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 |
|
|
619750 |
5l1c   |
30149 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 1 H MET 1 1.808 0.000 0.855
2 HA MET 1 HA MET 1 1.411 -0.221 -2.050
3 HB2 MET 1 HB2 MET 1 3.306 1.337 -2.387
4 HB3 MET 1 HB3 MET 1 1.930 2.101 -1.603
5 HG2 MET 1 HG2 MET 1 3.523 2.906 -0.240
6 HG3 MET 1 HG3 MET 1 3.305 1.353 0.564
7 HE1 MET 1 HE1 MET 1 7.091 3.040 -0.299
8 HE2 MET 1 HE2 MET 1 6.073 3.463 -1.676
9 HE3 MET 1 HE3 MET 1 5.494 3.742 -0.032
10 H CYS 2 H CYS 2 2.750 -1.606 -3.089
11 HA CYS 2 HA CYS 2 4.372 -3.353 -1.469
12 HB2 CYS 2 HB2 CYS 2 2.906 -4.118 -3.380
13 HB3 CYS 2 HB3 CYS 2 4.071 -3.380 -4.475
14 H MET 3 H MET 3 4.888 -0.843 -3.873
15 HA MET 3 HA MET 3 7.593 -0.473 -2.996
16 HB2 MET 3 HB2 MET 3 8.765 -1.066 -4.942
17 HB3 MET 3 HB3 MET 3 7.659 -2.407 -4.675
18 HG2 MET 3 HG2 MET 3 6.144 -1.509 -6.355
19 HG3 MET 3 HG3 MET 3 7.229 -0.144 -6.610
20 HE1 MET 3 HE1 MET 3 10.305 -1.577 -8.225
21 HE2 MET 3 HE2 MET 3 9.714 -0.527 -6.936
22 HE3 MET 3 HE3 MET 3 10.245 -2.168 -6.564
23 HA PRO 4 HA PRO 4 6.778 3.629 -4.327
24 HB2 PRO 4 HB2 PRO 4 9.283 4.514 -4.888
25 HB3 PRO 4 HB3 PRO 4 8.708 4.240 -3.239
26 HG2 PRO 4 HG2 PRO 4 10.398 2.479 -4.972
27 HG3 PRO 4 HG3 PRO 4 10.579 2.860 -3.250
28 HD2 PRO 4 HD2 PRO 4 9.473 0.548 -4.122
29 HD3 PRO 4 HD3 PRO 4 8.968 1.339 -2.615
30 H CYS 5 H CYS 5 5.964 4.376 -6.175
31 HA CYS 5 HA CYS 5 7.086 3.404 -8.709
32 HB2 CYS 5 HB2 CYS 5 4.513 3.335 -7.878
33 HB3 CYS 5 HB3 CYS 5 4.523 4.886 -8.712
34 H PHE 6 H PHE 6 6.833 5.010 -10.567
35 HA PHE 6 HA PHE 6 7.216 7.787 -9.763
36 HB2 PHE 6 HB2 PHE 6 9.284 6.128 -11.199
37 HB3 PHE 6 HB3 PHE 6 9.264 7.886 -11.290
38 HD1 PHE 6 HD1 PHE 6 10.109 9.210 -9.536
39 HD2 PHE 6 HD2 PHE 6 9.606 5.019 -8.989
40 HE1 PHE 6 HE1 PHE 6 11.384 9.334 -7.435
41 HE2 PHE 6 HE2 PHE 6 10.879 5.137 -6.887
42 HZ PHE 6 HZ PHE 6 11.770 7.296 -6.107
43 H THR 7 H THR 7 5.739 8.808 -10.938
44 HA THR 7 HA THR 7 4.573 7.866 -13.298
45 HB THR 7 HB THR 7 3.618 10.094 -13.569
46 HG1 THR 7 HG1 THR 7 5.456 10.840 -11.518
47 HG21 THR 7 HG21 THR 7 2.802 8.511 -11.767
48 HG22 THR 7 HG22 THR 7 2.399 10.212 -11.535
49 HG23 THR 7 HG23 THR 7 3.720 9.486 -10.620
50 H THR 8 H THR 8 7.355 9.948 -12.769
51 HA THR 8 HA THR 8 7.653 10.730 -15.496
52 HB THR 8 HB THR 8 8.626 12.122 -13.784
53 HG1 THR 8 HG1 THR 8 9.766 12.056 -15.764
54 HG21 THR 8 HG21 THR 8 10.715 11.214 -12.593
55 HG22 THR 8 HG22 THR 8 10.103 9.618 -13.027
56 HG23 THR 8 HG23 THR 8 9.139 10.685 -12.006
57 H ASP 9 H ASP 9 8.544 7.945 -13.671
58 HA ASP 9 HA ASP 9 10.542 7.082 -15.600
59 HB2 ASP 9 HB2 ASP 9 9.449 5.692 -13.143
60 HB3 ASP 9 HB3 ASP 9 10.797 5.123 -14.124
61 H HIS 10 H HIS 10 10.216 5.655 -17.200
62 HA HIS 10 HA HIS 10 7.488 4.704 -17.627
63 HB2 HIS 10 HB2 HIS 10 9.870 4.603 -19.489
64 HB3 HIS 10 HB3 HIS 10 8.201 4.236 -19.912
65 HD1 HIS 10 HD1 HIS 10 7.385 6.902 -18.050
66 HD2 HIS 10 HD2 HIS 10 9.694 6.654 -21.495
67 HE1 HIS 10 HE1 HIS 10 7.317 9.199 -19.072
68 H GLN 11 H GLN 11 10.753 3.501 -17.143
69 HA GLN 11 HA GLN 11 10.001 0.750 -17.566
70 HB2 GLN 11 HB2 GLN 11 12.329 0.281 -16.777
71 HB3 GLN 11 HB3 GLN 11 12.239 1.367 -18.158
72 HG2 GLN 11 HG2 GLN 11 12.885 3.205 -16.928
73 HG3 GLN 11 HG3 GLN 11 12.379 2.489 -15.399
74 HE21 GLN 11 HE21 GLN 11 14.796 3.662 -15.529
75 HE22 GLN 11 HE22 GLN 11 16.052 2.477 -15.491
76 H MET 12 H MET 12 9.841 2.954 -14.996
77 HA MET 12 HA MET 12 10.272 1.262 -12.788
78 HB2 MET 12 HB2 MET 12 10.210 3.695 -12.575
79 HB3 MET 12 HB3 MET 12 8.511 3.708 -13.028
80 HG2 MET 12 HG2 MET 12 8.503 3.931 -10.712
81 HG3 MET 12 HG3 MET 12 8.124 2.233 -10.993
82 HE1 MET 12 HE1 MET 12 10.432 0.527 -8.714
83 HE2 MET 12 HE2 MET 12 8.806 1.209 -8.683
84 HE3 MET 12 HE3 MET 12 9.360 0.315 -10.099
85 H ALA 13 H ALA 13 7.374 2.008 -14.670
86 HA ALA 13 HA ALA 13 5.430 0.809 -13.123
87 HB1 ALA 13 HB1 ALA 13 5.125 0.279 -15.985
88 HB2 ALA 13 HB2 ALA 13 4.085 1.176 -14.876
89 HB3 ALA 13 HB3 ALA 13 5.493 1.960 -15.594
90 H ARG 14 H ARG 14 7.779 -0.686 -15.269
91 HA ARG 14 HA ARG 14 6.740 -3.228 -15.530
92 HB2 ARG 14 HB2 ARG 14 8.924 -2.176 -16.476
93 HB3 ARG 14 HB3 ARG 14 9.669 -2.822 -15.020
94 HG2 ARG 14 HG2 ARG 14 9.478 -4.978 -15.707
95 HG3 ARG 14 HG3 ARG 14 8.011 -4.668 -16.638
96 HD2 ARG 14 HD2 ARG 14 9.502 -4.975 -18.342
97 HD3 ARG 14 HD3 ARG 14 9.659 -3.234 -18.111
98 HE ARG 14 HE ARG 14 11.808 -3.560 -17.397
99 HH11 ARG 14 HH11 ARG 14 10.111 -6.600 -17.326
100 HH12 ARG 14 HH12 ARG 14 11.528 -7.531 -16.972
101 HH21 ARG 14 HH21 ARG 14 13.680 -4.776 -16.930
102 HH22 ARG 14 HH22 ARG 14 13.558 -6.493 -16.746
103 H LYS 15 H LYS 15 8.865 -2.021 -12.941
104 HA LYS 15 HA LYS 15 8.813 -4.437 -11.449
105 HB2 LYS 15 HB2 LYS 15 9.487 -1.614 -10.602
106 HB3 LYS 15 HB3 LYS 15 9.766 -3.045 -9.619
107 HG2 LYS 15 HG2 LYS 15 11.472 -3.809 -10.980
108 HG3 LYS 15 HG3 LYS 15 10.931 -2.856 -12.364
109 HD2 LYS 15 HD2 LYS 15 11.840 -1.464 -9.882
110 HD3 LYS 15 HD3 LYS 15 13.039 -2.125 -10.996
111 HE2 LYS 15 HE2 LYS 15 11.326 -0.826 -12.688
112 HE3 LYS 15 HE3 LYS 15 11.301 0.214 -11.266
113 HZ1 LYS 15 HZ1 LYS 15 13.103 1.072 -12.299
114 HZ2 LYS 15 HZ2 LYS 15 13.487 -0.364 -13.105
115 HZ3 LYS 15 HZ3 LYS 15 13.897 -0.174 -11.475
116 H CYS 16 H CYS 16 6.961 -1.431 -11.287
117 HA CYS 16 HA CYS 16 5.592 -1.777 -8.926
118 HB2 CYS 16 HB2 CYS 16 5.276 0.263 -10.078
119 HB3 CYS 16 HB3 CYS 16 4.748 -0.554 -11.546
120 H ASP 17 H ASP 17 4.900 -3.201 -12.083
121 HA ASP 17 HA ASP 17 2.486 -4.481 -11.228
122 HB2 ASP 17 HB2 ASP 17 4.182 -5.192 -13.626
123 HB3 ASP 17 HB3 ASP 17 2.467 -5.522 -13.391
124 H ASP 18 H ASP 18 5.864 -5.416 -11.508
125 HA ASP 18 HA ASP 18 5.538 -8.184 -11.115
126 HB2 ASP 18 HB2 ASP 18 7.635 -6.797 -11.833
127 HB3 ASP 18 HB3 ASP 18 7.949 -6.715 -10.102
128 H CYS 19 H CYS 19 6.283 -5.585 -8.800
129 HA CYS 19 HA CYS 19 6.465 -7.108 -6.494
130 HB2 CYS 19 HB2 CYS 19 6.798 -4.537 -6.922
131 HB3 CYS 19 HB3 CYS 19 5.118 -4.435 -6.404
132 H CYS 20 H CYS 20 3.619 -5.949 -8.192
133 HA CYS 20 HA CYS 20 1.749 -6.626 -6.155
134 HB2 CYS 20 HB2 CYS 20 1.386 -6.177 -9.123
135 HB3 CYS 20 HB3 CYS 20 0.061 -6.382 -7.983
136 H GLY 21 H GLY 21 3.304 -8.387 -8.714
137 HA2 GLY 21 HA2 GLY 21 2.857 -10.906 -7.748
138 HA3 GLY 21 HA3 GLY 21 1.445 -10.575 -8.740
139 H GLY 22 H GLY 22 1.944 -9.790 -11.002
140 HA2 GLY 22 HA2 GLY 22 4.497 -10.729 -12.054
141 HA3 GLY 22 HA3 GLY 22 3.065 -11.592 -12.595
142 H LYS 23 H LYS 23 4.524 -10.489 -14.517
143 HA LYS 23 HA LYS 23 4.170 -7.840 -15.208
144 HB2 LYS 23 HB2 LYS 23 5.580 -9.520 -16.420
145 HB3 LYS 23 HB3 LYS 23 4.110 -10.165 -17.138
146 HG2 LYS 23 HG2 LYS 23 3.678 -7.992 -18.186
147 HG3 LYS 23 HG3 LYS 23 5.173 -7.368 -17.485
148 HD2 LYS 23 HD2 LYS 23 6.504 -8.580 -18.903
149 HD3 LYS 23 HD3 LYS 23 5.306 -9.860 -19.108
150 HE2 LYS 23 HE2 LYS 23 5.279 -8.799 -21.169
151 HE3 LYS 23 HE3 LYS 23 3.926 -8.045 -20.327
152 HZ1 LYS 23 HZ1 LYS 23 6.207 -6.562 -19.738
153 HZ2 LYS 23 HZ2 LYS 23 4.877 -6.093 -20.672
154 HZ3 LYS 23 HZ3 LYS 23 6.212 -6.822 -21.410
155 H GLY 24 H GLY 24 2.401 -6.657 -15.476
156 HA2 GLY 24 HA2 GLY 24 0.405 -6.178 -16.721
157 HA3 GLY 24 HA3 GLY 24 0.058 -7.901 -16.752
158 H ARG 25 H ARG 25 0.876 -7.937 -13.801
159 HA ARG 25 HA ARG 25 -1.791 -7.298 -12.807
160 HB2 ARG 25 HB2 ARG 25 0.401 -8.620 -11.227
161 HB3 ARG 25 HB3 ARG 25 -1.338 -8.734 -10.995
162 HG2 ARG 25 HG2 ARG 25 -1.167 -9.768 -13.454
163 HG3 ARG 25 HG3 ARG 25 0.432 -10.201 -12.845
164 HD2 ARG 25 HD2 ARG 25 -0.688 -11.187 -10.840
165 HD3 ARG 25 HD3 ARG 25 -2.237 -10.898 -11.632
166 HE ARG 25 HE ARG 25 -0.327 -12.966 -12.245
167 HH11 ARG 25 HH11 ARG 25 -3.005 -11.076 -13.419
168 HH12 ARG 25 HH12 ARG 25 -3.473 -12.241 -14.613
169 HH21 ARG 25 HH21 ARG 25 -0.934 -14.508 -13.813
170 HH22 ARG 25 HH22 ARG 25 -2.295 -14.193 -14.836
171 H GLY 26 H GLY 26 -2.180 -5.440 -11.810
172 HA2 GLY 26 HA2 GLY 26 -1.636 -4.058 -9.851
173 HA3 GLY 26 HA3 GLY 26 0.045 -4.149 -10.355
174 H LYS 27 H LYS 27 -0.616 -1.709 -9.942
175 HA LYS 27 HA LYS 27 -0.672 -0.507 -12.562
176 HB2 LYS 27 HB2 LYS 27 -3.117 -0.820 -11.396
177 HB3 LYS 27 HB3 LYS 27 -2.658 0.769 -10.797
178 HG2 LYS 27 HG2 LYS 27 -2.822 1.737 -12.830
179 HG3 LYS 27 HG3 LYS 27 -2.268 0.295 -13.684
180 HD2 LYS 27 HD2 LYS 27 -4.951 0.360 -12.347
181 HD3 LYS 27 HD3 LYS 27 -4.726 1.035 -13.963
182 HE2 LYS 27 HE2 LYS 27 -3.650 -1.225 -14.535
183 HE3 LYS 27 HE3 LYS 27 -4.390 -1.803 -13.044
184 HZ1 LYS 27 HZ1 LYS 27 -5.748 -0.748 -15.455
185 HZ2 LYS 27 HZ2 LYS 27 -6.543 -0.936 -13.974
186 HZ3 LYS 27 HZ3 LYS 27 -5.898 -2.285 -14.764
187 H CYS 28 H CYS 28 0.024 1.677 -12.563
188 HA CYS 28 HA CYS 28 1.414 2.438 -10.088
189 HB2 CYS 28 HB2 CYS 28 2.788 2.074 -12.144
190 HB3 CYS 28 HB3 CYS 28 1.934 3.414 -12.903
191 H TYR 29 H TYR 29 0.263 3.833 -8.921
192 HA TYR 29 HA TYR 29 -0.976 6.112 -10.317
193 HB2 TYR 29 HB2 TYR 29 -2.059 4.504 -8.004
194 HB3 TYR 29 HB3 TYR 29 -2.681 6.094 -8.434
195 HD1 TYR 29 HD1 TYR 29 -3.232 2.695 -8.805
196 HD2 TYR 29 HD2 TYR 29 -3.226 6.293 -11.077
197 HE1 TYR 29 HE1 TYR 29 -4.737 1.653 -10.448
198 HE2 TYR 29 HE2 TYR 29 -4.732 5.262 -12.725
199 HH TYR 29 HH TYR 29 -6.477 2.539 -12.171
200 H GLY 30 H GLY 30 0.306 7.795 -9.883
201 HA2 GLY 30 HA2 GLY 30 1.198 9.501 -8.603
202 HA3 GLY 30 HA3 GLY 30 0.594 8.687 -7.167
203 HA PRO 31 HA PRO 31 5.183 8.387 -7.015
204 HB2 PRO 31 HB2 PRO 31 5.334 8.772 -4.332
205 HB3 PRO 31 HB3 PRO 31 5.264 10.105 -5.491
206 HG2 PRO 31 HG2 PRO 31 3.070 8.915 -3.838
207 HG3 PRO 31 HG3 PRO 31 3.423 10.622 -4.168
208 HD2 PRO 31 HD2 PRO 31 1.485 9.255 -5.476
209 HD3 PRO 31 HD3 PRO 31 2.416 10.559 -6.241
210 H GLN 32 H GLN 32 2.564 6.783 -5.405
211 HA GLN 32 HA GLN 32 4.349 4.560 -4.673
212 HB2 GLN 32 HB2 GLN 32 1.589 5.201 -3.617
213 HB3 GLN 32 HB3 GLN 32 2.602 3.861 -3.098
214 HG2 GLN 32 HG2 GLN 32 4.037 5.215 -1.929
215 HG3 GLN 32 HG3 GLN 32 3.659 6.636 -2.900
216 HE21 GLN 32 HE21 GLN 32 1.633 4.350 -1.100
217 HE22 GLN 32 HE22 GLN 32 0.859 5.542 -0.119
218 H CYS 33 H CYS 33 3.764 2.436 -5.202
219 HA CYS 33 HA CYS 33 2.135 2.237 -7.602
220 HB2 CYS 33 HB2 CYS 33 4.256 1.136 -7.726
221 HB3 CYS 33 HB3 CYS 33 3.979 0.298 -6.203
222 H LEU 34 H LEU 34 0.060 1.723 -7.511
223 HA LEU 34 HA LEU 34 -0.937 0.261 -5.163
224 HB2 LEU 34 HB2 LEU 34 -2.615 1.760 -7.152
225 HB3 LEU 34 HB3 LEU 34 -3.049 1.243 -5.523
226 HG LEU 34 HG LEU 34 -1.093 3.434 -6.221
227 HD11 LEU 34 HD11 LEU 34 -3.623 3.777 -6.581
228 HD12 LEU 34 HD12 LEU 34 -2.726 4.980 -5.655
229 HD13 LEU 34 HD13 LEU 34 -3.714 3.782 -4.819
230 HD21 LEU 34 HD21 LEU 34 -0.633 2.112 -4.120
231 HD22 LEU 34 HD22 LEU 34 -2.179 2.704 -3.510
232 HD23 LEU 34 HD23 LEU 34 -0.888 3.843 -3.899
233 H CYS 35 H CYS 35 -1.381 -1.814 -5.438
234 HA CYS 35 HA CYS 35 -1.521 -2.987 -8.056
235 HB2 CYS 35 HB2 CYS 35 -2.072 -4.284 -5.381
236 HB3 CYS 35 HB3 CYS 35 -1.707 -5.105 -6.895
237 H ARG 36 H ARG 36 -3.280 -3.193 -9.259
238 HA ARG 36 HA ARG 36 -5.796 -2.269 -8.603
239 HB2 ARG 36 HB2 ARG 36 -6.596 -3.713 -10.522
240 HB3 ARG 36 HB3 ARG 36 -5.283 -2.605 -10.895
241 HG2 ARG 36 HG2 ARG 36 -3.970 -4.269 -11.539
242 HG3 ARG 36 HG3 ARG 36 -4.249 -5.149 -10.035
243 HD2 ARG 36 HD2 ARG 36 -4.942 -6.416 -12.040
244 HD3 ARG 36 HD3 ARG 36 -6.271 -6.113 -10.922
245 HE ARG 36 HE ARG 36 -6.044 -4.154 -13.014
246 HH11 ARG 36 HH11 ARG 36 -7.367 -7.245 -12.113
247 HH12 ARG 36 HH12 ARG 36 -8.653 -7.179 -13.272
248 HH21 ARG 36 HH21 ARG 36 -7.733 -4.055 -14.544
249 HH22 ARG 36 HH22 ARG 36 -8.859 -5.365 -14.655
Start of MODEL 2
1 H MET 1 H MET 1 1.037 0.592 0.019
2 HA MET 1 HA MET 1 1.868 0.030 -2.410
3 HB2 MET 1 HB2 MET 1 3.803 1.670 -2.097
4 HB3 MET 1 HB3 MET 1 2.191 2.250 -1.697
5 HG2 MET 1 HG2 MET 1 2.633 2.377 0.527
6 HG3 MET 1 HG3 MET 1 3.798 1.056 0.486
7 HE1 MET 1 HE1 MET 1 6.222 2.121 -1.679
8 HE2 MET 1 HE2 MET 1 7.089 2.473 -0.184
9 HE3 MET 1 HE3 MET 1 5.996 1.090 -0.264
10 H CYS 2 H CYS 2 2.626 -2.002 -2.848
11 HA CYS 2 HA CYS 2 4.557 -3.442 -1.502
12 HB2 CYS 2 HB2 CYS 2 3.090 -4.247 -3.394
13 HB3 CYS 2 HB3 CYS 2 4.211 -3.462 -4.503
14 H MET 3 H MET 3 4.958 -0.908 -3.904
15 HA MET 3 HA MET 3 7.658 -0.449 -3.059
16 HB2 MET 3 HB2 MET 3 8.831 -1.012 -5.009
17 HB3 MET 3 HB3 MET 3 7.759 -2.381 -4.747
18 HG2 MET 3 HG2 MET 3 6.212 -1.500 -6.412
19 HG3 MET 3 HG3 MET 3 7.273 -0.116 -6.668
20 HE1 MET 3 HE1 MET 3 10.378 -1.528 -8.289
21 HE2 MET 3 HE2 MET 3 9.769 -0.458 -7.025
22 HE3 MET 3 HE3 MET 3 10.309 -2.088 -6.618
23 HA PRO 4 HA PRO 4 6.693 3.624 -4.381
24 HB2 PRO 4 HB2 PRO 4 9.160 4.592 -4.973
25 HB3 PRO 4 HB3 PRO 4 8.614 4.299 -3.317
26 HG2 PRO 4 HG2 PRO 4 10.340 2.594 -5.072
27 HG3 PRO 4 HG3 PRO 4 10.530 2.982 -3.352
28 HD2 PRO 4 HD2 PRO 4 9.490 0.634 -4.211
29 HD3 PRO 4 HD3 PRO 4 8.979 1.408 -2.698
30 H CYS 5 H CYS 5 5.832 4.345 -6.217
31 HA CYS 5 HA CYS 5 6.931 3.391 -8.766
32 HB2 CYS 5 HB2 CYS 5 4.374 3.303 -7.896
33 HB3 CYS 5 HB3 CYS 5 4.358 4.857 -8.726
34 H PHE 6 H PHE 6 6.631 4.991 -10.624
35 HA PHE 6 HA PHE 6 7.015 7.772 -9.834
36 HB2 PHE 6 HB2 PHE 6 9.070 6.106 -11.276
37 HB3 PHE 6 HB3 PHE 6 9.030 7.860 -11.425
38 HD1 PHE 6 HD1 PHE 6 9.912 9.245 -9.743
39 HD2 PHE 6 HD2 PHE 6 9.424 5.078 -9.026
40 HE1 PHE 6 HE1 PHE 6 11.225 9.451 -7.672
41 HE2 PHE 6 HE2 PHE 6 10.734 5.278 -6.954
42 HZ PHE 6 HZ PHE 6 11.636 7.466 -6.273
43 H THR 7 H THR 7 6.403 9.243 -11.376
44 HA THR 7 HA THR 7 4.833 8.184 -13.570
45 HB THR 7 HB THR 7 4.035 10.448 -13.895
46 HG1 THR 7 HG1 THR 7 4.906 12.162 -12.695
47 HG21 THR 7 HG21 THR 7 3.913 10.623 -11.018
48 HG22 THR 7 HG22 THR 7 3.701 8.955 -11.551
49 HG23 THR 7 HG23 THR 7 2.639 10.220 -12.169
50 H THR 8 H THR 8 7.771 10.059 -13.093
51 HA THR 8 HA THR 8 8.132 10.674 -15.866
52 HB THR 8 HB THR 8 9.115 12.094 -14.121
53 HG1 THR 8 HG1 THR 8 11.332 12.035 -15.054
54 HG21 THR 8 HG21 THR 8 11.342 10.245 -13.577
55 HG22 THR 8 HG22 THR 8 9.797 9.801 -12.849
