG23 VAL 32 HG23 VAL 32 8.955 -18.922 -5.344
229 H LEU 33 H LEU 33 11.829 -17.895 -3.787
230 HA LEU 33 HA LEU 33 13.596 -20.055 -4.517
231 HB2 LEU 33 HB2 LEU 33 12.160 -19.525 -1.900
232 HB3 LEU 33 HB3 LEU 33 13.542 -20.620 -2.137
233 HG LEU 33 HG LEU 33 13.736 -17.659 -2.703
234 HD11 LEU 33 HD11 LEU 33 13.201 -17.470 -0.486
235 HD12 LEU 33 HD12 LEU 33 14.947 -17.791 -0.352
236 HD13 LEU 33 HD13 LEU 33 13.778 -19.108 -0.090
237 HD21 LEU 33 HD21 LEU 33 16.108 -18.045 -2.412
238 HD22 LEU 33 HD22 LEU 33 15.464 -19.185 -3.616
239 HD23 LEU 33 HD23 LEU 33 15.811 -19.742 -1.961
240 H LEU 34 H LEU 34 12.974 -21.864 -5.477
241 HA LEU 34 HA LEU 34 10.224 -22.832 -5.166
242 HB2 LEU 34 HB2 LEU 34 12.581 -24.089 -6.601
243 HB3 LEU 34 HB3 LEU 34 10.870 -24.544 -6.768
244 HG LEU 34 HG LEU 34 11.761 -21.756 -7.459
245 HD11 LEU 34 HD11 LEU 34 13.320 -23.196 -8.647
246 HD12 LEU 34 HD12 LEU 34 12.135 -22.498 -9.778
247 HD13 LEU 34 HD13 LEU 34 11.974 -24.191 -9.251
248 HD21 LEU 34 HD21 LEU 34 9.896 -22.111 -9.150
249 HD22 LEU 34 HD22 LEU 34 9.412 -22.044 -7.440
250 HD23 LEU 34 HD23 LEU 34 9.520 -23.613 -8.274
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 0.731 0.874 -0.439
2 H2 ALA 1 H2 ALA 1 1.949 0.530 -1.572
3 H3 ALA 1 H3 ALA 1 0.388 -0.106 -1.782
4 HA ALA 1 HA ALA 1 2.442 -0.823 0.174
5 HB1 ALA 1 HB1 ALA 1 0.543 -0.568 1.553
6 HB2 ALA 1 HB2 ALA 1 -0.543 -1.265 0.328
7 HB3 ALA 1 HB3 ALA 1 0.626 -2.306 1.177
8 H GLU 2 H GLU 2 2.180 -1.027 -2.769
9 HA GLU 2 HA GLU 2 1.789 -3.976 -3.024
10 HB2 GLU 2 HB2 GLU 2 0.480 -2.416 -4.524
11 HB3 GLU 2 HB3 GLU 2 2.021 -1.920 -5.249
12 HG2 GLU 2 HG2 GLU 2 2.423 -4.128 -6.084
13 HG3 GLU 2 HG3 GLU 2 1.030 -4.776 -5.187
14 H CYS 3 H CYS 3 3.382 -5.305 -3.772
15 HA CYS 3 HA CYS 3 6.035 -4.001 -4.233
16 HB2 CYS 3 HB2 CYS 3 7.057 -6.024 -3.171
17 HB3 CYS 3 HB3 CYS 3 6.072 -5.060 -2.051
18 H LYS 4 H LYS 4 7.605 -5.504 -5.364
19 HA LYS 4 HA LYS 4 6.529 -6.214 -7.893
20 HB2 LYS 4 HB2 LYS 4 9.123 -6.456 -6.493
21 HB3 LYS 4 HB3 LYS 4 8.849 -7.689 -7.740
22 HG2 LYS 4 HG2 LYS 4 10.037 -5.721 -8.609
23 HG3 LYS 4 HG3 LYS 4 8.463 -5.967 -9.408
24 HD2 LYS 4 HD2 LYS 4 7.458 -4.206 -8.124
25 HD3 LYS 4 HD3 LYS 4 8.901 -4.065 -7.089
26 HE2 LYS 4 HE2 LYS 4 10.219 -3.296 -8.990
27 HE3 LYS 4 HE3 LYS 4 8.818 -3.503 -10.068
28 HZ1 LYS 4 HZ1 LYS 4 9.324 -1.435 -8.046
29 HZ2 LYS 4 HZ2 LYS 4 7.720 -1.895 -8.328
30 HZ3 LYS 4 HZ3 LYS 4 8.663 -1.292 -9.597
31 H GLY 5 H GLY 5 7.003 -8.493 -8.877
32 HA2 GLY 5 HA2 GLY 5 5.767 -10.476 -6.993
33 HA3 GLY 5 HA3 GLY 5 5.407 -10.401 -8.728
34 H PHE 6 H PHE 6 6.277 -12.000 -9.833
35 HA PHE 6 HA PHE 6 8.965 -12.970 -8.948
36 HB2 PHE 6 HB2 PHE 6 7.369 -14.709 -8.513
37 HB3 PHE 6 HB3 PHE 6 6.610 -14.498 -10.108
38 HD1 PHE 6 HD1 PHE 6 10.130 -14.981 -8.926
39 HD2 PHE 6 HD2 PHE 6 6.974 -16.311 -11.452
40 HE1 PHE 6 HE1 PHE 6 11.607 -16.717 -9.851
41 HE2 PHE 6 HE2 PHE 6 8.445 -18.050 -12.380
42 HZ PHE 6 HZ PHE 6 10.765 -18.256 -11.580
43 H TRP 7 H TRP 7 6.827 -12.154 -11.635
44 HA TRP 7 HA TRP 7 9.088 -12.572 -13.527
45 HB2 TRP 7 HB2 TRP 7 6.112 -12.511 -13.766
46 HB3 TRP 7 HB3 TRP 7 7.041 -11.881 -15.143
47 HD1 TRP 7 HD1 TRP 7 8.913 -13.681 -16.190
48 HE1 TRP 7 HE1 TRP 7 8.713 -16.250 -16.506
49 HE3 TRP 7 HE3 TRP 7 5.124 -14.554 -12.869
50 HZ2 TRP 7 HZ2 TRP 7 7.118 -18.330 -15.443
51 HZ3 TRP 7 HZ3 TRP 7 4.319 -16.861 -12.578
52 HH2 TRP 7 HH2 TRP 7 5.297 -18.710 -13.839
53 H LYS 8 H LYS 8 7.637 -10.170 -11.673
54 HA LYS 8 HA LYS 8 7.596 -7.938 -13.406
55 HB2 LYS 8 HB2 LYS 8 8.149 -8.213 -10.440
56 HB3 LYS 8 HB3 LYS 8 8.105 -6.633 -11.245
57 HG2 LYS 8 HG2 LYS 8 5.829 -8.629 -11.271
58 HG3 LYS 8 HG3 LYS 8 5.975 -7.269 -10.129
59 HD2 LYS 8 HD2 LYS 8 6.063 -5.720 -12.096
60 HD3 LYS 8 HD3 LYS 8 5.729 -7.115 -13.149
61 HE2 LYS 8 HE2 LYS 8 3.907 -6.641 -10.829
62 HE3 LYS 8 HE3 LYS 8 3.792 -5.534 -12.220
63 HZ1 LYS 8 HZ1 LYS 8 3.729 -8.480 -12.555
64 HZ2 LYS 8 HZ2 LYS 8 3.230 -7.286 -13.644
65 HZ3 LYS 8 HZ3 LYS 8 2.326 -7.588 -12.246
66 H SER 9 H SER 9 9.148 -5.986 -13.030
67 HA SER 9 HA SER 9 11.906 -7.045 -13.486
68 HB2 SER 9 HB2 SER 9 10.921 -4.305 -14.326
69 HB3 SER 9 HB3 SER 9 12.306 -5.231 -14.953
70 HG SER 9 HG SER 9 10.486 -5.272 -16.380
71 H CYS 10 H CYS 10 13.391 -6.660 -12.002
72 HA CYS 10 HA CYS 10 13.091 -4.203 -10.335
73 HB2 CYS 10 HB2 CYS 10 13.634 -5.394 -8.325
74 HB3 CYS 10 HB3 CYS 10 12.309 -6.278 -9.115
75 H VAL 11 H VAL 11 15.131 -3.645 -9.158
76 HA VAL 11 HA VAL 11 17.465 -4.324 -10.906
77 HB VAL 11 HB VAL 11 18.401 -2.111 -9.988
78 HG11 VAL 11 HG11 VAL 11 15.983 -1.564 -11.661
79 HG12 VAL 11 HG12 VAL 11 17.666 -1.019 -11.868
80 HG13 VAL 11 HG13 VAL 11 17.211 -2.689 -12.286
81 HG21 VAL 11 HG21 VAL 11 17.038 -0.583 -8.935
82 HG22 VAL 11 HG22 VAL 11 15.545 -1.296 -9.591
83 HG23 VAL 11 HG23 VAL 11 16.405 -2.104 -8.259
84 HA PRO 12 HA PRO 12 19.647 -5.955 -7.452
85 HB2 PRO 12 HB2 PRO 12 22.198 -5.179 -8.017
86 HB3 PRO 12 HB3 PRO 12 21.349 -6.458 -8.922
87 HG2 PRO 12 HG2 PRO 12 21.761 -3.561 -9.635
88 HG3 PRO 12 HG3 PRO 12 21.898 -5.014 -10.671
89 HD2 PRO 12 HD2 PRO 12 19.705 -3.403 -10.681
90 HD3 PRO 12 HD3 PRO 12 19.611 -5.168 -10.977
91 H GLY 13 H GLY 13 20.088 -5.400 -5.396
92 HA2 GLY 13 HA2 GLY 13 21.043 -4.013 -3.705
93 HA3 GLY 13 HA3 GLY 13 21.125 -2.669 -4.860
94 H LYS 14 H LYS 14 18.234 -3.442 -5.635
95 HA LYS 14 HA LYS 14 17.022 -1.708 -3.562
96 HB2 LYS 14 HB2 LYS 14 16.095 -2.663 -6.289
97 HB3 LYS 14 HB3 LYS 14 15.050 -1.749 -5.184
98 HG2 LYS 14 HG2 LYS 14 17.174 -0.115 -5.198
99 HG3 LYS 14 HG3 LYS 14 17.376 -0.858 -6.803
100 HD2 LYS 14 HD2 LYS 14 14.967 -0.288 -7.267
101 HD3 LYS 14 HD3 LYS 14 14.958 0.633 -5.744
102 HE2 LYS 14 HE2 LYS 14 17.132 1.185 -7.720
103 HE3 LYS 14 HE3 LYS 14 15.494 1.777 -8.086
104 HZ1 LYS 14 HZ1 LYS 14 17.353 2.997 -6.477
105 HZ2 LYS 14 HZ2 LYS 14 16.245 2.331 -5.385
106 HZ3 LYS 14 HZ3 LYS 14 15.711 3.390 -6.591
107 H ASN 15 H ASN 15 16.328 -4.812 -5.228
108 HA ASN 15 HA ASN 15 15.193 -6.673 -4.510
109 HB2 ASN 15 HB2 ASN 15 15.491 -5.600 -1.682
110 HB3 ASN 15 HB3 ASN 15 15.287 -7.291 -2.189
111 HD21 ASN 15 HD21 ASN 15 17.382 -5.883 -0.601
112 HD22 ASN 15 HD22 ASN 15 18.922 -6.293 -1.434
113 H GLU 16 H GLU 16 13.555 -4.886 -5.534
114 HA GLU 16 HA GLU 16 11.510 -3.926 -3.756
115 HB2 GLU 16 HB2 GLU 16 11.231 -4.556 -6.715
116 HB3 GLU 16 HB3 GLU 16 10.251 -3.428 -5.757
117 HG2 GLU 16 HG2 GLU 16 13.221 -3.095 -6.215
118 HG3 GLU 16 HG3 GLU 16 11.968 -2.371 -7.252
119 H CYS 17 H CYS 17 12.165 -7.004 -5.232
120 HA CYS 17 HA CYS 17 9.616 -8.148 -5.380
121 HB2 CYS 17 HB2 CYS 17 12.173 -9.488 -4.414
122 HB3 CYS 17 HB3 CYS 17 10.734 -10.316 -5.046
123 H CYS 18 H CYS 18 8.500 -9.642 -3.959
124 HA CYS 18 HA CYS 18 8.193 -8.503 -1.317
125 HB2 CYS 18 HB2 CYS 18 7.053 -11.024 -2.581
126 HB3 CYS 18 HB3 CYS 18 6.564 -10.387 -0.997
127 H SER 19 H SER 19 8.021 -10.077 0.625
128 HA SER 19 HA SER 19 10.671 -10.958 1.205
129 HB2 SER 19 HB2 SER 19 9.231 -10.295 3.013
130 HB3 SER 19 HB3 SER 19 8.005 -11.504 2.561
131 HG SER 19 HG SER 19 9.307 -12.179 4.349
132 H GLY 20 H GLY 20 11.734 -12.756 0.728
133 HA2 GLY 20 HA2 GLY 20 11.841 -15.178 0.679
134 HA3 GLY 20 HA3 GLY 20 10.126 -15.226 0.228
135 H TYR 21 H TYR 21 11.811 -12.779 -1.416
136 HA TYR 21 HA TYR 21 12.286 -14.613 -3.729
137 HB2 TYR 21 HB2 TYR 21 10.950 -11.881 -3.747
138 HB3 TYR 21 HB3 TYR 21 11.494 -12.734 -5.209
139 HD1 TYR 21 HD2 TYR 21 9.315 -13.233 -2.207
140 HD2 TYR 21 HD1 TYR 21 10.006 -14.130 -6.307
141 HE1 TYR 21 HE2 TYR 21 7.167 -14.426 -2.302
142 HE2 TYR 21 HE1 TYR 21 7.859 -15.324 -6.414
143 HH TYR 21 HH TYR 21 5.748 -15.581 -3.543
144 H ALA 22 H ALA 22 13.975 -14.089 -5.119
145 HA ALA 22 HA ALA 22 15.870 -12.080 -3.973
146 HB1 ALA 22 HB1 ALA 22 16.240 -14.789 -4.561
147 HB2 ALA 22 HB2 ALA 22 17.063 -13.917 -5.878
148 HB3 ALA 22 HB3 ALA 22 17.498 -13.588 -4.182
149 H CYS 23 H CYS 23 17.390 -11.100 -5.598
150 HA CYS 23 HA CYS 23 15.854 -10.466 -8.087
151 HB2 CYS 23 HB2 CYS 23 17.199 -8.765 -6.082
152 HB3 CYS 23 HB3 CYS 23 17.614 -8.368 -7.762
153 H SER 24 H SER 24 16.839 -10.627 -10.023
154 HA SER 24 HA SER 24 19.711 -11.467 -9.957
155 HB2 SER 24 HB2 SER 24 17.495 -12.866 -10.946
156 HB3 SER 24 HB3 SER 24 18.263 -12.181 -12.397
157 HG SER 24 HG SER 24 19.211 -14.173 -11.939
158 H SER 25 H SER 25 20.972 -9.848 -10.570
159 HA SER 25 HA SER 25 20.011 -7.680 -12.223
160 HB2 SER 25 HB2 SER 25 22.625 -7.238 -12.308
161 HB3 SER 25 HB3 SER 25 21.710 -6.990 -10.801
162 HG SER 25 HG SER 25 23.642 -8.222 -10.482
163 H ARG 26 H ARG 26 20.999 -10.820 -12.937
164 HA ARG 26 HA ARG 26 22.453 -10.380 -15.370
165 HB2 ARG 26 HB2 ARG 26 21.696 -12.577 -13.827
166 HB3 ARG 26 HB3 ARG 26 20.814 -12.810 -15.350
167 HG2 ARG 26 HG2 ARG 26 22.787 -13.912 -15.781
168 HG3 ARG 26 HG3 ARG 26 23.135 -12.297 -16.444
169 HD2 ARG 26 HD2 ARG 26 24.395 -11.687 -14.504
170 HD3 ARG 26 HD3 ARG 26 23.861 -13.142 -13.628
171 HE ARG 26 HE ARG 26 26.083 -12.922 -15.454
172 HH11 ARG 26 HH11 ARG 26 23.524 -15.082 -14.335
173 HH12 ARG 26 HH12 ARG 26 24.426 -16.550 -14.726
174 HH21 ARG 26 HH21 ARG 26 27.241 -14.822 -15.956
175 HH22 ARG 26 HH22 ARG 26 26.522 -16.404 -15.639
176 H ASP 27 H ASP 27 18.997 -11.038 -14.708
177 HA ASP 27 HA ASP 27 18.434 -10.124 -17.502
178 HB2 ASP 27 HB2 ASP 27 17.538 -12.450 -16.004
179 HB3 ASP 27 HB3 ASP 27 16.154 -11.460 -16.515
180 H LYS 28 H LYS 28 18.370 -9.170 -14.347
181 HA LYS 28 HA LYS 28 17.278 -7.495 -13.219
182 HB2 LYS 28 HB2 LYS 28 16.770 -6.754 -16.094
183 HB3 LYS 28 HB3 LYS 28 15.983 -5.830 -14.800
184 HG2 LYS 28 HG2 LYS 28 17.921 -4.622 -15.245
185 HG3 LYS 28 HG3 LYS 28 18.349 -5.586 -13.810
186 HD2 LYS 28 HD2 LYS 28 19.421 -7.260 -15.291
187 HD3 LYS 28 HD3 LYS 28 19.049 -6.226 -16.692
188 HE2 LYS 28 HE2 LYS 28 21.368 -5.932 -15.927
189 HE3 LYS 28 HE3 LYS 28 20.421 -4.435 -15.759
190 HZ1 LYS 28 HZ1 LYS 28 20.165 -4.881 -13.412
191 HZ2 LYS 28 HZ2 LYS 28 21.809 -4.894 -13.809
192 HZ3 LYS 28 HZ3 LYS 28 20.990 -6.352 -13.552
193 H TRP 29 H TRP 29 15.989 -9.784 -12.940
194 HA TRP 29 HA TRP 29 13.140 -8.927 -13.048
195 HB2 TRP 29 HB2 TRP 29 12.515 -11.317 -13.586
196 HB3 TRP 29 HB3 TRP 29 13.323 -10.442 -14.906
197 HD1 TRP 29 HD1 TRP 29 15.641 -11.668 -12.201
198 HE1 TRP 29 HE1 TRP 29 17.014 -13.703 -13.047
199 HE3 TRP 29 HE3 TRP 29 13.059 -12.566 -16.521
200 HZ2 TRP 29 HZ2 TRP 29 16.950 -15.430 -15.286
201 HZ3 TRP 29 HZ3 TRP 29 13.780 -14.429 -17.959
202 HH2 TRP 29 HH2 TRP 29 15.685 -15.830 -17.355
203 H CYS 30 H CYS 30 11.871 -10.917 -11.817
204 HA CYS 30 HA CYS 30 13.126 -10.864 -9.129
205 HB2 CYS 30 HB2 CYS 30 10.349 -11.068 -10.198
206 HB3 CYS 30 HB3 CYS 30 10.684 -11.951 -8.692
207 H LYS 31 H LYS 31 12.913 -12.790 -7.735
208 HA LYS 31 HA LYS 31 12.921 -15.339 -9.271
209 HB2 LYS 31 HB2 LYS 31 15.061 -14.634 -7.234
210 HB3 LYS 31 HB3 LYS 31 14.973 -16.089 -8.243
211 HG2 LYS 31 HG2 LYS 31 15.326 -13.275 -9.304
212 HG3 LYS 31 HG3 LYS 31 16.649 -14.433 -9.018
213 HD2 LYS 31 HD2 LYS 31 14.452 -15.546 -10.613
214 HD3 LYS 31 HD3 LYS 31 15.232 -14.136 -11.372
215 HE2 LYS 31 HE2 LYS 31 17.269 -15.193 -11.563
216 HE3 LYS 31 HE3 LYS 31 16.957 -16.279 -10.189
217 HZ1 LYS 31 HZ1 LYS 31 15.530 -16.475 -12.791
218 HZ2 LYS 31 HZ2 LYS 31 15.513 -17.591 -11.521
219 HZ3 LYS 31 HZ3 LYS 31 16.925 -17.360 -12.424
220 H VAL 32 H VAL 32 12.441 -17.203 -8.056
221 HA VAL 32 HA VAL 32 11.479 -16.652 -5.280
222 HB VAL 32 HB VAL 32 9.533 -16.688 -6.786
223 HG11 VAL 32 HG11 VAL 32 10.915 -18.525 -8.248
224 HG12 VAL 32 HG12 VAL 32 9.755 -19.570 -7.392
225 HG13 VAL 32 HG13 VAL 32 9.169 -18.223 -8.397
226 HG21 VAL 32 HG21 VAL 32 9.298 -19.316 -5.410
227 HG22 VAL 32 HG22 VAL 32 9.752 -17.917 -4.409
228 HG23 VAL 32 HG23 VAL 32 8.239 -17.887 -5.345
229 H LEU 33 H LEU 33 12.127 -18.067 -3.791
230 HA LEU 33 HA LEU 33 13.870 -20.251 -4.623
231 HB2 LEU 33 HB2 LEU 33 12.819 -19.540 -1.870
232 HB3 LEU 33 HB3 LEU 33 14.171 -20.634 -2.236
233 HG LEU 33 HG LEU 33 14.245 -17.728 -3.040
234 HD11 LEU 33 HD11 LEU 33 15.637 -17.484 -0.891
235 HD12 LEU 33 HD12 LEU 33 14.802 -18.957 -0.344
236 HD13 LEU 33 HD13 LEU 33 13.864 -17.499 -0.742
237 HD21 LEU 33 HD21 LEU 33 16.094 -20.036 -2.963
238 HD22 LEU 33 HD22 LEU 33 16.767 -18.491 -2.387
239 HD23 LEU 33 HD23 LEU 33 16.077 -18.607 -4.024
240 H LEU 34 H LEU 34 13.035 -22.056 -5.435
241 HA LEU 34 HA LEU 34 10.373 -22.968 -4.691
242 HB2 LEU 34 HB2 LEU 34 12.586 -23.967 -6.458
243 HB3 LEU 34 HB3 LEU 34 11.251 -25.055 -6.021
244 HG LEU 34 HG LEU 34 10.902 -22.376 -7.398
245 HD11 LEU 34 HD11 LEU 34 10.857 -23.426 -9.446
246 HD12 LEU 34 HD12 LEU 34 10.500 -25.023 -8.746
247 HD13 LEU 34 HD13 LEU 34 12.139 -24.343 -8.619
248 HD21 LEU 34 HD21 LEU 34 8.804 -22.683 -6.650
249 HD22 LEU 34 HD22 LEU 34 9.082 -24.400 -6.268
250 HD23 LEU 34 HD23 LEU 34 8.703 -23.909 -7.937
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 -0.817 0.631 -1.525
2 H2 ALA 1 H2 ALA 1 0.028 -0.421 -0.495
3 H3 ALA 1 H3 ALA 1 0.456 1.220 -0.570
4 HA ALA 1 HA ALA 1 0.628 0.484 -3.124
5 HB1 ALA 1 HB1 ALA 1 2.935 0.880 -2.886
6 HB2 ALA 1 HB2 ALA 1 2.169 1.849 -1.602
7 HB3 ALA 1 HB3 ALA 1 2.949 0.299 -1.203
8 H GLU 2 H GLU 2 1.936 -1.133 -4.231
9 HA GLU 2 HA GLU 2 1.717 -3.784 -2.857
10 HB2 GLU 2 HB2 GLU 2 0.278 -3.160 -4.986
11 HB3 GLU 2 HB3 GLU 2 1.787 -3.510 -5.854
12 HG2 GLU 2 HG2 GLU 2 1.719 -5.745 -5.363
13 HG3 GLU 2 HG3 GLU 2 0.796 -5.504 -3.861
14 H CYS 3 H CYS 3 3.256 -5.447 -3.629
15 HA CYS 3 HA CYS 3 5.903 -4.162 -4.161
16 HB2 CYS 3 HB2 CYS 3 6.900 -6.114 -3.030
17 HB3 CYS 3 HB3 CYS 3 5.750 -5.271 -1.971
18 H LYS 4 H LYS 4 7.487 -5.497 -5.348
19 HA LYS 4 HA LYS 4 6.510 -6.241 -7.878
20 HB2 LYS 4 HB2 LYS 4 9.055 -6.426 -6.413
21 HB3 LYS 4 HB3 LYS 4 8.847 -7.710 -7.620
22 HG2 LYS 4 HG2 LYS 4 10.022 -5.774 -8.544
23 HG3 LYS 4 HG3 LYS 4 8.462 -6.045 -9.357
24 HD2 LYS 4 HD2 LYS 4 7.437 -4.275 -8.016
25 HD3 LYS 4 HD3 LYS 4 8.973 -4.028 -7.149
26 HE2 LYS 4 HE2 LYS 4 10.038 -3.147 -9.050
27 HE3 LYS 4 HE3 LYS 4 8.801 -3.799 -10.152
28 HZ1 LYS 4 HZ1 LYS 4 7.260 -2.222 -8.764
29 HZ2 LYS 4 HZ2 LYS 4 8.182 -1.617 -10.047
30 HZ3 LYS 4 HZ3 LYS 4 8.707 -1.402 -8.452
31 H GLY 5 H GLY 5 7.037 -8.501 -8.879
32 HA2 GLY 5 HA2 GLY 5 5.801 -10.535 -7.049
33 HA3 GLY 5 HA3 GLY 5 5.422 -10.414 -8.778
34 H PHE 6 H PHE 6 6.264 -12.019 -9.898
35 HA PHE 6 HA PHE 6 8.982 -12.974 -9.082
36 HB2 PHE 6 HB2 PHE 6 7.399 -14.733 -8.675
37 HB3 PHE 6 HB3 PHE 6 6.625 -14.487 -10.257
38 HD1 PHE 6 HD1 PHE 6 10.134 -15.030 -9.066
39 HD2 PHE 6 HD2 PHE 6 7.010 -16.212 -11.703
40 HE1 PHE 6 HE1 PHE 6 11.613 -16.733 -10.048
41 HE2 PHE 6 HE2 PHE 6 8.482 -17.917 -12.689
42 HZ PHE 6 HZ PHE 6 10.788 -18.179 -11.863
43 H TRP 7 H TRP 7 6.776 -12.245 -11.766
44 HA TRP 7 HA TRP 7 9.042 -12.533 -13.669
45 HB2 TRP 7 HB2 TRP 7 6.749 -13.562 -14.114
46 HB3 TRP 7 HB3 TRP 7 6.146 -11.903 -14.325
47 HD1 TRP 7 HD1 TRP 7 6.150 -11.109 -16.749
48 HE1 TRP 7 HE1 TRP 7 7.417 -11.701 -18.936
49 HE3 TRP 7 HE3 TRP 7 9.358 -14.599 -14.832
50 HZ2 TRP 7 HZ2 TRP 7 9.513 -13.448 -19.681
51 HZ3 TRP 7 HZ3 TRP 7 10.962 -15.684 -16.350
52 HH2 TRP 7 HH2 TRP 7 11.038 -15.120 -18.725
53 H LYS 8 H LYS 8 7.673 -10.208 -11.722
54 HA LYS 8 HA LYS 8 7.520 -7.948 -13.448
55 HB2 LYS 8 HB2 LYS 8 8.134 -8.205 -10.486
56 HB3 LYS 8 HB3 LYS 8 7.935 -6.642 -11.301
57 HG2 LYS 8 HG2 LYS 8 5.823 -8.805 -11.321
58 HG3 LYS 8 HG3 LYS 8 5.906 -7.517 -10.096
59 HD2 LYS 8 HD2 LYS 8 6.048 -6.616 -12.914
60 HD3 LYS 8 HD3 LYS 8 4.498 -7.337 -12.413
61 HE2 LYS 8 HE2 LYS 8 4.762 -5.765 -10.336
62 HE3 LYS 8 HE3 LYS 8 5.889 -4.876 -11.389
63 HZ1 LYS 8 HZ1 LYS 8 3.165 -4.604 -11.329
64 HZ2 LYS 8 HZ2 LYS 8 3.440 -5.518 -12.725
65 HZ3 LYS 8 HZ3 LYS 8 4.201 -4.020 -12.533
66 H SER 9 H SER 9 9.037 -5.961 -12.983
67 HA SER 9 HA SER 9 11.807 -6.953 -13.508
68 HB2 SER 9 HB2 SER 9 11.996 -4.484 -14.438
69 HB3 SER 9 HB3 SER 9 11.229 -5.757 -15.417
70 HG SER 9 HG SER 9 9.973 -3.816 -15.333
71 H CYS 10 H CYS 10 13.397 -6.482 -12.145
72 HA CYS 10 HA CYS 10 13.082 -4.139 -10.348
73 HB2 CYS 10 HB2 CYS 10 13.575 -5.384 -8.359
74 HB3 CYS 10 HB3 CYS 10 12.235 -6.217 -9.176
75 H VAL 11 H VAL 11 15.124 -3.654 -9.148
76 HA VAL 11 HA VAL 11 17.456 -4.370 -10.885
77 HB VAL 11 HB VAL 11 18.438 -2.191 -9.929
78 HG11 VAL 11 HG11 VAL 11 16.268 -2.469 -11.966
79 HG12 VAL 11 HG12 VAL 11 16.830 -0.833 -11.544
80 HG13 VAL 11 HG13 VAL 11 17.981 -2.038 -12.171
81 HG21 VAL 11 HG21 VAL 11 16.185 -2.228 -8.359
82 HG22 VAL 11 HG22 VAL 11 17.201 -0.799 -8.669
83 HG23 VAL 11 HG23 VAL 11 15.733 -1.075 -9.637
84 HA PRO 12 HA PRO 12 19.561 -6.094 -7.431
85 HB2 PRO 12 HB2 PRO 12 22.138 -5.377 -7.961
86 HB3 PRO 12 HB3 PRO 12 21.266 -6.624 -8.890
87 HG2 PRO 12 HG2 PRO 12 21.757 -3.730 -9.565
88 HG3 PRO 12 HG3 PRO 12 21.868 -5.174 -10.617
89 HD2 PRO 12 HD2 PRO 12 19.717 -3.508 -10.629
90 HD3 PRO 12 HD3 PRO 12 19.581 -5.265 -10.946
91 H GLY 13 H GLY 13 19.843 -5.536 -5.364
92 HA2 GLY 13 HA2 GLY 13 20.899 -4.196 -3.658
93 HA3 GLY 13 HA3 GLY 13 20.967 -2.832 -4.792
94 H LYS 14 H LYS 14 18.148 -3.335 -5.653
95 HA LYS 14 HA LYS 14 16.925 -1.727 -3.521
96 HB2 LYS 14 HB2 LYS 14 16.186 -2.535 -6.321
97 HB3 LYS 14 HB3 LYS 14 14.904 -1.991 -5.222
98 HG2 LYS 14 HG2 LYS 14 15.707 -0.143 -6.567
99 HG3 LYS 14 HG3 LYS 14 16.126 0.115 -4.856
100 HD2 LYS 14 HD2 LYS 14 18.397 -0.399 -5.221
101 HD3 LYS 14 HD3 LYS 14 18.061 -1.152 -6.799
102 HE2 LYS 14 HE2 LYS 14 19.034 0.952 -7.279
103 HE3 LYS 14 HE3 LYS 14 17.289 1.144 -7.573
104 HZ1 LYS 14 HZ1 LYS 14 17.603 1.818 -4.946
105 HZ2 LYS 14 HZ2 LYS 14 17.440 2.901 -6.234
106 HZ3 LYS 14 HZ3 LYS 14 18.979 2.477 -5.675
107 H ASN 15 H ASN 15 16.346 -4.878 -5.117
108 HA ASN 15 HA ASN 15 15.163 -6.719 -4.423
109 HB2 ASN 15 HB2 ASN 15 15.981 -5.502 -1.780
110 HB3 ASN 15 HB3 ASN 15 14.967 -6.962 -1.830
111 HD21 ASN 15 HD21 ASN 15 16.270 -8.535 -1.191
112 HD22 ASN 15 HD22 ASN 15 17.855 -8.919 -1.949
113 H GLU 16 H GLU 16 13.573 -4.740 -5.369
114 HA GLU 16 HA GLU 16 11.519 -3.874 -3.587
115 HB2 GLU 16 HB2 GLU 16 11.313 -4.410 -6.572
116 HB3 GLU 16 HB3 GLU 16 10.226 -3.392 -5.607
117 HG2 GLU 16 HG2 GLU 16 12.280 -1.991 -5.048
118 HG3 GLU 16 HG3 GLU 16 13.109 -2.890 -6.341
119 H CYS 17 H CYS 17 12.122 -6.908 -5.195
120 HA CYS 17 HA CYS 17 9.557 -8.019 -5.320
121 HB2 CYS 17 HB2 CYS 17 12.127 -9.422 -4.490
122 HB3 CYS 17 HB3 CYS 17 10.661 -10.212 -5.107
123 H CYS 18 H CYS 18 8.482 -9.585 -3.931
124 HA CYS 18 HA CYS 18 8.189 -8.545 -1.263
125 HB2 CYS 18 HB2 CYS 18 7.175 -11.141 -2.487
126 HB3 CYS 18 HB3 CYS 18 6.624 -10.444 -0.947
127 H SER 19 H SER 19 8.317 -9.879 0.724
128 HA SER 19 HA SER 19 10.957 -10.738 1.187
129 HB2 SER 19 HB2 SER 19 9.648 -10.137 3.076
130 HB3 SER 19 HB3 SER 19 8.352 -11.278 2.645
131 HG SER 19 HG SER 19 9.683 -12.051 4.370
132 H GLY 20 H GLY 20 12.073 -12.551 0.858
133 HA2 GLY 20 HA2 GLY 20 12.207 -14.974 0.847
134 HA3 GLY 20 HA3 GLY 20 10.520 -15.044 0.304
135 H TYR 21 H TYR 21 11.231 -12.724 -1.594
136 HA TYR 21 HA TYR 21 12.181 -14.529 -3.749
137 HB2 TYR 21 HB2 TYR 21 10.841 -11.801 -3.801
138 HB3 TYR 21 HB3 TYR 21 11.403 -12.659 -5.253
139 HD1 TYR 21 HD2 TYR 21 9.210 -13.175 -2.263
140 HD2 TYR 21 HD1 TYR 21 9.919 -14.042 -6.367
141 HE1 TYR 21 HE2 TYR 21 7.069 -14.377 -2.372
142 HE2 TYR 21 HE1 TYR 21 7.778 -15.245 -6.488
143 HH TYR 21 HH TYR 21 5.772 -15.740 -3.595
144 H ALA 22 H ALA 22 13.889 -14.044 -5.120
145 HA ALA 22 HA ALA 22 15.770 -12.007 -4.001
146 HB1 ALA 22 HB1 ALA 22 16.616 -14.287 -3.866
147 HB2 ALA 22 HB2 ALA 22 16.352 -14.510 -5.613
148 HB3 ALA 22 HB3 ALA 22 17.566 -13.341 -5.039
149 H CYS 23 H CYS 23 17.304 -11.059 -5.629
150 HA CYS 23 HA CYS 23 15.801 -10.496 -8.155
151 HB2 CYS 23 HB2 CYS 23 17.118 -8.738 -6.176
152 HB3 CYS 23 HB3 CYS 23 17.541 -8.379 -7.864
153 H SER 24 H SER 24 16.812 -10.702 -10.070
154 HA SER 24 HA SER 24 19.675 -11.562 -9.942
155 HB2 SER 24 HB2 SER 24 17.438 -12.891 -11.016
156 HB3 SER 24 HB3 SER 24 18.318 -12.254 -12.425
157 HG SER 24 HG SER 24 19.067 -14.344 -11.779
158 H SER 25 H SER 25 20.991 -9.983 -10.535
159 HA SER 25 HA SER 25 20.113 -7.781 -12.190
160 HB2 SER 25 HB2 SER 25 22.728 -7.389 -12.229
161 HB3 SER 25 HB3 SER 25 21.808 -7.158 -10.723
162 HG SER 25 HG SER 25 23.717 -8.431 -10.419
163 H ARG 26 H ARG 26 21.031 -10.942 -12.907
164 HA ARG 26 HA ARG 26 22.531 -10.526 -15.315
165 HB2 ARG 26 HB2 ARG 26 22.322 -12.678 -13.989
166 HB3 ARG 26 HB3 ARG 26 20.705 -12.871 -14.693
167 HG2 ARG 26 HG2 ARG 26 21.814 -12.745 -16.968
168 HG3 ARG 26 HG3 ARG 26 23.370 -12.881 -16.113
169 HD2 ARG 26 HD2 ARG 26 21.185 -14.862 -15.551
170 HD3 ARG 26 HD3 ARG 26 22.152 -15.021 -17.037
171 HE ARG 26 HE ARG 26 22.977 -15.635 -14.331
172 HH11 ARG 26 HH11 ARG 26 24.085 -14.484 -17.479
173 HH12 ARG 26 HH12 ARG 26 25.744 -15.045 -17.236
174 HH21 ARG 26 HH21 ARG 26 25.118 -16.356 -14.023
175 HH22 ARG 26 HH22 ARG 26 26.325 -16.101 -15.288
176 H ASP 27 H ASP 27 19.051 -11.101 -14.706
177 HA ASP 27 HA ASP 27 18.551 -10.165 -17.504
178 HB2 ASP 27 HB2 ASP 27 17.580 -12.474 -16.030
179 HB3 ASP 27 HB3 ASP 27 16.225 -11.446 -16.549
180 H LYS 28 H LYS 28 18.478 -9.206 -14.355
181 HA LYS 28 HA LYS 28 17.412 -7.509 -13.236
182 HB2 LYS 28 HB2 LYS 28 16.937 -6.757 -16.116
183 HB3 LYS 28 HB3 LYS 28 16.176 -5.810 -14.821
184 HG2 LYS 28 HG2 LYS 28 18.154 -4.666 -15.285
185 HG3 LYS 28 HG3 LYS 28 18.536 -5.615 -13.828
186 HD2 LYS 28 HD2 LYS 28 19.573 -7.348 -15.266
187 HD3 LYS 28 HD3 LYS 28 19.249 -6.330 -16.689
188 HE2 LYS 28 HE2 LYS 28 20.943 -5.521 -14.305
189 HE3 LYS 28 HE3 LYS 28 21.576 -6.122 -15.856
190 HZ1 LYS 28 HZ1 LYS 28 21.658 -3.752 -15.869
191 HZ2 LYS 28 HZ2 LYS 28 20.040 -3.615 -15.396
192 HZ3 LYS 28 HZ3 LYS 28 20.425 -4.216 -16.930
193 H TRP 29 H TRP 29 16.070 -9.773 -12.976
194 HA TRP 29 HA TRP 29 13.242 -8.848 -13.099
195 HB2 TRP 29 HB2 TRP 29 12.560 -11.214 -13.662
196 HB3 TRP 29 HB3 TRP 29 13.405 -10.353 -14.968
197 HD1 TRP 29 HD1 TRP 29 15.677 -11.646 -12.260
198 HE1 TRP 29 HE1 TRP 29 16.996 -13.717 -13.104
199 HE3 TRP 29 HE3 TRP 29 13.082 -12.477 -16.587
200 HZ2 TRP 29 HZ2 TRP 29 16.893 -15.442 -15.343
201 HZ3 TRP 29 HZ3 TRP 29 13.756 -14.356 -18.024
202 HH2 TRP 29 HH2 TRP 29 15.623 -15.808 -17.415
203 H CYS 30 H CYS 30 11.919 -10.818 -11.893
204 HA CYS 30 HA CYS 30 13.154 -10.812 -9.195
205 HB2 CYS 30 HB2 CYS 30 10.373 -10.999 -10.285
206 HB3 CYS 30 HB3 CYS 30 10.704 -11.830 -8.750
207 H LYS 31 H LYS 31 12.833 -12.755 -7.813
208 HA LYS 31 HA LYS 31 12.798 -15.291 -9.359
209 HB2 LYS 31 HB2 LYS 31 14.985 -14.659 -7.348
210 HB3 LYS 31 HB3 LYS 31 14.847 -16.095 -8.381
211 HG2 LYS 31 HG2 LYS 31 15.205 -13.288 -9.448
212 HG3 LYS 31 HG3 LYS 31 16.549 -14.408 -9.115
213 HD2 LYS 31 HD2 LYS 31 14.394 -15.590 -10.728
214 HD3 LYS 31 HD3 LYS 31 15.184 -14.193 -11.501
215 HE2 LYS 31 HE2 LYS 31 16.669 -15.744 -12.202
216 HE3 LYS 31 HE3 LYS 31 17.351 -15.533 -10.571
217 HZ1 LYS 31 HZ1 LYS 31 15.234 -17.536 -11.084
218 HZ2 LYS 31 HZ2 LYS 31 16.366 -17.483 -9.827
219 HZ3 LYS 31 HZ3 LYS 31 16.859 -17.895 -11.393
220 H VAL 32 H VAL 32 12.355 -17.164 -8.109
221 HA VAL 32 HA VAL 32 11.413 -16.580 -5.334
222 HB VAL 32 HB VAL 32 9.451 -16.608 -6.815
223 HG11 VAL 32 HG11 VAL 32 10.844 -18.586 -8.194
224 HG12 VAL 32 HG12 VAL 32 9.486 -19.454 -7.435
225 HG13 VAL 32 HG13 VAL 32 9.171 -18.057 -8.493
226 HG21 VAL 32 HG21 VAL 32 8.120 -18.109 -5.543
227 HG22 VAL 32 HG22 VAL 32 9.506 -19.178 -5.218
228 HG23 VAL 32 HG23 VAL 32 9.429 -17.568 -4.463
229 H LEU 33 H LEU 33 12.049 -17.997 -3.839
230 HA LEU 33 HA LEU 33 13.887 -20.085 -4.551
231 HB2 LEU 33 HB2 LEU 33 12.386 -19.700 -1.945
232 HB3 LEU 33 HB3 LEU 33 13.876 -20.641 -2.190
233 HG LEU 33 HG LEU 33 13.865 -17.703 -2.806