56 HG23 THR 8 HG23 THR 8 10.516 11.373 -12.503
57 H ASP 9 H ASP 9 8.870 7.989 -13.834
58 HA ASP 9 HA ASP 9 10.901 6.913 -15.599
59 HB2 ASP 9 HB2 ASP 9 9.542 5.712 -13.176
60 HB3 ASP 9 HB3 ASP 9 10.896 4.989 -14.041
61 H HIS 10 H HIS 10 10.597 5.481 -17.192
62 HA HIS 10 HA HIS 10 7.858 4.655 -17.775
63 HB2 HIS 10 HB2 HIS 10 9.403 5.747 -19.495
64 HB3 HIS 10 HB3 HIS 10 10.273 4.217 -19.526
65 HD1 HIS 10 HD1 HIS 10 6.783 5.558 -20.176
66 HD2 HIS 10 HD2 HIS 10 9.225 2.363 -21.220
67 HE1 HIS 10 HE1 HIS 10 5.515 4.290 -21.938
68 H GLN 11 H GLN 11 11.023 3.304 -17.060
69 HA GLN 11 HA GLN 11 10.155 0.584 -17.463
70 HB2 GLN 11 HB2 GLN 11 12.389 -0.019 -16.639
71 HB3 GLN 11 HB3 GLN 11 12.473 1.189 -17.913
72 HG2 GLN 11 HG2 GLN 11 13.181 2.841 -16.496
73 HG3 GLN 11 HG3 GLN 11 12.441 2.096 -15.081
74 HE21 GLN 11 HE21 GLN 11 14.969 1.476 -17.488
75 HE22 GLN 11 HE22 GLN 11 16.093 0.774 -16.380
76 H MET 12 H MET 12 9.958 2.861 -14.960
77 HA MET 12 HA MET 12 10.167 1.204 -12.691
78 HB2 MET 12 HB2 MET 12 10.233 3.638 -12.531
79 HB3 MET 12 HB3 MET 12 8.570 3.740 -13.094
80 HG2 MET 12 HG2 MET 12 8.425 4.020 -10.790
81 HG3 MET 12 HG3 MET 12 7.970 2.340 -11.057
82 HE1 MET 12 HE1 MET 12 8.963 1.035 -8.460
83 HE2 MET 12 HE2 MET 12 8.694 0.588 -10.144
84 HE3 MET 12 HE3 MET 12 10.235 0.218 -9.369
85 H ALA 13 H ALA 13 7.438 2.052 -14.769
86 HA ALA 13 HA ALA 13 5.336 1.012 -13.315
87 HB1 ALA 13 HB1 ALA 13 4.524 0.385 -15.787
88 HB2 ALA 13 HB2 ALA 13 4.538 2.037 -15.169
89 HB3 ALA 13 HB3 ALA 13 5.858 1.467 -16.188
90 H ARG 14 H ARG 14 7.658 -0.683 -15.363
91 HA ARG 14 HA ARG 14 6.455 -3.179 -15.491
92 HB2 ARG 14 HB2 ARG 14 9.069 -2.073 -15.978
93 HB3 ARG 14 HB3 ARG 14 9.218 -3.642 -15.198
94 HG2 ARG 14 HG2 ARG 14 8.473 -4.757 -17.001
95 HG3 ARG 14 HG3 ARG 14 7.289 -3.515 -17.411
96 HD2 ARG 14 HD2 ARG 14 8.724 -2.406 -18.759
97 HD3 ARG 14 HD3 ARG 14 10.116 -2.748 -17.731
98 HE ARG 14 HE ARG 14 9.233 -5.105 -19.026
99 HH11 ARG 14 HH11 ARG 14 10.927 -2.120 -19.612
100 HH12 ARG 14 HH12 ARG 14 11.862 -2.757 -20.924
101 HH21 ARG 14 HH21 ARG 14 10.459 -5.956 -20.751
102 HH22 ARG 14 HH22 ARG 14 11.595 -4.938 -21.571
103 H LYS 15 H LYS 15 8.886 -2.083 -13.121
104 HA LYS 15 HA LYS 15 8.821 -4.366 -11.508
105 HB2 LYS 15 HB2 LYS 15 9.433 -1.507 -10.738
106 HB3 LYS 15 HB3 LYS 15 9.799 -2.915 -9.751
107 HG2 LYS 15 HG2 LYS 15 11.381 -3.714 -11.339
108 HG3 LYS 15 HG3 LYS 15 10.888 -2.503 -12.525
109 HD2 LYS 15 HD2 LYS 15 11.895 -1.621 -9.854
110 HD3 LYS 15 HD3 LYS 15 13.046 -2.149 -11.085
111 HE2 LYS 15 HE2 LYS 15 11.324 -0.455 -12.445
112 HE3 LYS 15 HE3 LYS 15 11.540 0.324 -10.879
113 HZ1 LYS 15 HZ1 LYS 15 13.989 0.016 -11.241
114 HZ2 LYS 15 HZ2 LYS 15 13.241 1.127 -12.275
115 HZ3 LYS 15 HZ3 LYS 15 13.635 -0.419 -12.837
116 H CYS 16 H CYS 16 6.926 -1.380 -11.355
117 HA CYS 16 HA CYS 16 5.611 -1.723 -8.961
118 HB2 CYS 16 HB2 CYS 16 5.241 0.308 -10.099
119 HB3 CYS 16 HB3 CYS 16 4.723 -0.510 -11.569
120 H ASP 17 H ASP 17 4.752 -3.071 -12.127
121 HA ASP 17 HA ASP 17 2.413 -4.403 -11.188
122 HB2 ASP 17 HB2 ASP 17 4.013 -5.108 -13.651
123 HB3 ASP 17 HB3 ASP 17 2.299 -5.400 -13.358
124 H ASP 18 H ASP 18 5.782 -5.320 -11.608
125 HA ASP 18 HA ASP 18 5.490 -8.091 -11.237
126 HB2 ASP 18 HB2 ASP 18 7.548 -6.775 -12.045
127 HB3 ASP 18 HB3 ASP 18 7.903 -6.528 -10.338
128 H CYS 19 H CYS 19 6.300 -5.523 -8.907
129 HA CYS 19 HA CYS 19 6.555 -7.082 -6.633
130 HB2 CYS 19 HB2 CYS 19 6.867 -4.500 -7.038
131 HB3 CYS 19 HB3 CYS 19 5.211 -4.414 -6.448
132 H CYS 20 H CYS 20 3.655 -5.878 -8.210
133 HA CYS 20 HA CYS 20 1.840 -6.553 -6.140
134 HB2 CYS 20 HB2 CYS 20 1.408 -6.178 -9.110
135 HB3 CYS 20 HB3 CYS 20 0.110 -6.360 -7.935
136 H GLY 21 H GLY 21 3.349 -8.367 -8.690
137 HA2 GLY 21 HA2 GLY 21 2.910 -10.865 -7.643
138 HA3 GLY 21 HA3 GLY 21 1.504 -10.559 -8.651
139 H GLY 22 H GLY 22 2.138 -9.660 -10.913
140 HA2 GLY 22 HA2 GLY 22 4.637 -10.789 -11.908
141 HA3 GLY 22 HA3 GLY 22 3.155 -11.507 -12.522
142 H LYS 23 H LYS 23 4.015 -10.793 -14.612
143 HA LYS 23 HA LYS 23 4.165 -7.985 -15.178
144 HB2 LYS 23 HB2 LYS 23 5.393 -9.903 -16.376
145 HB3 LYS 23 HB3 LYS 23 3.881 -10.164 -17.236
146 HG2 LYS 23 HG2 LYS 23 4.008 -7.723 -17.905
147 HG3 LYS 23 HG3 LYS 23 5.666 -7.752 -17.303
148 HD2 LYS 23 HD2 LYS 23 6.001 -9.769 -18.836
149 HD3 LYS 23 HD3 LYS 23 4.474 -9.301 -19.587
150 HE2 LYS 23 HE2 LYS 23 6.949 -7.592 -19.352
151 HE3 LYS 23 HE3 LYS 23 6.362 -8.379 -20.817
152 HZ1 LYS 23 HZ1 LYS 23 5.681 -6.126 -20.889
153 HZ2 LYS 23 HZ2 LYS 23 5.065 -6.176 -19.315
154 HZ3 LYS 23 HZ3 LYS 23 4.295 -7.035 -20.551
155 H GLY 24 H GLY 24 2.461 -6.699 -15.386
156 HA2 GLY 24 HA2 GLY 24 0.513 -6.053 -16.631
157 HA3 GLY 24 HA3 GLY 24 0.067 -7.750 -16.737
158 H ARG 25 H ARG 25 0.843 -7.953 -13.781
159 HA ARG 25 HA ARG 25 -1.806 -7.283 -12.793
160 HB2 ARG 25 HB2 ARG 25 0.389 -8.582 -11.196
161 HB3 ARG 25 HB3 ARG 25 -1.349 -8.709 -10.971
162 HG2 ARG 25 HG2 ARG 25 -1.152 -9.744 -13.432
163 HG3 ARG 25 HG3 ARG 25 0.440 -10.171 -12.802
164 HD2 ARG 25 HD2 ARG 25 -0.854 -11.031 -10.744
165 HD3 ARG 25 HD3 ARG 25 -2.267 -10.976 -11.796
166 HE ARG 25 HE ARG 25 -0.093 -12.861 -11.903
167 HH11 ARG 25 HH11 ARG 25 -2.694 -11.364 -13.666
168 HH12 ARG 25 HH12 ARG 25 -2.837 -12.658 -14.811
169 HH21 ARG 25 HH21 ARG 25 -0.272 -14.570 -13.402
170 HH22 ARG 25 HH22 ARG 25 -1.459 -14.481 -14.659
171 H GLY 26 H GLY 26 -2.222 -5.429 -11.798
172 HA2 GLY 26 HA2 GLY 26 -1.705 -4.041 -9.834
173 HA3 GLY 26 HA3 GLY 26 -0.021 -4.109 -10.334
174 H LYS 27 H LYS 27 -0.670 -1.681 -9.937
175 HA LYS 27 HA LYS 27 -0.774 -0.487 -12.559
176 HB2 LYS 27 HB2 LYS 27 -3.201 -0.813 -11.463
177 HB3 LYS 27 HB3 LYS 27 -2.755 0.703 -10.693
178 HG2 LYS 27 HG2 LYS 27 -2.972 1.880 -12.589
179 HG3 LYS 27 HG3 LYS 27 -2.275 0.600 -13.586
180 HD2 LYS 27 HD2 LYS 27 -5.010 0.294 -12.398
181 HD3 LYS 27 HD3 LYS 27 -4.774 1.213 -13.887
182 HE2 LYS 27 HE2 LYS 27 -3.793 -1.607 -13.501
183 HE3 LYS 27 HE3 LYS 27 -5.367 -1.215 -14.190
184 HZ1 LYS 27 HZ1 LYS 27 -4.100 0.161 -15.855
185 HZ2 LYS 27 HZ2 LYS 27 -3.921 -1.515 -15.997
186 HZ3 LYS 27 HZ3 LYS 27 -2.692 -0.589 -15.293
187 H CYS 28 H CYS 28 -0.127 1.727 -12.567
188 HA CYS 28 HA CYS 28 1.344 2.478 -10.136
189 HB2 CYS 28 HB2 CYS 28 2.624 2.147 -12.275
190 HB3 CYS 28 HB3 CYS 28 1.755 3.525 -12.940
191 H TYR 29 H TYR 29 0.217 3.845 -8.914
192 HA TYR 29 HA TYR 29 -1.069 6.140 -10.235
193 HB2 TYR 29 HB2 TYR 29 -2.123 4.464 -7.957
194 HB3 TYR 29 HB3 TYR 29 -2.758 6.061 -8.341
195 HD1 TYR 29 HD1 TYR 29 -3.224 2.644 -8.843
196 HD2 TYR 29 HD2 TYR 29 -3.392 6.350 -10.927
197 HE1 TYR 29 HE1 TYR 29 -4.736 1.637 -10.499
198 HE2 TYR 29 HE2 TYR 29 -4.906 5.352 -12.589
199 HH TYR 29 HH TYR 29 -6.666 3.100 -12.359
200 H GLY 30 H GLY 30 0.180 7.834 -9.757
201 HA2 GLY 30 HA2 GLY 30 1.077 9.504 -8.436
202 HA3 GLY 30 HA3 GLY 30 0.500 8.639 -7.021
203 HA PRO 31 HA PRO 31 5.096 8.384 -6.946
204 HB2 PRO 31 HB2 PRO 31 5.288 8.722 -4.260
205 HB3 PRO 31 HB3 PRO 31 5.190 10.075 -5.394
206 HG2 PRO 31 HG2 PRO 31 3.031 8.841 -3.727
207 HG3 PRO 31 HG3 PRO 31 3.367 10.554 -4.032
208 HD2 PRO 31 HD2 PRO 31 1.418 9.197 -5.333
209 HD3 PRO 31 HD3 PRO 31 2.328 10.521 -6.089
210 H GLN 32 H GLN 32 2.513 6.728 -5.338
211 HA GLN 32 HA GLN 32 4.326 4.511 -4.657
212 HB2 GLN 32 HB2 GLN 32 1.575 5.141 -3.573
213 HB3 GLN 32 HB3 GLN 32 2.554 3.756 -3.109
214 HG2 GLN 32 HG2 GLN 32 4.098 5.068 -1.971
215 HG3 GLN 32 HG3 GLN 32 3.589 6.543 -2.791
216 HE21 GLN 32 HE21 GLN 32 2.135 3.993 -0.790
217 HE22 GLN 32 HE22 GLN 32 1.243 5.067 0.228
218 H CYS 33 H CYS 33 3.707 2.371 -5.164
219 HA CYS 33 HA CYS 33 2.099 2.199 -7.587
220 HB2 CYS 33 HB2 CYS 33 4.228 1.109 -7.715
221 HB3 CYS 33 HB3 CYS 33 3.944 0.247 -6.207
222 H LEU 34 H LEU 34 0.022 1.698 -7.491
223 HA LEU 34 HA LEU 34 -0.980 0.225 -5.156
224 HB2 LEU 34 HB2 LEU 34 -2.666 1.662 -7.181
225 HB3 LEU 34 HB3 LEU 34 -3.091 1.187 -5.538
226 HG LEU 34 HG LEU 34 -1.219 3.411 -6.345
227 HD11 LEU 34 HD11 LEU 34 -3.700 3.768 -6.595
228 HD12 LEU 34 HD12 LEU 34 -2.871 4.891 -5.518
229 HD13 LEU 34 HD13 LEU 34 -3.824 3.568 -4.847
230 HD21 LEU 34 HD21 LEU 34 -2.045 2.531 -3.581
231 HD22 LEU 34 HD22 LEU 34 -0.993 3.889 -3.988
232 HD23 LEU 34 HD23 LEU 34 -0.467 2.235 -4.309
233 H CYS 35 H CYS 35 -1.492 -1.840 -5.389
234 HA CYS 35 HA CYS 35 -1.628 -3.017 -8.035
235 HB2 CYS 35 HB2 CYS 35 -1.985 -4.397 -5.371
236 HB3 CYS 35 HB3 CYS 35 -1.585 -5.141 -6.915
237 H ARG 36 H ARG 36 -3.431 -3.518 -9.102
238 HA ARG 36 HA ARG 36 -5.943 -2.623 -8.397
239 HB2 ARG 36 HB2 ARG 36 -6.789 -4.267 -10.116
240 HB3 ARG 36 HB3 ARG 36 -5.525 -3.177 -10.670
241 HG2 ARG 36 HG2 ARG 36 -4.220 -4.877 -11.224
242 HG3 ARG 36 HG3 ARG 36 -4.369 -5.584 -9.614
243 HD2 ARG 36 HD2 ARG 36 -5.151 -7.098 -11.395
244 HD3 ARG 36 HD3 ARG 36 -6.423 -6.686 -10.246
245 HE ARG 36 HE ARG 36 -6.373 -4.988 -12.562
246 HH11 ARG 36 HH11 ARG 36 -7.530 -7.998 -11.249
247 HH12 ARG 36 HH12 ARG 36 -8.873 -8.108 -12.338
248 HH21 ARG 36 HH21 ARG 36 -8.137 -5.121 -14.002
249 HH22 ARG 36 HH22 ARG 36 -9.217 -6.472 -13.905
Start of MODEL 3
1 H MET 1 H MET 1 2.154 0.505 0.785
2 HA MET 1 HA MET 1 1.572 -0.137 -2.030
3 HB2 MET 1 HB2 MET 1 3.516 1.413 -2.514
4 HB3 MET 1 HB3 MET 1 2.066 2.177 -1.878
5 HG2 MET 1 HG2 MET 1 3.036 2.689 0.120
6 HG3 MET 1 HG3 MET 1 4.172 1.344 0.040
7 HE1 MET 1 HE1 MET 1 6.252 3.297 0.871
8 HE2 MET 1 HE2 MET 1 6.358 1.731 0.065
9 HE3 MET 1 HE3 MET 1 7.278 3.105 -0.551
10 H CYS 2 H CYS 2 2.649 -1.761 -2.939
11 HA CYS 2 HA CYS 2 4.437 -3.376 -1.464
12 HB2 CYS 2 HB2 CYS 2 2.939 -4.113 -3.369
13 HB3 CYS 2 HB3 CYS 2 4.107 -3.383 -4.465
14 H MET 3 H MET 3 4.910 -0.837 -3.845
15 HA MET 3 HA MET 3 7.621 -0.459 -3.004
16 HB2 MET 3 HB2 MET 3 8.781 -1.050 -4.959
17 HB3 MET 3 HB3 MET 3 7.686 -2.397 -4.679
18 HG2 MET 3 HG2 MET 3 6.150 -1.514 -6.347
19 HG3 MET 3 HG3 MET 3 7.224 -0.143 -6.616
20 HE1 MET 3 HE1 MET 3 9.709 -0.548 -6.875
21 HE2 MET 3 HE2 MET 3 10.284 -2.202 -6.664
22 HE3 MET 3 HE3 MET 3 10.263 -1.472 -8.271
23 HA PRO 4 HA PRO 4 6.773 3.635 -4.341
24 HB2 PRO 4 HB2 PRO 4 9.267 4.531 -4.928
25 HB3 PRO 4 HB3 PRO 4 8.709 4.259 -3.274
26 HG2 PRO 4 HG2 PRO 4 10.393 2.502 -5.018
27 HG3 PRO 4 HG3 PRO 4 10.588 2.889 -3.297
28 HD2 PRO 4 HD2 PRO 4 9.486 0.569 -4.153
29 HD3 PRO 4 HD3 PRO 4 8.992 1.362 -2.643
30 H CYS 5 H CYS 5 5.938 4.373 -6.183
31 HA CYS 5 HA CYS 5 7.044 3.402 -8.724
32 HB2 CYS 5 HB2 CYS 5 4.476 3.321 -7.864
33 HB3 CYS 5 HB3 CYS 5 4.470 4.858 -8.722
34 H PHE 6 H PHE 6 6.759 5.001 -10.584
35 HA PHE 6 HA PHE 6 7.121 7.783 -9.791
36 HB2 PHE 6 HB2 PHE 6 9.194 6.146 -11.247
37 HB3 PHE 6 HB3 PHE 6 9.156 7.904 -11.326
38 HD1 PHE 6 HD1 PHE 6 9.985 9.228 -9.559
39 HD2 PHE 6 HD2 PHE 6 9.559 5.023 -9.057
40 HE1 PHE 6 HE1 PHE 6 11.276 9.351 -7.468
41 HE2 PHE 6 HE2 PHE 6 10.848 5.139 -6.964
42 HZ PHE 6 HZ PHE 6 11.709 7.304 -6.168
43 H THR 7 H THR 7 6.094 9.106 -11.143
44 HA THR 7 HA THR 7 4.722 8.065 -13.424
45 HB THR 7 HB THR 7 3.913 10.371 -13.749
46 HG1 THR 7 HG1 THR 7 5.161 11.911 -13.025
47 HG21 THR 7 HG21 THR 7 3.270 8.667 -11.723
48 HG22 THR 7 HG22 THR 7 2.403 10.158 -12.091
49 HG23 THR 7 HG23 THR 7 3.641 10.143 -10.835
50 H THR 8 H THR 8 7.584 10.043 -12.920
51 HA THR 8 HA THR 8 7.918 10.752 -15.666
52 HB THR 8 HB THR 8 8.903 12.132 -13.910
53 HG1 THR 8 HG1 THR 8 10.746 12.511 -15.021
54 HG21 THR 8 HG21 THR 8 9.427 10.300 -12.330
55 HG22 THR 8 HG22 THR 8 10.798 11.377 -12.598
56 HG23 THR 8 HG23 THR 8 10.748 9.800 -13.384
57 H ASP 9 H ASP 9 8.717 7.996 -13.756
58 HA ASP 9 HA ASP 9 10.717 7.025 -15.626
59 HB2 ASP 9 HB2 ASP 9 9.521 5.722 -13.170
60 HB3 ASP 9 HB3 ASP 9 10.870 5.087 -14.108
61 H HIS 10 H HIS 10 10.375 5.593 -17.216
62 HA HIS 10 HA HIS 10 7.630 4.713 -17.681
63 HB2 HIS 10 HB2 HIS 10 10.049 4.544 -19.490
64 HB3 HIS 10 HB3 HIS 10 8.388 4.175 -19.945
65 HD1 HIS 10 HD1 HIS 10 6.707 6.371 -19.557
66 HD2 HIS 10 HD2 HIS 10 10.763 7.066 -20.130
67 HE1 HIS 10 HE1 HIS 10 6.883 8.777 -20.266
68 H GLN 11 H GLN 11 10.847 3.428 -17.105
69 HA GLN 11 HA GLN 11 10.034 0.693 -17.516
70 HB2 GLN 11 HB2 GLN 11 12.296 0.117 -16.863
71 HB3 GLN 11 HB3 GLN 11 12.333 1.449 -18.009
72 HG2 GLN 11 HG2 GLN 11 12.310 2.830 -15.708
73 HG3 GLN 11 HG3 GLN 11 13.126 1.361 -15.175
74 HE21 GLN 11 HE21 GLN 11 13.857 4.295 -15.908
75 HE22 GLN 11 HE22 GLN 11 15.312 4.103 -16.820
76 H MET 12 H MET 12 9.863 2.932 -14.977
77 HA MET 12 HA MET 12 10.186 1.249 -12.741
78 HB2 MET 12 HB2 MET 12 10.196 3.696 -12.577
79 HB3 MET 12 HB3 MET 12 8.498 3.740 -13.032
80 HG2 MET 12 HG2 MET 12 8.530 4.003 -10.707
81 HG3 MET 12 HG3 MET 12 8.050 2.330 -10.983
82 HE1 MET 12 HE1 MET 12 8.436 1.348 -8.925
83 HE2 MET 12 HE2 MET 12 9.463 0.231 -9.825
84 HE3 MET 12 HE3 MET 12 10.007 0.874 -8.275
85 H ALA 13 H ALA 13 7.374 2.059 -14.719
86 HA ALA 13 HA ALA 13 5.345 0.953 -13.209
87 HB1 ALA 13 HB1 ALA 13 4.399 1.931 -14.997
88 HB2 ALA 13 HB2 ALA 13 5.755 1.545 -16.056
89 HB3 ALA 13 HB3 ALA 13 4.527 0.325 -15.714
90 H ARG 14 H ARG 14 7.700 -0.651 -15.268
91 HA ARG 14 HA ARG 14 6.556 -3.168 -15.480
92 HB2 ARG 14 HB2 ARG 14 8.985 -2.014 -16.158
93 HB3 ARG 14 HB3 ARG 14 9.432 -3.288 -15.032
94 HG2 ARG 14 HG2 ARG 14 7.738 -4.659 -16.583
95 HG3 ARG 14 HG3 ARG 14 8.307 -3.467 -17.754
96 HD2 ARG 14 HD2 ARG 14 10.475 -4.570 -16.173
97 HD3 ARG 14 HD3 ARG 14 9.580 -5.822 -17.034
98 HE ARG 14 HE ARG 14 10.019 -3.900 -18.914
99 HH11 ARG 14 HH11 ARG 14 12.051 -5.725 -16.757
100 HH12 ARG 14 HH12 ARG 14 13.420 -5.707 -17.820
101 HH21 ARG 14 HH21 ARG 14 11.812 -3.869 -20.323
102 HH22 ARG 14 HH22 ARG 14 13.282 -4.650 -19.848
103 H LYS 15 H LYS 15 8.918 -2.087 -13.034
104 HA LYS 15 HA LYS 15 8.825 -4.412 -11.471
105 HB2 LYS 15 HB2 LYS 15 9.490 -1.566 -10.698
106 HB3 LYS 15 HB3 LYS 15 9.762 -2.961 -9.662
107 HG2 LYS 15 HG2 LYS 15 11.459 -3.792 -11.009
108 HG3 LYS 15 HG3 LYS 15 10.939 -2.851 -12.410
109 HD2 LYS 15 HD2 LYS 15 11.878 -1.463 -9.930