234 HD11 LEU 33 HD11 LEU 33 14.658 -17.384 -0.408
235 HD12 LEU 33 HD12 LEU 33 13.933 -18.973 -0.066
236 HD13 LEU 33 HD13 LEU 33 12.912 -17.636 -0.647
237 HD21 LEU 33 HD21 LEU 33 16.185 -18.581 -1.458
238 HD22 LEU 33 HD22 LEU 33 16.006 -18.179 -3.182
239 HD23 LEU 33 HD23 LEU 33 15.772 -19.855 -2.632
240 H LEU 34 H LEU 34 13.550 -22.101 -5.185
241 HA LEU 34 HA LEU 34 10.798 -23.203 -4.827
242 HB2 LEU 34 HB2 LEU 34 12.970 -23.634 -6.866
243 HB3 LEU 34 HB3 LEU 34 11.713 -24.868 -6.611
244 HG LEU 34 HG LEU 34 11.211 -21.991 -7.432
245 HD11 LEU 34 HD11 LEU 34 12.365 -23.428 -9.140
246 HD12 LEU 34 HD12 LEU 34 10.764 -22.821 -9.626
247 HD13 LEU 34 HD13 LEU 34 10.951 -24.508 -9.092
248 HD21 LEU 34 HD21 LEU 34 9.355 -22.884 -6.165
249 HD22 LEU 34 HD22 LEU 34 9.367 -24.379 -7.130
250 HD23 LEU 34 HD23 LEU 34 8.919 -22.833 -7.891
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 -0.293 1.500 -1.898
2 H2 ALA 1 H2 ALA 1 -0.757 0.245 -2.944
3 H3 ALA 1 H3 ALA 1 -0.649 -0.038 -1.273
4 HA ALA 1 HA ALA 1 1.570 0.635 -3.086
5 HB1 ALA 1 HB1 ALA 1 2.939 0.001 -1.030
6 HB2 ALA 1 HB2 ALA 1 2.089 1.565 -0.977
7 HB3 ALA 1 HB3 ALA 1 1.428 0.161 -0.103
8 H GLU 2 H GLU 2 2.323 -1.027 -4.206
9 HA GLU 2 HA GLU 2 1.823 -3.766 -3.118
10 HB2 GLU 2 HB2 GLU 2 0.228 -3.343 -4.927
11 HB3 GLU 2 HB3 GLU 2 1.551 -2.855 -6.006
12 HG2 GLU 2 HG2 GLU 2 2.477 -5.118 -5.907
13 HG3 GLU 2 HG3 GLU 2 1.163 -5.610 -4.815
14 H CYS 3 H CYS 3 3.443 -5.247 -3.341
15 HA CYS 3 HA CYS 3 6.054 -4.105 -4.145
16 HB2 CYS 3 HB2 CYS 3 7.018 -6.069 -3.030
17 HB3 CYS 3 HB3 CYS 3 5.866 -5.243 -1.960
18 H LYS 4 H LYS 4 7.590 -5.467 -5.362
19 HA LYS 4 HA LYS 4 6.571 -6.158 -7.889
20 HB2 LYS 4 HB2 LYS 4 9.124 -6.445 -6.446
21 HB3 LYS 4 HB3 LYS 4 8.864 -7.692 -7.681
22 HG2 LYS 4 HG2 LYS 4 10.092 -5.765 -8.564
23 HG3 LYS 4 HG3 LYS 4 8.523 -5.979 -9.377
24 HD2 LYS 4 HD2 LYS 4 7.544 -4.194 -8.075
25 HD3 LYS 4 HD3 LYS 4 9.020 -4.052 -7.089
26 HE2 LYS 4 HE2 LYS 4 10.287 -3.322 -9.031
27 HE3 LYS 4 HE3 LYS 4 8.869 -3.567 -10.079
28 HZ1 LYS 4 HZ1 LYS 4 9.097 -1.248 -9.528
29 HZ2 LYS 4 HZ2 LYS 4 9.114 -1.584 -7.871
30 HZ3 LYS 4 HZ3 LYS 4 7.709 -1.853 -8.774
31 H GLY 5 H GLY 5 7.023 -8.422 -8.919
32 HA2 GLY 5 HA2 GLY 5 5.702 -10.424 -7.114
33 HA3 GLY 5 HA3 GLY 5 5.390 -10.301 -8.856
34 H PHE 6 H PHE 6 6.200 -11.975 -9.902
35 HA PHE 6 HA PHE 6 8.877 -12.973 -9.011
36 HB2 PHE 6 HB2 PHE 6 7.246 -14.688 -8.602
37 HB3 PHE 6 HB3 PHE 6 6.507 -14.452 -10.203
38 HD1 PHE 6 HD1 PHE 6 10.051 -14.911 -9.102
39 HD2 PHE 6 HD2 PHE 6 6.805 -16.359 -11.443
40 HE1 PHE 6 HE1 PHE 6 11.504 -16.670 -10.025
41 HE2 PHE 6 HE2 PHE 6 8.251 -18.120 -12.369
42 HZ PHE 6 HZ PHE 6 10.605 -18.276 -11.661
43 H TRP 7 H TRP 7 6.772 -12.149 -11.730
44 HA TRP 7 HA TRP 7 9.088 -12.527 -13.571
45 HB2 TRP 7 HB2 TRP 7 6.656 -13.502 -13.941
46 HB3 TRP 7 HB3 TRP 7 6.312 -11.857 -14.520
47 HD1 TRP 7 HD1 TRP 7 8.632 -14.851 -15.322
48 HE1 TRP 7 HE1 TRP 7 9.284 -14.755 -17.834
49 HE3 TRP 7 HE3 TRP 7 6.444 -10.381 -16.491
50 HZ2 TRP 7 HZ2 TRP 7 8.883 -12.967 -19.988
51 HZ3 TRP 7 HZ3 TRP 7 6.624 -9.548 -18.799
52 HH2 TRP 7 HH2 TRP 7 7.819 -10.814 -20.510
53 H LYS 8 H LYS 8 7.900 -10.194 -11.651
54 HA LYS 8 HA LYS 8 7.634 -7.965 -13.447
55 HB2 LYS 8 HB2 LYS 8 8.148 -8.253 -10.484
56 HB3 LYS 8 HB3 LYS 8 8.192 -6.660 -11.261
57 HG2 LYS 8 HG2 LYS 8 5.840 -8.566 -11.330
58 HG3 LYS 8 HG3 LYS 8 6.009 -7.174 -10.232
59 HD2 LYS 8 HD2 LYS 8 6.330 -5.785 -12.392
60 HD3 LYS 8 HD3 LYS 8 5.647 -7.203 -13.228
61 HE2 LYS 8 HE2 LYS 8 3.661 -7.071 -11.742
62 HE3 LYS 8 HE3 LYS 8 4.340 -5.600 -11.009
63 HZ1 LYS 8 HZ1 LYS 8 2.647 -5.533 -13.032
64 HZ2 LYS 8 HZ2 LYS 8 4.082 -5.638 -13.921
65 HZ3 LYS 8 HZ3 LYS 8 3.854 -4.365 -12.829
66 H SER 9 H SER 9 9.151 -5.961 -13.011
67 HA SER 9 HA SER 9 11.919 -6.953 -13.550
68 HB2 SER 9 HB2 SER 9 12.254 -5.105 -14.979
69 HB3 SER 9 HB3 SER 9 10.581 -5.605 -15.321
70 HG SER 9 HG SER 9 10.567 -3.861 -13.272
71 H CYS 10 H CYS 10 13.456 -6.549 -12.121
72 HA CYS 10 HA CYS 10 13.163 -4.149 -10.380
73 HB2 CYS 10 HB2 CYS 10 13.684 -5.378 -8.386
74 HB3 CYS 10 HB3 CYS 10 12.346 -6.227 -9.187
75 H VAL 11 H VAL 11 15.216 -3.664 -9.179
76 HA VAL 11 HA VAL 11 17.546 -4.388 -10.916
77 HB VAL 11 HB VAL 11 18.506 -2.163 -10.053
78 HG11 VAL 11 HG11 VAL 11 17.923 -2.345 -12.342
79 HG12 VAL 11 HG12 VAL 11 16.180 -2.333 -11.978
80 HG13 VAL 11 HG13 VAL 11 17.146 -0.854 -11.759
81 HG21 VAL 11 HG21 VAL 11 16.298 -2.152 -8.448
82 HG22 VAL 11 HG22 VAL 11 17.245 -0.708 -8.880
83 HG23 VAL 11 HG23 VAL 11 15.764 -1.104 -9.783
84 HA PRO 12 HA PRO 12 19.672 -5.950 -7.399
85 HB2 PRO 12 HB2 PRO 12 22.241 -5.228 -7.961
86 HB3 PRO 12 HB3 PRO 12 21.380 -6.520 -8.838
87 HG2 PRO 12 HG2 PRO 12 21.841 -3.651 -9.629
88 HG3 PRO 12 HG3 PRO 12 21.968 -5.135 -10.622
89 HD2 PRO 12 HD2 PRO 12 19.797 -3.493 -10.698
90 HD3 PRO 12 HD3 PRO 12 19.681 -5.264 -10.946
91 H GLY 13 H GLY 13 19.673 -5.217 -5.380
92 HA2 GLY 13 HA2 GLY 13 20.803 -3.826 -3.711
93 HA3 GLY 13 HA3 GLY 13 20.876 -2.516 -4.904
94 H LYS 14 H LYS 14 18.011 -3.314 -5.695
95 HA LYS 14 HA LYS 14 16.757 -1.532 -3.696
96 HB2 LYS 14 HB2 LYS 14 15.996 -2.556 -6.431
97 HB3 LYS 14 HB3 LYS 14 14.762 -1.857 -5.364
98 HG2 LYS 14 HG2 LYS 14 16.474 0.124 -5.172
99 HG3 LYS 14 HG3 LYS 14 17.101 -0.548 -6.697
100 HD2 LYS 14 HD2 LYS 14 14.677 -0.494 -7.523
101 HD3 LYS 14 HD3 LYS 14 14.341 0.531 -6.107
102 HE2 LYS 14 HE2 LYS 14 16.614 1.213 -7.953
103 HE3 LYS 14 HE3 LYS 14 14.943 1.619 -8.413
104 HZ1 LYS 14 HZ1 LYS 14 14.856 2.656 -6.066
105 HZ2 LYS 14 HZ2 LYS 14 15.649 3.497 -7.300
106 HZ3 LYS 14 HZ3 LYS 14 16.546 2.639 -6.151
107 H ASN 15 H ASN 15 16.422 -4.825 -5.017
108 HA ASN 15 HA ASN 15 15.227 -6.639 -4.265
109 HB2 ASN 15 HB2 ASN 15 15.347 -5.489 -1.471
110 HB3 ASN 15 HB3 ASN 15 15.481 -7.184 -1.992
111 HD21 ASN 15 HD21 ASN 15 17.141 -4.589 -0.827
112 HD22 ASN 15 HD22 ASN 15 18.793 -5.036 -1.381
113 H GLU 16 H GLU 16 13.597 -4.717 -5.312
114 HA GLU 16 HA GLU 16 11.491 -3.877 -3.566
115 HB2 GLU 16 HB2 GLU 16 11.364 -4.429 -6.554
116 HB3 GLU 16 HB3 GLU 16 10.224 -3.443 -5.617
117 HG2 GLU 16 HG2 GLU 16 12.422 -2.111 -4.989
118 HG3 GLU 16 HG3 GLU 16 13.005 -2.827 -6.509
119 H CYS 17 H CYS 17 12.207 -6.899 -5.147
120 HA CYS 17 HA CYS 17 9.676 -8.080 -5.320
121 HB2 CYS 17 HB2 CYS 17 12.327 -9.333 -4.505
122 HB3 CYS 17 HB3 CYS 17 10.876 -10.255 -4.956
123 H CYS 18 H CYS 18 8.588 -9.635 -3.950
124 HA CYS 18 HA CYS 18 8.287 -8.606 -1.265
125 HB2 CYS 18 HB2 CYS 18 7.195 -11.148 -2.533
126 HB3 CYS 18 HB3 CYS 18 6.648 -10.441 -0.998
127 H SER 19 H SER 19 8.353 -9.982 0.695
128 HA SER 19 HA SER 19 10.953 -10.932 1.172
129 HB2 SER 19 HB2 SER 19 9.585 -10.339 3.039
130 HB3 SER 19 HB3 SER 19 8.321 -11.501 2.574
131 HG SER 19 HG SER 19 9.642 -12.268 4.311
132 H GLY 20 H GLY 20 12.023 -12.799 0.911
133 HA2 GLY 20 HA2 GLY 20 12.112 -15.203 0.785
134 HA3 GLY 20 HA3 GLY 20 10.427 -15.225 0.233
135 H TYR 21 H TYR 21 11.204 -12.869 -1.601
136 HA TYR 21 HA TYR 21 12.145 -14.646 -3.790
137 HB2 TYR 21 HB2 TYR 21 10.808 -11.914 -3.803
138 HB3 TYR 21 HB3 TYR 21 11.373 -12.751 -5.266
139 HD1 TYR 21 HD2 TYR 21 9.165 -13.301 -2.293
140 HD2 TYR 21 HD1 TYR 21 9.894 -14.121 -6.404
141 HE1 TYR 21 HE2 TYR 21 7.020 -14.496 -2.428
142 HE2 TYR 21 HE1 TYR 21 7.751 -15.318 -6.550
143 HH TYR 21 HH TYR 21 5.615 -15.632 -3.703
144 H ALA 22 H ALA 22 13.859 -14.131 -5.144
145 HA ALA 22 HA ALA 22 15.735 -12.117 -3.977
146 HB1 ALA 22 HB1 ALA 22 16.933 -14.058 -3.832
147 HB2 ALA 22 HB2 ALA 22 16.125 -14.797 -5.236
148 HB3 ALA 22 HB3 ALA 22 17.384 -13.563 -5.482
149 H CYS 23 H CYS 23 17.288 -11.154 -5.587
150 HA CYS 23 HA CYS 23 15.789 -10.526 -8.101
151 HB2 CYS 23 HB2 CYS 23 17.092 -8.821 -6.080
152 HB3 CYS 23 HB3 CYS 23 17.569 -8.438 -7.749
153 H SER 24 H SER 24 16.803 -10.684 -10.023
154 HA SER 24 HA SER 24 19.666 -11.549 -9.913
155 HB2 SER 24 HB2 SER 24 17.442 -12.913 -10.955
156 HB3 SER 24 HB3 SER 24 18.277 -12.255 -12.382
157 HG SER 24 HG SER 24 19.080 -14.332 -11.759
158 H SER 25 H SER 25 20.950 -9.941 -10.504
159 HA SER 25 HA SER 25 20.035 -7.763 -12.168
160 HB2 SER 25 HB2 SER 25 22.641 -7.324 -12.211
161 HB3 SER 25 HB3 SER 25 21.722 -7.108 -10.703
162 HG SER 25 HG SER 25 23.652 -8.344 -10.402
163 H ARG 26 H ARG 26 21.011 -10.912 -12.872
164 HA ARG 26 HA ARG 26 22.502 -10.481 -15.282
165 HB2 ARG 26 HB2 ARG 26 22.258 -12.634 -13.904
166 HB3 ARG 26 HB3 ARG 26 20.704 -12.857 -14.732
167 HG2 ARG 26 HG2 ARG 26 21.717 -13.166 -16.816
168 HG3 ARG 26 HG3 ARG 26 23.254 -12.439 -16.279
169 HD2 ARG 26 HD2 ARG 26 23.366 -14.908 -16.507
170 HD3 ARG 26 HD3 ARG 26 23.710 -14.340 -14.856
171 HE ARG 26 HE ARG 26 20.923 -14.966 -15.139
172 HH11 ARG 26 HH11 ARG 26 24.119 -16.439 -14.864
173 HH12 ARG 26 HH12 ARG 26 23.507 -17.922 -14.122
174 HH21 ARG 26 HH21 ARG 26 20.139 -16.881 -14.181
175 HH22 ARG 26 HH22 ARG 26 21.262 -18.172 -13.738
176 H ASP 27 H ASP 27 19.031 -11.105 -14.671
177 HA ASP 27 HA ASP 27 18.517 -10.188 -17.474
178 HB2 ASP 27 HB2 ASP 27 17.577 -12.502 -15.988
179 HB3 ASP 27 HB3 ASP 27 16.210 -11.497 -16.514
180 H LYS 28 H LYS 28 18.427 -9.220 -14.325
181 HA LYS 28 HA LYS 28 17.336 -7.534 -13.215
182 HB2 LYS 28 HB2 LYS 28 16.859 -6.796 -16.098
183 HB3 LYS 28 HB3 LYS 28 16.082 -5.856 -14.808
184 HG2 LYS 28 HG2 LYS 28 18.044 -4.683 -15.257
185 HG3 LYS 28 HG3 LYS 28 18.443 -5.639 -13.810
186 HD2 LYS 28 HD2 LYS 28 19.493 -7.349 -15.271
187 HD3 LYS 28 HD3 LYS 28 19.161 -6.312 -16.680
188 HE2 LYS 28 HE2 LYS 28 20.868 -5.562 -14.285
189 HE3 LYS 28 HE3 LYS 28 21.477 -6.071 -15.880
190 HZ1 LYS 28 HZ1 LYS 28 20.268 -4.130 -16.825
191 HZ2 LYS 28 HZ2 LYS 28 21.525 -3.704 -15.776
192 HZ3 LYS 28 HZ3 LYS 28 19.919 -3.614 -15.250
193 H TRP 29 H TRP 29 16.022 -9.814 -12.950
194 HA TRP 29 HA TRP 29 13.183 -8.927 -13.085
195 HB2 TRP 29 HB2 TRP 29 12.534 -11.303 -13.641
196 HB3 TRP 29 HB3 TRP 29 13.371 -10.436 -14.948
197 HD1 TRP 29 HD1 TRP 29 15.653 -11.687 -12.229
198 HE1 TRP 29 HE1 TRP 29 17.002 -13.744 -13.060
199 HE3 TRP 29 HE3 TRP 29 13.080 -12.571 -16.559
200 HZ2 TRP 29 HZ2 TRP 29 16.928 -15.480 -15.293
201 HZ3 TRP 29 HZ3 TRP 29 13.783 -14.448 -17.985
202 HH2 TRP 29 HH2 TRP 29 15.667 -15.871 -17.365
203 H CYS 30 H CYS 30 11.882 -10.909 -11.877
204 HA CYS 30 HA CYS 30 13.110 -10.878 -9.175
205 HB2 CYS 30 HB2 CYS 30 10.338 -11.074 -10.270
206 HB3 CYS 30 HB3 CYS 30 10.662 -11.934 -8.750
207 H LYS 31 H LYS 31 12.811 -12.818 -7.786
208 HA LYS 31 HA LYS 31 12.828 -15.356 -9.334
209 HB2 LYS 31 HB2 LYS 31 14.948 -14.709 -7.258
210 HB3 LYS 31 HB3 LYS 31 14.864 -16.133 -8.315
211 HG2 LYS 31 HG2 LYS 31 15.222 -13.300 -9.317
212 HG3 LYS 31 HG3 LYS 31 16.561 -14.426 -8.985
213 HD2 LYS 31 HD2 LYS 31 14.452 -15.582 -10.667
214 HD3 LYS 31 HD3 LYS 31 15.234 -14.154 -11.390
215 HE2 LYS 31 HE2 LYS 31 16.738 -15.684 -12.112
216 HE3 LYS 31 HE3 LYS 31 17.411 -15.474 -10.477
217 HZ1 LYS 31 HZ1 LYS 31 15.931 -17.373 -9.803
218 HZ2 LYS 31 HZ2 LYS 31 17.203 -17.783 -10.840
219 HZ3 LYS 31 HZ3 LYS 31 15.629 -17.646 -11.445
220 H VAL 32 H VAL 32 12.316 -17.220 -8.130
221 HA VAL 32 HA VAL 32 11.330 -16.668 -5.363
222 HB VAL 32 HB VAL 32 9.405 -16.676 -6.908
223 HG11 VAL 32 HG11 VAL 32 10.711 -18.432 -8.421
224 HG12 VAL 32 HG12 VAL 32 9.753 -19.590 -7.464
225 HG13 VAL 32 HG13 VAL 32 8.935 -18.329 -8.418
226 HG21 VAL 32 HG21 VAL 32 8.029 -18.108 -5.633
227 HG22 VAL 32 HG22 VAL 32 9.363 -19.242 -5.311
228 HG23 VAL 32 HG23 VAL 32 9.353 -17.641 -4.538
229 H LEU 33 H LEU 33 11.924 -18.107 -3.872
230 HA LEU 33 HA LEU 33 13.730 -20.237 -4.620
231 HB2 LEU 33 HB2 LEU 33 12.356 -19.804 -1.956
232 HB3 LEU 33 HB3 LEU 33 13.850 -20.717 -2.265
233 HG LEU 33 HG LEU 33 13.741 -17.781 -2.896
234 HD11 LEU 33 HD11 LEU 33 12.842 -18.121 -0.579
235 HD12 LEU 33 HD12 LEU 33 14.359 -17.193 -0.660
236 HD13 LEU 33 HD13 LEU 33 14.386 -18.899 -0.158