110 HD3 LYS 15 HD3 LYS 15 13.049 -2.118 -11.078
111 HE2 LYS 15 HE2 LYS 15 11.312 -0.795 -12.721
112 HE3 LYS 15 HE3 LYS 15 11.308 0.228 -11.285
113 HZ1 LYS 15 HZ1 LYS 15 13.881 -0.085 -11.503
114 HZ2 LYS 15 HZ2 LYS 15 13.073 1.089 -12.413
115 HZ3 LYS 15 HZ3 LYS 15 13.506 -0.385 -13.124
116 H CYS 16 H CYS 16 6.952 -1.415 -11.302
117 HA CYS 16 HA CYS 16 5.613 -1.769 -8.924
118 HB2 CYS 16 HB2 CYS 16 5.269 0.271 -10.061
119 HB3 CYS 16 HB3 CYS 16 4.743 -0.542 -11.532
120 H ASP 17 H ASP 17 4.863 -3.168 -12.083
121 HA ASP 17 HA ASP 17 2.474 -4.466 -11.199
122 HB2 ASP 17 HB2 ASP 17 4.147 -5.152 -13.621
123 HB3 ASP 17 HB3 ASP 17 2.442 -5.514 -13.364
124 H ASP 18 H ASP 18 5.850 -5.391 -11.518
125 HA ASP 18 HA ASP 18 5.543 -8.160 -11.136
126 HB2 ASP 18 HB2 ASP 18 7.623 -6.885 -11.912
127 HB3 ASP 18 HB3 ASP 18 7.930 -6.570 -10.207
128 H CYS 19 H CYS 19 6.297 -5.576 -8.806
129 HA CYS 19 HA CYS 19 6.489 -7.117 -6.513
130 HB2 CYS 19 HB2 CYS 19 6.831 -4.546 -6.918
131 HB3 CYS 19 HB3 CYS 19 5.150 -4.439 -6.404
132 H CYS 20 H CYS 20 3.636 -5.937 -8.186
133 HA CYS 20 HA CYS 20 1.773 -6.617 -6.148
134 HB2 CYS 20 HB2 CYS 20 1.401 -6.175 -9.116
135 HB3 CYS 20 HB3 CYS 20 0.079 -6.377 -7.971
136 H GLY 21 H GLY 21 3.319 -8.385 -8.708
137 HA2 GLY 21 HA2 GLY 21 2.873 -10.901 -7.735
138 HA3 GLY 21 HA3 GLY 21 1.459 -10.571 -8.724
139 H GLY 22 H GLY 22 1.951 -9.792 -10.989
140 HA2 GLY 22 HA2 GLY 22 4.501 -10.734 -12.047
141 HA3 GLY 22 HA3 GLY 22 3.067 -11.597 -12.582
142 H LYS 23 H LYS 23 4.527 -10.494 -14.507
143 HA LYS 23 HA LYS 23 4.170 -7.847 -15.202
144 HB2 LYS 23 HB2 LYS 23 5.581 -9.520 -16.416
145 HB3 LYS 23 HB3 LYS 23 4.112 -10.181 -17.122
146 HG2 LYS 23 HG2 LYS 23 3.657 -8.021 -18.184
147 HG3 LYS 23 HG3 LYS 23 5.149 -7.378 -17.494
148 HD2 LYS 23 HD2 LYS 23 5.800 -7.981 -19.638
149 HD3 LYS 23 HD3 LYS 23 6.275 -9.387 -18.682
150 HE2 LYS 23 HE2 LYS 23 5.210 -10.351 -20.498
151 HE3 LYS 23 HE3 LYS 23 3.925 -10.288 -19.293
152 HZ1 LYS 23 HZ1 LYS 23 3.962 -9.147 -21.847
153 HZ2 LYS 23 HZ2 LYS 23 3.905 -7.884 -20.722
154 HZ3 LYS 23 HZ3 LYS 23 2.723 -9.094 -20.695
155 H GLY 24 H GLY 24 2.401 -6.665 -15.469
156 HA2 GLY 24 HA2 GLY 24 0.403 -6.188 -16.711
157 HA3 GLY 24 HA3 GLY 24 0.056 -7.910 -16.738
158 H ARG 25 H ARG 25 0.879 -7.942 -13.789
159 HA ARG 25 HA ARG 25 -1.786 -7.304 -12.791
160 HB2 ARG 25 HB2 ARG 25 0.412 -8.617 -11.211
161 HB3 ARG 25 HB3 ARG 25 -1.326 -8.734 -10.975
162 HG2 ARG 25 HG2 ARG 25 -1.167 -9.777 -13.428
163 HG3 ARG 25 HG3 ARG 25 0.440 -10.198 -12.832
164 HD2 ARG 25 HD2 ARG 25 -0.374 -11.605 -11.223
165 HD3 ARG 25 HD3 ARG 25 -1.889 -10.718 -11.062
166 HE ARG 25 HE ARG 25 -2.802 -12.131 -12.595
167 HH11 ARG 25 HH11 ARG 25 0.657 -12.170 -12.984
168 HH12 ARG 25 HH12 ARG 25 0.638 -13.412 -14.192
169 HH21 ARG 25 HH21 ARG 25 -2.840 -13.767 -14.184
170 HH22 ARG 25 HH22 ARG 25 -1.352 -14.319 -14.874
171 H GLY 26 H GLY 26 -2.174 -5.440 -11.804
172 HA2 GLY 26 HA2 GLY 26 -1.631 -4.052 -9.848
173 HA3 GLY 26 HA3 GLY 26 0.050 -4.143 -10.353
174 H LYS 27 H LYS 27 -0.617 -1.702 -9.945
175 HA LYS 27 HA LYS 27 -0.672 -0.508 -12.569
176 HB2 LYS 27 HB2 LYS 27 -3.118 -0.830 -11.452
177 HB3 LYS 27 HB3 LYS 27 -2.673 0.733 -10.782
178 HG2 LYS 27 HG2 LYS 27 -2.818 1.785 -12.772
179 HG3 LYS 27 HG3 LYS 27 -2.236 0.387 -13.678
180 HD2 LYS 27 HD2 LYS 27 -4.924 0.290 -12.379
181 HD3 LYS 27 HD3 LYS 27 -4.723 1.159 -13.903
182 HE2 LYS 27 HE2 LYS 27 -3.602 -0.973 -14.759
183 HE3 LYS 27 HE3 LYS 27 -4.277 -1.757 -13.331
184 HZ1 LYS 27 HZ1 LYS 27 -5.683 -1.967 -15.328
185 HZ2 LYS 27 HZ2 LYS 27 -5.882 -0.287 -15.351
186 HZ3 LYS 27 HZ3 LYS 27 -6.475 -1.192 -14.049
187 H CYS 28 H CYS 28 0.014 1.681 -12.574
188 HA CYS 28 HA CYS 28 1.415 2.445 -10.107
189 HB2 CYS 28 HB2 CYS 28 2.749 2.100 -12.210
190 HB3 CYS 28 HB3 CYS 28 1.899 3.474 -12.908
191 H TYR 29 H TYR 29 0.261 3.820 -8.920
192 HA TYR 29 HA TYR 29 -1.010 6.098 -10.288
193 HB2 TYR 29 HB2 TYR 29 -2.057 4.461 -7.979
194 HB3 TYR 29 HB3 TYR 29 -2.692 6.053 -8.382
195 HD1 TYR 29 HD1 TYR 29 -3.215 2.651 -8.799
196 HD2 TYR 29 HD2 TYR 29 -3.285 6.288 -11.005
197 HE1 TYR 29 HE1 TYR 29 -4.733 1.621 -10.438
198 HE2 TYR 29 HE2 TYR 29 -4.805 5.270 -12.649
199 HH TYR 29 HH TYR 29 -5.966 3.466 -13.213
200 H GLY 30 H GLY 30 0.268 7.786 -9.858
201 HA2 GLY 30 HA2 GLY 30 1.165 9.490 -8.579
202 HA3 GLY 30 HA3 GLY 30 0.570 8.671 -7.142
203 HA PRO 31 HA PRO 31 5.161 8.385 -7.011
204 HB2 PRO 31 HB2 PRO 31 5.322 8.767 -4.329
205 HB3 PRO 31 HB3 PRO 31 5.244 10.100 -5.486
206 HG2 PRO 31 HG2 PRO 31 3.061 8.903 -3.824
207 HG3 PRO 31 HG3 PRO 31 3.407 10.611 -4.154
208 HD2 PRO 31 HD2 PRO 31 1.468 9.240 -5.454
209 HD3 PRO 31 HD3 PRO 31 2.392 10.548 -6.222
210 H GLN 32 H GLN 32 2.553 6.768 -5.401
211 HA GLN 32 HA GLN 32 4.346 4.553 -4.669
212 HB2 GLN 32 HB2 GLN 32 1.563 5.110 -3.631
213 HB3 GLN 32 HB3 GLN 32 2.660 3.857 -3.065
214 HG2 GLN 32 HG2 GLN 32 4.238 5.656 -2.367
215 HG3 GLN 32 HG3 GLN 32 2.987 6.831 -2.771
216 HE21 GLN 32 HE21 GLN 32 3.054 7.499 -0.573
217 HE22 GLN 32 HE22 GLN 32 2.234 6.592 0.646
218 H CYS 33 H CYS 33 3.742 2.416 -5.168
219 HA CYS 33 HA CYS 33 2.131 2.213 -7.585
220 HB2 CYS 33 HB2 CYS 33 4.258 1.119 -7.701
221 HB3 CYS 33 HB3 CYS 33 3.977 0.280 -6.179
222 H LEU 34 H LEU 34 0.063 1.674 -7.511
223 HA LEU 34 HA LEU 34 -0.934 0.205 -5.165
224 HB2 LEU 34 HB2 LEU 34 -2.616 1.721 -7.135
225 HB3 LEU 34 HB3 LEU 34 -3.046 1.192 -5.510
226 HG LEU 34 HG LEU 34 -1.086 3.385 -6.192
227 HD11 LEU 34 HD11 LEU 34 -2.722 4.930 -5.582
228 HD12 LEU 34 HD12 LEU 34 -3.733 3.703 -4.821
229 HD13 LEU 34 HD13 LEU 34 -3.593 3.764 -6.577
230 HD21 LEU 34 HD21 LEU 34 -2.184 2.643 -3.490
231 HD22 LEU 34 HD22 LEU 34 -0.890 3.781 -3.867
232 HD23 LEU 34 HD23 LEU 34 -0.638 2.050 -4.097
233 H CYS 35 H CYS 35 -1.427 -1.858 -5.445
234 HA CYS 35 HA CYS 35 -1.575 -3.000 -8.087
235 HB2 CYS 35 HB2 CYS 35 -2.095 -4.371 -5.445
236 HB3 CYS 35 HB3 CYS 35 -1.670 -5.130 -6.976
237 H ARG 36 H ARG 36 -3.346 -4.185 -8.931
238 HA ARG 36 HA ARG 36 -5.812 -2.930 -8.807
239 HB2 ARG 36 HB2 ARG 36 -4.830 -5.530 -9.856
240 HB3 ARG 36 HB3 ARG 36 -6.570 -5.357 -9.660
241 HG2 ARG 36 HG2 ARG 36 -5.124 -3.171 -11.043
242 HG3 ARG 36 HG3 ARG 36 -5.323 -4.701 -11.901
243 HD2 ARG 36 HD2 ARG 36 -7.809 -4.465 -11.106
244 HD3 ARG 36 HD3 ARG 36 -7.387 -2.759 -10.966
245 HE ARG 36 HE ARG 36 -7.450 -2.611 -13.240
246 HH11 ARG 36 HH11 ARG 36 -7.092 -5.958 -12.349
247 HH12 ARG 36 HH12 ARG 36 -7.252 -6.542 -13.973
248 HH21 ARG 36 HH21 ARG 36 -7.661 -3.369 -15.382
249 HH22 ARG 36 HH22 ARG 36 -7.575 -5.069 -15.697
Start of MODEL 4
1 H MET 1 H MET 1 1.803 -0.208 0.521
2 HA MET 1 HA MET 1 1.846 0.057 -2.413
3 HB2 MET 1 HB2 MET 1 3.773 1.684 -1.996
4 HB3 MET 1 HB3 MET 1 2.150 2.257 -1.637
5 HG2 MET 1 HG2 MET 1 2.503 2.285 0.617
6 HG3 MET 1 HG3 MET 1 3.723 1.015 0.553
7 HE1 MET 1 HE1 MET 1 5.625 1.344 -1.084
8 HE2 MET 1 HE2 MET 1 6.361 2.885 -1.526
9 HE3 MET 1 HE3 MET 1 6.789 2.107 -0.002
10 H CYS 2 H CYS 2 2.591 -1.995 -2.838
11 HA CYS 2 HA CYS 2 4.510 -3.437 -1.470
12 HB2 CYS 2 HB2 CYS 2 3.050 -4.232 -3.379
13 HB3 CYS 2 HB3 CYS 2 4.198 -3.469 -4.473
14 H MET 3 H MET 3 4.926 -0.908 -3.875
15 HA MET 3 HA MET 3 7.617 -0.438 -3.014
16 HB2 MET 3 HB2 MET 3 8.806 -1.004 -4.959
17 HB3 MET 3 HB3 MET 3 7.758 -2.386 -4.668
18 HG2 MET 3 HG2 MET 3 6.201 -1.578 -6.353
19 HG3 MET 3 HG3 MET 3 7.223 -0.169 -6.631
20 HE1 MET 3 HE1 MET 3 9.724 -0.506 -6.822
21 HE2 MET 3 HE2 MET 3 10.380 -2.138 -6.699
22 HE3 MET 3 HE3 MET 3 10.294 -1.339 -8.269
23 HA PRO 4 HA PRO 4 6.653 3.617 -4.388
24 HB2 PRO 4 HB2 PRO 4 9.124 4.587 -4.958
25 HB3 PRO 4 HB3 PRO 4 8.559 4.310 -3.306
26 HG2 PRO 4 HG2 PRO 4 10.312 2.594 -5.021
27 HG3 PRO 4 HG3 PRO 4 10.479 2.999 -3.302
28 HD2 PRO 4 HD2 PRO 4 9.458 0.639 -4.150
29 HD3 PRO 4 HD3 PRO 4 8.924 1.427 -2.652
30 H CYS 5 H CYS 5 5.814 4.318 -6.242
31 HA CYS 5 HA CYS 5 6.941 3.335 -8.766
32 HB2 CYS 5 HB2 CYS 5 4.376 3.265 -7.932
33 HB3 CYS 5 HB3 CYS 5 4.376 4.818 -8.763
34 H PHE 6 H PHE 6 6.656 4.922 -10.647
35 HA PHE 6 HA PHE 6 7.065 7.704 -9.879
36 HB2 PHE 6 HB2 PHE 6 9.108 6.004 -11.296
37 HB3 PHE 6 HB3 PHE 6 9.085 7.756 -11.467
38 HD1 PHE 6 HD1 PHE 6 9.945 9.162 -9.782
39 HD2 PHE 6 HD2 PHE 6 9.476 4.996 -9.050
40 HE1 PHE 6 HE1 PHE 6 11.253 9.382 -7.710
41 HE2 PHE 6 HE2 PHE 6 10.781 5.209 -6.976
42 HZ PHE 6 HZ PHE 6 11.673 7.404 -6.304
43 H THR 7 H THR 7 5.899 8.956 -11.167
44 HA THR 7 HA THR 7 4.577 7.926 -13.469
45 HB THR 7 HB THR 7 3.579 10.093 -13.709
46 HG1 THR 7 HG1 THR 7 4.609 11.856 -13.147
47 HG21 THR 7 HG21 THR 7 3.722 10.201 -10.788
48 HG22 THR 7 HG22 THR 7 3.382 8.592 -11.424
49 HG23 THR 7 HG23 THR 7 2.335 9.946 -11.844
50 H THR 8 H THR 8 7.395 9.963 -12.954
51 HA THR 8 HA THR 8 7.701 10.698 -15.700
52 HB THR 8 HB THR 8 8.644 12.103 -13.942
53 HG1 THR 8 HG1 THR 8 9.875 12.501 -15.641
54 HG21 THR 8 HG21 THR 8 10.868 10.203 -13.420
55 HG22 THR 8 HG22 THR 8 9.324 9.888 -12.627
56 HG23 THR 8 HG23 THR 8 10.151 11.424 -12.369
57 H ASP 9 H ASP 9 8.584 7.963 -13.798
58 HA ASP 9 HA ASP 9 10.599 7.057 -15.688
59 HB2 ASP 9 HB2 ASP 9 9.491 5.683 -13.231
60 HB3 ASP 9 HB3 ASP 9 10.892 5.165 -14.164
61 H HIS 10 H HIS 10 10.289 5.588 -17.254
62 HA HIS 10 HA HIS 10 7.567 4.617 -17.675
63 HB2 HIS 10 HB2 HIS 10 9.991 4.624 -19.483
64 HB3 HIS 10 HB3 HIS 10 8.412 3.991 -19.937
65 HD1 HIS 10 HD1 HIS 10 6.412 5.898 -19.714
66 HD2 HIS 10 HD2 HIS 10 10.326 7.221 -20.151
67 HE1 HIS 10 HE1 HIS 10 6.233 8.280 -20.500
68 H GLN 11 H GLN 11 10.831 3.439 -17.132
69 HA GLN 11 HA GLN 11 10.094 0.675 -17.493
70 HB2 GLN 11 HB2 GLN 11 12.395 0.194 -16.794
71 HB3 GLN 11 HB3 GLN 11 12.351 1.417 -18.057
72 HG2 GLN 11 HG2 GLN 11 12.366 2.373 -15.258
73 HG3 GLN 11 HG3 GLN 11 13.849 1.643 -15.871
74 HE21 GLN 11 HE21 GLN 11 12.993 4.456 -15.162
75 HE22 GLN 11 HE22 GLN 11 13.463 5.396 -16.533
76 H MET 12 H MET 12 9.899 2.943 -14.981
77 HA MET 12 HA MET 12 10.316 1.313 -12.725
78 HB2 MET 12 HB2 MET 12 10.231 3.749 -12.575
79 HB3 MET 12 HB3 MET 12 8.537 3.735 -13.051
80 HG2 MET 12 HG2 MET 12 8.592 4.045 -10.714
81 HG3 MET 12 HG3 MET 12 8.065 2.387 -10.997
82 HE1 MET 12 HE1 MET 12 8.361 1.181 -9.315
83 HE2 MET 12 HE2 MET 12 9.761 0.165 -9.657
84 HE3 MET 12 HE3 MET 12 9.689 1.091 -8.157
85 H ALA 13 H ALA 13 7.424 1.998 -14.642
86 HA ALA 13 HA ALA 13 5.499 0.779 -13.068
87 HB1 ALA 13 HB1 ALA 13 4.403 0.271 -15.367
88 HB2 ALA 13 HB2 ALA 13 4.645 1.946 -14.869
89 HB3 ALA 13 HB3 ALA 13 5.757 1.198 -16.016
90 H ARG 14 H ARG 14 7.837 -0.662 -15.261
91 HA ARG 14 HA ARG 14 6.817 -3.209 -15.552
92 HB2 ARG 14 HB2 ARG 14 9.106 -1.997 -16.314
93 HB3 ARG 14 HB3 ARG 14 9.727 -3.039 -15.041
94 HG2 ARG 14 HG2 ARG 14 9.929 -4.183 -17.126
95 HG3 ARG 14 HG3 ARG 14 8.665 -4.972 -16.179
96 HD2 ARG 14 HD2 ARG 14 7.085 -4.483 -17.685
97 HD3 ARG 14 HD3 ARG 14 7.657 -2.827 -17.874
98 HE ARG 14 HE ARG 14 8.262 -5.063 -19.556
99 HH11 ARG 14 HH11 ARG 14 9.428 -1.998 -18.387
100 HH12 ARG 14 HH12 ARG 14 10.447 -1.715 -19.760
101 HH21 ARG 14 HH21 ARG 14 9.600 -4.701 -21.369
102 HH22 ARG 14 HH22 ARG 14 10.544 -3.253 -21.455
103 H LYS 15 H LYS 15 8.823 -1.947 -12.910
104 HA LYS 15 HA LYS 15 8.829 -4.417 -11.467
105 HB2 LYS 15 HB2 LYS 15 9.528 -1.608 -10.590
106 HB3 LYS 15 HB3 LYS 15 9.812 -3.056 -9.633
107 HG2 LYS 15 HG2 LYS 15 11.500 -3.805 -11.027
108 HG3 LYS 15 HG3 LYS 15 10.947 -2.828 -12.389
109 HD2 LYS 15 HD2 LYS 15 11.883 -1.473 -9.899
110 HD3 LYS 15 HD3 LYS 15 13.073 -2.131 -11.024
111 HE2 LYS 15 HE2 LYS 15 11.346 -0.800 -12.688
112 HE3 LYS 15 HE3 LYS 15 11.362 0.228 -11.257
113 HZ1 LYS 15 HZ1 LYS 15 13.849 -0.733 -12.545
114 HZ2 LYS 15 HZ2 LYS 15 13.673 0.520 -11.422
115 HZ3 LYS 15 HZ3 LYS 15 13.094 0.711 -13.000
116 H CYS 16 H CYS 16 6.979 -1.416 -11.295
117 HA CYS 16 HA CYS 16 5.635 -1.747 -8.918
118 HB2 CYS 16 HB2 CYS 16 5.277 0.283 -10.050
119 HB3 CYS 16 HB3 CYS 16 4.798 -0.527 -11.537
120 H ASP 17 H ASP 17 4.824 -3.116 -12.085
121 HA ASP 17 HA ASP 17 2.461 -4.429 -11.169
122 HB2 ASP 17 HB2 ASP 17 4.105 -5.079 -13.623
123 HB3 ASP 17 HB3 ASP 17 2.413 -5.482 -13.341
124 H ASP 18 H ASP 18 5.833 -5.352 -11.541
125 HA ASP 18 HA ASP 18 5.532 -8.123 -11.174
126 HB2 ASP 18 HB2 ASP 18 7.599 -7.022 -12.016
127 HB3 ASP 18 HB3 ASP 18 7.898 -6.410 -10.391
128 H CYS 19 H CYS 19 6.326 -5.561 -8.833
129 HA CYS 19 HA CYS 19 6.537 -7.124 -6.556
130 HB2 CYS 19 HB2 CYS 19 6.880 -4.545 -6.954
131 HB3 CYS 19 HB3 CYS 19 5.215 -4.443 -6.390
132 H CYS 20 H CYS 20 3.671 -5.913 -8.185
133 HA CYS 20 HA CYS 20 1.827 -6.585 -6.129
134 HB2 CYS 20 HB2 CYS 20 1.432 -6.140 -9.094
135 HB3 CYS 20 HB3 CYS 20 0.117 -6.341 -7.941
136 H GLY 21 H GLY 21 3.338 -8.366 -8.701
137 HA2 GLY 21 HA2 GLY 21 2.889 -10.878 -7.720
138 HA3 GLY 21 HA3 GLY 21 1.465 -10.542 -8.693
139 H GLY 22 H GLY 22 1.940 -9.761 -10.964
140 HA2 GLY 22 HA2 GLY 22 4.470 -10.725 -12.050
141 HA3 GLY 22 HA3 GLY 22 3.023 -11.576 -12.569
142 H LYS 23 H LYS 23 4.475 -10.483 -14.508
143 HA LYS 23 HA LYS 23 4.129 -7.832 -15.197
144 HB2 LYS 23 HB2 LYS 23 5.560 -9.348 -16.464
145 HB3 LYS 23 HB3 LYS 23 4.152 -10.248 -17.016
146 HG2 LYS 23 HG2 LYS 23 3.361 -8.210 -18.177
147 HG3 LYS 23 HG3 LYS 23 4.858 -7.403 -17.704
148 HD2 LYS 23 HD2 LYS 23 4.920 -10.008 -19.185
149 HD3 LYS 23 HD3 LYS 23 4.706 -8.484 -20.048
150 HE2 LYS 23 HE2 LYS 23 6.977 -8.619 -20.114
151 HE3 LYS 23 HE3 LYS 23 6.792 -7.787 -18.571
152 HZ1 LYS 23 HZ1 LYS 23 7.524 -9.558 -17.434
153 HZ2 LYS 23 HZ2 LYS 23 8.216 -10.021 -18.906
154 HZ3 LYS 23 HZ3 LYS 23 6.733 -10.678 -18.425
155 H GLY 24 H GLY 24 2.363 -6.641 -15.449
156 HA2 GLY 24 HA2 GLY 24 0.359 -6.153 -16.677
157 HA3 GLY 24 HA3 GLY 24 0.003 -7.873 -16.704
158 H ARG 25 H ARG 25 0.847 -7.914 -13.761
159 HA ARG 25 HA ARG 25 -1.809 -7.275 -12.743
160 HB2 ARG 25 HB2 ARG 25 0.409 -8.579 -11.184
161 HB3 ARG 25 HB3 ARG 25 -1.326 -8.691 -10.920
162 HG2 ARG 25 HG2 ARG 25 -1.205 -9.745 -13.371