237 HD21 LEU 33 HD21 LEU 33 15.811 -18.380 -3.522
238 HD22 LEU 33 HD22 LEU 33 15.744 -19.913 -2.620
239 HD23 LEU 33 HD23 LEU 33 16.170 -18.404 -1.779
240 H LEU 34 H LEU 34 13.491 -22.474 -4.409
241 HA LEU 34 HA LEU 34 10.730 -23.376 -4.916
242 HB2 LEU 34 HB2 LEU 34 13.475 -24.544 -5.195
243 HB3 LEU 34 HB3 LEU 34 12.080 -25.642 -5.083
244 HG LEU 34 HG LEU 34 12.794 -25.187 -7.413
245 HD11 LEU 34 HD11 LEU 34 10.671 -25.690 -7.834
246 HD12 LEU 34 HD12 LEU 34 10.280 -23.955 -7.759
247 HD13 LEU 34 HD13 LEU 34 10.150 -24.958 -6.297
248 HD21 LEU 34 HD21 LEU 34 13.565 -22.869 -7.062
249 HD22 LEU 34 HD22 LEU 34 11.877 -22.355 -6.832
250 HD23 LEU 34 HD23 LEU 34 12.405 -22.998 -8.406
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 2.782 2.127 -5.031
2 H2 ALA 1 H2 ALA 1 3.757 1.049 -4.155
3 H3 ALA 1 H3 ALA 1 3.066 0.563 -5.627
4 HA ALA 1 HA ALA 1 1.627 1.251 -3.155
5 HB1 ALA 1 HB1 ALA 1 -0.026 1.727 -4.604
6 HB2 ALA 1 HB2 ALA 1 0.788 0.907 -5.958
7 HB3 ALA 1 HB3 ALA 1 -0.153 -0.040 -4.782
8 H GLU 2 H GLU 2 1.930 -1.362 -5.608
9 HA GLU 2 HA GLU 2 1.902 -3.303 -3.343
10 HB2 GLU 2 HB2 GLU 2 1.297 -4.985 -5.035
11 HB3 GLU 2 HB3 GLU 2 0.162 -3.621 -5.043
12 HG2 GLU 2 HG2 GLU 2 2.483 -3.576 -6.929
13 HG3 GLU 2 HG3 GLU 2 1.100 -4.639 -7.280
14 H CYS 3 H CYS 3 3.404 -4.994 -3.216
15 HA CYS 3 HA CYS 3 6.061 -4.242 -4.087
16 HB2 CYS 3 HB2 CYS 3 6.813 -6.173 -2.873
17 HB3 CYS 3 HB3 CYS 3 5.490 -5.448 -1.937
18 H LYS 4 H LYS 4 7.513 -5.501 -5.375
19 HA LYS 4 HA LYS 4 6.491 -6.191 -7.901
20 HB2 LYS 4 HB2 LYS 4 9.054 -6.428 -6.478
21 HB3 LYS 4 HB3 LYS 4 8.814 -7.697 -7.695
22 HG2 LYS 4 HG2 LYS 4 10.000 -5.754 -8.606
23 HG3 LYS 4 HG3 LYS 4 8.435 -6.018 -9.414
24 HD2 LYS 4 HD2 LYS 4 7.417 -4.233 -8.156
25 HD3 LYS 4 HD3 LYS 4 8.875 -4.050 -7.150
26 HE2 LYS 4 HE2 LYS 4 10.143 -3.460 -9.230
27 HE3 LYS 4 HE3 LYS 4 8.598 -3.476 -10.113
28 HZ1 LYS 4 HZ1 LYS 4 8.960 -1.253 -9.534
29 HZ2 LYS 4 HZ2 LYS 4 9.465 -1.626 -7.963
30 HZ3 LYS 4 HZ3 LYS 4 7.836 -1.793 -8.390
31 H GLY 5 H GLY 5 6.973 -8.439 -8.950
32 HA2 GLY 5 HA2 GLY 5 5.675 -10.469 -7.162
33 HA3 GLY 5 HA3 GLY 5 5.384 -10.349 -8.906
34 H PHE 6 H PHE 6 6.218 -12.031 -9.921
35 HA PHE 6 HA PHE 6 8.911 -12.968 -9.014
36 HB2 PHE 6 HB2 PHE 6 7.312 -14.706 -8.581
37 HB3 PHE 6 HB3 PHE 6 6.571 -14.511 -10.184
38 HD1 PHE 6 HD1 PHE 6 10.106 -14.920 -9.030
39 HD2 PHE 6 HD2 PHE 6 6.923 -16.394 -11.438
40 HE1 PHE 6 HE1 PHE 6 11.595 -16.664 -9.925
41 HE2 PHE 6 HE2 PHE 6 8.404 -18.141 -12.336
42 HZ PHE 6 HZ PHE 6 10.744 -18.276 -11.581
43 H TRP 7 H TRP 7 6.808 -12.160 -11.727
44 HA TRP 7 HA TRP 7 9.121 -12.548 -13.573
45 HB2 TRP 7 HB2 TRP 7 6.713 -13.565 -13.939
46 HB3 TRP 7 HB3 TRP 7 6.326 -11.927 -14.510
47 HD1 TRP 7 HD1 TRP 7 8.807 -14.804 -15.313
48 HE1 TRP 7 HE1 TRP 7 9.399 -14.708 -17.839
49 HE3 TRP 7 HE3 TRP 7 6.273 -10.529 -16.514
50 HZ2 TRP 7 HZ2 TRP 7 8.825 -12.995 -20.016
51 HZ3 TRP 7 HZ3 TRP 7 6.344 -9.729 -18.840
52 HH2 TRP 7 HH2 TRP 7 7.595 -10.937 -20.553
53 H LYS 8 H LYS 8 7.907 -10.214 -11.674
54 HA LYS 8 HA LYS 8 7.607 -8.001 -13.485
55 HB2 LYS 8 HB2 LYS 8 8.163 -8.250 -10.523
56 HB3 LYS 8 HB3 LYS 8 8.154 -6.665 -11.323
57 HG2 LYS 8 HG2 LYS 8 5.851 -8.633 -11.339
58 HG3 LYS 8 HG3 LYS 8 6.001 -7.233 -10.249
59 HD2 LYS 8 HD2 LYS 8 6.203 -5.805 -12.354
60 HD3 LYS 8 HD3 LYS 8 5.676 -7.246 -13.256
61 HE2 LYS 8 HE2 LYS 8 3.568 -7.269 -12.211
62 HE3 LYS 8 HE3 LYS 8 4.106 -6.185 -10.907
63 HZ1 LYS 8 HZ1 LYS 8 3.654 -5.462 -13.758
64 HZ2 LYS 8 HZ2 LYS 8 4.340 -4.421 -12.613
65 HZ3 LYS 8 HZ3 LYS 8 2.747 -4.958 -12.422
66 H SER 9 H SER 9 9.107 -5.977 -13.071
67 HA SER 9 HA SER 9 11.879 -6.942 -13.629
68 HB2 SER 9 HB2 SER 9 12.174 -4.776 -14.833
69 HB3 SER 9 HB3 SER 9 10.865 -5.768 -15.519
70 HG SER 9 HG SER 9 10.251 -3.866 -13.516
71 H CYS 10 H CYS 10 13.287 -6.672 -12.053
72 HA CYS 10 HA CYS 10 13.066 -4.190 -10.406
73 HB2 CYS 10 HB2 CYS 10 13.506 -5.394 -8.378
74 HB3 CYS 10 HB3 CYS 10 12.163 -6.221 -9.194
75 H VAL 11 H VAL 11 15.097 -3.688 -9.214
76 HA VAL 11 HA VAL 11 17.440 -4.518 -10.881
77 HB VAL 11 HB VAL 11 18.448 -2.318 -10.005
78 HG11 VAL 11 HG11 VAL 11 16.142 -1.625 -11.745
79 HG12 VAL 11 HG12 VAL 11 17.885 -1.339 -11.974
80 HG13 VAL 11 HG13 VAL 11 17.194 -2.946 -12.306
81 HG21 VAL 11 HG21 VAL 11 16.691 -2.000 -8.250
82 HG22 VAL 11 HG22 VAL 11 16.930 -0.589 -9.305
83 HG23 VAL 11 HG23 VAL 11 15.525 -1.652 -9.550
84 HA PRO 12 HA PRO 12 19.462 -6.126 -7.320
85 HB2 PRO 12 HB2 PRO 12 22.060 -5.477 -7.841
86 HB3 PRO 12 HB3 PRO 12 21.178 -6.747 -8.728
87 HG2 PRO 12 HG2 PRO 12 21.733 -3.896 -9.520
88 HG3 PRO 12 HG3 PRO 12 21.834 -5.386 -10.507
89 HD2 PRO 12 HD2 PRO 12 19.713 -3.685 -10.626
90 HD3 PRO 12 HD3 PRO 12 19.551 -5.454 -10.869
91 H GLY 13 H GLY 13 19.995 -5.551 -5.276
92 HA2 GLY 13 HA2 GLY 13 20.968 -4.131 -3.626
93 HA3 GLY 13 HA3 GLY 13 21.052 -2.816 -4.813
94 H LYS 14 H LYS 14 18.146 -3.581 -5.542
95 HA LYS 14 HA LYS 14 16.968 -1.821 -3.465
96 HB2 LYS 14 HB2 LYS 14 16.098 -2.674 -6.238
97 HB3 LYS 14 HB3 LYS 14 14.995 -1.845 -5.123
98 HG2 LYS 14 HG2 LYS 14 16.967 -0.107 -4.962
99 HG3 LYS 14 HG3 LYS 14 17.427 -0.817 -6.529
100 HD2 LYS 14 HD2 LYS 14 15.053 -0.401 -7.292
101 HD3 LYS 14 HD3 LYS 14 14.813 0.528 -5.791
102 HE2 LYS 14 HE2 LYS 14 16.460 2.131 -6.415
103 HE3 LYS 14 HE3 LYS 14 17.037 1.115 -7.758
104 HZ1 LYS 14 HZ1 LYS 14 14.539 1.400 -8.507
105 HZ2 LYS 14 HZ2 LYS 14 15.715 2.553 -8.893
106 HZ3 LYS 14 HZ3 LYS 14 14.659 2.822 -7.597
107 H ASN 15 H ASN 15 16.437 -4.969 -5.066
108 HA ASN 15 HA ASN 15 15.155 -6.775 -4.450
109 HB2 ASN 15 HB2 ASN 15 16.821 -6.514 -2.492
110 HB3 ASN 15 HB3 ASN 15 15.446 -5.856 -1.578
111 HD21 ASN 15 HD21 ASN 15 15.336 -7.485 -0.103
112 HD22 ASN 15 HD22 ASN 15 14.829 -9.155 -0.540
113 H GLU 16 H GLU 16 13.550 -4.890 -5.373
114 HA GLU 16 HA GLU 16 11.559 -3.961 -3.519
115 HB2 GLU 16 HB2 GLU 16 11.516 -4.355 -6.530
116 HB3 GLU 16 HB3 GLU 16 10.188 -3.610 -5.622
117 HG2 GLU 16 HG2 GLU 16 13.028 -2.578 -5.573
118 HG3 GLU 16 HG3 GLU 16 11.790 -2.015 -6.719
119 H CYS 17 H CYS 17 12.084 -6.974 -5.192
120 HA CYS 17 HA CYS 17 9.497 -8.036 -5.305
121 HB2 CYS 17 HB2 CYS 17 12.038 -9.517 -4.519
122 HB3 CYS 17 HB3 CYS 17 10.556 -10.246 -5.174
123 H CYS 18 H CYS 18 8.379 -9.562 -3.934
124 HA CYS 18 HA CYS 18 8.127 -8.581 -1.253
125 HB2 CYS 18 HB2 CYS 18 7.133 -11.222 -2.392
126 HB3 CYS 18 HB3 CYS 18 6.521 -10.393 -0.946
127 H SER 19 H SER 19 8.310 -9.880 0.730
128 HA SER 19 HA SER 19 10.943 -10.745 1.168
129 HB2 SER 19 HB2 SER 19 9.260 -10.107 2.928
130 HB3 SER 19 HB3 SER 19 8.490 -11.696 2.701
131 HG SER 19 HG SER 19 10.005 -11.680 4.449
132 H GLY 20 H GLY 20 12.069 -12.562 0.866
133 HA2 GLY 20 HA2 GLY 20 12.211 -14.984 0.831
134 HA3 GLY 20 HA3 GLY 20 10.527 -15.054 0.276
135 H TYR 21 H TYR 21 11.215 -12.731 -1.609
136 HA TYR 21 HA TYR 21 12.207 -14.517 -3.763
137 HB2 TYR 21 HB2 TYR 21 10.830 -11.807 -3.821
138 HB3 TYR 21 HB3 TYR 21 11.405 -12.661 -5.269
139 HD1 TYR 21 HD2 TYR 21 9.206 -13.188 -2.288
140 HD2 TYR 21 HD1 TYR 21 9.945 -14.069 -6.383
141 HE1 TYR 21 HE2 TYR 21 7.078 -14.418 -2.401
142 HE2 TYR 21 HE1 TYR 21 7.820 -15.301 -6.508
143 HH TYR 21 HH TYR 21 5.739 -15.684 -3.631
144 H ALA 22 H ALA 22 13.916 -14.005 -5.122
145 HA ALA 22 HA ALA 22 15.759 -11.939 -3.990
146 HB1 ALA 22 HB1 ALA 22 17.421 -13.415 -4.149
147 HB2 ALA 22 HB2 ALA 22 16.186 -14.651 -4.488
148 HB3 ALA 22 HB3 ALA 22 17.001 -13.814 -5.831
149 H CYS 23 H CYS 23 17.299 -10.985 -5.617
150 HA CYS 23 HA CYS 23 15.795 -10.427 -8.143
151 HB2 CYS 23 HB2 CYS 23 17.131 -8.664 -6.172
152 HB3 CYS 23 HB3 CYS 23 17.500 -8.295 -7.870
153 H SER 24 H SER 24 16.800 -10.652 -10.055
154 HA SER 24 HA SER 24 19.674 -11.475 -9.927
155 HB2 SER 24 HB2 SER 24 17.433 -12.820 -11.008
156 HB3 SER 24 HB3 SER 24 18.358 -12.218 -12.405
157 HG SER 24 HG SER 24 19.263 -14.163 -11.907
158 H SER 25 H SER 25 20.962 -9.875 -10.532
159 HA SER 25 HA SER 25 20.051 -7.709 -12.215
160 HB2 SER 25 HB2 SER 25 21.794 -7.392 -10.503
161 HB3 SER 25 HB3 SER 25 22.869 -8.508 -11.378
162 HG SER 25 HG SER 25 22.324 -6.865 -13.219
163 H ARG 26 H ARG 26 21.025 -10.863 -12.892
164 HA ARG 26 HA ARG 26 22.521 -10.450 -15.303
165 HB2 ARG 26 HB2 ARG 26 22.323 -12.591 -13.939
166 HB3 ARG 26 HB3 ARG 26 20.728 -12.818 -14.682
167 HG2 ARG 26 HG2 ARG 26 21.714 -13.844 -16.381
168 HG3 ARG 26 HG3 ARG 26 22.517 -12.310 -16.801
169 HD2 ARG 26 HD2 ARG 26 24.112 -14.183 -16.520
170 HD3 ARG 26 HD3 ARG 26 24.396 -12.856 -15.369
171 HE ARG 26 HE ARG 26 22.678 -14.959 -14.313
172 HH11 ARG 26 HH11 ARG 26 26.003 -13.897 -14.852
173 HH12 ARG 26 HH12 ARG 26 26.657 -14.872 -13.531
174 HH21 ARG 26 HH21 ARG 26 23.529 -16.214 -12.610
175 HH22 ARG 26 HH22 ARG 26 25.263 -16.180 -12.268
176 H ASP 27 H ASP 27 19.049 -11.072 -14.693
177 HA ASP 27 HA ASP 27 18.539 -10.176 -17.503
178 HB2 ASP 27 HB2 ASP 27 17.601 -12.483 -16.004
179 HB3 ASP 27 HB3 ASP 27 16.231 -11.482 -16.536
180 H LYS 28 H LYS 28 18.444 -9.185 -14.363
181 HA LYS 28 HA LYS 28 17.350 -7.491 -13.267
182 HB2 LYS 28 HB2 LYS 28 16.877 -6.779 -16.156
183 HB3 LYS 28 HB3 LYS 28 16.089 -5.831 -14.878
184 HG2 LYS 28 HG2 LYS 28 18.049 -4.656 -15.337
185 HG3 LYS 28 HG3 LYS 28 18.439 -5.586 -13.868
186 HD2 LYS 28 HD2 LYS 28 19.508 -7.315 -15.296
187 HD3 LYS 28 HD3 LYS 28 19.190 -6.297 -16.722
188 HE2 LYS 28 HE2 LYS 28 20.872 -5.521 -14.318
189 HE3 LYS 28 HE3 LYS 28 21.495 -6.036 -15.904
190 HZ1 LYS 28 HZ1 LYS 28 19.920 -3.584 -15.303
191 HZ2 LYS 28 HZ2 LYS 28 20.285 -4.106 -16.869
192 HZ3 LYS 28 HZ3 LYS 28 21.531 -3.667 -15.812
193 H TRP 29 H TRP 29 16.040 -9.773 -12.985
194 HA TRP 29 HA TRP 29 13.200 -8.893 -13.126
195 HB2 TRP 29 HB2 TRP 29 12.555 -11.274 -13.665
196 HB3 TRP 29 HB3 TRP 29 13.390 -10.415 -14.977
197 HD1 TRP 29 HD1 TRP 29 15.675 -11.642 -12.251
198 HE1 TRP 29 HE1 TRP 29 17.028 -13.702 -13.067
199 HE3 TRP 29 HE3 TRP 29 13.103 -12.563 -16.573
200 HZ2 TRP 29 HZ2 TRP 29 16.955 -15.454 -15.286
201 HZ3 TRP 29 HZ3 TRP 29 13.808 -14.448 -17.986
202 HH2 TRP 29 HH2 TRP 29 15.695 -15.864 -17.355
203 H CYS 30 H CYS 30 11.903 -10.868 -11.903
204 HA CYS 30 HA CYS 30 13.119 -10.803 -9.199
205 HB2 CYS 30 HB2 CYS 30 10.356 -11.071 -10.308
206 HB3 CYS 30 HB3 CYS 30 10.692 -11.889 -8.767
207 H LYS 31 H LYS 31 12.829 -12.738 -7.793
208 HA LYS 31 HA LYS 31 12.898 -15.290 -9.313
209 HB2 LYS 31 HB2 LYS 31 15.020 -14.533 -7.272
210 HB3 LYS 31 HB3 LYS 31 14.938 -16.027 -8.226
211 HG2 LYS 31 HG2 LYS 31 15.292 -13.257 -9.397
212 HG3 LYS 31 HG3 LYS 31 16.618 -14.394 -9.049
213 HD2 LYS 31 HD2 LYS 31 14.445 -15.589 -10.616
214 HD3 LYS 31 HD3 LYS 31 15.224 -14.206 -11.426
215 HE2 LYS 31 HE2 LYS 31 17.287 -15.249 -11.518
216 HE3 LYS 31 HE3 LYS 31 16.926 -16.317 -10.140
217 HZ1 LYS 31 HZ1 LYS 31 16.609 -16.824 -12.898
218 HZ2 LYS 31 HZ2 LYS 31 15.093 -16.909 -12.155
219 HZ3 LYS 31 HZ3 LYS 31 16.365 -17.874 -11.595
220 H VAL 32 H VAL 32 12.417 -17.149 -8.088
221 HA VAL 32 HA VAL 32 11.425 -16.583 -5.326
222 HB VAL 32 HB VAL 32 9.496 -16.628 -6.859
223 HG11 VAL 32 HG11 VAL 32 9.570 -19.484 -7.441
224 HG12 VAL 32 HG12 VAL 32 9.253 -18.104 -8.521
225 HG13 VAL 32 HG13 VAL 32 10.928 -18.610 -8.187
226 HG21 VAL 32 HG21 VAL 32 9.507 -19.191 -5.253
227 HG22 VAL 32 HG22 VAL 32 9.457 -17.584 -4.489
228 HG23 VAL 32 HG23 VAL 32 8.146 -18.090 -5.581
229 H LEU 33 H LEU 33 12.052 -17.995 -3.824
230 HA LEU 33 HA LEU 33 13.856 -20.135 -4.585
231 HB2 LEU 33 HB2 LEU 33 12.582 -19.520 -1.902
232 HB3 LEU 33 HB3 LEU 33 13.971 -20.594 -2.185
233 HG LEU 33 HG LEU 33 14.172 -17.725 -3.023
234 HD11 LEU 33 HD11 LEU 33 14.499 -18.712 -0.174
235 HD12 LEU 33 HD12 LEU 33 13.232 -17.609 -0.766
236 HD13 LEU 33 HD13 LEU 33 14.936 -17.097 -0.783
237 HD21 LEU 33 HD21 LEU 33 15.934 -20.023 -2.460
238 HD22 LEU 33 HD22 LEU 33 16.506 -18.462 -1.824
239 HD23 LEU 33 HD23 LEU 33 16.157 -18.643 -3.560
240 H LEU 34 H LEU 34 13.600 -22.342 -4.465
241 HA LEU 34 HA LEU 34 10.985 -23.339 -5.068
242 HB2 LEU 34 HB2 LEU 34 11.989 -25.424 -5.295
243 HB3 LEU 34 HB3 LEU 34 13.306 -24.287 -5.663
244 HG LEU 34 HG LEU 34 12.920 -25.711 -3.012
245 HD11 LEU 34 HD11 LEU 34 13.825 -26.770 -5.432
246 HD12 LEU 34 HD12 LEU 34 14.082 -27.440 -3.803
247 HD13 LEU 34 HD13 LEU 34 15.306 -26.370 -4.528
248 HD21 LEU 34 HD21 LEU 34 14.046 -23.559 -2.785
249 HD22 LEU 34 HD22 LEU 34 15.182 -23.997 -4.083
250 HD23 LEU 34 HD23 LEU 34 15.196 -24.897 -2.548
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 0.132 1.515 -5.102
2 H2 ALA 1 H2 ALA 1 0.920 0.256 -5.925
3 H3 ALA 1 H3 ALA 1 -0.108 -0.094 -4.620
4 HA ALA 1 HA ALA 1 2.543 1.141 -4.621
5 HB1 ALA 1 HB1 ALA 1 0.695 2.394 -3.260
6 HB2 ALA 1 HB2 ALA 1 0.856 1.021 -2.138
7 HB3 ALA 1 HB3 ALA 1 2.268 2.041 -2.507
8 H GLU 2 H GLU 2 1.360 -1.549 -5.239
9 HA GLU 2 HA GLU 2 2.055 -3.180 -2.906
10 HB2 GLU 2 HB2 GLU 2 0.304 -3.623 -4.838
11 HB3 GLU 2 HB3 GLU 2 1.711 -4.307 -5.675
12 HG2 GLU 2 HG2 GLU 2 1.885 -6.078 -4.245
13 HG3 GLU 2 HG3 GLU 2 1.185 -5.185 -2.875
14 H CYS 3 H CYS 3 3.555 -5.103 -3.250
15 HA CYS 3 HA CYS 3 6.132 -3.998 -4.168
16 HB2 CYS 3 HB2 CYS 3 7.100 -6.001 -3.085
17 HB3 CYS 3 HB3 CYS 3 6.031 -5.105 -1.983
18 H LYS 4 H LYS 4 7.666 -5.518 -5.307
19 HA LYS 4 HA LYS 4 6.575 -6.188 -7.847
20 HB2 LYS 4 HB2 LYS 4 9.174 -6.432 -6.465
21 HB3 LYS 4 HB3 LYS 4 8.896 -7.673 -7.703
22 HG2 LYS 4 HG2 LYS 4 10.078 -5.706 -8.587
23 HG3 LYS 4 HG3 LYS 4 8.505 -5.963 -9.380
24 HD2 LYS 4 HD2 LYS 4 7.493 -4.215 -8.044
25 HD3 LYS 4 HD3 LYS 4 8.993 -4.020 -7.103
26 HE2 LYS 4 HE2 LYS 4 10.171 -3.327 -9.157
27 HE3 LYS 4 HE3 LYS 4 8.652 -3.492 -10.071
28 HZ1 LYS 4 HZ1 LYS 4 8.991 -1.666 -7.747
29 HZ2 LYS 4 HZ2 LYS 4 7.682 -1.734 -8.815
30 HZ3 LYS 4 HZ3 LYS 4 9.188 -1.184 -9.356
31 H GLY 5 H GLY 5 7.042 -8.462 -8.849
32 HA2 GLY 5 HA2 GLY 5 5.817 -10.458 -6.971
33 HA3 GLY 5 HA3 GLY 5 5.436 -10.366 -8.701
34 H PHE 6 H PHE 6 6.235 -12.044 -9.750
35 HA PHE 6 HA PHE 6 8.951 -12.998 -8.933
36 HB2 PHE 6 HB2 PHE 6 7.343 -14.729 -8.494
37 HB3 PHE 6 HB3 PHE 6 6.574 -14.504 -10.081
38 HD1 PHE 6 HD1 PHE 6 10.152 -14.894 -9.072
39 HD2 PHE 6 HD2 PHE 6 6.864 -16.433 -11.294
40 HE1 PHE 6 HE1 PHE 6 11.611 -16.635 -10.019
41 HE2 PHE 6 HE2 PHE 6 8.316 -18.177 -12.244
42 HZ PHE 6 HZ PHE 6 10.693 -18.280 -11.606
43 H TRP 7 H TRP 7 6.760 -12.275 -11.628
44 HA TRP 7 HA TRP 7 9.040 -12.606 -13.512
45 HB2 TRP 7 HB2 TRP 7 6.618 -13.596 -13.835
46 HB3 TRP 7 HB3 TRP 7 6.230 -11.947 -14.374
47 HD1 TRP 7 HD1 TRP 7 8.570 -14.891 -15.301
48 HE1 TRP 7 HE1 TRP 7 9.135 -14.744 -17.831
49 HE3 TRP 7 HE3 TRP 7 6.271 -10.440 -16.324
50 HZ2 TRP 7 HZ2 TRP 7 8.634 -12.928 -19.941
51 HZ3 TRP 7 HZ3 TRP 7 6.360 -9.568 -18.623
52 HH2 TRP 7 HH2 TRP 7 7.518 -10.787 -20.394
53 H LYS 8 H LYS 8 7.896 -10.276 -11.564
54 HA LYS 8 HA LYS 8 7.598 -8.047 -13.362
55 HB2 LYS 8 HB2 LYS 8 8.152 -8.324 -10.402
56 HB3 LYS 8 HB3 LYS 8 8.156 -6.733 -11.190
57 HG2 LYS 8 HG2 LYS 8 5.838 -8.682 -11.185
58 HG3 LYS 8 HG3 LYS 8 6.001 -7.256 -10.132
59 HD2 LYS 8 HD2 LYS 8 6.159 -5.852 -12.222
60 HD3 LYS 8 HD3 LYS 8 5.738 -7.311 -13.151
61 HE2 LYS 8 HE2 LYS 8 3.649 -6.419 -12.881
62 HE3 LYS 8 HE3 LYS 8 3.740 -7.408 -11.404
63 HZ1 LYS 8 HZ1 LYS 8 3.067 -5.413 -10.554
64 HZ2 LYS 8 HZ2 LYS 8 3.888 -4.488 -11.706
65 HZ3 LYS 8 HZ3 LYS 8 4.742 -5.206 -10.434
66 H SER 9 H SER 9 9.112 -6.041 -12.954
67 HA SER 9 HA SER 9 11.879 -7.029 -13.504
68 HB2 SER 9 HB2 SER 9 12.119 -4.695 -14.582
69 HB3 SER 9 HB3 SER 9 11.101 -5.883 -15.429
70 HG SER 9 HG SER 9 9.929 -4.124 -13.544
71 H CYS 10 H CYS 10 13.437 -6.590 -12.107
72 HA CYS 10 HA CYS 10 13.158 -4.175 -10.393
73 HB2 CYS 10 HB2 CYS 10 13.643 -5.366 -8.374
74 HB3 CYS 10 HB3 CYS 10 12.314 -6.234 -9.172
75 H VAL 11 H VAL 11 15.209 -3.663 -9.221
76 HA VAL 11 HA VAL 11 17.529 -4.441 -10.946
77 HB VAL 11 HB VAL 11 18.523 -2.232 -10.077
78 HG11 VAL 11 HG11 VAL 11 18.106 -1.867 -12.246
79 HG12 VAL 11 HG12 VAL 11 16.562 -2.754 -12.187
80 HG13 VAL 11 HG13 VAL 11 16.625 -1.042 -11.703
81 HG21 VAL 11 HG21 VAL 11 17.139 -0.596 -9.158
82 HG22 VAL 11 HG22 VAL 11 15.649 -1.423 -9.674
83 HG23 VAL 11 HG23 VAL 11 16.609 -2.079 -8.327
84 HA PRO 12 HA PRO 12 19.643 -6.046 -7.441
85 HB2 PRO 12 HB2 PRO 12 22.221 -5.361 -8.011
86 HB3 PRO 12 HB3 PRO 12 21.337 -6.638 -8.888
87 HG2 PRO 12 HG2 PRO 12 21.840 -3.774 -9.673
88 HG3 PRO 12 HG3 PRO 12 21.937 -5.256 -10.671
89 HD2 PRO 12 HD2 PRO 12 19.793 -3.583 -10.734
90 HD3 PRO 12 HD3 PRO 12 19.648 -5.350 -10.985
91 H GLY 13 H GLY 13 19.735 -5.345 -5.411
92 HA2 GLY 13 HA2 GLY 13 20.872 -3.968 -3.750
93 HA3 GLY 13 HA3 GLY 13 20.952 -2.652 -4.938
94 H LYS 14 H LYS 14 18.060 -3.440 -5.690
95 HA LYS 14 HA LYS 14 16.851 -1.650 -3.665
96 HB2 LYS 14 HB2 LYS 14 16.004 -2.647 -6.393
97 HB3 LYS 14 HB3 LYS 14 14.852 -1.848 -5.306
98 HG2 LYS 14 HG2 LYS 14 16.813 -0.035 -5.211
99 HG3 LYS 14 HG3 LYS 14 17.155 -0.727 -6.815
100 HD2 LYS 14 HD2 LYS 14 14.799 -0.324 -7.461
101 HD3 LYS 14 HD3 LYS 14 14.512 0.427 -5.872
102 HE2 LYS 14 HE2 LYS 14 16.146 2.159 -6.361
103 HE3 LYS 14 HE3 LYS 14 16.547 1.380 -7.910
104 HZ1 LYS 14 HZ1 LYS 14 14.437 3.189 -7.302
105 HZ2 LYS 14 HZ2 LYS 14 13.810 1.751 -7.934
106 HZ3 LYS 14 HZ3 LYS 14 14.963 2.626 -8.809
107 H ASN 15 H ASN 15 16.319 -4.869 -5.136
108 HA ASN 15 HA ASN 15 15.155 -6.694 -4.374
109 HB2 ASN 15 HB2 ASN 15 16.744 -6.088 -2.356
110 HB3 ASN 15 HB3 ASN 15 15.224 -5.634 -1.553
111 HD21 ASN 15 HD21 ASN 15 15.931 -7.358 -0.078
112 HD22 ASN 15 HD22 ASN 15 15.454 -9.043 -0.484
113 H GLU 16 H GLU 16 13.564 -4.730 -5.406
114 HA GLU 16 HA GLU 16 11.467 -3.859 -3.679
115 HB2 GLU 16 HB2 GLU 16 11.255 -4.459 -6.649
116 HB3 GLU 16 HB3 GLU 16 10.236 -3.357 -5.701
117 HG2 GLU 16 HG2 GLU 16 13.205 -2.995 -6.167
118 HG3 GLU 16 HG3 GLU 16 11.919 -2.203 -7.108
119 H CYS 17 H CYS 17 12.166 -6.924 -5.150
120 HA CYS 17 HA CYS 17 9.629 -8.081 -5.370
121 HB2 CYS 17 HB2 CYS 17 12.215 -9.353 -4.392
122 HB3 CYS 17 HB3 CYS 17 10.775 -10.253 -4.917
123 H CYS 18 H CYS 18 8.606 -9.728 -3.953
124 HA CYS 18 HA CYS 18 8.165 -8.547 -1.329
125 HB2 CYS 18 HB2 CYS 18 7.095 -11.062 -2.661
126 HB3 CYS 18 HB3 CYS 18 6.579 -10.494 -1.060
127 H SER 19 H SER 19 7.965 -10.147 0.598
128 HA SER 19 HA SER 19 10.621 -10.988 1.231
129 HB2 SER 19 HB2 SER 19 8.944 -10.288 2.923
130 HB3 SER 19 HB3 SER 19 8.004 -11.762 2.582
131 HG SER 19 HG SER 19 9.387 -11.991 4.422
132 H GLY 20 H GLY 20 11.706 -12.770 0.751
133 HA2 GLY 20 HA2 GLY 20 11.844 -15.189 0.711
134 HA3 GLY 20 HA3 GLY 20 10.130 -15.262 0.259
135 H TYR 21 H TYR 21 11.784 -12.801 -1.396
136 HA TYR 21 HA TYR 21 12.274 -14.639 -3.702
137 HB2 TYR 21 HB2 TYR 21 10.914 -11.921 -3.714
138 HB3 TYR 21 HB3 TYR 21 11.485 -12.747 -5.180
139 HD1 TYR 21 HD2 TYR 21 9.308 -13.358 -2.195
140 HD2 TYR 21 HD1 TYR 21 10.003 -14.104 -6.325
141 HE1 TYR 21 HE2 TYR 21 7.178 -14.581 -2.327
142 HE2 TYR 21 HE1 TYR 21 7.876 -15.328 -6.469
143 HH TYR 21 HH TYR 21 5.892 -15.921 -3.579
144 H ALA 22 H ALA 22 13.961 -14.110 -5.096
145 HA ALA 22 HA ALA 22 15.849 -12.095 -3.950
146 HB1 ALA 22 HB1 ALA 22 16.801 -14.166 -5.871
147 HB2 ALA 22 HB2 ALA 22 17.607 -13.460 -4.449
148 HB3 ALA 22 HB3 ALA 22 16.348 -14.703 -4.236
149 H CYS 23 H CYS 23 17.361 -11.104 -5.573
150 HA CYS 23 HA CYS 23 15.825 -10.482 -8.066
151 HB2 CYS 23 HB2 CYS 23 17.134 -8.772 -6.053
152 HB3 CYS 23 HB3 CYS 23 17.590 -8.378 -7.723
153 H SER 24 H SER 24 16.810 -10.650 -9.997
154 HA SER 24 HA SER 24 19.699 -11.434 -9.930
155 HB2 SER 24 HB2 SER 24 17.487 -12.888 -10.901
156 HB3 SER 24 HB3 SER 24 18.303 -12.257 -12.351
157 HG SER 24 HG SER 24 19.153 -14.296 -11.662
158 H SER 25 H SER 25 20.947 -9.854 -10.645
159 HA SER 25 HA SER 25 19.923 -7.713 -12.294
160 HB2 SER 25 HB2 SER 25 21.765 -7.389 -10.672
161 HB3 SER 25 HB3 SER 25 22.799 -8.472 -11.635
162 HG SER 25 HG SER 25 23.255 -6.338 -12.194
163 H ARG 26 H ARG 26 21.313 -10.821 -12.926
164 HA ARG 26 HA ARG 26 22.541 -10.446 -15.413
165 HB2 ARG 26 HB2 ARG 26 22.159 -12.589 -13.925
166 HB3 ARG 26 HB3 ARG 26 20.743 -12.821 -14.970
167 HG2 ARG 26 HG2 ARG 26 22.383 -14.072 -16.024
168 HG3 ARG 26 HG3 ARG 26 22.422 -12.535 -16.922
169 HD2 ARG 26 HD2 ARG 26 24.397 -11.831 -15.849
170 HD3 ARG 26 HD3 ARG 26 24.229 -13.044 -14.559
171 HE ARG 26 HE ARG 26 24.463 -14.434 -17.009
172 HH11 ARG 26 HH11 ARG 26 26.360 -12.291 -14.942
173 HH12 ARG 26 HH12 ARG 26 27.909 -12.983 -15.440
174 HH21 ARG 26 HH21 ARG 26 26.463 -15.322 -17.645
175 HH22 ARG 26 HH22 ARG 26 27.967 -14.691 -16.965
176 H ASP 27 H ASP 27 19.081 -11.043 -14.716
177 HA ASP 27 HA ASP 27 18.509 -10.144 -17.513
178 HB2 ASP 27 HB2 ASP 27 17.583 -12.439 -15.981
179 HB3 ASP 27 HB3 ASP 27 16.216 -11.433 -16.509
180 H LYS 28 H LYS 28 18.494 -9.154 -14.371
181 HA LYS 28 HA LYS 28 17.430 -7.462 -13.243
182 HB2 LYS 28 HB2 LYS 28 16.821 -6.715 -16.110
183 HB3 LYS 28 HB3 LYS 28 16.222 -5.735 -14.759
184 HG2 LYS 28 HG2 LYS 28 18.766 -5.833 -14.021
185 HG3 LYS 28 HG3 LYS 28 19.006 -6.121 -15.762
186 HD2 LYS 28 HD2 LYS 28 17.497 -3.789 -14.536
187 HD3 LYS 28 HD3 LYS 28 19.147 -3.728 -15.202
188 HE2 LYS 28 HE2 LYS 28 17.905 -4.764 -17.326
189 HE3 LYS 28 HE3 LYS 28 16.515 -3.928 -16.596
190 HZ1 LYS 28 HZ1 LYS 28 18.023 -2.682 -18.268
191 HZ2 LYS 28 HZ2 LYS 28 19.070 -2.495 -16.954
192 HZ3 LYS 28 HZ3 LYS 28 17.498 -1.876 -16.876
193 H TRP 29 H TRP 29 16.101 -9.740 -12.972
194 HA TRP 29 HA TRP 29 13.269 -8.823 -13.044
195 HB2 TRP 29 HB2 TRP 29 12.578 -11.180 -13.619
196 HB3 TRP 29 HB3 TRP 29 13.416 -10.317 -14.928
197 HD1 TRP 29 HD1 TRP 29 15.738 -11.597 -12.273
198 HE1 TRP 29 HE1 TRP 29 17.031 -13.683 -13.127
199 HE3 TRP 29 HE3 TRP 29 13.024 -12.476 -16.516
200 HZ2 TRP 29 HZ2 TRP 29 16.861 -15.434 -15.340
201 HZ3 TRP 29 HZ3 TRP 29 13.654 -14.376 -17.947
202 HH2 TRP 29 HH2 TRP 29 15.533 -15.824 -17.370
203 H CYS 30 H CYS 30 11.971 -10.807 -11.833
204 HA CYS 30 HA CYS 30 13.233 -10.799 -9.150
205 HB2 CYS 30 HB2 CYS 30 10.445 -11.075 -10.214
206 HB3 CYS 30 HB3 CYS 30 10.821 -11.858 -8.664
207 H LYS 31 H LYS 31 12.840 -12.779 -7.768
208 HA LYS 31 HA LYS 31 12.913 -15.296 -9.336
209 HB2 LYS 31 HB2 LYS 31 15.055 -14.625 -7.289
210 HB3 LYS 31 HB3 LYS 31 14.960 -16.070 -8.315
211 HG2 LYS 31 HG2 LYS 31 15.274 -13.266 -9.405
212 HG3 LYS 31 HG3 LYS 31 16.639 -14.345 -9.028
213 HD2 LYS 31 HD2 LYS 31 14.552 -15.605 -10.669
214 HD3 LYS 31 HD3 LYS 31 15.324 -14.199 -11.445
215 HE2 LYS 31 HE2 LYS 31 16.869 -15.714 -12.087
216 HE3 LYS 31 HE3 LYS 31 17.500 -15.477 -10.440
217 HZ1 LYS 31 HZ1 LYS 31 15.952 -17.727 -11.537
218 HZ2 LYS 31 HZ2 LYS 31 15.801 -17.362 -9.892
219 HZ3 LYS 31 HZ3 LYS 31 17.317 -17.743 -10.538
220 H VAL 32 H VAL 32 12.414 -17.168 -8.144
221 HA VAL 32 HA VAL 32 11.454 -16.640 -5.363
222 HB VAL 32 HB VAL 32 9.520 -16.654 -6.904
223 HG11 VAL 32 HG11 VAL 32 9.608 -19.528 -7.461
224 HG12 VAL 32 HG12 VAL 32 9.219 -18.162 -8.535
225 HG13 VAL 32 HG13 VAL 32 10.917 -18.620 -8.255
226 HG21 VAL 32 HG21 VAL 32 8.184 -18.308 -5.703
227 HG22 VAL 32 HG22 VAL 32 9.666 -19.117 -5.136
228 HG23 VAL 32 HG23 VAL 32 9.288 -17.465 -4.589
229 H LEU 33 H LEU 33 12.033 -18.103 -3.882
230 HA LEU 33 HA LEU 33 13.865 -20.206 -4.655
231 HB2 LEU 33 HB2 LEU 33 12.494 -19.684 -2.001
232 HB3 LEU 33 HB3 LEU 33 13.884 -20.761 -2.266
233 HG LEU 33 HG LEU 33 14.122 -17.858 -2.987
234 HD11 LEU 33 HD11 LEU 33 14.891 -17.386 -0.683
235 HD12 LEU 33 HD12 LEU 33 14.322 -18.997 -0.186
236 HD13 LEU 33 HD13 LEU 33 13.156 -17.782 -0.764
237 HD21 LEU 33 HD21 LEU 33 15.966 -19.208 -3.616
238 HD22 LEU 33 HD22 LEU 33 15.976 -20.056 -2.052
239 HD23 LEU 33 HD23 LEU 33 16.463 -18.346 -2.140
240 H LEU 34 H LEU 34 13.562 -22.332 -4.952
241 HA LEU 34 HA LEU 34 10.741 -23.274 -4.846
242 HB2 LEU 34 HB2 LEU 34 13.218 -24.270 -6.266