163 HG3 ARG 25 HG3 ARG 25 0.409 -10.170 -12.795
164 HD2 ARG 25 HD2 ARG 25 -0.629 -11.176 -10.781
165 HD3 ARG 25 HD3 ARG 25 -2.216 -10.840 -11.472
166 HE ARG 25 HE ARG 25 -0.446 -12.977 -12.176
167 HH11 ARG 25 HH11 ARG 25 -2.973 -10.887 -13.349
168 HH12 ARG 25 HH12 ARG 25 -3.501 -11.996 -14.571
169 HH21 ARG 25 HH21 ARG 25 -1.133 -14.444 -13.781
170 HH22 ARG 25 HH22 ARG 25 -2.455 -14.020 -14.815
171 H GLY 26 H GLY 26 -2.194 -5.401 -11.775
172 HA2 GLY 26 HA2 GLY 26 -1.681 -3.975 -9.855
173 HA3 GLY 26 HA3 GLY 26 0.016 -4.119 -10.292
174 H LYS 27 H LYS 27 -0.960 -1.644 -9.886
175 HA LYS 27 HA LYS 27 -0.809 -0.499 -12.567
176 HB2 LYS 27 HB2 LYS 27 -3.029 0.007 -10.596
177 HB3 LYS 27 HB3 LYS 27 -2.617 1.176 -11.844
178 HG2 LYS 27 HG2 LYS 27 -3.345 -0.191 -13.553
179 HG3 LYS 27 HG3 LYS 27 -3.170 -1.660 -12.591
180 HD2 LYS 27 HD2 LYS 27 -5.102 -1.112 -11.284
181 HD3 LYS 27 HD3 LYS 27 -5.211 0.486 -12.027
182 HE2 LYS 27 HE2 LYS 27 -5.321 -1.948 -13.751
183 HE3 LYS 27 HE3 LYS 27 -6.752 -1.470 -12.839
184 HZ1 LYS 27 HZ1 LYS 27 -5.530 0.721 -14.226
185 HZ2 LYS 27 HZ2 LYS 27 -7.142 0.209 -14.225
186 HZ3 LYS 27 HZ3 LYS 27 -6.028 -0.511 -15.275
187 H CYS 28 H CYS 28 -0.213 1.771 -12.566
188 HA CYS 28 HA CYS 28 1.288 2.495 -10.139
189 HB2 CYS 28 HB2 CYS 28 2.616 2.079 -12.225
190 HB3 CYS 28 HB3 CYS 28 1.788 3.444 -12.966
191 H TYR 29 H TYR 29 0.175 3.922 -8.974
192 HA TYR 29 HA TYR 29 -0.970 6.248 -10.366
193 HB2 TYR 29 HB2 TYR 29 -2.221 4.705 -8.085
194 HB3 TYR 29 HB3 TYR 29 -2.813 6.250 -8.685
195 HD1 TYR 29 HD1 TYR 29 -3.388 2.859 -8.801
196 HD2 TYR 29 HD2 TYR 29 -3.080 6.211 -11.403
197 HE1 TYR 29 HE1 TYR 29 -4.753 1.679 -10.473
198 HE2 TYR 29 HE2 TYR 29 -4.445 5.040 -13.082
199 HH TYR 29 HH TYR 29 -6.370 2.678 -12.562
200 H GLY 30 H GLY 30 0.357 7.864 -9.820
201 HA2 GLY 30 HA2 GLY 30 1.159 9.527 -8.409
202 HA3 GLY 30 HA3 GLY 30 0.568 8.605 -7.033
203 HA PRO 31 HA PRO 31 5.179 8.374 -6.965
204 HB2 PRO 31 HB2 PRO 31 5.377 8.720 -4.280
205 HB3 PRO 31 HB3 PRO 31 5.282 10.069 -5.418
206 HG2 PRO 31 HG2 PRO 31 3.122 8.850 -3.742
207 HG3 PRO 31 HG3 PRO 31 3.465 10.562 -4.054
208 HD2 PRO 31 HD2 PRO 31 1.507 9.209 -5.346
209 HD3 PRO 31 HD3 PRO 31 2.421 10.526 -6.109
210 H GLN 32 H GLN 32 2.588 6.727 -5.368
211 HA GLN 32 HA GLN 32 4.394 4.501 -4.690
212 HB2 GLN 32 HB2 GLN 32 1.680 5.197 -3.555
213 HB3 GLN 32 HB3 GLN 32 2.603 3.762 -3.134
214 HG2 GLN 32 HG2 GLN 32 4.318 5.066 -2.122
215 HG3 GLN 32 HG3 GLN 32 3.617 6.562 -2.735
216 HE21 GLN 32 HE21 GLN 32 4.189 6.250 -0.073
217 HE22 GLN 32 HE22 GLN 32 2.719 6.173 0.830
218 H CYS 33 H CYS 33 3.782 2.378 -5.221
219 HA CYS 33 HA CYS 33 2.144 2.211 -7.614
220 HB2 CYS 33 HB2 CYS 33 4.253 1.076 -7.724
221 HB3 CYS 33 HB3 CYS 33 3.939 0.225 -6.216
222 H LEU 34 H LEU 34 0.091 1.593 -7.612
223 HA LEU 34 HA LEU 34 -0.956 0.216 -5.231
224 HB2 LEU 34 HB2 LEU 34 -2.610 1.664 -7.276
225 HB3 LEU 34 HB3 LEU 34 -3.055 1.200 -5.634
226 HG LEU 34 HG LEU 34 -1.180 3.414 -6.457
227 HD11 LEU 34 HD11 LEU 34 -2.836 4.873 -5.966
228 HD12 LEU 34 HD12 LEU 34 -3.526 3.844 -4.713
229 HD13 LEU 34 HD13 LEU 34 -3.851 3.502 -6.412
230 HD21 LEU 34 HD21 LEU 34 -0.243 2.436 -4.501
231 HD22 LEU 34 HD22 LEU 34 -1.825 2.296 -3.736
232 HD23 LEU 34 HD23 LEU 34 -1.108 3.887 -3.995
233 H CYS 35 H CYS 35 -1.447 -1.853 -5.461
234 HA CYS 35 HA CYS 35 -1.577 -3.055 -8.084
235 HB2 CYS 35 HB2 CYS 35 -2.051 -4.395 -5.419
236 HB3 CYS 35 HB3 CYS 35 -1.605 -5.162 -6.940
237 H ARG 36 H ARG 36 -3.340 -4.285 -8.883
238 HA ARG 36 HA ARG 36 -5.938 -3.318 -7.914
239 HB2 ARG 36 HB2 ARG 36 -6.781 -3.966 -10.156
240 HB3 ARG 36 HB3 ARG 36 -5.505 -2.758 -10.223
241 HG2 ARG 36 HG2 ARG 36 -3.946 -4.270 -11.056
242 HG3 ARG 36 HG3 ARG 36 -4.885 -5.669 -10.533
243 HD2 ARG 36 HD2 ARG 36 -5.956 -3.754 -12.576
244 HD3 ARG 36 HD3 ARG 36 -4.865 -5.060 -13.036
245 HE ARG 36 HE ARG 36 -7.628 -5.292 -12.302
246 HH11 ARG 36 HH11 ARG 36 -4.566 -6.943 -12.434
247 HH12 ARG 36 HH12 ARG 36 -5.274 -8.524 -12.494
248 HH21 ARG 36 HH21 ARG 36 -8.571 -7.368 -12.380
249 HH22 ARG 36 HH22 ARG 36 -7.551 -8.764 -12.464
Start of MODEL 5
1 H MET 1 H MET 1 2.194 0.230 0.903
2 HA MET 1 HA MET 1 1.474 -0.209 -1.911
3 HB2 MET 1 HB2 MET 1 3.303 1.305 -2.599
4 HB3 MET 1 HB3 MET 1 2.033 2.142 -1.717
5 HG2 MET 1 HG2 MET 1 3.792 3.044 -0.646
6 HG3 MET 1 HG3 MET 1 3.654 1.578 0.323
7 HE1 MET 1 HE1 MET 1 6.658 2.972 0.405
8 HE2 MET 1 HE2 MET 1 7.361 3.054 -1.210
9 HE3 MET 1 HE3 MET 1 5.830 3.863 -0.871
10 H CYS 2 H CYS 2 2.732 -1.649 -2.998
11 HA CYS 2 HA CYS 2 4.422 -3.362 -1.450
12 HB2 CYS 2 HB2 CYS 2 2.917 -4.092 -3.350
13 HB3 CYS 2 HB3 CYS 2 4.086 -3.371 -4.451
14 H MET 3 H MET 3 4.922 -0.838 -3.841
15 HA MET 3 HA MET 3 7.643 -0.498 -3.004
16 HB2 MET 3 HB2 MET 3 8.775 -1.073 -4.986
17 HB3 MET 3 HB3 MET 3 7.683 -2.418 -4.689
18 HG2 MET 3 HG2 MET 3 6.123 -1.531 -6.332
19 HG3 MET 3 HG3 MET 3 7.190 -0.157 -6.613
20 HE1 MET 3 HE1 MET 3 10.198 -1.458 -8.327
21 HE2 MET 3 HE2 MET 3 9.668 -0.556 -6.908
22 HE3 MET 3 HE3 MET 3 10.259 -2.209 -6.733
23 HA PRO 4 HA PRO 4 6.840 3.621 -4.288
24 HB2 PRO 4 HB2 PRO 4 9.344 4.493 -4.871
25 HB3 PRO 4 HB3 PRO 4 8.786 4.209 -3.218
26 HG2 PRO 4 HG2 PRO 4 10.444 2.452 -4.985
27 HG3 PRO 4 HG3 PRO 4 10.647 2.816 -3.262
28 HD2 PRO 4 HD2 PRO 4 9.514 0.519 -4.141
29 HD3 PRO 4 HD3 PRO 4 9.033 1.300 -2.622
30 H CYS 5 H CYS 5 6.010 4.390 -6.119
31 HA CYS 5 HA CYS 5 7.110 3.445 -8.675
32 HB2 CYS 5 HB2 CYS 5 4.534 3.374 -7.801
33 HB3 CYS 5 HB3 CYS 5 4.542 4.898 -8.683
34 H PHE 6 H PHE 6 6.823 5.067 -10.514
35 HA PHE 6 HA PHE 6 7.180 7.840 -9.683
36 HB2 PHE 6 HB2 PHE 6 9.251 6.234 -11.180
37 HB3 PHE 6 HB3 PHE 6 9.215 7.994 -11.203
38 HD1 PHE 6 HD1 PHE 6 10.044 9.260 -9.393
39 HD2 PHE 6 HD2 PHE 6 9.622 5.041 -9.030
40 HE1 PHE 6 HE1 PHE 6 11.338 9.315 -7.301
41 HE2 PHE 6 HE2 PHE 6 10.915 5.088 -6.937
42 HZ PHE 6 HZ PHE 6 11.775 7.227 -6.070
43 H THR 7 H THR 7 6.287 9.241 -11.076
44 HA THR 7 HA THR 7 4.848 8.221 -13.340
45 HB THR 7 HB THR 7 4.137 10.581 -13.670
46 HG1 THR 7 HG1 THR 7 5.370 11.277 -11.245
47 HG21 THR 7 HG21 THR 7 2.625 9.512 -12.312
48 HG22 THR 7 HG22 THR 7 3.174 10.783 -11.219
49 HG23 THR 7 HG23 THR 7 3.828 9.153 -11.073
50 H THR 8 H THR 8 7.755 10.131 -12.836
51 HA THR 8 HA THR 8 8.103 10.850 -15.576
52 HB THR 8 HB THR 8 9.130 12.135 -13.726
53 HG1 THR 8 HG1 THR 8 10.158 12.521 -15.607
54 HG21 THR 8 HG21 THR 8 9.755 10.112 -12.372
55 HG22 THR 8 HG22 THR 8 11.032 11.320 -12.529
56 HG23 THR 8 HG23 THR 8 11.084 9.849 -13.500
57 H ASP 9 H ASP 9 8.825 8.050 -13.700
58 HA ASP 9 HA ASP 9 10.769 7.036 -15.609
59 HB2 ASP 9 HB2 ASP 9 9.603 5.811 -13.101
60 HB3 ASP 9 HB3 ASP 9 10.851 5.062 -14.094
61 H HIS 10 H HIS 10 10.346 5.640 -17.208
62 HA HIS 10 HA HIS 10 7.573 4.817 -17.598
63 HB2 HIS 10 HB2 HIS 10 9.975 4.849 -19.429
64 HB3 HIS 10 HB3 HIS 10 8.430 4.137 -19.886
65 HD1 HIS 10 HD1 HIS 10 7.477 5.726 -21.533
66 HD2 HIS 10 HD2 HIS 10 9.030 7.675 -18.210
67 HE1 HIS 10 HE1 HIS 10 6.887 8.152 -21.840
68 H GLN 11 H GLN 11 10.779 3.468 -17.126
69 HA GLN 11 HA GLN 11 9.907 0.752 -17.548
70 HB2 GLN 11 HB2 GLN 11 12.195 0.155 -16.841
71 HB3 GLN 11 HB3 GLN 11 12.185 1.358 -18.124
72 HG2 GLN 11 HG2 GLN 11 12.942 3.033 -16.750
73 HG3 GLN 11 HG3 GLN 11 12.332 2.257 -15.289
74 HE21 GLN 11 HE21 GLN 11 14.808 3.228 -15.192
75 HE22 GLN 11 HE22 GLN 11 15.982 1.963 -15.226
76 H MET 12 H MET 12 9.842 2.963 -14.979
77 HA MET 12 HA MET 12 10.215 1.289 -12.759
78 HB2 MET 12 HB2 MET 12 10.174 3.716 -12.559
79 HB3 MET 12 HB3 MET 12 8.484 3.752 -13.046
80 HG2 MET 12 HG2 MET 12 8.479 4.006 -10.718
81 HG3 MET 12 HG3 MET 12 8.002 2.336 -11.014
82 HE1 MET 12 HE1 MET 12 8.319 1.116 -9.338
83 HE2 MET 12 HE2 MET 12 9.743 0.149 -9.715
84 HE3 MET 12 HE3 MET 12 9.653 1.026 -8.188
85 H ALA 13 H ALA 13 7.325 2.055 -14.650
86 HA ALA 13 HA ALA 13 5.376 0.862 -13.099
87 HB1 ALA 13 HB1 ALA 13 4.724 0.257 -15.768
88 HB2 ALA 13 HB2 ALA 13 4.169 1.622 -14.796
89 HB3 ALA 13 HB3 ALA 13 5.614 1.781 -15.796
90 H ARG 14 H ARG 14 7.692 -0.630 -15.285
91 HA ARG 14 HA ARG 14 6.626 -3.163 -15.552
92 HB2 ARG 14 HB2 ARG 14 8.972 -1.964 -16.278
93 HB3 ARG 14 HB3 ARG 14 9.529 -3.120 -15.076
94 HG2 ARG 14 HG2 ARG 14 7.906 -4.697 -16.536
95 HG3 ARG 14 HG3 ARG 14 8.447 -3.562 -17.774
96 HD2 ARG 14 HD2 ARG 14 10.577 -4.541 -16.018
97 HD3 ARG 14 HD3 ARG 14 9.801 -5.798 -16.981
98 HE ARG 14 HE ARG 14 11.575 -3.776 -17.918
99 HH11 ARG 14 HH11 ARG 14 8.816 -5.704 -18.809
100 HH12 ARG 14 HH12 ARG 14 9.151 -5.632 -20.508
101 HH21 ARG 14 HH21 ARG 14 12.026 -3.674 -20.152
102 HH22 ARG 14 HH22 ARG 14 10.977 -4.478 -21.270
103 H LYS 15 H LYS 15 8.786 -1.980 -12.982
104 HA LYS 15 HA LYS 15 8.765 -4.408 -11.512
105 HB2 LYS 15 HB2 LYS 15 9.446 -1.584 -10.675
106 HB3 LYS 15 HB3 LYS 15 9.708 -3.004 -9.670
107 HG2 LYS 15 HG2 LYS 15 11.405 -3.811 -11.024
108 HG3 LYS 15 HG3 LYS 15 10.888 -2.850 -12.412
109 HD2 LYS 15 HD2 LYS 15 11.835 -1.504 -9.911
110 HD3 LYS 15 HD3 LYS 15 13.000 -2.137 -11.077
111 HE2 LYS 15 HE2 LYS 15 11.271 -0.787 -12.695
112 HE3 LYS 15 HE3 LYS 15 11.241 0.206 -11.238
113 HZ1 LYS 15 HZ1 LYS 15 13.744 -0.643 -12.582
114 HZ2 LYS 15 HZ2 LYS 15 13.575 0.505 -11.352
115 HZ3 LYS 15 HZ3 LYS 15 12.971 0.828 -12.898
116 H CYS 16 H CYS 16 6.905 -1.408 -11.287
117 HA CYS 16 HA CYS 16 5.561 -1.798 -8.918
118 HB2 CYS 16 HB2 CYS 16 5.236 0.262 -10.035
119 HB3 CYS 16 HB3 CYS 16 4.684 -0.531 -11.507
120 H ASP 17 H ASP 17 4.952 -3.267 -12.050
121 HA ASP 17 HA ASP 17 2.503 -4.526 -11.225
122 HB2 ASP 17 HB2 ASP 17 4.206 -5.239 -13.616
123 HB3 ASP 17 HB3 ASP 17 2.485 -5.546 -13.392
124 H ASP 18 H ASP 18 5.886 -5.440 -11.477
125 HA ASP 18 HA ASP 18 5.563 -8.214 -11.096
126 HB2 ASP 18 HB2 ASP 18 7.654 -6.882 -11.843
127 HB3 ASP 18 HB3 ASP 18 7.964 -6.690 -10.119
128 H CYS 19 H CYS 19 6.297 -5.612 -8.782
129 HA CYS 19 HA CYS 19 6.486 -7.133 -6.475
130 HB2 CYS 19 HB2 CYS 19 6.813 -4.564 -6.900
131 HB3 CYS 19 HB3 CYS 19 5.130 -4.463 -6.395
132 H CYS 20 H CYS 20 3.637 -5.998 -8.181
133 HA CYS 20 HA CYS 20 1.772 -6.687 -6.139
134 HB2 CYS 20 HB2 CYS 20 1.416 -6.202 -9.102
135 HB3 CYS 20 HB3 CYS 20 0.083 -6.454 -7.981
136 H GLY 21 H GLY 21 3.331 -8.426 -8.711
137 HA2 GLY 21 HA2 GLY 21 2.902 -10.953 -7.763
138 HA3 GLY 21 HA3 GLY 21 1.480 -10.623 -8.740
139 H GLY 22 H GLY 22 1.960 -9.808 -11.000
140 HA2 GLY 22 HA2 GLY 22 4.506 -10.734 -12.082
141 HA3 GLY 22 HA3 GLY 22 3.070 -11.593 -12.620
142 H LYS 23 H LYS 23 4.530 -10.457 -14.534
143 HA LYS 23 HA LYS 23 4.158 -7.805 -15.195
144 HB2 LYS 23 HB2 LYS 23 5.604 -9.332 -16.458
145 HB3 LYS 23 HB3 LYS 23 4.189 -10.179 -17.068
146 HG2 LYS 23 HG2 LYS 23 4.825 -8.779 -18.816
147 HG3 LYS 23 HG3 LYS 23 3.482 -7.928 -18.047
148 HD2 LYS 23 HD2 LYS 23 6.231 -7.337 -17.087
149 HD3 LYS 23 HD3 LYS 23 5.759 -6.708 -18.667
150 HE2 LYS 23 HE2 LYS 23 3.590 -6.024 -17.243
151 HE3 LYS 23 HE3 LYS 23 4.803 -5.984 -15.963
152 HZ1 LYS 23 HZ1 LYS 23 6.092 -4.638 -17.820
153 HZ2 LYS 23 HZ2 LYS 23 5.031 -3.886 -16.739
154 HZ3 LYS 23 HZ3 LYS 23 4.515 -4.267 -18.304
155 H GLY 24 H GLY 24 2.382 -6.628 -15.447
156 HA2 GLY 24 HA2 GLY 24 0.381 -6.145 -16.679
157 HA3 GLY 24 HA3 GLY 24 0.043 -7.869 -16.731
158 H ARG 25 H ARG 25 0.869 -7.936 -13.782
159 HA ARG 25 HA ARG 25 -1.802 -7.342 -12.775
160 HB2 ARG 25 HB2 ARG 25 0.428 -8.632 -11.218
161 HB3 ARG 25 HB3 ARG 25 -1.306 -8.768 -10.960
162 HG2 ARG 25 HG2 ARG 25 -1.173 -9.800 -13.414
163 HG3 ARG 25 HG3 ARG 25 0.451 -10.203 -12.851
164 HD2 ARG 25 HD2 ARG 25 -0.716 -11.114 -10.757
165 HD3 ARG 25 HD3 ARG 25 -2.197 -11.037 -11.711
166 HE ARG 25 HE ARG 25 -0.192 -12.411 -13.146
167 HH11 ARG 25 HH11 ARG 25 -2.342 -12.783 -10.432
168 HH12 ARG 25 HH12 ARG 25 -2.431 -14.507 -10.572
169 HH21 ARG 25 HH21 ARG 25 -0.301 -14.681 -13.341
170 HH22 ARG 25 HH22 ARG 25 -1.269 -15.586 -12.227
171 H GLY 26 H GLY 26 -2.221 -5.488 -11.783
172 HA2 GLY 26 HA2 GLY 26 -1.735 -4.078 -9.845
173 HA3 GLY 26 HA3 GLY 26 -0.036 -4.184 -10.282
174 H LYS 27 H LYS 27 -0.688 -1.738 -9.914
175 HA LYS 27 HA LYS 27 -0.639 -0.554 -12.542
176 HB2 LYS 27 HB2 LYS 27 -3.123 -0.798 -11.317
177 HB3 LYS 27 HB3 LYS 27 -2.637 0.855 -10.963
178 HG2 LYS 27 HG2 LYS 27 -2.456 -0.217 -13.748
179 HG3 LYS 27 HG3 LYS 27 -3.989 0.372 -13.103
180 HD2 LYS 27 HD2 LYS 27 -3.371 2.480 -13.458
181 HD3 LYS 27 HD3 LYS 27 -1.909 2.247 -12.497
182 HE2 LYS 27 HE2 LYS 27 -0.987 2.795 -14.520
183 HE3 LYS 27 HE3 LYS 27 -1.066 1.041 -14.677
184 HZ1 LYS 27 HZ1 LYS 27 -3.448 2.413 -15.548
185 HZ2 LYS 27 HZ2 LYS 27 -2.569 1.184 -16.306
186 HZ3 LYS 27 HZ3 LYS 27 -2.072 2.794 -16.456
187 H CYS 28 H CYS 28 0.062 1.632 -12.532
188 HA CYS 28 HA CYS 28 1.390 2.388 -10.022
189 HB2 CYS 28 HB2 CYS 28 2.820 2.034 -12.033
190 HB3 CYS 28 HB3 CYS 28 1.970 3.353 -12.830
191 H TYR 29 H TYR 29 0.207 3.775 -8.876
192 HA TYR 29 HA TYR 29 -1.048 6.029 -10.300
193 HB2 TYR 29 HB2 TYR 29 -2.052 4.473 -7.918
194 HB3 TYR 29 HB3 TYR 29 -2.699 6.047 -8.366
195 HD1 TYR 29 HD1 TYR 29 -3.330 2.682 -8.579
196 HD2 TYR 29 HD2 TYR 29 -3.222 6.136 -11.061
197 HE1 TYR 29 HE1 TYR 29 -4.873 1.592 -10.154
198 HE2 TYR 29 HE2 TYR 29 -4.765 5.055 -12.642
199 HH TYR 29 HH TYR 29 -5.275 2.110 -12.992
200 H GLY 30 H GLY 30 0.298 7.696 -9.965
201 HA2 GLY 30 HA2 GLY 30 1.215 9.450 -8.768
202 HA3 GLY 30 HA3 GLY 30 0.606 8.713 -7.294
203 HA PRO 31 HA PRO 31 5.188 8.356 -7.128
204 HB2 PRO 31 HB2 PRO 31 5.342 8.838 -4.462
205 HB3 PRO 31 HB3 PRO 31 5.287 10.128 -5.669
206 HG2 PRO 31 HG2 PRO 31 3.080 9.025 -3.974
207 HG3 PRO 31 HG3 PRO 31 3.452 10.713 -4.366
208 HD2 PRO 31 HD2 PRO 31 1.499 9.322 -5.625
209 HD3 PRO 31 HD3 PRO 31 2.446 10.585 -6.437
210 H GLN 32 H GLN 32 2.548 6.835 -5.479
211 HA GLN 32 HA GLN 32 4.308 4.621 -4.660
212 HB2 GLN 32 HB2 GLN 32 1.567 5.367 -3.622
213 HB3 GLN 32 HB3 GLN 32 2.524 3.994 -3.077
214 HG2 GLN 32 HG2 GLN 32 4.132 5.379 -2.069
215 HG3 GLN 32 HG3 GLN 32 3.531 6.814 -2.900