243 HB3 LEU 34 HB3 LEU 34 11.722 -25.226 -6.168
244 HG LEU 34 HG LEU 34 11.698 -22.437 -7.307
245 HD11 LEU 34 HD11 LEU 34 13.424 -24.191 -8.348
246 HD12 LEU 34 HD12 LEU 34 12.466 -23.076 -9.351
247 HD13 LEU 34 HD13 LEU 34 11.939 -24.763 -9.148
248 HD21 LEU 34 HD21 LEU 34 9.634 -23.908 -6.677
249 HD22 LEU 34 HD22 LEU 34 10.038 -24.785 -8.171
250 HD23 LEU 34 HD23 LEU 34 9.666 -23.045 -8.234
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 0.268 1.690 -4.522
2 H2 ALA 1 H2 ALA 1 1.540 0.689 -5.034
3 H3 ALA 1 H3 ALA 1 -0.019 0.046 -4.837
4 HA ALA 1 HA ALA 1 1.883 0.952 -2.802
5 HB1 ALA 1 HB1 ALA 1 -0.588 1.794 -2.574
6 HB2 ALA 1 HB2 ALA 1 -0.910 0.109 -2.100
7 HB3 ALA 1 HB3 ALA 1 0.252 1.089 -1.173
8 H GLU 2 H GLU 2 1.981 -1.193 -4.778
9 HA GLU 2 HA GLU 2 1.752 -3.514 -2.898
10 HB2 GLU 2 HB2 GLU 2 1.526 -3.564 -5.931
11 HB3 GLU 2 HB3 GLU 2 1.377 -4.956 -4.841
12 HG2 GLU 2 HG2 GLU 2 -0.575 -3.685 -3.772
13 HG3 GLU 2 HG3 GLU 2 -0.512 -2.639 -5.210
14 H CYS 3 H CYS 3 3.229 -5.381 -3.645
15 HA CYS 3 HA CYS 3 5.907 -4.166 -4.168
16 HB2 CYS 3 HB2 CYS 3 6.842 -6.120 -3.022
17 HB3 CYS 3 HB3 CYS 3 5.638 -5.317 -1.992
18 H LYS 4 H LYS 4 7.473 -5.478 -5.369
19 HA LYS 4 HA LYS 4 6.510 -6.194 -7.913
20 HB2 LYS 4 HB2 LYS 4 9.047 -6.400 -6.434
21 HB3 LYS 4 HB3 LYS 4 8.844 -7.665 -7.663
22 HG2 LYS 4 HG2 LYS 4 10.028 -5.708 -8.543
23 HG3 LYS 4 HG3 LYS 4 8.479 -5.979 -9.379
24 HD2 LYS 4 HD2 LYS 4 7.423 -4.216 -8.105
25 HD3 LYS 4 HD3 LYS 4 8.883 -4.014 -7.104
26 HE2 LYS 4 HE2 LYS 4 8.665 -3.505 -10.088
27 HE3 LYS 4 HE3 LYS 4 8.726 -2.266 -8.812
28 HZ1 LYS 4 HZ1 LYS 4 10.918 -2.313 -9.114
29 HZ2 LYS 4 HZ2 LYS 4 10.866 -3.730 -10.035
30 HZ3 LYS 4 HZ3 LYS 4 10.924 -3.822 -8.347
31 H GLY 5 H GLY 5 7.039 -8.445 -8.934
32 HA2 GLY 5 HA2 GLY 5 5.770 -10.489 -7.141
33 HA3 GLY 5 HA3 GLY 5 5.444 -10.364 -8.880
34 H PHE 6 H PHE 6 6.248 -12.090 -9.859
35 HA PHE 6 HA PHE 6 8.978 -12.983 -9.019
36 HB2 PHE 6 HB2 PHE 6 7.392 -14.735 -8.588
37 HB3 PHE 6 HB3 PHE 6 6.640 -14.533 -10.186
38 HD1 PHE 6 HD1 PHE 6 10.212 -14.856 -9.138
39 HD2 PHE 6 HD2 PHE 6 6.972 -16.469 -11.377
40 HE1 PHE 6 HE1 PHE 6 11.709 -16.580 -10.055
41 HE2 PHE 6 HE2 PHE 6 8.462 -18.196 -12.297
42 HZ PHE 6 HZ PHE 6 10.834 -18.253 -11.638
43 H TRP 7 H TRP 7 6.844 -12.156 -11.702
44 HA TRP 7 HA TRP 7 9.131 -12.527 -13.581
45 HB2 TRP 7 HB2 TRP 7 7.522 -12.568 -15.362
46 HB3 TRP 7 HB3 TRP 7 6.906 -13.628 -14.077
47 HD1 TRP 7 HD1 TRP 7 4.779 -12.720 -12.665
48 HE1 TRP 7 HE1 TRP 7 2.905 -11.027 -13.265
49 HE3 TRP 7 HE3 TRP 7 7.063 -10.448 -16.636
50 HZ2 TRP 7 HZ2 TRP 7 2.512 -9.003 -15.202
51 HZ3 TRP 7 HZ3 TRP 7 5.871 -8.643 -17.808
52 HH2 TRP 7 HH2 TRP 7 3.641 -7.936 -17.105
53 H LYS 8 H LYS 8 7.969 -10.209 -11.630
54 HA LYS 8 HA LYS 8 7.692 -7.969 -13.420
55 HB2 LYS 8 HB2 LYS 8 8.188 -8.272 -10.454
56 HB3 LYS 8 HB3 LYS 8 8.234 -6.674 -11.223
57 HG2 LYS 8 HG2 LYS 8 5.887 -8.586 -11.295
58 HG3 LYS 8 HG3 LYS 8 6.047 -7.175 -10.219
59 HD2 LYS 8 HD2 LYS 8 6.345 -5.797 -12.363
60 HD3 LYS 8 HD3 LYS 8 5.748 -7.236 -13.227
61 HE2 LYS 8 HE2 LYS 8 3.790 -6.060 -12.898
62 HE3 LYS 8 HE3 LYS 8 3.803 -7.119 -11.468
63 HZ1 LYS 8 HZ1 LYS 8 5.206 -4.705 -10.943
64 HZ2 LYS 8 HZ2 LYS 8 3.859 -5.352 -10.150
65 HZ3 LYS 8 HZ3 LYS 8 3.648 -4.358 -11.503
66 H SER 9 H SER 9 9.199 -5.967 -12.989
67 HA SER 9 HA SER 9 11.975 -6.952 -13.495
68 HB2 SER 9 HB2 SER 9 12.279 -4.713 -14.637
69 HB3 SER 9 HB3 SER 9 11.101 -5.794 -15.420
70 HG SER 9 HG SER 9 10.296 -3.852 -13.500
71 H CYS 10 H CYS 10 13.353 -6.691 -11.889
72 HA CYS 10 HA CYS 10 13.081 -4.228 -10.220
73 HB2 CYS 10 HB2 CYS 10 13.570 -5.456 -8.220
74 HB3 CYS 10 HB3 CYS 10 12.256 -6.318 -9.049
75 H VAL 11 H VAL 11 15.034 -3.449 -9.257
76 HA VAL 11 HA VAL 11 17.396 -4.156 -10.923
77 HB VAL 11 HB VAL 11 18.363 -2.031 -9.959
78 HG11 VAL 11 HG11 VAL 11 17.099 -0.569 -11.420
79 HG12 VAL 11 HG12 VAL 11 17.273 -2.167 -12.185
80 HG13 VAL 11 HG13 VAL 11 15.730 -1.704 -11.428
81 HG21 VAL 11 HG21 VAL 11 16.147 -2.259 -8.224
82 HG22 VAL 11 HG22 VAL 11 17.347 -0.946 -8.299
83 HG23 VAL 11 HG23 VAL 11 15.843 -0.830 -9.243
84 HA PRO 12 HA PRO 12 19.574 -6.081 -7.624
85 HB2 PRO 12 HB2 PRO 12 22.135 -5.334 -8.186
86 HB3 PRO 12 HB3 PRO 12 21.237 -6.530 -9.155
87 HG2 PRO 12 HG2 PRO 12 21.711 -3.604 -9.687
88 HG3 PRO 12 HG3 PRO 12 21.793 -4.990 -10.818
89 HD2 PRO 12 HD2 PRO 12 19.642 -3.327 -10.682
90 HD3 PRO 12 HD3 PRO 12 19.498 -5.066 -11.090
91 H GLY 13 H GLY 13 19.859 -5.618 -5.537
92 HA2 GLY 13 HA2 GLY 13 20.948 -4.385 -3.776
93 HA3 GLY 13 HA3 GLY 13 21.049 -2.973 -4.844
94 H LYS 14 H LYS 14 18.132 -3.637 -5.633
95 HA LYS 14 HA LYS 14 16.980 -1.990 -3.463
96 HB2 LYS 14 HB2 LYS 14 16.202 -2.692 -6.279
97 HB3 LYS 14 HB3 LYS 14 14.937 -2.177 -5.146
98 HG2 LYS 14 HG2 LYS 14 16.555 -0.181 -4.675
99 HG3 LYS 14 HG3 LYS 14 17.260 -0.632 -6.246
100 HD2 LYS 14 HD2 LYS 14 14.823 -0.585 -7.111
101 HD3 LYS 14 HD3 LYS 14 14.466 0.316 -5.617
102 HE2 LYS 14 HE2 LYS 14 16.423 1.845 -6.311
103 HE3 LYS 14 HE3 LYS 14 16.270 1.084 -7.912
104 HZ1 LYS 14 HZ1 LYS 14 14.237 2.692 -6.462
105 HZ2 LYS 14 HZ2 LYS 14 13.862 1.751 -7.816
106 HZ3 LYS 14 HZ3 LYS 14 14.963 3.030 -7.952
107 H ASN 15 H ASN 15 16.245 -5.030 -5.221
108 HA ASN 15 HA ASN 15 15.074 -6.891 -4.566
109 HB2 ASN 15 HB2 ASN 15 15.590 -5.902 -1.735
110 HB3 ASN 15 HB3 ASN 15 15.139 -7.554 -2.210
111 HD21 ASN 15 HD21 ASN 15 17.545 -6.213 -0.877
112 HD22 ASN 15 HD22 ASN 15 18.941 -6.896 -1.782
113 H GLU 16 H GLU 16 13.497 -4.856 -5.384
114 HA GLU 16 HA GLU 16 11.512 -4.007 -3.523
115 HB2 GLU 16 HB2 GLU 16 11.285 -4.446 -6.524
116 HB3 GLU 16 HB3 GLU 16 10.137 -3.529 -5.530
117 HG2 GLU 16 HG2 GLU 16 12.299 -2.173 -4.862
118 HG3 GLU 16 HG3 GLU 16 12.906 -2.821 -6.405
119 H CYS 17 H CYS 17 12.014 -7.017 -5.204
120 HA CYS 17 HA CYS 17 9.428 -8.081 -5.283
121 HB2 CYS 17 HB2 CYS 17 11.977 -9.561 -4.524
122 HB3 CYS 17 HB3 CYS 17 10.488 -10.291 -5.165
123 H CYS 18 H CYS 18 8.278 -9.538 -3.900
124 HA CYS 18 HA CYS 18 8.074 -8.576 -1.220
125 HB2 CYS 18 HB2 CYS 18 7.063 -11.208 -2.367
126 HB3 CYS 18 HB3 CYS 18 6.484 -10.412 -0.887
127 H SER 19 H SER 19 8.290 -9.846 0.770
128 HA SER 19 HA SER 19 10.918 -10.714 1.189
129 HB2 SER 19 HB2 SER 19 9.117 -10.098 2.915
130 HB3 SER 19 HB3 SER 19 8.558 -11.781 2.770
131 HG SER 19 HG SER 19 10.072 -11.489 4.494
132 H GLY 20 H GLY 20 12.047 -12.541 0.922
133 HA2 GLY 20 HA2 GLY 20 12.196 -14.956 0.879
134 HA3 GLY 20 HA3 GLY 20 10.511 -15.032 0.330
135 H TYR 21 H TYR 21 11.240 -12.689 -1.549
136 HA TYR 21 HA TYR 21 12.168 -14.485 -3.720
137 HB2 TYR 21 HB2 TYR 21 10.876 -11.733 -3.733
138 HB3 TYR 21 HB3 TYR 21 11.442 -12.564 -5.199
139 HD1 TYR 21 HD2 TYR 21 9.223 -13.144 -2.239
140 HD2 TYR 21 HD1 TYR 21 9.941 -13.873 -6.368
141 HE1 TYR 21 HE2 TYR 21 7.066 -14.316 -2.400
142 HE2 TYR 21 HE1 TYR 21 7.785 -15.047 -6.541
143 HH TYR 21 HH TYR 21 5.759 -15.615 -3.676
144 H ALA 22 H ALA 22 13.866 -13.977 -5.118
145 HA ALA 22 HA ALA 22 15.809 -12.034 -3.941
146 HB1 ALA 22 HB1 ALA 22 17.541 -13.425 -4.507
147 HB2 ALA 22 HB2 ALA 22 16.261 -14.630 -4.223
148 HB3 ALA 22 HB3 ALA 22 16.669 -14.138 -5.885
149 H CYS 23 H CYS 23 17.356 -11.069 -5.551
150 HA CYS 23 HA CYS 23 15.838 -10.361 -8.032
151 HB2 CYS 23 HB2 CYS 23 17.194 -8.723 -5.992
152 HB3 CYS 23 HB3 CYS 23 17.672 -8.320 -7.656
153 H SER 24 H SER 24 16.821 -10.512 -9.970
154 HA SER 24 HA SER 24 19.698 -11.346 -9.921
155 HB2 SER 24 HB2 SER 24 17.472 -12.819 -10.829
156 HB3 SER 24 HB3 SER 24 18.266 -12.217 -12.305
157 HG SER 24 HG SER 24 19.128 -14.240 -11.589
158 H SER 25 H SER 25 20.902 -9.727 -10.637
159 HA SER 25 HA SER 25 19.849 -7.659 -12.358
160 HB2 SER 25 HB2 SER 25 21.857 -6.581 -12.004
161 HB3 SER 25 HB3 SER 25 21.893 -7.711 -10.628
162 HG SER 25 HG SER 25 23.867 -7.707 -11.831
163 H ARG 26 H ARG 26 21.323 -10.748 -12.885
164 HA ARG 26 HA ARG 26 22.577 -10.415 -15.364
165 HB2 ARG 26 HB2 ARG 26 22.331 -12.518 -13.876
166 HB3 ARG 26 HB3 ARG 26 20.819 -12.802 -14.760
167 HG2 ARG 26 HG2 ARG 26 22.174 -12.699 -16.890
168 HG3 ARG 26 HG3 ARG 26 23.630 -12.717 -15.864
169 HD2 ARG 26 HD2 ARG 26 23.093 -14.968 -16.636
170 HD3 ARG 26 HD3 ARG 26 22.896 -14.845 -14.871
171 HE ARG 26 HE ARG 26 20.419 -14.349 -16.291
172 HH11 ARG 26 HH11 ARG 26 22.608 -16.852 -15.107
173 HH12 ARG 26 HH12 ARG 26 21.338 -18.073 -14.980
174 HH21 ARG 26 HH21 ARG 26 18.784 -15.929 -16.126
175 HH22 ARG 26 HH22 ARG 26 19.183 -17.553 -15.555
176 H ASP 27 H ASP 27 19.121 -11.063 -14.699
177 HA ASP 27 HA ASP 27 18.572 -10.262 -17.530
178 HB2 ASP 27 HB2 ASP 27 17.665 -12.524 -15.935
179 HB3 ASP 27 HB3 ASP 27 16.288 -11.560 -16.514
180 H LYS 28 H LYS 28 18.482 -9.187 -14.411
181 HA LYS 28 HA LYS 28 17.376 -7.475 -13.355
182 HB2 LYS 28 HB2 LYS 28 16.886 -6.836 -16.260
183 HB3 LYS 28 HB3 LYS 28 16.107 -5.861 -14.999
184 HG2 LYS 28 HG2 LYS 28 18.305 -5.331 -14.047
185 HG3 LYS 28 HG3 LYS 28 19.087 -6.312 -15.313
186 HD2 LYS 28 HD2 LYS 28 19.185 -3.967 -15.924
187 HD3 LYS 28 HD3 LYS 28 18.084 -4.825 -17.030
188 HE2 LYS 28 HE2 LYS 28 16.206 -3.805 -16.173
189 HE3 LYS 28 HE3 LYS 28 16.948 -3.540 -14.577
190 HZ1 LYS 28 HZ1 LYS 28 16.900 -1.433 -15.483
191 HZ2 LYS 28 HZ2 LYS 28 17.253 -1.959 -17.052
192 HZ3 LYS 28 HZ3 LYS 28 18.469 -1.928 -15.876
193 H TRP 29 H TRP 29 16.084 -9.760 -13.018
194 HA TRP 29 HA TRP 29 13.236 -8.902 -13.175
195 HB2 TRP 29 HB2 TRP 29 12.607 -11.298 -13.662
196 HB3 TRP 29 HB3 TRP 29 13.439 -10.466 -14.993
197 HD1 TRP 29 HD1 TRP 29 15.736 -11.609 -12.245
198 HE1 TRP 29 HE1 TRP 29 17.096 -13.684 -13.009
199 HE3 TRP 29 HE3 TRP 29 13.149 -12.663 -16.527
200 HZ2 TRP 29 HZ2 TRP 29 17.023 -15.499 -15.178
201 HZ3 TRP 29 HZ3 TRP 29 13.859 -14.586 -17.891
202 HH2 TRP 29 HH2 TRP 29 15.756 -15.973 -17.228
203 H CYS 30 H CYS 30 11.956 -10.861 -11.906
204 HA CYS 30 HA CYS 30 13.188 -10.740 -9.210
205 HB2 CYS 30 HB2 CYS 30 10.403 -11.071 -10.281
206 HB3 CYS 30 HB3 CYS 30 10.778 -11.752 -8.683
207 H LYS 31 H LYS 31 12.841 -12.654 -7.762
208 HA LYS 31 HA LYS 31 12.924 -15.226 -9.249
209 HB2 LYS 31 HB2 LYS 31 14.980 -14.505 -7.133
210 HB3 LYS 31 HB3 LYS 31 14.932 -15.963 -8.142
211 HG2 LYS 31 HG2 LYS 31 15.289 -13.169 -9.243
212 HG3 LYS 31 HG3 LYS 31 16.636 -14.252 -8.815
213 HD2 LYS 31 HD2 LYS 31 14.595 -15.501 -10.528
214 HD3 LYS 31 HD3 LYS 31 15.417 -14.111 -11.277
215 HE2 LYS 31 HE2 LYS 31 16.944 -15.677 -11.857
216 HE3 LYS 31 HE3 LYS 31 17.541 -15.395 -10.205
217 HZ1 LYS 31 HZ1 LYS 31 15.482 -17.450 -10.747
218 HZ2 LYS 31 HZ2 LYS 31 16.544 -17.331 -9.437
219 HZ3 LYS 31 HZ3 LYS 31 17.126 -17.792 -10.956
220 H VAL 32 H VAL 32 12.332 -17.050 -8.048
221 HA VAL 32 HA VAL 32 11.308 -16.462 -5.303
222 HB VAL 32 HB VAL 32 9.415 -16.451 -6.890
223 HG11 VAL 32 HG11 VAL 32 10.770 -18.362 -8.265
224 HG12 VAL 32 HG12 VAL 32 9.573 -19.360 -7.405
225 HG13 VAL 32 HG13 VAL 32 9.032 -18.032 -8.458
226 HG21 VAL 32 HG21 VAL 32 7.987 -17.822 -5.614
227 HG22 VAL 32 HG22 VAL 32 9.279 -18.996 -5.267
228 HG23 VAL 32 HG23 VAL 32 9.310 -17.389 -4.504
229 H LEU 33 H LEU 33 11.837 -17.906 -3.789
230 HA LEU 33 HA LEU 33 13.579 -20.113 -4.540
231 HB2 LEU 33 HB2 LEU 33 12.370 -19.341 -1.869
232 HB3 LEU 33 HB3 LEU 33 13.638 -20.564 -2.111
233 HG LEU 33 HG LEU 33 14.121 -17.750 -3.030
234 HD11 LEU 33 HD11 LEU 33 14.999 -18.379 -0.286
235 HD12 LEU 33 HD12 LEU 33 13.246 -18.139 -0.481
236 HD13 LEU 33 HD13 LEU 33 14.379 -16.861 -0.981
237 HD21 LEU 33 HD21 LEU 33 15.682 -20.186 -2.327
238 HD22 LEU 33 HD22 LEU 33 16.414 -18.608 -1.945
239 HD23 LEU 33 HD23 LEU 33 15.940 -18.988 -3.618
240 H LEU 34 H LEU 34 12.539 -21.682 -5.668
241 HA LEU 34 HA LEU 34 9.908 -22.624 -5.031
242 HB2 LEU 34 HB2 LEU 34 12.193 -23.577 -6.713
243 HB3 LEU 34 HB3 LEU 34 10.872 -24.712 -6.351
244 HG LEU 34 HG LEU 34 10.231 -22.007 -7.486
245 HD11 LEU 34 HD11 LEU 34 11.131 -24.409 -9.102