216 HE21 GLN 32 HE21 GLN 32 3.914 6.175 -0.024
217 HE22 GLN 32 HE22 GLN 32 2.385 6.492 0.714
218 H CYS 33 H CYS 33 3.808 2.525 -5.232
219 HA CYS 33 HA CYS 33 2.123 2.254 -7.574
220 HB2 CYS 33 HB2 CYS 33 4.251 1.160 -7.684
221 HB3 CYS 33 HB3 CYS 33 3.978 0.346 -6.146
222 H LEU 34 H LEU 34 0.086 1.582 -7.539
223 HA LEU 34 HA LEU 34 -0.871 0.134 -5.158
224 HB2 LEU 34 HB2 LEU 34 -2.661 1.718 -6.960
225 HB3 LEU 34 HB3 LEU 34 -2.926 1.221 -5.290
226 HG LEU 34 HG LEU 34 -0.983 3.349 -6.186
227 HD11 LEU 34 HD11 LEU 34 -2.523 4.961 -5.523
228 HD12 LEU 34 HD12 LEU 34 -3.510 3.796 -4.641
229 HD13 LEU 34 HD13 LEU 34 -3.504 3.790 -6.404
230 HD21 LEU 34 HD21 LEU 34 -1.156 1.850 -3.787
231 HD22 LEU 34 HD22 LEU 34 -1.694 3.493 -3.439
232 HD23 LEU 34 HD23 LEU 34 -0.106 3.218 -4.155
233 H CYS 35 H CYS 35 -1.303 -1.923 -5.557
234 HA CYS 35 HA CYS 35 -1.546 -2.969 -8.194
235 HB2 CYS 35 HB2 CYS 35 -2.296 -4.374 -5.628
236 HB3 CYS 35 HB3 CYS 35 -1.802 -5.108 -7.150
237 H ARG 36 H ARG 36 -3.284 -2.963 -9.442
238 HA ARG 36 HA ARG 36 -5.869 -2.258 -8.374
239 HB2 ARG 36 HB2 ARG 36 -6.597 -2.117 -10.641
240 HB3 ARG 36 HB3 ARG 36 -4.977 -1.435 -10.579
241 HG2 ARG 36 HG2 ARG 36 -4.103 -3.632 -11.376
242 HG3 ARG 36 HG3 ARG 36 -5.776 -4.147 -11.604
243 HD2 ARG 36 HD2 ARG 36 -6.141 -2.331 -13.178
244 HD3 ARG 36 HD3 ARG 36 -4.498 -1.748 -12.912
245 HE ARG 36 HE ARG 36 -4.136 -4.305 -13.734
246 HH11 ARG 36 HH11 ARG 36 -5.896 -1.591 -15.020
247 HH12 ARG 36 HH12 ARG 36 -5.697 -2.077 -16.670
248 HH21 ARG 36 HH21 ARG 36 -3.868 -4.956 -15.903
249 HH22 ARG 36 HH22 ARG 36 -4.545 -3.992 -17.171
Start of MODEL 6
1 H MET 1 H MET 1 2.117 0.084 0.833
2 HA MET 1 HA MET 1 1.390 -0.238 -1.961
3 HB2 MET 1 HB2 MET 1 3.168 1.300 -2.735
4 HB3 MET 1 HB3 MET 1 1.881 2.132 -1.872
5 HG2 MET 1 HG2 MET 1 3.628 3.131 -0.864
6 HG3 MET 1 HG3 MET 1 3.536 1.706 0.170
7 HE1 MET 1 HE1 MET 1 6.844 3.501 -1.647
8 HE2 MET 1 HE2 MET 1 5.574 3.863 -0.479
9 HE3 MET 1 HE3 MET 1 6.970 2.901 0.007
10 H CYS 2 H CYS 2 2.678 -1.672 -3.025
11 HA CYS 2 HA CYS 2 4.416 -3.304 -1.457
12 HB2 CYS 2 HB2 CYS 2 2.954 -4.115 -3.343
13 HB3 CYS 2 HB3 CYS 2 4.079 -3.349 -4.459
14 H MET 3 H MET 3 4.871 -0.827 -3.916
15 HA MET 3 HA MET 3 7.573 -0.387 -3.049
16 HB2 MET 3 HB2 MET 3 8.745 -0.986 -4.992
17 HB3 MET 3 HB3 MET 3 7.662 -2.341 -4.707
18 HG2 MET 3 HG2 MET 3 6.126 -1.485 -6.390
19 HG3 MET 3 HG3 MET 3 7.187 -0.104 -6.663
20 HE1 MET 3 HE1 MET 3 10.229 -1.359 -8.299
21 HE2 MET 3 HE2 MET 3 9.677 -0.508 -6.856
22 HE3 MET 3 HE3 MET 3 10.288 -2.158 -6.728
23 HA PRO 4 HA PRO 4 6.676 3.682 -4.428
24 HB2 PRO 4 HB2 PRO 4 9.160 4.604 -5.020
25 HB3 PRO 4 HB3 PRO 4 8.602 4.342 -3.363
26 HG2 PRO 4 HG2 PRO 4 10.311 2.589 -5.087
27 HG3 PRO 4 HG3 PRO 4 10.498 2.995 -3.372
28 HD2 PRO 4 HD2 PRO 4 9.427 0.652 -4.205
29 HD3 PRO 4 HD3 PRO 4 8.920 1.453 -2.705
30 H CYS 5 H CYS 5 5.834 4.391 -6.277
31 HA CYS 5 HA CYS 5 6.954 3.408 -8.808
32 HB2 CYS 5 HB2 CYS 5 4.395 3.282 -7.965
33 HB3 CYS 5 HB3 CYS 5 4.357 4.835 -8.793
34 H PHE 6 H PHE 6 6.698 4.972 -10.683
35 HA PHE 6 HA PHE 6 6.996 7.773 -9.928
36 HB2 PHE 6 HB2 PHE 6 9.127 6.141 -11.300
37 HB3 PHE 6 HB3 PHE 6 9.059 7.895 -11.434
38 HD1 PHE 6 HD1 PHE 6 9.850 9.282 -9.705
39 HD2 PHE 6 HD2 PHE 6 9.444 5.095 -9.057
40 HE1 PHE 6 HE1 PHE 6 11.093 9.492 -7.592
41 HE2 PHE 6 HE2 PHE 6 10.685 5.299 -6.943
42 HZ PHE 6 HZ PHE 6 11.511 7.500 -6.207
43 H THR 7 H THR 7 5.764 8.934 -11.235
44 HA THR 7 HA THR 7 4.543 7.864 -13.555
45 HB THR 7 HB THR 7 3.643 10.124 -13.917
46 HG1 THR 7 HG1 THR 7 4.703 11.778 -13.150
47 HG21 THR 7 HG21 THR 7 2.992 8.444 -11.923
48 HG22 THR 7 HG22 THR 7 2.162 9.974 -12.204
49 HG23 THR 7 HG23 THR 7 3.426 9.868 -10.979
50 H THR 8 H THR 8 7.316 9.964 -13.036
51 HA THR 8 HA THR 8 7.667 10.647 -15.785
52 HB THR 8 HB THR 8 8.575 12.079 -14.025
53 HG1 THR 8 HG1 THR 8 10.790 12.156 -14.911
54 HG21 THR 8 HG21 THR 8 9.341 9.775 -12.783
55 HG22 THR 8 HG22 THR 8 9.926 11.386 -12.362
56 HG23 THR 8 HG23 THR 8 10.875 10.355 -13.432
57 H ASP 9 H ASP 9 8.539 7.945 -13.830
58 HA ASP 9 HA ASP 9 10.598 7.026 -15.661
59 HB2 ASP 9 HB2 ASP 9 9.416 5.674 -13.226
60 HB3 ASP 9 HB3 ASP 9 10.837 5.136 -14.119
61 H HIS 10 H HIS 10 10.329 5.568 -17.241
62 HA HIS 10 HA HIS 10 7.625 4.581 -17.730
63 HB2 HIS 10 HB2 HIS 10 10.094 4.824 -19.433
64 HB3 HIS 10 HB3 HIS 10 8.724 3.843 -19.947
65 HD1 HIS 10 HD1 HIS 10 6.436 5.159 -20.314
66 HD2 HIS 10 HD2 HIS 10 9.823 7.520 -19.851
67 HE1 HIS 10 HE1 HIS 10 5.783 7.441 -21.144
68 H GLN 11 H GLN 11 10.885 3.418 -17.118
69 HA GLN 11 HA GLN 11 10.164 0.651 -17.489
70 HB2 GLN 11 HB2 GLN 11 12.471 0.216 -16.637
71 HB3 GLN 11 HB3 GLN 11 12.414 1.280 -18.036
72 HG2 GLN 11 HG2 GLN 11 13.002 3.144 -16.811
73 HG3 GLN 11 HG3 GLN 11 12.477 2.435 -15.285
74 HE21 GLN 11 HE21 GLN 11 15.080 3.018 -17.352
75 HE22 GLN 11 HE22 GLN 11 16.272 2.088 -16.517
76 H MET 12 H MET 12 9.919 2.921 -14.984
77 HA MET 12 HA MET 12 10.297 1.279 -12.724
78 HB2 MET 12 HB2 MET 12 10.244 3.716 -12.568
79 HB3 MET 12 HB3 MET 12 8.557 3.729 -13.064
80 HG2 MET 12 HG2 MET 12 8.496 4.007 -10.754
81 HG3 MET 12 HG3 MET 12 8.107 2.307 -11.008
82 HE1 MET 12 HE1 MET 12 9.991 1.034 -8.201
83 HE2 MET 12 HE2 MET 12 8.474 1.284 -9.066
84 HE3 MET 12 HE3 MET 12 9.734 0.267 -9.769
85 H ALA 13 H ALA 13 7.429 2.036 -14.657
86 HA ALA 13 HA ALA 13 5.461 0.851 -13.131
87 HB1 ALA 13 HB1 ALA 13 5.736 0.990 -16.127
88 HB2 ALA 13 HB2 ALA 13 4.272 0.459 -15.298
89 HB3 ALA 13 HB3 ALA 13 4.867 2.104 -15.072
90 H ARG 14 H ARG 14 7.820 -0.662 -15.252
91 HA ARG 14 HA ARG 14 6.765 -3.197 -15.523
92 HB2 ARG 14 HB2 ARG 14 8.993 -2.127 -16.406
93 HB3 ARG 14 HB3 ARG 14 9.688 -2.870 -14.971
94 HG2 ARG 14 HG2 ARG 14 10.030 -4.480 -16.583
95 HG3 ARG 14 HG3 ARG 14 8.534 -5.024 -15.821
96 HD2 ARG 14 HD2 ARG 14 8.165 -5.202 -18.141
97 HD3 ARG 14 HD3 ARG 14 7.311 -3.745 -17.636
98 HE ARG 14 HE ARG 14 9.915 -3.076 -18.481
99 HH11 ARG 14 HH11 ARG 14 6.845 -4.133 -19.738
100 HH12 ARG 14 HH12 ARG 14 7.076 -3.389 -21.286
101 HH21 ARG 14 HH21 ARG 14 10.231 -2.094 -20.516
102 HH22 ARG 14 HH22 ARG 14 9.003 -2.231 -21.728
103 H LYS 15 H LYS 15 8.942 -2.058 -12.941
104 HA LYS 15 HA LYS 15 8.851 -4.450 -11.443
105 HB2 LYS 15 HB2 LYS 15 9.473 -1.627 -10.555
106 HB3 LYS 15 HB3 LYS 15 9.778 -3.072 -9.600
107 HG2 LYS 15 HG2 LYS 15 11.489 -3.788 -10.998
108 HG3 LYS 15 HG3 LYS 15 10.954 -2.767 -12.334
109 HD2 LYS 15 HD2 LYS 15 11.826 -1.491 -9.781
110 HD3 LYS 15 HD3 LYS 15 13.046 -2.102 -10.902
111 HE2 LYS 15 HE2 LYS 15 11.362 -0.733 -12.566
112 HE3 LYS 15 HE3 LYS 15 11.305 0.244 -11.100
113 HZ1 LYS 15 HZ1 LYS 15 13.158 1.153 -11.920
114 HZ2 LYS 15 HZ2 LYS 15 13.463 -0.132 -12.977
115 HZ3 LYS 15 HZ3 LYS 15 13.936 -0.240 -11.356
116 H CYS 16 H CYS 16 6.984 -1.449 -11.268
117 HA CYS 16 HA CYS 16 5.579 -1.840 -8.935
118 HB2 CYS 16 HB2 CYS 16 5.259 0.218 -10.034
119 HB3 CYS 16 HB3 CYS 16 4.797 -0.560 -11.544
120 H ASP 17 H ASP 17 5.056 -3.317 -12.080
121 HA ASP 17 HA ASP 17 2.580 -4.566 -11.337
122 HB2 ASP 17 HB2 ASP 17 4.358 -5.364 -13.638
123 HB3 ASP 17 HB3 ASP 17 2.616 -5.573 -13.491
124 H ASP 18 H ASP 18 5.965 -5.521 -11.491
125 HA ASP 18 HA ASP 18 5.587 -8.280 -11.043
126 HB2 ASP 18 HB2 ASP 18 7.702 -7.148 -11.855
127 HB3 ASP 18 HB3 ASP 18 7.992 -6.666 -10.186
128 H CYS 19 H CYS 19 6.329 -5.621 -8.799
129 HA CYS 19 HA CYS 19 6.494 -7.069 -6.447
130 HB2 CYS 19 HB2 CYS 19 6.800 -4.501 -6.968
131 HB3 CYS 19 HB3 CYS 19 5.127 -4.409 -6.428
132 H CYS 20 H CYS 20 3.656 -5.967 -8.198
133 HA CYS 20 HA CYS 20 1.784 -6.629 -6.148
134 HB2 CYS 20 HB2 CYS 20 1.429 -6.146 -9.111
135 HB3 CYS 20 HB3 CYS 20 0.096 -6.385 -7.986
136 H GLY 21 H GLY 21 3.332 -8.378 -8.720
137 HA2 GLY 21 HA2 GLY 21 2.890 -10.902 -7.773
138 HA3 GLY 21 HA3 GLY 21 1.468 -10.563 -8.749
139 H GLY 22 H GLY 22 1.944 -9.765 -11.010
140 HA2 GLY 22 HA2 GLY 22 4.486 -10.695 -12.094
141 HA3 GLY 22 HA3 GLY 22 3.049 -11.555 -12.626
142 H LYS 23 H LYS 23 4.492 -10.435 -14.554
143 HA LYS 23 HA LYS 23 4.127 -7.783 -15.224
144 HB2 LYS 23 HB2 LYS 23 5.544 -9.394 -16.473
145 HB3 LYS 23 HB3 LYS 23 4.089 -10.129 -17.132
146 HG2 LYS 23 HG2 LYS 23 3.592 -8.262 -18.440
147 HG3 LYS 23 HG3 LYS 23 4.672 -7.215 -17.514
148 HD2 LYS 23 HD2 LYS 23 6.606 -8.303 -18.419
149 HD3 LYS 23 HD3 LYS 23 5.610 -9.539 -19.189
150 HE2 LYS 23 HE2 LYS 23 6.433 -7.779 -20.746
151 HE3 LYS 23 HE3 LYS 23 4.677 -7.938 -20.703
152 HZ1 LYS 23 HZ1 LYS 23 4.482 -5.991 -19.417
153 HZ2 LYS 23 HZ2 LYS 23 5.569 -5.608 -20.655
154 HZ3 LYS 23 HZ3 LYS 23 6.141 -5.925 -19.096
155 H GLY 24 H GLY 24 2.355 -6.601 -15.469
156 HA2 GLY 24 HA2 GLY 24 0.347 -6.116 -16.691
157 HA3 GLY 24 HA3 GLY 24 0.001 -7.838 -16.730
158 H ARG 25 H ARG 25 0.848 -7.892 -13.787
159 HA ARG 25 HA ARG 25 -1.811 -7.271 -12.764
160 HB2 ARG 25 HB2 ARG 25 0.413 -8.581 -11.216
161 HB3 ARG 25 HB3 ARG 25 -1.321 -8.700 -10.951
162 HG2 ARG 25 HG2 ARG 25 -1.198 -9.736 -13.411
163 HG3 ARG 25 HG3 ARG 25 0.417 -10.159 -12.837
164 HD2 ARG 25 HD2 ARG 25 -0.403 -11.488 -11.121
165 HD3 ARG 25 HD3 ARG 25 -1.980 -10.700 -11.133
166 HE ARG 25 HE ARG 25 -1.498 -12.044 -13.584
167 HH11 ARG 25 HH11 ARG 25 -2.348 -12.595 -10.252
168 HH12 ARG 25 HH12 ARG 25 -3.207 -14.064 -10.579
169 HH21 ARG 25 HH21 ARG 25 -2.627 -13.976 -14.026
170 HH22 ARG 25 HH22 ARG 25 -3.365 -14.848 -12.726
171 H GLY 26 H GLY 26 -2.201 -5.406 -11.781
172 HA2 GLY 26 HA2 GLY 26 -1.691 -3.993 -9.851
173 HA3 GLY 26 HA3 GLY 26 0.005 -4.128 -10.288
174 H LYS 27 H LYS 27 -0.972 -1.660 -9.865
175 HA LYS 27 HA LYS 27 -0.829 -0.494 -12.538
176 HB2 LYS 27 HB2 LYS 27 -3.069 -0.078 -10.581
177 HB3 LYS 27 HB3 LYS 27 -2.634 1.189 -11.720
178 HG2 LYS 27 HG2 LYS 27 -3.341 -0.017 -13.544
179 HG3 LYS 27 HG3 LYS 27 -3.141 -1.570 -12.729
180 HD2 LYS 27 HD2 LYS 27 -5.122 -1.303 -11.497
181 HD3 LYS 27 HD3 LYS 27 -5.197 0.429 -11.834
182 HE2 LYS 27 HE2 LYS 27 -5.546 -1.773 -13.868
183 HE3 LYS 27 HE3 LYS 27 -6.853 -0.850 -13.128
184 HZ1 LYS 27 HZ1 LYS 27 -5.266 1.094 -14.081
185 HZ2 LYS 27 HZ2 LYS 27 -6.603 0.463 -14.903
186 HZ3 LYS 27 HZ3 LYS 27 -5.049 -0.106 -15.255
187 H CYS 28 H CYS 28 -0.248 1.783 -12.518
188 HA CYS 28 HA CYS 28 1.269 2.487 -10.095
189 HB2 CYS 28 HB2 CYS 28 2.597 2.104 -12.175
190 HB3 CYS 28 HB3 CYS 28 1.739 3.446 -12.924
191 H TYR 29 H TYR 29 0.159 3.896 -8.905
192 HA TYR 29 HA TYR 29 -1.011 6.230 -10.261
193 HB2 TYR 29 HB2 TYR 29 -2.230 4.670 -7.974
194 HB3 TYR 29 HB3 TYR 29 -2.841 6.207 -8.575
195 HD1 TYR 29 HD1 TYR 29 -3.460 2.847 -8.639
196 HD2 TYR 29 HD2 TYR 29 -3.050 6.120 -11.327
197 HE1 TYR 29 HE1 TYR 29 -4.824 1.648 -10.297
198 HE2 TYR 29 HE2 TYR 29 -4.415 4.930 -12.993
199 HH TYR 29 HH TYR 29 -6.249 2.191 -12.247
200 H GLY 30 H GLY 30 0.248 7.886 -9.698
201 HA2 GLY 30 HA2 GLY 30 1.053 9.532 -8.272
202 HA3 GLY 30 HA3 GLY 30 0.520 8.565 -6.903
203 HA PRO 31 HA PRO 31 5.137 8.448 -6.965
204 HB2 PRO 31 HB2 PRO 31 5.402 8.758 -4.281
205 HB3 PRO 31 HB3 PRO 31 5.245 10.122 -5.394
206 HG2 PRO 31 HG2 PRO 31 3.161 8.827 -3.679
207 HG3 PRO 31 HG3 PRO 31 3.455 10.551 -3.973
208 HD2 PRO 31 HD2 PRO 31 1.493 9.172 -5.232
209 HD3 PRO 31 HD3 PRO 31 2.355 10.522 -5.999
210 H GLN 32 H GLN 32 2.627 6.708 -5.344
211 HA GLN 32 HA GLN 32 4.501 4.508 -4.774
212 HB2 GLN 32 HB2 GLN 32 1.844 5.143 -3.481
213 HB3 GLN 32 HB3 GLN 32 2.815 3.719 -3.131
214 HG2 GLN 32 HG2 GLN 32 4.581 5.073 -2.236
215 HG3 GLN 32 HG3 GLN 32 3.750 6.550 -2.724
216 HE21 GLN 32 HE21 GLN 32 3.994 7.122 -0.463
217 HE22 GLN 32 HE22 GLN 32 2.831 6.555 0.681
218 H CYS 33 H CYS 33 3.895 2.389 -5.315
219 HA CYS 33 HA CYS 33 2.161 2.232 -7.631
220 HB2 CYS 33 HB2 CYS 33 4.246 1.073 -7.817
221 HB3 CYS 33 HB3 CYS 33 3.987 0.237 -6.290
222 H LEU 34 H LEU 34 0.128 1.536 -7.623
223 HA LEU 34 HA LEU 34 -0.864 0.175 -5.205
224 HB2 LEU 34 HB2 LEU 34 -2.582 1.686 -7.146
225 HB3 LEU 34 HB3 LEU 34 -2.954 1.205 -5.492
226 HG LEU 34 HG LEU 34 -1.044 3.379 -6.343
227 HD11 LEU 34 HD11 LEU 34 -2.624 4.910 -5.489
228 HD12 LEU 34 HD12 LEU 34 -3.593 3.624 -4.770
229 HD13 LEU 34 HD13 LEU 34 -3.527 3.803 -6.524
230 HD21 LEU 34 HD21 LEU 34 -1.654 3.466 -3.580
231 HD22 LEU 34 HD22 LEU 34 -0.088 3.215 -4.350
232 HD23 LEU 34 HD23 LEU 34 -1.111 1.832 -3.959
233 H CYS 35 H CYS 35 -1.381 -1.884 -5.471
234 HA CYS 35 HA CYS 35 -1.587 -3.042 -8.097
235 HB2 CYS 35 HB2 CYS 35 -2.139 -4.393 -5.452
236 HB3 CYS 35 HB3 CYS 35 -1.701 -5.157 -6.977
237 H ARG 36 H ARG 36 -3.389 -4.195 -8.920
238 HA ARG 36 HA ARG 36 -5.922 -2.962 -8.229
239 HB2 ARG 36 HB2 ARG 36 -6.775 -4.044 -10.239
240 HB3 ARG 36 HB3 ARG 36 -5.273 -3.197 -10.588
241 HG2 ARG 36 HG2 ARG 36 -4.052 -5.294 -10.533
242 HG3 ARG 36 HG3 ARG 36 -5.531 -6.160 -10.115
243 HD2 ARG 36 HD2 ARG 36 -6.527 -5.566 -12.232
244 HD3 ARG 36 HD3 ARG 36 -5.135 -4.564 -12.641
245 HE ARG 36 HE ARG 36 -4.065 -7.026 -12.229
246 HH11 ARG 36 HH11 ARG 36 -6.628 -5.796 -14.238
247 HH12 ARG 36 HH12 ARG 36 -6.398 -6.982 -15.481
248 HH21 ARG 36 HH21 ARG 36 -3.752 -8.591 -13.858
249 HH22 ARG 36 HH22 ARG 36 -4.763 -8.571 -15.264
Start of MODEL 7
1 H MET 1 H MET 1 1.296 0.974 0.482
2 HA MET 1 HA MET 1 1.311 -0.319 -1.942
3 HB2 MET 1 HB2 MET 1 3.093 1.221 -2.617
4 HB3 MET 1 HB3 MET 1 1.852 2.052 -1.687
5 HG2 MET 1 HG2 MET 1 3.250 2.535 0.006
6 HG3 MET 1 HG3 MET 1 4.121 1.009 -0.135
7 HE1 MET 1 HE1 MET 1 7.123 2.314 -0.420
8 HE2 MET 1 HE2 MET 1 6.492 3.928 -0.099
9 HE3 MET 1 HE3 MET 1 5.795 2.531 0.720
10 H CYS 2 H CYS 2 2.774 -1.582 -3.088
11 HA CYS 2 HA CYS 2 4.405 -3.323 -1.458
12 HB2 CYS 2 HB2 CYS 2 2.940 -4.125 -3.348
13 HB3 CYS 2 HB3 CYS 2 4.074 -3.367 -4.461
14 H MET 3 H MET 3 4.877 -0.838 -3.902
15 HA MET 3 HA MET 3 7.580 -0.422 -3.036
16 HB2 MET 3 HB2 MET 3 8.748 -1.017 -4.984
17 HB3 MET 3 HB3 MET 3 7.661 -2.370 -4.699
18 HG2 MET 3 HG2 MET 3 6.126 -1.508 -6.378
19 HG3 MET 3 HG3 MET 3 7.187 -0.127 -6.649
20 HE1 MET 3 HE1 MET 3 9.683 -0.590 -6.747
21 HE2 MET 3 HE2 MET 3 10.323 -2.231 -6.834
22 HE3 MET 3 HE3 MET 3 10.179 -1.262 -8.300
23 HA PRO 4 HA PRO 4 6.709 3.658 -4.398
24 HB2 PRO 4 HB2 PRO 4 9.199 4.568 -4.982
25 HB3 PRO 4 HB3 PRO 4 8.638 4.301 -3.327
26 HG2 PRO 4 HG2 PRO 4 10.338 2.547 -5.056
27 HG3 PRO 4 HG3 PRO 4 10.526 2.944 -3.338
28 HD2 PRO 4 HD2 PRO 4 9.441 0.611 -4.184
29 HD3 PRO 4 HD3 PRO 4 8.937 1.409 -2.680
30 H CYS 5 H CYS 5 5.875 4.382 -6.245
31 HA CYS 5 HA CYS 5 6.994 3.404 -8.779
32 HB2 CYS 5 HB2 CYS 5 4.429 3.296 -7.935
33 HB3 CYS 5 HB3 CYS 5 4.407 4.844 -8.773
34 H PHE 6 H PHE 6 6.731 4.983 -10.646
35 HA PHE 6 HA PHE 6 7.053 7.776 -9.874
36 HB2 PHE 6 HB2 PHE 6 9.163 6.142 -11.277
37 HB3 PHE 6 HB3 PHE 6 9.109 7.898 -11.388
38 HD1 PHE 6 HD1 PHE 6 9.918 9.258 -9.645
39 HD2 PHE 6 HD2 PHE 6 9.491 5.066 -9.051
40 HE1 PHE 6 HE1 PHE 6 11.177 9.432 -7.539
41 HE2 PHE 6 HE2 PHE 6 10.748 5.233 -6.943
42 HZ PHE 6 HZ PHE 6 11.592 7.418 -6.183
43 H THR 7 H THR 7 5.770 8.920 -11.145
44 HA THR 7 HA THR 7 4.549 7.884 -13.473
45 HB THR 7 HB THR 7 3.515 10.024 -13.746
46 HG1 THR 7 HG1 THR 7 5.644 10.947 -12.109
47 HG21 THR 7 HG21 THR 7 3.164 8.558 -11.557
48 HG22 THR 7 HG22 THR 7 2.333 10.096 -11.790
49 HG23 THR 7 HG23 THR 7 3.780 10.018 -10.784
50 H THR 8 H THR 8 7.333 9.968 -12.953
51 HA THR 8 HA THR 8 7.662 10.685 -15.696
52 HB THR 8 HB THR 8 8.582 12.037 -13.822
53 HG1 THR 8 HG1 THR 8 10.352 12.624 -14.996
54 HG21 THR 8 HG21 THR 8 10.075 11.257 -12.333
55 HG22 THR 8 HG22 THR 8 11.000 10.405 -13.569
56 HG23 THR 8 HG23 THR 8 9.559 9.662 -12.876
57 H ASP 9 H ASP 9 8.542 7.957 -13.781
58 HA ASP 9 HA ASP 9 10.577 7.052 -15.648
59 HB2 ASP 9 HB2 ASP 9 9.430 5.684 -13.205
60 HB3 ASP 9 HB3 ASP 9 10.835 5.148 -14.124
61 H HIS 10 H HIS 10 10.288 5.599 -17.229
62 HA HIS 10 HA HIS 10 7.574 4.625 -17.691
63 HB2 HIS 10 HB2 HIS 10 9.030 5.804 -19.462
64 HB3 HIS 10 HB3 HIS 10 9.901 4.277 -19.569
65 HD1 HIS 10 HD1 HIS 10 9.024 2.714 -21.266
66 HD2 HIS 10 HD2 HIS 10 6.106 5.366 -19.958
67 HE1 HIS 10 HE1 HIS 10 6.988 2.211 -22.653
68 H GLN 11 H GLN 11 10.837 3.448 -17.127
69 HA GLN 11 HA GLN 11 10.102 0.685 -17.505
70 HB2 GLN 11 HB2 GLN 11 12.415 0.231 -16.703
71 HB3 GLN 11 HB3 GLN 11 12.351 1.332 -18.073
72 HG2 GLN 11 HG2 GLN 11 12.873 3.190 -16.752
73 HG3 GLN 11 HG3 GLN 11 12.509 2.334 -15.254
74 HE21 GLN 11 HE21 GLN 11 14.754 2.505 -17.954
75 HE22 GLN 11 HE22 GLN 11 16.111 1.849 -17.108
76 H MET 12 H MET 12 9.895 2.941 -14.984
77 HA MET 12 HA MET 12 10.297 1.288 -12.737
78 HB2 MET 12 HB2 MET 12 10.243 3.724 -12.566
79 HB3 MET 12 HB3 MET 12 8.552 3.738 -13.049
80 HG2 MET 12 HG2 MET 12 8.527 4.009 -10.731
81 HG3 MET 12 HG3 MET 12 8.104 2.320 -10.999
82 HE1 MET 12 HE1 MET 12 8.460 1.142 -9.305
83 HE2 MET 12 HE2 MET 12 9.922 0.215 -9.648
84 HE3 MET 12 HE3 MET 12 9.789 1.128 -8.144
85 H ALA 13 H ALA 13 7.402 2.056 -14.628
86 HA ALA 13 HA ALA 13 5.457 0.854 -13.085
87 HB1 ALA 13 HB1 ALA 13 4.142 0.647 -15.099
88 HB2 ALA 13 HB2 ALA 13 5.029 2.172 -15.128
89 HB3 ALA 13 HB3 ALA 13 5.589 0.810 -16.096
90 H ARG 14 H ARG 14 7.792 -0.634 -15.250
91 HA ARG 14 HA ARG 14 6.736 -3.167 -15.537
92 HB2 ARG 14 HB2 ARG 14 8.863 -2.216 -16.561
93 HB3 ARG 14 HB3 ARG 14 9.667 -2.643 -15.056
94 HG2 ARG 14 HG2 ARG 14 10.133 -4.475 -16.342
95 HG3 ARG 14 HG3 ARG 14 8.659 -5.005 -15.529
96 HD2 ARG 14 HD2 ARG 14 8.277 -5.570 -17.753
97 HD3 ARG 14 HD3 ARG 14 7.438 -4.029 -17.575
98 HE ARG 14 HE ARG 14 10.041 -3.513 -18.451
99 HH11 ARG 14 HH11 ARG 14 7.109 -5.003 -19.594
100 HH12 ARG 14 HH12 ARG 14 7.422 -4.647 -21.260
101 HH21 ARG 14 HH21 ARG 14 10.465 -3.037 -20.642
102 HH22 ARG 14 HH22 ARG 14 9.332 -3.530 -21.856
103 H LYS 15 H LYS 15 8.885 -2.013 -12.941
104 HA LYS 15 HA LYS 15 8.824 -4.436 -11.473
105 HB2 LYS 15 HB2 LYS 15 9.478 -1.620 -10.589
106 HB3 LYS 15 HB3 LYS 15 9.759 -3.060 -9.620
107 HG2 LYS 15 HG2 LYS 15 11.467 -3.811 -10.995
108 HG3 LYS 15 HG3 LYS 15 10.940 -2.817 -12.356
109 HD2 LYS 15 HD2 LYS 15 11.843 -1.507 -9.826
110 HD3 LYS 15 HD3 LYS 15 13.040 -2.128 -10.965
111 HE2 LYS 15 HE2 LYS 15 11.336 -0.770 -12.612
112 HE3 LYS 15 HE3 LYS 15 11.291 0.216 -11.151
113 HZ1 LYS 15 HZ1 LYS 15 13.386 -0.085 -13.076
114 HZ2 LYS 15 HZ2 LYS 15 13.935 -0.331 -11.496
115 HZ3 LYS 15 HZ3 LYS 15 13.163 1.117 -11.906
116 H CYS 16 H CYS 16 6.964 -1.435 -11.268
117 HA CYS 16 HA CYS 16 5.582 -1.830 -8.922
118 HB2 CYS 16 HB2 CYS 16 5.249 0.232 -10.004
119 HB3 CYS 16 HB3 CYS 16 4.784 -0.537 -11.517
120 H ASP 17 H ASP 17 5.027 -3.296 -12.065
121 HA ASP 17 HA ASP 17 2.556 -4.544 -11.301
122 HB2 ASP 17 HB2 ASP 17 4.320 -5.309 -13.628
123 HB3 ASP 17 HB3 ASP 17 2.587 -5.567 -13.458
124 H ASP 18 H ASP 18 5.938 -5.504 -11.493
125 HA ASP 18 HA ASP 18 5.568 -8.263 -11.058
126 HB2 ASP 18 HB2 ASP 18 7.682 -7.018 -11.836
127 HB3 ASP 18 HB3 ASP 18 7.984 -6.728 -10.125
128 H CYS 19 H CYS 19 6.312 -5.620 -8.797
129 HA CYS 19 HA CYS 19 6.485 -7.088 -6.456
130 HB2 CYS 19 HB2 CYS 19 6.796 -4.519 -6.954
131 HB3 CYS 19 HB3 CYS 19 5.121 -4.424 -6.418
132 H CYS 20 H CYS 20 3.642 -5.970 -8.190
133 HA CYS 20 HA CYS 20 1.773 -6.638 -6.143
134 HB2 CYS 20 HB2 CYS 20 1.416 -6.158 -9.106
135 HB3 CYS 20 HB3 CYS 20 0.084 -6.394 -7.979
136 H GLY 21 H GLY 21 3.321 -8.388 -8.715
137 HA2 GLY 21 HA2 GLY 21 2.875 -10.911 -7.763
138 HA3 GLY 21 HA3 GLY 21 1.458 -10.573 -8.746
139 H GLY 22 H GLY 22 1.941 -9.782 -11.006
140 HA2 GLY 22 HA2 GLY 22 4.490 -10.709 -12.079
141 HA3 GLY 22 HA3 GLY 22 3.057 -11.575 -12.614
142 H LYS 23 H LYS 23 4.502 -10.459 -14.539
143 HA LYS 23 HA LYS 23 4.137 -7.810 -15.220
144 HB2 LYS 23 HB2 LYS 23 5.497 -9.599 -16.431
145 HB3 LYS 23 HB3 LYS 23 3.998 -10.054 -17.229
146 HG2 LYS 23 HG2 LYS 23 3.818 -7.686 -18.033
147 HG3 LYS 23 HG3 LYS 23 5.447 -7.425 -17.406
148 HD2 LYS 23 HD2 LYS 23 5.905 -7.961 -19.595
149 HD3 LYS 23 HD3 LYS 23 6.005 -9.552 -18.835
150 HE2 LYS 23 HE2 LYS 23 3.583 -9.870 -19.451
151 HE3 LYS 23 HE3 LYS 23 3.712 -8.397 -20.411
152 HZ1 LYS 23 HZ1 LYS 23 4.136 -10.759 -21.448
153 HZ2 LYS 23 HZ2 LYS 23 5.699 -10.495 -20.858
154 HZ3 LYS 23 HZ3 LYS 23 5.014 -9.404 -21.956
155 H GLY 24 H GLY 24 2.365 -6.628 -15.472
156 HA2 GLY 24 HA2 GLY 24 0.360 -6.148 -16.700
157 HA3 GLY 24 HA3 GLY 24 0.013 -7.871 -16.731
158 H ARG 25 H ARG 25 0.856 -7.912 -13.787
159 HA ARG 25 HA ARG 25 -1.804 -7.281 -12.770
160 HB2 ARG 25 HB2 ARG 25 0.410 -8.597 -11.214
161 HB3 ARG 25 HB3 ARG 25 -1.326 -8.711 -10.956
162 HG2 ARG 25 HG2 ARG 25 -1.195 -9.749 -13.414
163 HG3 ARG 25 HG3 ARG 25 0.416 -10.177 -12.835
164 HD2 ARG 25 HD2 ARG 25 -0.869 -11.001 -10.723
165 HD3 ARG 25 HD3 ARG 25 -2.260 -11.022 -11.806
166 HE ARG 25 HE ARG 25 -0.069 -12.376 -12.978
167 HH11 ARG 25 HH11 ARG 25 -2.503 -12.715 -10.512
168 HH12 ARG 25 HH12 ARG 25 -2.534 -14.445 -10.597
169 HH21 ARG 25 HH21 ARG 25 -0.099 -14.653 -13.099
170 HH22 ARG 25 HH22 ARG 25 -1.165 -15.547 -12.068
171 H GLY 26 H GLY 26 -2.186 -5.412 -11.791
172 HA2 GLY 26 HA2 GLY 26 -1.669 -4.002 -9.860
173 HA3 GLY 26 HA3 GLY 26 0.026 -4.141 -10.302
174 H LYS 27 H LYS 27 -0.943 -1.669 -9.877
175 HA LYS 27 HA LYS 27 -0.798 -0.504 -12.548
176 HB2 LYS 27 HB2 LYS 27 -3.037 -0.061 -10.591
177 HB3 LYS 27 HB3 LYS 27 -2.610 1.170 -11.774
178 HG2 LYS 27 HG2 LYS 27 -3.284 -0.130 -13.564
179 HG3 LYS 27 HG3 LYS 27 -3.158 -1.634 -12.648
180 HD2 LYS 27 HD2 LYS 27 -5.137 -1.173 -11.438
181 HD3 LYS 27 HD3 LYS 27 -5.164 0.506 -11.981
182 HE2 LYS 27 HE2 LYS 27 -6.824 -0.690 -13.212
183 HE3 LYS 27 HE3 LYS 27 -5.491 -0.334 -14.310
184 HZ1 LYS 27 HZ1 LYS 27 -4.663 -2.624 -13.827
185 HZ2 LYS 27 HZ2 LYS 27 -6.128 -2.569 -14.671
186 HZ3 LYS 27 HZ3 LYS 27 -6.118 -2.928 -13.018
187 H CYS 28 H CYS 28 -0.165 1.741 -12.544
188 HA CYS 28 HA CYS 28 1.314 2.461 -10.104
189 HB2 CYS 28 HB2 CYS 28 2.664 2.063 -12.165
190 HB3 CYS 28 HB3 CYS 28 1.815 3.400 -12.935
191 H TYR 29 H TYR 29 0.202 3.883 -8.932
192 HA TYR 29 HA TYR 29 -0.957 6.208 -10.314
193 HB2 TYR 29 HB2 TYR 29 -2.175 4.651 -8.026
194 HB3 TYR 29 HB3 TYR 29 -2.773 6.206 -8.595
195 HD1 TYR 29 HD1 TYR 29 -3.367 2.822 -8.743
196 HD2 TYR 29 HD2 TYR 29 -3.072 6.200 -11.314
197 HE1 TYR 29 HE1 TYR 29 -4.761 1.669 -10.409
198 HE2 TYR 29 HE2 TYR 29 -4.467 5.057 -12.986
199 HH TYR 29 HH TYR 29 -6.241 3.196 -12.942
200 H GLY 30 H GLY 30 0.280 7.882 -9.766
201 HA2 GLY 30 HA2 GLY 30 1.115 9.534 -8.372
202 HA3 GLY 30 HA3 GLY 30 0.556 8.604 -6.990
203 HA PRO 31 HA PRO 31 5.169 8.428 -6.988
204 HB2 PRO 31 HB2 PRO 31 5.402 8.769 -4.305
205 HB3 PRO 31 HB3 PRO 31 5.273 10.119 -5.438
206 HG2 PRO 31 HG2 PRO 31 3.153 8.869 -3.734
207 HG3 PRO 31 HG3 PRO 31 3.470 10.585 -4.046
208 HD2 PRO 31 HD2 PRO 31 1.510 9.212 -5.314
209 HD3 PRO 31 HD3 PRO 31 2.397 10.543 -6.085
210 H GLN 32 H GLN 32 2.620 6.741 -5.366
211 HA GLN 32 HA GLN 32 4.462 4.528 -4.743
212 HB2 GLN 32 HB2 GLN 32 1.784 5.190 -3.507
213 HB3 GLN 32 HB3 GLN 32 2.754 3.778 -3.113
214 HG2 GLN 32 HG2 GLN 32 4.575 5.325 -2.395
215 HG3 GLN 32 HG3 GLN 32 3.447 6.661 -2.619
216 HE21 GLN 32 HE21 GLN 32 1.127 5.572 -1.653
217 HE22 GLN 32 HE22 GLN 32 1.289 5.267 0.039
218 H CYS 33 H CYS 33 3.865 2.415 -5.288
219 HA CYS 33 HA CYS 33 2.148 2.244 -7.618
220 HB2 CYS 33 HB2 CYS 33 4.237 1.089 -7.784
221 HB3 CYS 33 HB3 CYS 33 3.969 0.259 -6.255
222 H LEU 34 H LEU 34 0.117 1.536 -7.622
223 HA LEU 34 HA LEU 34 -0.888 0.188 -5.204
224 HB2 LEU 34 HB2 LEU 34 -2.578 1.703 -7.167
225 HB3 LEU 34 HB3 LEU 34 -2.990 1.198 -5.530
226 HG LEU 34 HG LEU 34 -1.027 3.366 -6.275
227 HD11 LEU 34 HD11 LEU 34 -3.468 3.848 -6.636
228 HD12 LEU 34 HD12 LEU 34 -2.644 4.917 -5.503
229 HD13 LEU 34 HD13 LEU 34 -3.689 3.632 -4.899
230 HD21 LEU 34 HD21 LEU 34 -0.776 3.784 -3.953
231 HD22 LEU 34 HD22 LEU 34 -0.505 2.057 -4.192
232 HD23 LEU 34 HD23 LEU 34 -2.041 2.627 -3.539
233 H CYS 35 H CYS 35 -1.383 -1.877 -5.465
234 HA CYS 35 HA CYS 35 -1.569 -3.050 -8.084
235 HB2 CYS 35 HB2 CYS 35 -2.134 -4.372 -5.426
236 HB3 CYS 35 HB3 CYS 35 -1.713 -5.161 -6.943
237 H ARG 36 H ARG 36 -3.362 -4.209 -8.920
238 HA ARG 36 HA ARG 36 -5.847 -2.892 -8.585
239 HB2 ARG 36 HB2 ARG 36 -6.709 -4.465 -10.203
240 HB3 ARG 36 HB3 ARG 36 -5.104 -3.948 -10.704
241 HG2 ARG 36 HG2 ARG 36 -4.139 -6.011 -9.993
242 HG3 ARG 36 HG3 ARG 36 -5.650 -6.514 -9.234
243 HD2 ARG 36 HD2 ARG 36 -6.637 -6.226 -11.621
244 HD3 ARG 36 HD3 ARG 36 -4.955 -6.332 -12.138
245 HE ARG 36 HE ARG 36 -5.766 -8.454 -10.376
246 HH11 ARG 36 HH11 ARG 36 -5.612 -7.369 -13.679
247 HH12 ARG 36 HH12 ARG 36 -5.655 -8.968 -14.344
248 HH21 ARG 36 HH21 ARG 36 -5.824 -10.565 -11.238
249 HH22 ARG 36 HH22 ARG 36 -5.777 -10.785 -12.955
Start of MODEL 8
1 H MET 1 H MET 1 1.075 0.928 0.522
2 HA MET 1 HA MET 1 1.398 -0.135 -1.906
3 HB2 MET 1 HB2 MET 1 3.311 1.378 -2.284
4 HB3 MET 1 HB3 MET 1 1.994 2.171 -1.429
5 HG2 MET 1 HG2 MET 1 3.701 2.904 -0.152
6 HG3 MET 1 HG3 MET 1 3.407 1.377 0.675
7 HE1 MET 1 HE1 MET 1 6.895 2.427 -2.097
8 HE2 MET 1 HE2 MET 1 5.242 3.024 -2.239
9 HE3 MET 1 HE3 MET 1 6.250 3.533 -0.885
10 H CYS 2 H CYS 2 2.757 -1.468 -3.025
11 HA CYS 2 HA CYS 2 4.335 -3.307 -1.446
12 HB2 CYS 2 HB2 CYS 2 2.810 -3.997 -3.346
13 HB3 CYS 2 HB3 CYS 2 3.990 -3.291 -4.446
14 H MET 3 H MET 3 4.863 -0.768 -3.815
15 HA MET 3 HA MET 3 7.582 -0.456 -2.983
16 HB2 MET 3 HB2 MET 3 8.725 -1.073 -4.944
17 HB3 MET 3 HB3 MET 3 7.613 -2.401 -4.643
18 HG2 MET 3 HG2 MET 3 6.087 -1.535 -6.315
19 HG3 MET 3 HG3 MET 3 7.149 -0.156 -6.591
20 HE1 MET 3 HE1 MET 3 10.214 -2.132 -6.624
21 HE2 MET 3 HE2 MET 3 10.197 -1.499 -8.271
22 HE3 MET 3 HE3 MET 3 9.622 -0.500 -6.936
23 HA PRO 4 HA PRO 4 6.830 3.651 -4.337
24 HB2 PRO 4 HB2 PRO 4 9.344 4.488 -4.924
25 HB3 PRO 4 HB3 PRO 4 8.778 4.235 -3.269
26 HG2 PRO 4 HG2 PRO 4 10.423 2.433 -5.003
27 HG3 PRO 4 HG3 PRO 4 10.625 2.822 -3.286
28 HD2 PRO 4 HD2 PRO 4 9.472 0.524 -4.133
29 HD3 PRO 4 HD3 PRO 4 8.993 1.334 -2.628
30 H CYS 5 H CYS 5 6.012 4.397 -6.182
31 HA CYS 5 HA CYS 5 7.118 3.409 -8.719
32 HB2 CYS 5 HB2 CYS 5 4.552 3.308 -7.878
33 HB3 CYS 5 HB3 CYS 5 4.537 4.860 -8.710
34 H PHE 6 H PHE 6 6.835 5.006 -10.581
35 HA PHE 6 HA PHE 6 7.191 7.790 -9.790
36 HB2 PHE 6 HB2 PHE 6 9.264 6.169 -11.269
37 HB3 PHE 6 HB3 PHE 6 9.232 7.929 -11.293
38 HD1 PHE 6 HD1 PHE 6 10.051 9.196 -9.477
39 HD2 PHE 6 HD2 PHE 6 9.636 4.975 -9.124
40 HE1 PHE 6 HE1 PHE 6 11.339 9.248 -7.381
41 HE2 PHE 6 HE2 PHE 6 10.922 5.020 -7.027
42 HZ PHE 6 HZ PHE 6 11.777 7.158 -6.153
43 H THR 7 H THR 7 5.756 8.843 -10.981
44 HA THR 7 HA THR 7 4.558 7.867 -13.320
45 HB THR 7 HB THR 7 3.534 10.030 -13.569
46 HG1 THR 7 HG1 THR 7 4.344 11.704 -11.976
47 HG21 THR 7 HG21 THR 7 3.612 10.130 -10.654
48 HG22 THR 7 HG22 THR 7 3.356 8.502 -11.285
49 HG23 THR 7 HG23 THR 7 2.259 9.806 -11.738
50 H THR 8 H THR 8 7.339 9.957 -12.822
51 HA THR 8 HA THR 8 7.621 10.718 -15.557
52 HB THR 8 HB THR 8 8.584 12.055 -13.719
53 HG1 THR 8 HG1 THR 8 10.731 11.122 -15.312
54 HG21 THR 8 HG21 THR 8 10.018 11.250 -12.192
55 HG22 THR 8 HG22 THR 8 10.967 10.392 -13.407
56 HG23 THR 8 HG23 THR 8 9.505 9.657 -12.749
57 H ASP 9 H ASP 9 8.528 7.950 -13.714
58 HA ASP 9 HA ASP 9 10.518 7.075 -15.645
59 HB2 ASP 9 HB2 ASP 9 9.430 5.668 -13.197
60 HB3 ASP 9 HB3 ASP 9 10.809 5.145 -14.161
61 H HIS 10 H HIS 10 10.189 5.640 -17.237
62 HA HIS 10 HA HIS 10 7.461 4.684 -17.652
63 HB2 HIS 10 HB2 HIS 10 9.840 4.584 -19.517
64 HB3 HIS 10 HB3 HIS 10 8.175 4.197 -19.936
65 HD1 HIS 10 HD1 HIS 10 6.583 6.149 -20.385
66 HD2 HIS 10 HD2 HIS 10 10.394 7.341 -19.234
67 HE1 HIS 10 HE1 HIS 10 6.682 8.620 -20.841
68 H GLN 11 H GLN 11 10.729 3.487 -17.173
69 HA GLN 11 HA GLN 11 9.976 0.732 -17.576
70 HB2 GLN 11 HB2 GLN 11 12.305 0.262 -16.813
71 HB3 GLN 11 HB3 GLN 11 12.213 1.364 -18.182
72 HG2 GLN 11 HG2 GLN 11 12.886 3.179 -16.944
73 HG3 GLN 11 HG3 GLN 11 12.352 2.472 -15.420
74 HE21 GLN 11 HE21 GLN 11 14.956 3.013 -17.491
75 HE22 GLN 11 HE22 GLN 11 16.131 2.043 -16.675
76 H MET 12 H MET 12 9.828 2.952 -15.018
77 HA MET 12 HA MET 12 10.275 1.279 -12.801
78 HB2 MET 12 HB2 MET 12 10.204 3.707 -12.595