246 HD12 LEU 34 HD12 LEU 34 12.025 -22.881 -8.911
247 HD13 LEU 34 HD13 LEU 34 10.456 -22.894 -9.751
248 HD21 LEU 34 HD21 LEU 34 8.996 -24.763 -7.771
249 HD22 LEU 34 HD22 LEU 34 8.360 -23.250 -8.463
250 HD23 LEU 34 HD23 LEU 34 8.424 -23.463 -6.697
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 0.384 1.376 -1.813
2 H2 ALA 1 H2 ALA 1 1.471 1.067 -3.080
3 H3 ALA 1 H3 ALA 1 0.280 -0.077 -2.685
4 HA ALA 1 HA ALA 1 2.796 0.544 -1.404
5 HB1 ALA 1 HB1 ALA 1 1.755 -0.655 0.678
6 HB2 ALA 1 HB2 ALA 1 1.558 1.102 0.465
7 HB3 ALA 1 HB3 ALA 1 0.225 -0.002 0.045
8 H GLU 2 H GLU 2 1.712 -1.040 -3.676
9 HA GLU 2 HA GLU 2 1.772 -3.812 -2.723
10 HB2 GLU 2 HB2 GLU 2 1.374 -2.425 -5.348
11 HB3 GLU 2 HB3 GLU 2 1.924 -4.111 -5.377
12 HG2 GLU 2 HG2 GLU 2 -0.370 -4.333 -5.492
13 HG3 GLU 2 HG3 GLU 2 -0.054 -4.534 -3.752
14 H CYS 3 H CYS 3 3.242 -5.408 -3.838
15 HA CYS 3 HA CYS 3 5.965 -4.211 -4.155
16 HB2 CYS 3 HB2 CYS 3 6.884 -6.231 -3.046
17 HB3 CYS 3 HB3 CYS 3 5.814 -5.304 -1.972
18 H LYS 4 H LYS 4 7.492 -5.562 -5.370
19 HA LYS 4 HA LYS 4 6.450 -6.302 -7.883
20 HB2 LYS 4 HB2 LYS 4 9.032 -6.500 -6.475
21 HB3 LYS 4 HB3 LYS 4 8.789 -7.765 -7.695
22 HG2 LYS 4 HG2 LYS 4 9.945 -5.832 -8.633
23 HG3 LYS 4 HG3 LYS 4 8.352 -6.062 -9.393
24 HD2 LYS 4 HD2 LYS 4 7.402 -4.299 -8.006
25 HD3 LYS 4 HD3 LYS 4 8.954 -4.104 -7.154
26 HE2 LYS 4 HE2 LYS 4 9.147 -2.413 -8.685
27 HE3 LYS 4 HE3 LYS 4 9.849 -3.749 -9.631
28 HZ1 LYS 4 HZ1 LYS 4 7.179 -2.503 -9.881
29 HZ2 LYS 4 HZ2 LYS 4 7.446 -4.075 -10.443
30 HZ3 LYS 4 HZ3 LYS 4 8.339 -2.785 -11.080
31 H GLY 5 H GLY 5 6.955 -8.568 -8.885
32 HA2 GLY 5 HA2 GLY 5 5.734 -10.584 -7.025
33 HA3 GLY 5 HA3 GLY 5 5.369 -10.491 -8.760
34 H PHE 6 H PHE 6 6.281 -12.021 -9.927
35 HA PHE 6 HA PHE 6 8.968 -12.997 -9.042
36 HB2 PHE 6 HB2 PHE 6 7.391 -14.763 -8.647
37 HB3 PHE 6 HB3 PHE 6 6.626 -14.521 -10.233
38 HD1 PHE 6 HD1 PHE 6 10.194 -14.904 -9.182
39 HD2 PHE 6 HD2 PHE 6 6.962 -16.394 -11.514
40 HE1 PHE 6 HE1 PHE 6 11.683 -16.605 -10.154
41 HE2 PHE 6 HE2 PHE 6 8.444 -18.099 -12.488
42 HZ PHE 6 HZ PHE 6 10.809 -18.204 -11.809
43 H TRP 7 H TRP 7 6.793 -12.302 -11.762
44 HA TRP 7 HA TRP 7 9.100 -12.563 -13.623
45 HB2 TRP 7 HB2 TRP 7 7.342 -12.326 -15.404
46 HB3 TRP 7 HB3 TRP 7 7.113 -13.733 -14.343
47 HD1 TRP 7 HD1 TRP 7 5.752 -10.102 -14.667
48 HE1 TRP 7 HE1 TRP 7 3.267 -10.084 -13.911
49 HE3 TRP 7 HE3 TRP 7 5.369 -14.994 -13.229
50 HZ2 TRP 7 HZ2 TRP 7 1.435 -11.956 -12.846
51 HZ3 TRP 7 HZ3 TRP 7 3.216 -15.801 -12.352
52 HH2 TRP 7 HH2 TRP 7 1.290 -14.312 -12.164
53 H LYS 8 H LYS 8 7.911 -10.273 -11.652
54 HA LYS 8 HA LYS 8 7.618 -8.021 -13.428
55 HB2 LYS 8 HB2 LYS 8 8.161 -8.294 -10.459
56 HB3 LYS 8 HB3 LYS 8 8.063 -6.711 -11.257
57 HG2 LYS 8 HG2 LYS 8 5.870 -8.799 -11.265
58 HG3 LYS 8 HG3 LYS 8 5.948 -7.393 -10.175
59 HD2 LYS 8 HD2 LYS 8 6.096 -5.979 -12.319
60 HD3 LYS 8 HD3 LYS 8 5.566 -7.449 -13.171
61 HE2 LYS 8 HE2 LYS 8 3.535 -6.456 -12.772
62 HE3 LYS 8 HE3 LYS 8 3.693 -7.449 -11.305
63 HZ1 LYS 8 HZ1 LYS 8 4.663 -5.434 -10.218
64 HZ2 LYS 8 HZ2 LYS 8 3.032 -5.285 -10.642
65 HZ3 LYS 8 HZ3 LYS 8 4.222 -4.536 -11.582
66 H SER 9 H SER 9 9.107 -6.004 -12.926
67 HA SER 9 HA SER 9 11.891 -6.954 -13.454
68 HB2 SER 9 HB2 SER 9 10.971 -4.164 -14.110
69 HB3 SER 9 HB3 SER 9 12.194 -5.172 -14.916
70 HG SER 9 HG SER 9 10.254 -4.963 -16.156
71 H CYS 10 H CYS 10 13.396 -6.577 -11.987
72 HA CYS 10 HA CYS 10 13.061 -4.212 -10.206
73 HB2 CYS 10 HB2 CYS 10 13.560 -5.472 -8.230
74 HB3 CYS 10 HB3 CYS 10 12.250 -6.328 -9.070
75 H VAL 11 H VAL 11 15.029 -3.488 -9.189
76 HA VAL 11 HA VAL 11 17.393 -4.182 -10.871
77 HB VAL 11 HB VAL 11 18.341 -2.025 -9.926
78 HG11 VAL 11 HG11 VAL 11 16.871 -0.579 -11.385
79 HG12 VAL 11 HG12 VAL 11 17.521 -2.041 -12.168
80 HG13 VAL 11 HG13 VAL 11 15.829 -2.003 -11.617
81 HG21 VAL 11 HG21 VAL 11 16.258 -2.199 -8.151
82 HG22 VAL 11 HG22 VAL 11 17.201 -0.727 -8.485
83 HG23 VAL 11 HG23 VAL 11 15.651 -0.998 -9.318
84 HA PRO 12 HA PRO 12 19.560 -6.002 -7.504
85 HB2 PRO 12 HB2 PRO 12 22.120 -5.245 -8.059
86 HB3 PRO 12 HB3 PRO 12 21.243 -6.473 -9.008
87 HG2 PRO 12 HG2 PRO 12 21.697 -3.556 -9.606
88 HG3 PRO 12 HG3 PRO 12 21.801 -4.969 -10.702
89 HD2 PRO 12 HD2 PRO 12 19.636 -3.324 -10.629
90 HD3 PRO 12 HD3 PRO 12 19.509 -5.073 -10.994
91 H GLY 13 H GLY 13 19.936 -5.516 -5.428
92 HA2 GLY 13 HA2 GLY 13 20.972 -4.216 -3.696
93 HA3 GLY 13 HA3 GLY 13 21.042 -2.825 -4.794
94 H LYS 14 H LYS 14 18.139 -3.553 -5.560
95 HA LYS 14 HA LYS 14 16.961 -1.928 -3.377
96 HB2 LYS 14 HB2 LYS 14 16.048 -2.665 -6.173
97 HB3 LYS 14 HB3 LYS 14 14.973 -1.875 -5.004
98 HG2 LYS 14 HG2 LYS 14 16.984 -0.166 -4.823
99 HG3 LYS 14 HG3 LYS 14 17.359 -0.801 -6.443
100 HD2 LYS 14 HD2 LYS 14 14.950 -0.324 -7.061
101 HD3 LYS 14 HD3 LYS 14 14.810 0.544 -5.512
102 HE2 LYS 14 HE2 LYS 14 16.430 2.153 -6.160
103 HE3 LYS 14 HE3 LYS 14 16.947 1.179 -7.556
104 HZ1 LYS 14 HZ1 LYS 14 14.271 2.452 -7.245
105 HZ2 LYS 14 HZ2 LYS 14 14.808 1.575 -8.590
106 HZ3 LYS 14 HZ3 LYS 14 15.534 3.053 -8.199
107 H ASN 15 H ASN 15 16.301 -4.938 -5.208
108 HA ASN 15 HA ASN 15 15.083 -6.801 -4.645
109 HB2 ASN 15 HB2 ASN 15 15.910 -5.859 -1.881
110 HB3 ASN 15 HB3 ASN 15 15.010 -7.367 -2.146
111 HD21 ASN 15 HD21 ASN 15 16.621 -8.690 -1.403
112 HD22 ASN 15 HD22 ASN 15 18.154 -8.935 -2.310
113 H GLU 16 H GLU 16 13.497 -4.762 -5.377
114 HA GLU 16 HA GLU 16 11.547 -3.939 -3.476
115 HB2 GLU 16 HB2 GLU 16 11.500 -4.240 -6.488
116 HB3 GLU 16 HB3 GLU 16 10.089 -3.659 -5.585
117 HG2 GLU 16 HG2 GLU 16 12.716 -2.334 -5.091
118 HG3 GLU 16 HG3 GLU 16 11.877 -2.005 -6.626
119 H CYS 17 H CYS 17 12.021 -6.937 -5.178
120 HA CYS 17 HA CYS 17 9.434 -8.002 -5.234
121 HB2 CYS 17 HB2 CYS 17 11.989 -9.487 -4.504
122 HB3 CYS 17 HB3 CYS 17 10.495 -10.209 -5.138
123 H CYS 18 H CYS 18 8.295 -9.456 -3.845
124 HA CYS 18 HA CYS 18 8.130 -8.505 -1.155
125 HB2 CYS 18 HB2 CYS 18 7.077 -11.118 -2.308
126 HB3 CYS 18 HB3 CYS 18 6.526 -10.328 -0.816
127 H SER 19 H SER 19 8.338 -9.818 0.819
128 HA SER 19 HA SER 19 10.972 -10.712 1.194
129 HB2 SER 19 HB2 SER 19 9.158 -10.084 2.935
130 HB3 SER 19 HB3 SER 19 8.655 -11.788 2.824
131 HG SER 19 HG SER 19 10.189 -11.419 4.517
132 H GLY 20 H GLY 20 12.067 -12.543 0.861
133 HA2 GLY 20 HA2 GLY 20 12.162 -14.973 0.834
134 HA3 GLY 20 HA3 GLY 20 10.476 -15.007 0.284
135 H TYR 21 H TYR 21 11.210 -12.688 -1.592
136 HA TYR 21 HA TYR 21 12.138 -14.483 -3.763
137 HB2 TYR 21 HB2 TYR 21 10.858 -11.725 -3.781
138 HB3 TYR 21 HB3 TYR 21 11.411 -12.570 -5.244
139 HD1 TYR 21 HD2 TYR 21 9.196 -13.100 -2.273
140 HD2 TYR 21 HD1 TYR 21 9.902 -13.895 -6.391
141 HE1 TYR 21 HE2 TYR 21 7.031 -14.257 -2.413
142 HE2 TYR 21 HE1 TYR 21 7.739 -15.053 -6.545
143 HH TYR 21 HH TYR 21 5.603 -15.358 -3.695
144 H ALA 22 H ALA 22 13.847 -13.995 -5.146
145 HA ALA 22 HA ALA 22 15.786 -12.038 -3.981
146 HB1 ALA 22 HB1 ALA 22 17.440 -13.520 -4.300
147 HB2 ALA 22 HB2 ALA 22 16.135 -14.722 -4.440
148 HB3 ALA 22 HB3 ALA 22 16.838 -13.995 -5.906
149 H CYS 23 H CYS 23 17.344 -11.100 -5.598
150 HA CYS 23 HA CYS 23 15.837 -10.415 -8.092
151 HB2 CYS 23 HB2 CYS 23 17.218 -8.759 -6.075
152 HB3 CYS 23 HB3 CYS 23 17.658 -8.369 -7.753
153 H SER 24 H SER 24 16.826 -10.592 -10.024
154 HA SER 24 HA SER 24 19.688 -11.465 -9.954
155 HB2 SER 24 HB2 SER 24 17.458 -12.896 -10.880
156 HB3 SER 24 HB3 SER 24 18.234 -12.271 -12.357
157 HG SER 24 HG SER 24 19.093 -14.313 -11.695
158 H SER 25 H SER 25 20.946 -9.882 -10.650
159 HA SER 25 HA SER 25 19.965 -7.761 -12.351
160 HB2 SER 25 HB2 SER 25 22.647 -7.458 -12.511
161 HB3 SER 25 HB3 SER 25 21.699 -6.949 -11.093
162 HG SER 25 HG SER 25 23.538 -8.231 -10.524
163 H ARG 26 H ARG 26 21.327 -10.889 -12.913
164 HA ARG 26 HA ARG 26 22.609 -10.559 -15.382
165 HB2 ARG 26 HB2 ARG 26 21.816 -12.699 -13.792
166 HB3 ARG 26 HB3 ARG 26 20.903 -12.949 -15.294
167 HG2 ARG 26 HG2 ARG 26 23.905 -12.600 -15.073
168 HG3 ARG 26 HG3 ARG 26 23.037 -14.135 -15.332
169 HD2 ARG 26 HD2 ARG 26 22.157 -13.292 -17.454
170 HD3 ARG 26 HD3 ARG 26 22.977 -11.735 -17.188
171 HE ARG 26 HE ARG 26 24.917 -13.804 -17.051
172 HH11 ARG 26 HH11 ARG 26 22.754 -12.245 -19.364
173 HH12 ARG 26 HH12 ARG 26 23.807 -12.558 -20.747
174 HH21 ARG 26 HH21 ARG 26 26.272 -14.207 -18.839
175 HH22 ARG 26 HH22 ARG 26 25.792 -13.665 -20.451
176 H ASP 27 H ASP 27 19.133 -11.119 -14.735
177 HA ASP 27 HA ASP 27 18.616 -10.266 -17.557
178 HB2 ASP 27 HB2 ASP 27 17.648 -12.527 -16.002
179 HB3 ASP 27 HB3 ASP 27 16.295 -11.518 -16.560
180 H LYS 28 H LYS 28 18.556 -9.221 -14.432
181 HA LYS 28 HA LYS 28 17.494 -7.494 -13.358
182 HB2 LYS 28 HB2 LYS 28 17.006 -6.815 -16.255
183 HB3 LYS 28 HB3 LYS 28 16.264 -5.830 -14.978
184 HG2 LYS 28 HG2 LYS 28 18.571 -5.524 -14.012
185 HG3 LYS 28 HG3 LYS 28 19.206 -6.298 -15.484
186 HD2 LYS 28 HD2 LYS 28 19.323 -3.966 -15.879
187 HD3 LYS 28 HD3 LYS 28 17.909 -4.541 -16.795
188 HE2 LYS 28 HE2 LYS 28 16.409 -3.750 -15.072
189 HE3 LYS 28 HE3 LYS 28 17.782 -3.308 -14.028
190 HZ1 LYS 28 HZ1 LYS 28 16.920 -2.027 -16.561
191 HZ2 LYS 28 HZ2 LYS 28 18.460 -1.775 -15.910
192 HZ3 LYS 28 HZ3 LYS 28 17.087 -1.324 -15.032
193 H TRP 29 H TRP 29 16.147 -9.754 -13.046
194 HA TRP 29 HA TRP 29 13.322 -8.823 -13.178
195 HB2 TRP 29 HB2 TRP 29 12.627 -11.193 -13.700
196 HB3 TRP 29 HB3 TRP 29 13.478 -10.363 -15.022
197 HD1 TRP 29 HD1 TRP 29 15.758 -11.600 -12.303
198 HE1 TRP 29 HE1 TRP 29 17.058 -13.704 -13.099
199 HE3 TRP 29 HE3 TRP 29 13.116 -12.540 -16.578
200 HZ2 TRP 29 HZ2 TRP 29 16.921 -15.492 -15.286
201 HZ3 TRP 29 HZ3 TRP 29 13.763 -14.465 -17.966
202 HH2 TRP 29 HH2 TRP 29 15.628 -15.909 -17.332
203 H CYS 30 H CYS 30 11.998 -10.770 -11.934
204 HA CYS 30 HA CYS 30 13.242 -10.720 -9.242
205 HB2 CYS 30 HB2 CYS 30 10.448 -10.954 -10.308
206 HB3 CYS 30 HB3 CYS 30 10.804 -11.690 -8.730
207 H LYS 31 H LYS 31 12.824 -12.651 -7.820
208 HA LYS 31 HA LYS 31 12.836 -15.203 -9.341
209 HB2 LYS 31 HB2 LYS 31 14.950 -14.558 -7.258
210 HB3 LYS 31 HB3 LYS 31 14.842 -16.007 -8.276
211 HG2 LYS 31 HG2 LYS 31 15.269 -13.212 -9.353
212 HG3 LYS 31 HG3 LYS 31 16.582 -14.357 -8.980
213 HD2 LYS 31 HD2 LYS 31 14.457 -15.509 -10.647
214 HD3 LYS 31 HD3 LYS 31 15.280 -14.123 -11.401
215 HE2 LYS 31 HE2 LYS 31 16.760 -15.699 -12.064
216 HE3 LYS 31 HE3 LYS 31 17.412 -15.479 -10.422
217 HZ1 LYS 31 HZ1 LYS 31 16.366 -17.408 -9.677
218 HZ2 LYS 31 HZ2 LYS 31 16.933 -17.843 -11.211
219 HZ3 LYS 31 HZ3 LYS 31 15.298 -17.476 -10.988
220 H VAL 32 H VAL 32 12.251 -17.036 -8.134
221 HA VAL 32 HA VAL 32 11.256 -16.437 -5.379
222 HB VAL 32 HB VAL 32 9.355 -16.426 -6.965
223 HG11 VAL 32 HG11 VAL 32 9.594 -19.360 -7.425
224 HG12 VAL 32 HG12 VAL 32 8.889 -18.088 -8.452
225 HG13 VAL 32 HG13 VAL 32 10.655 -18.295 -8.376
226 HG21 VAL 32 HG21 VAL 32 9.239 -18.933 -5.278
227 HG22 VAL 32 HG22 VAL 32 9.229 -17.300 -4.572
228 HG23 VAL 32 HG23 VAL 32 7.924 -17.800 -5.674
229 H LEU 33 H LEU 33 11.764 -17.889 -3.862
230 HA LEU 33 HA LEU 33 13.611 -19.992 -4.486
231 HB2 LEU 33 HB2 LEU 33 11.942 -19.668 -1.978
232 HB3 LEU 33 HB3 LEU 33 13.461 -20.576 -2.146
233 HG LEU 33 HG LEU 33 13.401 -17.612 -2.662
234 HD11 LEU 33 HD11 LEU 33 13.829 -18.867 0.059
235 HD12 LEU 33 HD12 LEU 33 12.312 -18.086 -0.447
236 HD13 LEU 33 HD13 LEU 33 13.816 -17.136 -0.358
237 HD21 LEU 33 HD21 LEU 33 15.736 -18.223 -1.412
238 HD22 LEU 33 HD22 LEU 33 15.507 -18.230 -3.178
239 HD23 LEU 33 HD23 LEU 33 15.398 -19.752 -2.259
240 H LEU 34 H LEU 34 13.372 -22.114 -4.870
241 HA LEU 34 HA LEU 34 10.843 -23.106 -5.725
242 HB2 LEU 34 HB2 LEU 34 11.936 -25.110 -6.171
243 HB3 LEU 34 HB3 LEU 34 13.229 -23.896 -6.293
244 HG LEU 34 HG LEU 34 12.736 -25.687 -3.895
245 HD11 LEU 34 HD11 LEU 34 15.234 -26.060 -5.325
246 HD12 LEU 34 HD12 LEU 34 13.829 -26.367 -6.373
247 HD13 LEU 34 HD13 LEU 34 14.005 -27.252 -4.840
248 HD21 LEU 34 HD21 LEU 34 14.994 -23.776 -4.567