79 HB3 MET 12 HB3 MET 12 8.508 3.719 -13.059
80 HG2 MET 12 HG2 MET 12 8.563 3.975 -10.722
81 HG3 MET 12 HG3 MET 12 8.049 2.318 -11.028
82 HE1 MET 12 HE1 MET 12 10.266 0.076 -9.564
83 HE2 MET 12 HE2 MET 12 9.242 0.965 -8.436
84 HE3 MET 12 HE3 MET 12 8.661 0.608 -10.064
85 H ALA 13 H ALA 13 7.354 2.012 -14.658
86 HA ALA 13 HA ALA 13 5.435 0.799 -13.093
87 HB1 ALA 13 HB1 ALA 13 5.707 1.248 -16.025
88 HB2 ALA 13 HB2 ALA 13 4.384 0.244 -15.432
89 HB3 ALA 13 HB3 ALA 13 4.537 1.913 -14.884
90 H ARG 14 H ARG 14 7.768 -0.676 -15.266
91 HA ARG 14 HA ARG 14 6.739 -3.222 -15.532
92 HB2 ARG 14 HB2 ARG 14 8.878 -2.206 -16.535
93 HB3 ARG 14 HB3 ARG 14 9.669 -2.730 -15.055
94 HG2 ARG 14 HG2 ARG 14 8.083 -4.678 -16.667
95 HG3 ARG 14 HG3 ARG 14 9.724 -4.246 -17.153
96 HD2 ARG 14 HD2 ARG 14 10.272 -4.750 -14.642
97 HD3 ARG 14 HD3 ARG 14 8.778 -5.685 -14.717
98 HE ARG 14 HE ARG 14 9.846 -7.238 -16.029
99 HH11 ARG 14 HH11 ARG 14 11.798 -4.364 -15.800
100 HH12 ARG 14 HH12 ARG 14 13.184 -5.088 -16.547
101 HH21 ARG 14 HH21 ARG 14 11.664 -8.203 -17.013
102 HH22 ARG 14 HH22 ARG 14 13.106 -7.271 -17.237
103 H LYS 15 H LYS 15 8.832 -1.990 -12.932
104 HA LYS 15 HA LYS 15 8.822 -4.421 -11.456
105 HB2 LYS 15 HB2 LYS 15 9.492 -1.588 -10.645
106 HB3 LYS 15 HB3 LYS 15 9.726 -2.986 -9.605
107 HG2 LYS 15 HG2 LYS 15 11.472 -3.800 -10.860
108 HG3 LYS 15 HG3 LYS 15 10.953 -2.959 -12.322
109 HD2 LYS 15 HD2 LYS 15 11.824 -1.389 -9.931
110 HD3 LYS 15 HD3 LYS 15 13.033 -2.108 -10.997
111 HE2 LYS 15 HE2 LYS 15 11.295 -0.930 -12.764
112 HE3 LYS 15 HE3 LYS 15 11.293 0.202 -11.412
113 HZ1 LYS 15 HZ1 LYS 15 13.883 -0.203 -11.627
114 HZ2 LYS 15 HZ2 LYS 15 13.081 0.979 -12.534
115 HZ3 LYS 15 HZ3 LYS 15 13.456 -0.513 -13.235
116 H CYS 16 H CYS 16 6.951 -1.425 -11.257
117 HA CYS 16 HA CYS 16 5.583 -1.818 -8.901
118 HB2 CYS 16 HB2 CYS 16 5.267 0.242 -10.019
119 HB3 CYS 16 HB3 CYS 16 4.732 -0.550 -11.498
120 H ASP 17 H ASP 17 4.975 -3.254 -12.056
121 HA ASP 17 HA ASP 17 2.526 -4.519 -11.268
122 HB2 ASP 17 HB2 ASP 17 4.272 -5.274 -13.613
123 HB3 ASP 17 HB3 ASP 17 2.539 -5.538 -13.428
124 H ASP 18 H ASP 18 5.909 -5.461 -11.465
125 HA ASP 18 HA ASP 18 5.561 -8.226 -11.060
126 HB2 ASP 18 HB2 ASP 18 7.682 -6.781 -11.714
127 HB3 ASP 18 HB3 ASP 18 7.974 -6.837 -9.978
128 H CYS 19 H CYS 19 6.273 -5.607 -8.757
129 HA CYS 19 HA CYS 19 6.421 -7.106 -6.435
130 HB2 CYS 19 HB2 CYS 19 6.762 -4.544 -6.873
131 HB3 CYS 19 HB3 CYS 19 5.068 -4.432 -6.408
132 H CYS 20 H CYS 20 3.597 -5.968 -8.184
133 HA CYS 20 HA CYS 20 1.705 -6.651 -6.166
134 HB2 CYS 20 HB2 CYS 20 1.374 -6.181 -9.135
135 HB3 CYS 20 HB3 CYS 20 0.035 -6.397 -8.011
136 H GLY 21 H GLY 21 3.288 -8.393 -8.722
137 HA2 GLY 21 HA2 GLY 21 2.835 -10.919 -7.779
138 HA3 GLY 21 HA3 GLY 21 1.431 -10.582 -8.781
139 H GLY 22 H GLY 22 1.944 -9.787 -11.033
140 HA2 GLY 22 HA2 GLY 22 4.510 -10.709 -12.071
141 HA3 GLY 22 HA3 GLY 22 3.086 -11.575 -12.628
142 H LYS 23 H LYS 23 4.557 -10.453 -14.531
143 HA LYS 23 HA LYS 23 4.199 -7.803 -15.211
144 HB2 LYS 23 HB2 LYS 23 5.587 -9.570 -16.407
145 HB3 LYS 23 HB3 LYS 23 4.102 -10.055 -17.216
146 HG2 LYS 23 HG2 LYS 23 4.959 -8.622 -18.765
147 HG3 LYS 23 HG3 LYS 23 3.979 -7.500 -17.819
148 HD2 LYS 23 HD2 LYS 23 5.954 -6.338 -17.920
149 HD3 LYS 23 HD3 LYS 23 6.200 -7.251 -16.428
150 HE2 LYS 23 HE2 LYS 23 7.070 -8.418 -19.036
151 HE3 LYS 23 HE3 LYS 23 8.062 -7.181 -18.266
152 HZ1 LYS 23 HZ1 LYS 23 7.471 -9.911 -17.374
153 HZ2 LYS 23 HZ2 LYS 23 7.750 -8.726 -16.201
154 HZ3 LYS 23 HZ3 LYS 23 8.936 -9.067 -17.358
155 H GLY 24 H GLY 24 2.430 -6.623 -15.487
156 HA2 GLY 24 HA2 GLY 24 0.441 -6.143 -16.742
157 HA3 GLY 24 HA3 GLY 24 0.098 -7.865 -16.783
158 H ARG 25 H ARG 25 0.897 -7.914 -13.827
159 HA ARG 25 HA ARG 25 -1.778 -7.283 -12.847
160 HB2 ARG 25 HB2 ARG 25 0.404 -8.615 -11.261
161 HB3 ARG 25 HB3 ARG 25 -1.337 -8.729 -11.040
162 HG2 ARG 25 HG2 ARG 25 -1.149 -9.748 -13.506
163 HG3 ARG 25 HG3 ARG 25 0.445 -10.187 -12.886
164 HD2 ARG 25 HD2 ARG 25 -0.410 -11.594 -11.293
165 HD3 ARG 25 HD3 ARG 25 -1.928 -10.705 -11.171
166 HE ARG 25 HE ARG 25 -2.799 -12.118 -12.727
167 HH11 ARG 25 HH11 ARG 25 0.668 -12.141 -13.039
168 HH12 ARG 25 HH12 ARG 25 0.682 -13.375 -14.255
169 HH21 ARG 25 HH21 ARG 25 -2.795 -13.743 -14.327
170 HH22 ARG 25 HH22 ARG 25 -1.289 -14.285 -14.988
171 H GLY 26 H GLY 26 -2.171 -5.428 -11.847
172 HA2 GLY 26 HA2 GLY 26 -1.640 -4.060 -9.872
173 HA3 GLY 26 HA3 GLY 26 0.043 -4.145 -10.369
174 H LYS 27 H LYS 27 -0.618 -1.710 -9.944
175 HA LYS 27 HA LYS 27 -0.667 -0.491 -12.557
176 HB2 LYS 27 HB2 LYS 27 -3.115 -0.814 -11.419
177 HB3 LYS 27 HB3 LYS 27 -2.661 0.758 -10.777
178 HG2 LYS 27 HG2 LYS 27 -2.777 1.775 -12.798
179 HG3 LYS 27 HG3 LYS 27 -2.272 0.330 -13.678
180 HD2 LYS 27 HD2 LYS 27 -4.915 0.302 -12.309
181 HD3 LYS 27 HD3 LYS 27 -4.754 1.226 -13.805
182 HE2 LYS 27 HE2 LYS 27 -5.341 -0.795 -14.679
183 HE3 LYS 27 HE3 LYS 27 -3.591 -1.006 -14.625
184 HZ1 LYS 27 HZ1 LYS 27 -5.301 -2.751 -13.596
185 HZ2 LYS 27 HZ2 LYS 27 -5.052 -1.780 -12.233
186 HZ3 LYS 27 HZ3 LYS 27 -3.737 -2.529 -12.990
187 H CYS 28 H CYS 28 0.040 1.685 -12.546
188 HA CYS 28 HA CYS 28 1.424 2.432 -10.065
189 HB2 CYS 28 HB2 CYS 28 2.802 2.087 -12.117
190 HB3 CYS 28 HB3 CYS 28 1.941 3.421 -12.875
191 H TYR 29 H TYR 29 0.266 3.814 -8.887
192 HA TYR 29 HA TYR 29 -0.993 6.091 -10.268
193 HB2 TYR 29 HB2 TYR 29 -2.023 4.477 -7.935
194 HB3 TYR 29 HB3 TYR 29 -2.654 6.070 -8.338
195 HD1 TYR 29 HD1 TYR 29 -3.240 2.686 -8.709
196 HD2 TYR 29 HD2 TYR 29 -3.238 6.284 -10.980
197 HE1 TYR 29 HE1 TYR 29 -4.783 1.660 -10.326
198 HE2 TYR 29 HE2 TYR 29 -4.781 5.268 -12.603
199 HH TYR 29 HH TYR 29 -5.857 3.422 -13.216
200 H GLY 30 H GLY 30 0.273 7.792 -9.863
201 HA2 GLY 30 HA2 GLY 30 1.196 9.502 -8.615
202 HA3 GLY 30 HA3 GLY 30 0.608 8.704 -7.164
203 HA PRO 31 HA PRO 31 5.194 8.398 -7.043
204 HB2 PRO 31 HB2 PRO 31 5.361 8.783 -4.361
205 HB3 PRO 31 HB3 PRO 31 5.282 10.115 -5.519
206 HG2 PRO 31 HG2 PRO 31 3.101 8.922 -3.851
207 HG3 PRO 31 HG3 PRO 31 3.449 10.629 -4.183
208 HD2 PRO 31 HD2 PRO 31 1.505 9.261 -5.479
209 HD3 PRO 31 HD3 PRO 31 2.429 10.566 -6.249
210 H GLN 32 H GLN 32 2.586 6.790 -5.417
211 HA GLN 32 HA GLN 32 4.379 4.575 -4.680
212 HB2 GLN 32 HB2 GLN 32 1.580 5.092 -3.669
213 HB3 GLN 32 HB3 GLN 32 2.712 3.887 -3.072
214 HG2 GLN 32 HG2 GLN 32 3.291 6.830 -2.971
215 HG3 GLN 32 HG3 GLN 32 2.431 5.983 -1.685
216 HE21 GLN 32 HE21 GLN 32 5.408 5.820 -3.596
217 HE22 GLN 32 HE22 GLN 32 6.407 5.238 -2.312
218 H CYS 33 H CYS 33 3.699 2.414 -5.103
219 HA CYS 33 HA CYS 33 2.128 2.211 -7.556
220 HB2 CYS 33 HB2 CYS 33 4.255 1.123 -7.673
221 HB3 CYS 33 HB3 CYS 33 3.983 0.290 -6.146
222 H LEU 34 H LEU 34 0.058 1.678 -7.472
223 HA LEU 34 HA LEU 34 -0.926 0.187 -5.133
224 HB2 LEU 34 HB2 LEU 34 -2.684 1.673 -7.045
225 HB3 LEU 34 HB3 LEU 34 -2.993 1.232 -5.367
226 HG LEU 34 HG LEU 34 -1.132 3.402 -6.336
227 HD11 LEU 34 HD11 LEU 34 -3.652 3.761 -6.438
228 HD12 LEU 34 HD12 LEU 34 -2.706 4.946 -5.539
229 HD13 LEU 34 HD13 LEU 34 -3.615 3.706 -4.676
230 HD21 LEU 34 HD21 LEU 34 -1.095 1.919 -3.922
231 HD22 LEU 34 HD22 LEU 34 -1.692 3.538 -3.552
232 HD23 LEU 34 HD23 LEU 34 -0.136 3.334 -4.357
233 H CYS 35 H CYS 35 -1.424 -1.869 -5.444
234 HA CYS 35 HA CYS 35 -1.583 -2.982 -8.091
235 HB2 CYS 35 HB2 CYS 35 -2.157 -4.358 -5.462
236 HB3 CYS 35 HB3 CYS 35 -1.746 -5.120 -6.995
237 H ARG 36 H ARG 36 -3.365 -4.126 -8.969
238 HA ARG 36 HA ARG 36 -5.807 -2.827 -8.873
239 HB2 ARG 36 HB2 ARG 36 -6.721 -4.898 -9.975
240 HB3 ARG 36 HB3 ARG 36 -5.300 -4.209 -10.749
241 HG2 ARG 36 HG2 ARG 36 -4.212 -6.123 -10.549
242 HG3 ARG 36 HG3 ARG 36 -4.479 -6.136 -8.805
243 HD2 ARG 36 HD2 ARG 36 -5.379 -8.141 -9.925
244 HD3 ARG 36 HD3 ARG 36 -6.623 -7.203 -9.099
245 HE ARG 36 HE ARG 36 -7.606 -6.776 -11.126
246 HH11 ARG 36 HH11 ARG 36 -4.402 -8.037 -11.639
247 HH12 ARG 36 HH12 ARG 36 -4.606 -8.218 -13.350
248 HH21 ARG 36 HH21 ARG 36 -7.887 -7.010 -13.377
249 HH22 ARG 36 HH22 ARG 36 -6.589 -7.633 -14.338
Start of MODEL 9
1 H MET 1 H MET 1 1.555 -0.380 0.731
2 HA MET 1 HA MET 1 1.563 -0.147 -2.196
3 HB2 MET 1 HB2 MET 1 3.436 1.466 -2.052
4 HB3 MET 1 HB3 MET 1 1.944 2.096 -1.367
5 HG2 MET 1 HG2 MET 1 2.795 1.475 0.887
6 HG3 MET 1 HG3 MET 1 4.326 1.039 0.132
7 HE1 MET 1 HE1 MET 1 6.188 3.068 -0.703
8 HE2 MET 1 HE2 MET 1 6.203 4.061 0.755
9 HE3 MET 1 HE3 MET 1 5.991 2.314 0.879
10 H CYS 2 H CYS 2 2.768 -1.674 -3.098
11 HA CYS 2 HA CYS 2 4.433 -3.371 -1.478
12 HB2 CYS 2 HB2 CYS 2 2.980 -4.173 -3.380
13 HB3 CYS 2 HB3 CYS 2 4.127 -3.418 -4.483
14 H MET 3 H MET 3 4.911 -0.867 -3.895
15 HA MET 3 HA MET 3 7.609 -0.452 -3.019
16 HB2 MET 3 HB2 MET 3 8.792 -1.043 -4.958
17 HB3 MET 3 HB3 MET 3 7.701 -2.395 -4.689
18 HG2 MET 3 HG2 MET 3 6.181 -1.517 -6.377
19 HG3 MET 3 HG3 MET 3 7.255 -0.144 -6.635
20 HE1 MET 3 HE1 MET 3 10.350 -1.566 -8.231
21 HE2 MET 3 HE2 MET 3 9.745 -0.510 -6.955
22 HE3 MET 3 HE3 MET 3 10.284 -2.144 -6.566
23 HA PRO 4 HA PRO 4 6.735 3.629 -4.377
24 HB2 PRO 4 HB2 PRO 4 9.226 4.547 -4.945
25 HB3 PRO 4 HB3 PRO 4 8.656 4.276 -3.294
26 HG2 PRO 4 HG2 PRO 4 10.372 2.528 -5.017
27 HG3 PRO 4 HG3 PRO 4 10.547 2.923 -3.297
28 HD2 PRO 4 HD2 PRO 4 9.474 0.589 -4.154
29 HD3 PRO 4 HD3 PRO 4 8.959 1.382 -2.652
30 H CYS 5 H CYS 5 5.913 4.358 -6.229
31 HA CYS 5 HA CYS 5 7.042 3.381 -8.758
32 HB2 CYS 5 HB2 CYS 5 4.473 3.284 -7.929
33 HB3 CYS 5 HB3 CYS 5 4.462 4.837 -8.759
34 H PHE 6 H PHE 6 6.707 4.992 -10.628
35 HA PHE 6 HA PHE 6 7.113 7.767 -9.827
36 HB2 PHE 6 HB2 PHE 6 9.136 6.121 -11.344
37 HB3 PHE 6 HB3 PHE 6 9.115 7.881 -11.403
38 HD1 PHE 6 HD1 PHE 6 9.996 9.175 -9.640
39 HD2 PHE 6 HD2 PHE 6 9.543 4.968 -9.179
40 HE1 PHE 6 HE1 PHE 6 11.336 9.261 -7.578
41 HE2 PHE 6 HE2 PHE 6 10.882 5.048 -7.116
42 HZ PHE 6 HZ PHE 6 11.779 7.195 -6.312
43 H THR 7 H THR 7 6.040 9.093 -11.134
44 HA THR 7 HA THR 7 4.629 8.077 -13.401
45 HB THR 7 HB THR 7 3.761 10.348 -13.666
46 HG1 THR 7 HG1 THR 7 5.411 11.111 -11.479
47 HG21 THR 7 HG21 THR 7 2.493 10.424 -11.706
48 HG22 THR 7 HG22 THR 7 3.823 9.833 -10.710
49 HG23 THR 7 HG23 THR 7 2.986 8.735 -11.806
50 H THR 8 H THR 8 7.493 10.058 -12.926
51 HA THR 8 HA THR 8 7.765 10.788 -15.680
52 HB THR 8 HB THR 8 8.741 12.150 -13.860
53 HG1 THR 8 HG1 THR 8 9.655 12.358 -15.918
54 HG21 THR 8 HG21 THR 8 10.989 10.201 -13.608
55 HG22 THR 8 HG22 THR 8 9.527 9.950 -12.654
56 HG23 THR 8 HG23 THR 8 10.448 11.444 -12.482
57 H ASP 9 H ASP 9 8.645 8.052 -13.777
58 HA ASP 9 HA ASP 9 10.609 7.112 -15.712
59 HB2 ASP 9 HB2 ASP 9 10.855 6.836 -13.191
60 HB3 ASP 9 HB3 ASP 9 9.588 5.617 -13.299
61 H HIS 10 H HIS 10 10.219 5.664 -17.269
62 HA HIS 10 HA HIS 10 7.489 4.665 -17.551
63 HB2 HIS 10 HB2 HIS 10 9.816 4.923 -19.441
64 HB3 HIS 10 HB3 HIS 10 8.414 3.938 -19.848
65 HD1 HIS 10 HD1 HIS 10 8.580 7.401 -18.277
66 HD2 HIS 10 HD2 HIS 10 7.013 5.453 -21.595
67 HE1 HIS 10 HE1 HIS 10 7.225 9.134 -19.497
68 H GLN 11 H GLN 11 10.767 3.541 -17.077
69 HA GLN 11 HA GLN 11 10.098 0.765 -17.481
70 HB2 GLN 11 HB2 GLN 11 12.404 0.326 -16.792
71 HB3 GLN 11 HB3 GLN 11 12.341 1.588 -18.014
72 HG2 GLN 11 HG2 GLN 11 13.014 3.218 -16.570
73 HG3 GLN 11 HG3 GLN 11 12.343 2.401 -15.160
74 HE21 GLN 11 HE21 GLN 11 14.421 2.967 -14.209
75 HE22 GLN 11 HE22 GLN 11 15.771 1.919 -14.462
76 H MET 12 H MET 12 9.829 2.987 -14.936
77 HA MET 12 HA MET 12 10.264 1.310 -12.710
78 HB2 MET 12 HB2 MET 12 10.179 3.741 -12.505
79 HB3 MET 12 HB3 MET 12 8.487 3.740 -12.985
80 HG2 MET 12 HG2 MET 12 8.565 4.000 -10.632
81 HG3 MET 12 HG3 MET 12 7.993 2.368 -10.965
82 HE1 MET 12 HE1 MET 12 8.588 0.580 -10.087
83 HE2 MET 12 HE2 MET 12 10.157 0.032 -9.500
84 HE3 MET 12 HE3 MET 12 9.078 0.926 -8.429
85 H ALA 13 H ALA 13 7.368 2.053 -14.603
86 HA ALA 13 HA ALA 13 5.431 0.816 -13.077
87 HB1 ALA 13 HB1 ALA 13 4.254 1.619 -14.780
88 HB2 ALA 13 HB2 ALA 13 5.690 1.709 -15.800
89 HB3 ALA 13 HB3 ALA 13 4.757 0.213 -15.720
90 H ARG 14 H ARG 14 7.794 -0.627 -15.242
91 HA ARG 14 HA ARG 14 6.773 -3.173 -15.547
92 HB2 ARG 14 HB2 ARG 14 8.906 -2.158 -16.536
93 HB3 ARG 14 HB3 ARG 14 9.697 -2.649 -15.044
94 HG2 ARG 14 HG2 ARG 14 9.595 -4.869 -15.554
95 HG3 ARG 14 HG3 ARG 14 8.142 -4.690 -16.539
96 HD2 ARG 14 HD2 ARG 14 9.319 -4.050 -18.402
97 HD3 ARG 14 HD3 ARG 14 10.661 -3.399 -17.462
98 HE ARG 14 HE ARG 14 10.570 -6.174 -17.091
99 HH11 ARG 14 HH11 ARG 14 11.250 -3.841 -19.584
100 HH12 ARG 14 HH12 ARG 14 12.356 -4.872 -20.429
101 HH21 ARG 14 HH21 ARG 14 12.025 -7.541 -18.195
102 HH22 ARG 14 HH22 ARG 14 12.795 -6.976 -19.639
103 H LYS 15 H LYS 15 8.883 -1.995 -12.932
104 HA LYS 15 HA LYS 15 8.826 -4.437 -11.480
105 HB2 LYS 15 HB2 LYS 15 9.529 -1.633 -10.598
106 HB3 LYS 15 HB3 LYS 15 9.792 -3.077 -9.630
107 HG2 LYS 15 HG2 LYS 15 11.509 -3.824 -10.967
108 HG3 LYS 15 HG3 LYS 15 10.952 -2.915 -12.373
109 HD2 LYS 15 HD2 LYS 15 11.876 -1.458 -9.933
110 HD3 LYS 15 HD3 LYS 15 13.063 -2.125 -11.056
111 HE2 LYS 15 HE2 LYS 15 11.329 -0.882 -12.752
112 HE3 LYS 15 HE3 LYS 15 11.267 0.177 -11.344
113 HZ1 LYS 15 HZ1 LYS 15 13.874 -0.139 -11.537
114 HZ2 LYS 15 HZ2 LYS 15 13.049 1.073 -12.380
115 HZ3 LYS 15 HZ3 LYS 15 13.477 -0.362 -13.166
116 H CYS 16 H CYS 16 6.968 -1.442 -11.314
117 HA CYS 16 HA CYS 16 5.615 -1.776 -8.942
118 HB2 CYS 16 HB2 CYS 16 5.276 0.252 -10.098
119 HB3 CYS 16 HB3 CYS 16 4.760 -0.573 -11.566
120 H ASP 17 H ASP 17 4.849 -3.169 -12.105
121 HA ASP 17 HA ASP 17 2.471 -4.475 -11.217
122 HB2 ASP 17 HB2 ASP 17 4.150 -5.173 -13.631
123 HB3 ASP 17 HB3 ASP 17 2.445 -5.533 -13.377
124 H ASP 18 H ASP 18 5.847 -5.408 -11.537
125 HA ASP 18 HA ASP 18 5.534 -8.173 -11.135
126 HB2 ASP 18 HB2 ASP 18 7.615 -6.917 -11.927
127 HB3 ASP 18 HB3 ASP 18 7.926 -6.576 -10.226
128 H CYS 19 H CYS 19 6.302 -5.576 -8.823
129 HA CYS 19 HA CYS 19 6.494 -7.104 -6.521
130 HB2 CYS 19 HB2 CYS 19 6.830 -4.529 -6.955
131 HB3 CYS 19 HB3 CYS 19 5.160 -4.426 -6.407