249 HD22 LEU 34 HD22 LEU 34 14.947 -24.881 -3.173
250 HD23 LEU 34 HD23 LEU 34 13.764 -23.556 -3.299
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 -0.321 1.973 -3.204
2 H2 ALA 1 H2 ALA 1 -0.705 0.576 -4.091
3 H3 ALA 1 H3 ALA 1 -0.867 0.580 -2.401
4 HA ALA 1 HA ALA 1 1.636 0.842 -3.922
5 HB1 ALA 1 HB1 ALA 1 2.420 1.811 -2.071
6 HB2 ALA 1 HB2 ALA 1 0.922 1.468 -1.172
7 HB3 ALA 1 HB3 ALA 1 2.208 0.240 -1.261
8 H GLU 2 H GLU 2 2.621 -1.006 -4.448
9 HA GLU 2 HA GLU 2 1.899 -3.480 -2.995
10 HB2 GLU 2 HB2 GLU 2 0.410 -3.008 -5.139
11 HB3 GLU 2 HB3 GLU 2 1.846 -3.598 -5.998
12 HG2 GLU 2 HG2 GLU 2 0.319 -5.421 -5.669
13 HG3 GLU 2 HG3 GLU 2 1.753 -5.675 -4.647
14 H CYS 3 H CYS 3 3.350 -5.252 -3.392
15 HA CYS 3 HA CYS 3 6.046 -4.244 -4.112
16 HB2 CYS 3 HB2 CYS 3 6.878 -6.257 -2.985
17 HB3 CYS 3 HB3 CYS 3 5.750 -5.376 -1.934
18 H LYS 4 H LYS 4 7.498 -5.539 -5.402
19 HA LYS 4 HA LYS 4 6.405 -6.265 -7.894
20 HB2 LYS 4 HB2 LYS 4 9.016 -6.467 -6.544
21 HB3 LYS 4 HB3 LYS 4 8.749 -7.733 -7.759
22 HG2 LYS 4 HG2 LYS 4 9.887 -5.772 -8.696
23 HG3 LYS 4 HG3 LYS 4 8.302 -6.049 -9.456
24 HD2 LYS 4 HD2 LYS 4 7.304 -4.295 -8.108
25 HD3 LYS 4 HD3 LYS 4 8.832 -4.069 -7.220
26 HE2 LYS 4 HE2 LYS 4 9.080 -2.392 -8.739
27 HE3 LYS 4 HE3 LYS 4 9.750 -3.723 -9.712
28 HZ1 LYS 4 HZ1 LYS 4 8.197 -3.289 -11.214
29 HZ2 LYS 4 HZ2 LYS 4 7.480 -2.116 -10.228
30 HZ3 LYS 4 HZ3 LYS 4 6.998 -3.734 -10.108
31 H GLY 5 H GLY 5 6.887 -8.522 -8.926
32 HA2 GLY 5 HA2 GLY 5 5.668 -10.543 -7.072
33 HA3 GLY 5 HA3 GLY 5 5.328 -10.453 -8.810
34 H PHE 6 H PHE 6 6.246 -12.001 -9.948
35 HA PHE 6 HA PHE 6 8.931 -12.960 -9.037
36 HB2 PHE 6 HB2 PHE 6 7.365 -14.727 -8.622
37 HB3 PHE 6 HB3 PHE 6 6.596 -14.507 -10.210
38 HD1 PHE 6 HD1 PHE 6 10.172 -14.855 -9.173
39 HD2 PHE 6 HD2 PHE 6 6.930 -16.407 -11.453
40 HE1 PHE 6 HE1 PHE 6 11.664 -16.563 -10.125
41 HE2 PHE 6 HE2 PHE 6 8.417 -18.119 -12.408
42 HZ PHE 6 HZ PHE 6 10.787 -18.198 -11.746
43 H TRP 7 H TRP 7 6.767 -12.294 -11.769
44 HA TRP 7 HA TRP 7 9.084 -12.575 -13.618
45 HB2 TRP 7 HB2 TRP 7 7.319 -12.360 -15.408
46 HB3 TRP 7 HB3 TRP 7 7.129 -13.774 -14.348
47 HD1 TRP 7 HD1 TRP 7 5.475 -10.434 -15.228
48 HE1 TRP 7 HE1 TRP 7 3.071 -10.380 -14.250
49 HE3 TRP 7 HE3 TRP 7 5.699 -14.718 -12.444
50 HZ2 TRP 7 HZ2 TRP 7 1.525 -11.991 -12.514
51 HZ3 TRP 7 HZ3 TRP 7 3.714 -15.391 -11.154
52 HH2 TRP 7 HH2 TRP 7 1.672 -14.054 -11.189
53 H LYS 8 H LYS 8 7.866 -10.266 -11.688
54 HA LYS 8 HA LYS 8 7.553 -8.043 -13.492
55 HB2 LYS 8 HB2 LYS 8 8.116 -8.269 -10.523
56 HB3 LYS 8 HB3 LYS 8 8.001 -6.699 -11.342
57 HG2 LYS 8 HG2 LYS 8 5.817 -8.793 -11.366
58 HG3 LYS 8 HG3 LYS 8 5.901 -7.436 -10.217
59 HD2 LYS 8 HD2 LYS 8 6.017 -5.920 -12.279
60 HD3 LYS 8 HD3 LYS 8 5.520 -7.351 -13.215
61 HE2 LYS 8 HE2 LYS 8 3.953 -6.556 -10.780
62 HE3 LYS 8 HE3 LYS 8 3.730 -5.654 -12.300
63 HZ1 LYS 8 HZ1 LYS 8 3.221 -7.768 -13.401
64 HZ2 LYS 8 HZ2 LYS 8 2.142 -7.451 -12.137
65 HZ3 LYS 8 HZ3 LYS 8 3.378 -8.589 -11.930
66 H SER 9 H SER 9 9.028 -6.006 -13.027
67 HA SER 9 HA SER 9 11.816 -6.941 -13.561
68 HB2 SER 9 HB2 SER 9 11.955 -4.483 -14.516
69 HB3 SER 9 HB3 SER 9 11.194 -5.774 -15.477
70 HG SER 9 HG SER 9 9.914 -3.849 -15.396
71 H CYS 10 H CYS 10 13.371 -6.471 -12.167
72 HA CYS 10 HA CYS 10 13.026 -4.102 -10.405
73 HB2 CYS 10 HB2 CYS 10 13.537 -5.323 -8.402
74 HB3 CYS 10 HB3 CYS 10 12.210 -6.181 -9.214
75 H VAL 11 H VAL 11 15.084 -3.675 -9.129
76 HA VAL 11 HA VAL 11 17.409 -4.284 -10.913
77 HB VAL 11 HB VAL 11 18.384 -2.153 -9.850
78 HG11 VAL 11 HG11 VAL 11 17.834 -2.059 -12.129
79 HG12 VAL 11 HG12 VAL 11 16.087 -2.193 -11.808
80 HG13 VAL 11 HG13 VAL 11 16.955 -0.689 -11.413
81 HG21 VAL 11 HG21 VAL 11 15.650 -1.106 -9.480
82 HG22 VAL 11 HG22 VAL 11 16.176 -2.278 -8.248
83 HG23 VAL 11 HG23 VAL 11 17.135 -0.807 -8.543
84 HA PRO 12 HA PRO 12 19.545 -6.172 -7.566
85 HB2 PRO 12 HB2 PRO 12 22.115 -5.413 -8.073
86 HB3 PRO 12 HB3 PRO 12 21.243 -6.614 -9.060
87 HG2 PRO 12 HG2 PRO 12 21.715 -3.686 -9.585
88 HG3 PRO 12 HG3 PRO 12 21.828 -5.072 -10.713
89 HD2 PRO 12 HD2 PRO 12 19.666 -3.421 -10.625
90 HD3 PRO 12 HD3 PRO 12 19.539 -5.162 -11.034
91 H GLY 13 H GLY 13 19.973 -5.756 -5.476
92 HA2 GLY 13 HA2 GLY 13 20.958 -4.497 -3.700
93 HA3 GLY 13 HA3 GLY 13 21.061 -3.082 -4.765
94 H LYS 14 H LYS 14 18.240 -3.488 -5.670
95 HA LYS 14 HA LYS 14 17.032 -1.927 -3.506
96 HB2 LYS 14 HB2 LYS 14 16.288 -2.698 -6.309
97 HB3 LYS 14 HB3 LYS 14 14.991 -2.207 -5.201
98 HG2 LYS 14 HG2 LYS 14 15.785 -0.324 -6.532
99 HG3 LYS 14 HG3 LYS 14 16.127 -0.077 -4.801
100 HD2 LYS 14 HD2 LYS 14 18.434 -0.602 -5.092
101 HD3 LYS 14 HD3 LYS 14 18.155 -1.209 -6.743
102 HE2 LYS 14 HE2 LYS 14 17.682 0.994 -7.553
103 HE3 LYS 14 HE3 LYS 14 17.654 1.657 -5.901
104 HZ1 LYS 14 HZ1 LYS 14 19.957 0.856 -7.548
105 HZ2 LYS 14 HZ2 LYS 14 20.084 0.751 -5.865
106 HZ3 LYS 14 HZ3 LYS 14 19.742 2.238 -6.596
107 H ASN 15 H ASN 15 16.281 -5.009 -5.189
108 HA ASN 15 HA ASN 15 15.141 -6.866 -4.467
109 HB2 ASN 15 HB2 ASN 15 16.792 -6.428 -2.466
110 HB3 ASN 15 HB3 ASN 15 15.317 -5.945 -1.599
111 HD21 ASN 15 HD21 ASN 15 16.205 -8.518 -3.921
112 HD22 ASN 15 HD22 ASN 15 15.553 -9.861 -2.919
113 H GLU 16 H GLU 16 13.589 -4.794 -5.349
114 HA GLU 16 HA GLU 16 11.556 -3.949 -3.545
115 HB2 GLU 16 HB2 GLU 16 11.625 -4.307 -6.553
116 HB3 GLU 16 HB3 GLU 16 10.188 -3.697 -5.710
117 HG2 GLU 16 HG2 GLU 16 11.809 -1.961 -4.680
118 HG3 GLU 16 HG3 GLU 16 12.897 -2.430 -6.006
119 H CYS 17 H CYS 17 12.106 -6.970 -5.190
120 HA CYS 17 HA CYS 17 9.524 -8.042 -5.325
121 HB2 CYS 17 HB2 CYS 17 12.053 -9.513 -4.487
122 HB3 CYS 17 HB3 CYS 17 10.585 -10.245 -5.171
123 H CYS 18 H CYS 18 8.384 -9.545 -3.955
124 HA CYS 18 HA CYS 18 8.094 -8.546 -1.288
125 HB2 CYS 18 HB2 CYS 18 7.115 -11.153 -2.516
126 HB3 CYS 18 HB3 CYS 18 6.551 -10.465 -0.978
127 H SER 19 H SER 19 8.236 -9.851 0.707
128 HA SER 19 HA SER 19 10.874 -10.685 1.196
129 HB2 SER 19 HB2 SER 19 9.670 -10.160 3.123
130 HB3 SER 19 HB3 SER 19 8.250 -11.107 2.617
131 HG SER 19 HG SER 19 9.443 -12.125 4.317
132 H GLY 20 H GLY 20 12.022 -12.465 0.832
133 HA2 GLY 20 HA2 GLY 20 12.193 -14.892 0.840
134 HA3 GLY 20 HA3 GLY 20 10.511 -14.988 0.284
135 H TYR 21 H TYR 21 11.212 -12.649 -1.604
136 HA TYR 21 HA TYR 21 12.202 -14.443 -3.753
137 HB2 TYR 21 HB2 TYR 21 10.815 -11.738 -3.815
138 HB3 TYR 21 HB3 TYR 21 11.405 -12.582 -5.263
139 HD1 TYR 21 HD2 TYR 21 9.204 -13.162 -2.289
140 HD2 TYR 21 HD1 TYR 21 9.948 -13.972 -6.397
141 HE1 TYR 21 HE2 TYR 21 7.085 -14.403 -2.421
142 HE2 TYR 21 HE1 TYR 21 7.831 -15.216 -6.542
143 HH TYR 21 HH TYR 21 5.802 -15.741 -3.664
144 H ALA 22 H ALA 22 13.918 -13.937 -5.102
145 HA ALA 22 HA ALA 22 15.751 -11.860 -3.976
146 HB1 ALA 22 HB1 ALA 22 16.212 -14.549 -4.361
147 HB2 ALA 22 HB2 ALA 22 16.940 -13.816 -5.811
148 HB3 ALA 22 HB3 ALA 22 17.462 -13.293 -4.192
149 H CYS 23 H CYS 23 17.305 -10.925 -5.608
150 HA CYS 23 HA CYS 23 15.807 -10.381 -8.141
151 HB2 CYS 23 HB2 CYS 23 17.132 -8.608 -6.176
152 HB3 CYS 23 HB3 CYS 23 17.529 -8.256 -7.871
153 H SER 24 H SER 24 16.819 -10.614 -10.050
154 HA SER 24 HA SER 24 19.687 -11.456 -9.912
155 HB2 SER 24 HB2 SER 24 17.463 -12.819 -10.961
156 HB3 SER 24 HB3 SER 24 18.320 -12.182 -12.386
157 HG SER 24 HG SER 24 19.187 -14.193 -11.847
158 H SER 25 H SER 25 20.990 -9.869 -10.517
159 HA SER 25 HA SER 25 20.099 -7.698 -12.206
160 HB2 SER 25 HB2 SER 25 22.153 -6.728 -11.757
161 HB3 SER 25 HB3 SER 25 22.038 -7.859 -10.387
162 HG SER 25 HG SER 25 24.081 -7.968 -11.464
163 H ARG 26 H ARG 26 21.045 -10.862 -12.876
164 HA ARG 26 HA ARG 26 22.550 -10.463 -15.285
165 HB2 ARG 26 HB2 ARG 26 21.904 -12.622 -13.747
166 HB3 ARG 26 HB3 ARG 26 20.806 -12.860 -15.122
167 HG2 ARG 26 HG2 ARG 26 22.815 -12.613 -16.631
168 HG3 ARG 26 HG3 ARG 26 23.823 -12.674 -15.163
169 HD2 ARG 26 HD2 ARG 26 23.759 -14.898 -15.258
170 HD3 ARG 26 HD3 ARG 26 22.001 -14.827 -14.979
171 HE ARG 26 HE ARG 26 22.657 -14.365 -17.753
172 HH11 ARG 26 HH11 ARG 26 22.315 -16.859 -15.277
173 HH12 ARG 26 HH12 ARG 26 21.927 -18.132 -16.440
174 HH21 ARG 26 HH21 ARG 26 22.158 -16.013 -19.249
175 HH22 ARG 26 HH22 ARG 26 21.840 -17.656 -18.679
176 H ASP 27 H ASP 27 19.073 -11.065 -14.677
177 HA ASP 27 HA ASP 27 18.573 -10.171 -17.490
178 HB2 ASP 27 HB2 ASP 27 17.621 -12.470 -15.989
179 HB3 ASP 27 HB3 ASP 27 16.257 -11.464 -16.523
180 H LYS 28 H LYS 28 18.484 -9.168 -14.357
181 HA LYS 28 HA LYS 28 17.397 -7.468 -13.264
182 HB2 LYS 28 HB2 LYS 28 16.913 -6.760 -16.155
183 HB3 LYS 28 HB3 LYS 28 16.149 -5.801 -14.872
184 HG2 LYS 28 HG2 LYS 28 18.121 -4.651 -15.359
185 HG3 LYS 28 HG3 LYS 28 18.511 -5.576 -13.888
186 HD2 LYS 28 HD2 LYS 28 19.565 -7.318 -15.293
187 HD3 LYS 28 HD3 LYS 28 19.214 -6.341 -16.740
188 HE2 LYS 28 HE2 LYS 28 20.527 -4.469 -15.591
189 HE3 LYS 28 HE3 LYS 28 21.087 -5.716 -14.451
190 HZ1 LYS 28 HZ1 LYS 28 22.137 -6.892 -16.192
191 HZ2 LYS 28 HZ2 LYS 28 22.578 -5.273 -16.403
192 HZ3 LYS 28 HZ3 LYS 28 21.397 -5.964 -17.397
193 H TRP 29 H TRP 29 16.078 -9.743 -12.978
194 HA TRP 29 HA TRP 29 13.242 -8.849 -13.116
195 HB2 TRP 29 HB2 TRP 29 12.584 -11.227 -13.653
196 HB3 TRP 29 HB3 TRP 29 13.424 -10.374 -14.967
197 HD1 TRP 29 HD1 TRP 29 15.706 -11.607 -12.244
198 HE1 TRP 29 HE1 TRP 29 17.044 -13.678 -13.057
199 HE3 TRP 29 HE3 TRP 29 13.115 -12.528 -16.554
200 HZ2 TRP 29 HZ2 TRP 29 16.954 -15.438 -15.269
201 HZ3 TRP 29 HZ3 TRP 29 13.804 -14.424 -17.963
202 HH2 TRP 29 HH2 TRP 29 15.685 -15.848 -17.332
203 H CYS 30 H CYS 30 11.937 -10.820 -11.890
204 HA CYS 30 HA CYS 30 13.157 -10.759 -9.188
205 HB2 CYS 30 HB2 CYS 30 10.393 -11.002 -10.294
206 HB3 CYS 30 HB3 CYS 30 10.721 -11.840 -8.761
207 H LYS 31 H LYS 31 12.844 -12.695 -7.780
208 HA LYS 31 HA LYS 31 12.904 -15.247 -9.299
209 HB2 LYS 31 HB2 LYS 31 15.033 -14.505 -7.261
210 HB3 LYS 31 HB3 LYS 31 14.942 -15.994 -8.222
211 HG2 LYS 31 HG2 LYS 31 15.300 -13.223 -9.389
212 HG3 LYS 31 HG3 LYS 31 16.628 -14.357 -9.036
213 HD2 LYS 31 HD2 LYS 31 14.455 -15.549 -10.609
214 HD3 LYS 31 HD3 LYS 31 15.247 -14.174 -11.419
215 HE2 LYS 31 HE2 LYS 31 17.302 -15.232 -11.498
216 HE3 LYS 31 HE3 LYS 31 16.930 -16.289 -10.117
217 HZ1 LYS 31 HZ1 LYS 31 16.787 -17.722 -11.894
218 HZ2 LYS 31 HZ2 LYS 31 16.131 -16.568 -12.942
219 HZ3 LYS 31 HZ3 LYS 31 15.168 -17.256 -11.733
220 H VAL 32 H VAL 32 12.464 -17.115 -8.046
221 HA VAL 32 HA VAL 32 11.464 -16.535 -5.291
222 HB VAL 32 HB VAL 32 9.528 -16.582 -6.817
223 HG11 VAL 32 HG11 VAL 32 10.941 -18.517 -8.184
224 HG12 VAL 32 HG12 VAL 32 9.659 -19.456 -7.383
225 HG13 VAL 32 HG13 VAL 32 9.233 -18.094 -8.446
226 HG21 VAL 32 HG21 VAL 32 8.182 -18.040 -5.532
227 HG22 VAL 32 HG22 VAL 32 9.541 -19.141 -5.205
228 HG23 VAL 32 HG23 VAL 32 9.498 -17.532 -4.444
229 H LEU 33 H LEU 33 12.101 -17.939 -3.787
230 HA LEU 33 HA LEU 33 13.956 -20.022 -4.478
231 HB2 LEU 33 HB2 LEU 33 12.443 -19.631 -1.881
232 HB3 LEU 33 HB3 LEU 33 13.942 -20.560 -2.114
233 HG LEU 33 HG LEU 33 13.880 -17.615 -2.721
234 HD11 LEU 33 HD11 LEU 33 13.952 -16.956 -0.563
235 HD12 LEU 33 HD12 LEU 33 14.791 -18.430 -0.027
236 HD13 LEU 33 HD13 LEU 33 13.031 -18.456 -0.292
237 HD21 LEU 33 HD21 LEU 33 16.148 -19.090 -1.454
238 HD22 LEU 33 HD22 LEU 33 16.163 -17.754 -2.629
239 HD23 LEU 33 HD23 LEU 33 15.788 -19.408 -3.167
240 H LEU 34 H LEU 34 13.559 -21.969 -5.256
241 HA LEU 34 HA LEU 34 10.906 -23.020 -5.487
242 HB2 LEU 34 HB2 LEU 34 13.681 -24.045 -5.958
243 HB3 LEU 34 HB3 LEU 34 12.339 -25.211 -5.916
244 HG LEU 34 HG LEU 34 12.226 -22.798 -7.717
245 HD11 LEU 34 HD11 LEU 34 13.021 -25.004 -9.261
246 HD12 LEU 34 HD12 LEU 34 14.133 -24.964 -7.872
247 HD13 LEU 34 HD13 LEU 34 13.955 -23.529 -8.910
248 HD21 LEU 34 HD21 LEU 34 10.580 -23.972 -8.852
249 HD22 LEU 34 HD22 LEU 34 10.277 -24.438 -7.162
250 HD23 LEU 34 HD23 LEU 34 11.141 -25.550 -8.249
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