132 H CYS 20 H CYS 20 3.640 -5.921 -8.191
133 HA CYS 20 HA CYS 20 1.782 -6.583 -6.144
134 HB2 CYS 20 HB2 CYS 20 1.404 -6.156 -9.114
135 HB3 CYS 20 HB3 CYS 20 0.084 -6.347 -7.965
136 H GLY 21 H GLY 21 3.314 -8.371 -8.699
137 HA2 GLY 21 HA2 GLY 21 2.866 -10.881 -7.713
138 HA3 GLY 21 HA3 GLY 21 1.445 -10.552 -8.693
139 H GLY 22 H GLY 22 1.923 -9.784 -10.964
140 HA2 GLY 22 HA2 GLY 22 4.462 -10.740 -12.036
141 HA3 GLY 22 HA3 GLY 22 3.021 -11.601 -12.557
142 H LYS 23 H LYS 23 4.474 -10.510 -14.496
143 HA LYS 23 HA LYS 23 4.118 -7.867 -15.202
144 HB2 LYS 23 HB2 LYS 23 5.497 -9.611 -16.405
145 HB3 LYS 23 HB3 LYS 23 4.007 -10.170 -17.152
146 HG2 LYS 23 HG2 LYS 23 4.761 -8.768 -18.776
147 HG3 LYS 23 HG3 LYS 23 3.792 -7.636 -17.831
148 HD2 LYS 23 HD2 LYS 23 5.742 -6.443 -18.063
149 HD3 LYS 23 HD3 LYS 23 6.046 -7.275 -16.536
150 HE2 LYS 23 HE2 LYS 23 8.010 -7.667 -17.677
151 HE3 LYS 23 HE3 LYS 23 7.081 -9.113 -18.067
152 HZ1 LYS 23 HZ1 LYS 23 8.103 -8.236 -20.041
153 HZ2 LYS 23 HZ2 LYS 23 7.407 -6.716 -19.788
154 HZ3 LYS 23 HZ3 LYS 23 6.426 -8.043 -20.160
155 H GLY 24 H GLY 24 2.351 -6.682 -15.466
156 HA2 GLY 24 HA2 GLY 24 0.346 -6.207 -16.698
157 HA3 GLY 24 HA3 GLY 24 -0.005 -7.929 -16.714
158 H ARG 25 H ARG 25 0.836 -7.947 -13.769
159 HA ARG 25 HA ARG 25 -1.822 -7.299 -12.759
160 HB2 ARG 25 HB2 ARG 25 0.386 -8.608 -11.190
161 HB3 ARG 25 HB3 ARG 25 -1.351 -8.717 -10.935
162 HG2 ARG 25 HG2 ARG 25 -1.207 -9.771 -13.390
163 HG3 ARG 25 HG3 ARG 25 0.393 -10.209 -12.786
164 HD2 ARG 25 HD2 ARG 25 -0.546 -11.374 -10.930
165 HD3 ARG 25 HD3 ARG 25 -2.158 -10.754 -11.281
166 HE ARG 25 HE ARG 25 -1.323 -12.163 -13.521
167 HH11 ARG 25 HH11 ARG 25 -2.017 -12.801 -10.169
168 HH12 ARG 25 HH12 ARG 25 -2.516 -14.436 -10.448
169 HH21 ARG 25 HH21 ARG 25 -1.980 -14.314 -13.902
170 HH22 ARG 25 HH22 ARG 25 -2.494 -15.296 -12.572
171 H GLY 26 H GLY 26 -2.204 -5.432 -11.775
172 HA2 GLY 26 HA2 GLY 26 -1.652 -4.028 -9.838
173 HA3 GLY 26 HA3 GLY 26 0.027 -4.131 -10.341
174 H LYS 27 H LYS 27 -0.622 -1.685 -9.953
175 HA LYS 27 HA LYS 27 -0.671 -0.509 -12.585
176 HB2 LYS 27 HB2 LYS 27 -3.121 -0.815 -11.511
177 HB3 LYS 27 HB3 LYS 27 -2.677 0.721 -10.780
178 HG2 LYS 27 HG2 LYS 27 -2.828 1.845 -12.722
179 HG3 LYS 27 HG3 LYS 27 -2.182 0.504 -13.672
180 HD2 LYS 27 HD2 LYS 27 -4.910 0.306 -12.461
181 HD3 LYS 27 HD3 LYS 27 -4.671 1.209 -13.959
182 HE2 LYS 27 HE2 LYS 27 -3.703 -1.615 -13.596
183 HE3 LYS 27 HE3 LYS 27 -5.323 -1.238 -14.182
184 HZ1 LYS 27 HZ1 LYS 27 -2.908 -1.288 -15.619
185 HZ2 LYS 27 HZ2 LYS 27 -3.525 0.285 -15.662
186 HZ3 LYS 27 HZ3 LYS 27 -4.473 -1.009 -16.198
187 H CYS 28 H CYS 28 0.005 1.689 -12.602
188 HA CYS 28 HA CYS 28 1.429 2.453 -10.148
189 HB2 CYS 28 HB2 CYS 28 2.749 2.107 -12.256
190 HB3 CYS 28 HB3 CYS 28 1.887 3.474 -12.956
191 H TYR 29 H TYR 29 0.290 3.831 -8.950
192 HA TYR 29 HA TYR 29 -0.976 6.119 -10.306
193 HB2 TYR 29 HB2 TYR 29 -2.048 4.466 -8.020
194 HB3 TYR 29 HB3 TYR 29 -2.674 6.061 -8.416
195 HD1 TYR 29 HD1 TYR 29 -3.185 2.657 -8.879
196 HD2 TYR 29 HD2 TYR 29 -3.267 6.329 -11.027
197 HE1 TYR 29 HE1 TYR 29 -4.693 1.645 -10.537
198 HE2 TYR 29 HE2 TYR 29 -4.775 5.327 -12.691
199 HH TYR 29 HH TYR 29 -6.572 2.897 -12.318
200 H GLY 30 H GLY 30 0.271 7.815 -9.839
201 HA2 GLY 30 HA2 GLY 30 1.162 9.500 -8.532
202 HA3 GLY 30 HA3 GLY 30 0.576 8.651 -7.110
203 HA PRO 31 HA PRO 31 5.170 8.392 -7.000
204 HB2 PRO 31 HB2 PRO 31 5.340 8.738 -4.312
205 HB3 PRO 31 HB3 PRO 31 5.250 10.087 -5.451
206 HG2 PRO 31 HG2 PRO 31 3.080 8.855 -3.797
207 HG3 PRO 31 HG3 PRO 31 3.416 10.568 -4.104
208 HD2 PRO 31 HD2 PRO 31 1.479 9.206 -5.417
209 HD3 PRO 31 HD3 PRO 31 2.392 10.529 -6.169
210 H GLN 32 H GLN 32 2.575 6.736 -5.410
211 HA GLN 32 HA GLN 32 4.385 4.520 -4.714
212 HB2 GLN 32 HB2 GLN 32 1.633 5.155 -3.635
213 HB3 GLN 32 HB3 GLN 32 2.613 3.772 -3.167
214 HG2 GLN 32 HG2 GLN 32 4.175 5.106 -2.056
215 HG3 GLN 32 HG3 GLN 32 3.613 6.577 -2.848
216 HE21 GLN 32 HE21 GLN 32 3.858 6.816 -0.269
217 HE22 GLN 32 HE22 GLN 32 2.340 6.748 0.553
218 H CYS 33 H CYS 33 3.729 2.370 -5.184
219 HA CYS 33 HA CYS 33 2.141 2.196 -7.622
220 HB2 CYS 33 HB2 CYS 33 4.257 1.091 -7.744
221 HB3 CYS 33 HB3 CYS 33 3.976 0.249 -6.225
222 H LEU 34 H LEU 34 0.061 1.696 -7.537
223 HA LEU 34 HA LEU 34 -0.953 0.233 -5.198
224 HB2 LEU 34 HB2 LEU 34 -2.619 1.709 -7.213
225 HB3 LEU 34 HB3 LEU 34 -3.060 1.211 -5.580
226 HG LEU 34 HG LEU 34 -1.132 3.414 -6.317
227 HD11 LEU 34 HD11 LEU 34 -2.776 4.934 -5.646
228 HD12 LEU 34 HD12 LEU 34 -3.750 3.682 -4.877
229 HD13 LEU 34 HD13 LEU 34 -3.643 3.760 -6.635
230 HD21 LEU 34 HD21 LEU 34 -0.972 3.865 -3.960
231 HD22 LEU 34 HD22 LEU 34 -0.512 2.187 -4.253
232 HD23 LEU 34 HD23 LEU 34 -2.105 2.564 -3.592
233 H CYS 35 H CYS 35 -1.459 -1.831 -5.449
234 HA CYS 35 HA CYS 35 -1.588 -3.005 -8.084
235 HB2 CYS 35 HB2 CYS 35 -2.063 -4.362 -5.427
236 HB3 CYS 35 HB3 CYS 35 -1.639 -5.126 -6.956
237 H ARG 36 H ARG 36 -3.351 -4.221 -8.901
238 HA ARG 36 HA ARG 36 -5.902 -3.024 -8.353
239 HB2 ARG 36 HB2 ARG 36 -5.324 -5.395 -10.132
240 HB3 ARG 36 HB3 ARG 36 -6.720 -4.327 -10.198
241 HG2 ARG 36 HG2 ARG 36 -5.144 -2.460 -10.768
242 HG3 ARG 36 HG3 ARG 36 -3.876 -3.679 -10.924
243 HD2 ARG 36 HD2 ARG 36 -4.718 -3.292 -13.105
244 HD3 ARG 36 HD3 ARG 36 -5.361 -4.849 -12.585
245 HE ARG 36 HE ARG 36 -7.262 -2.970 -11.901
246 HH11 ARG 36 HH11 ARG 36 -5.721 -4.087 -14.817
247 HH12 ARG 36 HH12 ARG 36 -7.087 -3.743 -15.826
248 HH21 ARG 36 HH21 ARG 36 -9.066 -2.513 -13.219
249 HH22 ARG 36 HH22 ARG 36 -8.988 -2.845 -14.916
Start of MODEL 10
1 H MET 1 H MET 1 1.589 -0.467 0.554
2 HA MET 1 HA MET 1 1.734 0.018 -2.338
3 HB2 MET 1 HB2 MET 1 3.671 1.600 -1.823
4 HB3 MET 1 HB3 MET 1 2.049 2.198 -1.504
5 HG2 MET 1 HG2 MET 1 2.343 2.218 0.747
6 HG3 MET 1 HG3 MET 1 3.483 0.874 0.723
7 HE1 MET 1 HE1 MET 1 5.647 1.353 -1.045
8 HE2 MET 1 HE2 MET 1 6.787 2.537 -0.406
9 HE3 MET 1 HE3 MET 1 6.188 1.241 0.630
10 H CYS 2 H CYS 2 2.624 -1.850 -2.994
11 HA CYS 2 HA CYS 2 4.439 -3.403 -1.498
12 HB2 CYS 2 HB2 CYS 2 2.988 -4.178 -3.426
13 HB3 CYS 2 HB3 CYS 2 4.160 -3.429 -4.504
14 H MET 3 H MET 3 4.892 -0.881 -3.908
15 HA MET 3 HA MET 3 7.579 -0.427 -3.017
16 HB2 MET 3 HB2 MET 3 8.778 -0.992 -4.960
17 HB3 MET 3 HB3 MET 3 7.724 -2.371 -4.672
18 HG2 MET 3 HG2 MET 3 6.177 -1.553 -6.364
19 HG3 MET 3 HG3 MET 3 7.210 -0.154 -6.641
20 HE1 MET 3 HE1 MET 3 10.286 -1.360 -8.256
21 HE2 MET 3 HE2 MET 3 9.710 -0.513 -6.820
22 HE3 MET 3 HE3 MET 3 10.350 -2.152 -6.680
23 HA PRO 4 HA PRO 4 6.649 3.639 -4.387
24 HB2 PRO 4 HB2 PRO 4 9.132 4.596 -4.929
25 HB3 PRO 4 HB3 PRO 4 8.546 4.317 -3.283
26 HG2 PRO 4 HG2 PRO 4 10.309 2.597 -4.985
27 HG3 PRO 4 HG3 PRO 4 10.460 2.996 -3.264
28 HD2 PRO 4 HD2 PRO 4 9.436 0.643 -4.130
29 HD3 PRO 4 HD3 PRO 4 8.890 1.429 -2.635
30 H CYS 5 H CYS 5 5.835 4.351 -6.248
31 HA CYS 5 HA CYS 5 6.998 3.383 -8.763
32 HB2 CYS 5 HB2 CYS 5 4.422 3.277 -7.960
33 HB3 CYS 5 HB3 CYS 5 4.413 4.829 -8.791
34 H PHE 6 H PHE 6 6.733 4.970 -10.639
35 HA PHE 6 HA PHE 6 7.077 7.757 -9.855
36 HB2 PHE 6 HB2 PHE 6 9.177 6.105 -11.250
37 HB3 PHE 6 HB3 PHE 6 9.131 7.860 -11.384
38 HD1 PHE 6 HD1 PHE 6 9.942 9.240 -9.656
39 HD2 PHE 6 HD2 PHE 6 9.505 5.055 -9.014
40 HE1 PHE 6 HE1 PHE 6 11.201 9.435 -7.551
41 HE2 PHE 6 HE2 PHE 6 10.763 5.243 -6.908
42 HZ PHE 6 HZ PHE 6 11.612 7.435 -6.173
43 H THR 7 H THR 7 5.701 8.841 -11.085
44 HA THR 7 HA THR 7 4.519 7.840 -13.433
45 HB THR 7 HB THR 7 3.477 9.982 -13.691
46 HG1 THR 7 HG1 THR 7 5.476 10.930 -11.892
47 HG21 THR 7 HG21 THR 7 3.218 8.478 -11.456
48 HG22 THR 7 HG22 THR 7 2.238 9.903 -11.801
49 HG23 THR 7 HG23 THR 7 3.646 10.035 -10.749
50 H THR 8 H THR 8 7.289 9.934 -12.897
51 HA THR 8 HA THR 8 7.609 10.681 -15.634
52 HB THR 8 HB THR 8 8.522 12.052 -13.799
53 HG1 THR 8 HG1 THR 8 9.794 12.658 -15.372
54 HG21 THR 8 HG21 THR 8 9.383 9.737 -12.695
55 HG22 THR 8 HG22 THR 8 10.024 11.324 -12.273
56 HG23 THR 8 HG23 THR 8 10.875 10.311 -13.439
57 H ASP 9 H ASP 9 8.512 7.942 -13.745
58 HA ASP 9 HA ASP 9 10.550 7.070 -15.624
59 HB2 ASP 9 HB2 ASP 9 9.425 5.676 -13.185
60 HB3 ASP 9 HB3 ASP 9 10.829 5.157 -14.114
61 H HIS 10 H HIS 10 10.271 5.615 -17.208
62 HA HIS 10 HA HIS 10 7.563 4.627 -17.670
63 HB2 HIS 10 HB2 HIS 10 9.948 4.426 -19.514
64 HB3 HIS 10 HB3 HIS 10 8.251 4.213 -19.935
65 HD1 HIS 10 HD1 HIS 10 10.884 6.742 -19.686
66 HD2 HIS 10 HD2 HIS 10 6.735 6.686 -19.867
67 HE1 HIS 10 HE1 HIS 10 10.206 9.089 -20.278
68 H GLN 11 H GLN 11 10.834 3.469 -17.114
69 HA GLN 11 HA GLN 11 10.118 0.703 -17.505
70 HB2 GLN 11 HB2 GLN 11 12.435 0.263 -16.700
71 HB3 GLN 11 HB3 GLN 11 12.361 1.363 -18.070
72 HG2 GLN 11 HG2 GLN 11 12.852 3.230 -16.736
73 HG3 GLN 11 HG3 GLN 11 12.528 2.349 -15.244
74 HE21 GLN 11 HE21 GLN 11 14.923 3.786 -16.540
75 HE22 GLN 11 HE22 GLN 11 16.228 2.685 -16.281
76 H MET 12 H MET 12 9.897 2.947 -14.973
77 HA MET 12 HA MET 12 10.308 1.282 -12.735
78 HB2 MET 12 HB2 MET 12 10.250 3.716 -12.549
79 HB3 MET 12 HB3 MET 12 8.559 3.731 -13.032
80 HG2 MET 12 HG2 MET 12 8.528 3.987 -10.714
81 HG3 MET 12 HG3 MET 12 8.119 2.295 -10.988
82 HE1 MET 12 HE1 MET 12 9.860 1.128 -8.109
83 HE2 MET 12 HE2 MET 12 8.458 1.217 -9.174
84 HE3 MET 12 HE3 MET 12 9.843 0.220 -9.621
85 H ALA 13 H ALA 13 7.415 2.047 -14.627
86 HA ALA 13 HA ALA 13 5.468 0.841 -13.089
87 HB1 ALA 13 HB1 ALA 13 5.701 0.981 -16.090
88 HB2 ALA 13 HB2 ALA 13 4.245 0.479 -15.230
89 HB3 ALA 13 HB3 ALA 13 4.870 2.115 -15.025
90 H ARG 14 H ARG 14 7.811 -0.645 -15.247
91 HA ARG 14 HA ARG 14 6.761 -3.182 -15.528
92 HB2 ARG 14 HB2 ARG 14 8.788 -2.427 -16.679
93 HB3 ARG 14 HB3 ARG 14 9.662 -2.418 -15.154
94 HG2 ARG 14 HG2 ARG 14 10.194 -4.389 -16.479
95 HG3 ARG 14 HG3 ARG 14 9.397 -4.828 -14.967
96 HD2 ARG 14 HD2 ARG 14 7.711 -4.417 -17.382
97 HD3 ARG 14 HD3 ARG 14 8.679 -5.887 -17.282
98 HE ARG 14 HE ARG 14 6.331 -5.258 -15.763
99 HH11 ARG 14 HH11 ARG 14 9.296 -7.082 -15.792
100 HH12 ARG 14 HH12 ARG 14 8.722 -8.280 -14.680
101 HH21 ARG 14 HH21 ARG 14 5.563 -6.829 -14.299
102 HH22 ARG 14 HH22 ARG 14 6.599 -8.136 -13.832
103 H LYS 15 H LYS 15 8.887 -2.000 -12.928
104 HA LYS 15 HA LYS 15 8.821 -4.429 -11.456
105 HB2 LYS 15 HB2 LYS 15 9.520 -1.620 -10.583
106 HB3 LYS 15 HB3 LYS 15 9.798 -3.066 -9.621
107 HG2 LYS 15 HG2 LYS 15 11.482 -3.829 -11.020
108 HG3 LYS 15 HG3 LYS 15 10.949 -2.826 -12.371
109 HD2 LYS 15 HD2 LYS 15 11.924 -1.564 -9.836
110 HD3 LYS 15 HD3 LYS 15 13.073 -2.148 -11.042
111 HE2 LYS 15 HE2 LYS 15 11.361 -0.756 -12.607
112 HE3 LYS 15 HE3 LYS 15 11.259 0.171 -11.111
113 HZ1 LYS 15 HZ1 LYS 15 13.956 -0.447 -11.697
114 HZ2 LYS 15 HZ2 LYS 15 13.225 1.069 -11.523
115 HZ3 LYS 15 HZ3 LYS 15 13.242 0.305 -13.033
116 H CYS 16 H CYS 16 6.972 -1.427 -11.307
117 HA CYS 16 HA CYS 16 5.616 -1.744 -8.935
118 HB2 CYS 16 HB2 CYS 16 5.266 0.279 -10.084
119 HB3 CYS 16 HB3 CYS 16 4.788 -0.544 -11.565
120 H ASP 17 H ASP 17 4.826 -3.136 -12.095
121 HA ASP 17 HA ASP 17 2.459 -4.447 -11.180
122 HB2 ASP 17 HB2 ASP 17 4.102 -5.120 -13.627
123 HB3 ASP 17 HB3 ASP 17 2.404 -5.495 -13.348
124 H ASP 18 H ASP 18 5.832 -5.368 -11.546
125 HA ASP 18 HA ASP 18 5.534 -8.137 -11.169
126 HB2 ASP 18 HB2 ASP 18 7.606 -6.775 -11.926
127 HB3 ASP 18 HB3 ASP 18 7.940 -6.616 -10.203
128 H CYS 19 H CYS 19 6.317 -5.566 -8.834
129 HA CYS 19 HA CYS 19 6.526 -7.120 -6.552
130 HB2 CYS 19 HB2 CYS 19 6.875 -4.549 -6.946
131 HB3 CYS 19 HB3 CYS 19 5.201 -4.436 -6.415
132 H CYS 20 H CYS 20 3.660 -5.911 -8.183
133 HA CYS 20 HA CYS 20 1.814 -6.589 -6.133
134 HB2 CYS 20 HB2 CYS 20 1.421 -6.149 -9.098
135 HB3 CYS 20 HB3 CYS 20 0.106 -6.348 -7.944
136 H GLY 21 H GLY 21 3.333 -8.368 -8.702
137 HA2 GLY 21 HA2 GLY 21 2.888 -10.880 -7.720
138 HA3 GLY 21 HA3 GLY 21 1.464 -10.548 -8.696
139 H GLY 22 H GLY 22 1.937 -9.774 -10.966
140 HA2 GLY 22 HA2 GLY 22 4.473 -10.727 -12.049
141 HA3 GLY 22 HA3 GLY 22 3.030 -11.586 -12.567
142 H LYS 23 H LYS 23 4.479 -10.489 -14.507
143 HA LYS 23 HA LYS 23 4.121 -7.843 -15.204
144 HB2 LYS 23 HB2 LYS 23 5.536 -9.451 -16.443
145 HB3 LYS 23 HB3 LYS 23 4.086 -10.219 -17.076
146 HG2 LYS 23 HG2 LYS 23 3.629 -8.496 -18.512
147 HG3 LYS 23 HG3 LYS 23 4.464 -7.301 -17.516
148 HD2 LYS 23 HD2 LYS 23 6.616 -8.232 -18.170
149 HD3 LYS 23 HD3 LYS 23 5.803 -9.479 -19.121
150 HE2 LYS 23 HE2 LYS 23 4.767 -7.649 -20.476
151 HE3 LYS 23 HE3 LYS 23 5.789 -6.505 -19.608
152 HZ1 LYS 23 HZ1 LYS 23 6.626 -7.340 -21.830
153 HZ2 LYS 23 HZ2 LYS 23 6.922 -8.818 -21.062
154 HZ3 LYS 23 HZ3 LYS 23 7.715 -7.419 -20.535
155 H GLY 24 H GLY 24 2.351 -6.659 -15.458
156 HA2 GLY 24 HA2 GLY 24 0.343 -6.179 -16.684
157 HA3 GLY 24 HA3 GLY 24 -0.008 -7.901 -16.706
158 H ARG 25 H ARG 25 0.842 -7.929 -13.763
159 HA ARG 25 HA ARG 25 -1.814 -7.289 -12.744
160 HB2 ARG 25 HB2 ARG 25 0.403 -8.593 -11.183
161 HB3 ARG 25 HB3 ARG 25 -1.332 -8.707 -10.922
162 HG2 ARG 25 HG2 ARG 25 -1.206 -9.763 -13.371
163 HG3 ARG 25 HG3 ARG 25 0.409 -10.182 -12.793
164 HD2 ARG 25 HD2 ARG 25 -0.407 -11.511 -11.083
165 HD3 ARG 25 HD3 ARG 25 -1.975 -10.704 -11.070
166 HE ARG 25 HE ARG 25 -2.700 -12.182 -12.655
167 HH11 ARG 25 HH11 ARG 25 0.779 -12.246 -12.559
168 HH12 ARG 25 HH12 ARG 25 0.915 -13.590 -13.643
169 HH21 ARG 25 HH21 ARG 25 -2.535 -13.952 -14.084
170 HH22 ARG 25 HH22 ARG 25 -0.970 -14.559 -14.512
171 H GLY 26 H GLY 26 -2.195 -5.414 -11.775
172 HA2 GLY 26 HA2 GLY 26 -1.672 -3.992 -9.854
173 HA3 GLY 26 HA3 GLY 26 0.021 -4.130 -10.303
174 H LYS 27 H LYS 27 -0.853 -1.657 -9.902
175 HA LYS 27 HA LYS 27 -0.749 -0.508 -12.574
176 HB2 LYS 27 HB2 LYS 27 -3.059 -0.252 -10.716
177 HB3 LYS 27 HB3 LYS 27 -2.567 1.188 -11.600
178 HG2 LYS 27 HG2 LYS 27 -3.071 0.245 -13.662
179 HG3 LYS 27 HG3 LYS 27 -3.034 -1.401 -13.026
180 HD2 LYS 27 HD2 LYS 27 -5.149 -1.266 -12.175
181 HD3 LYS 27 HD3 LYS 27 -5.041 0.474 -11.895
182 HE2 LYS 27 HE2 LYS 27 -5.052 0.691 -14.448
183 HE3 LYS 27 HE3 LYS 27 -5.594 -0.987 -14.460
184 HZ1 LYS 27 HZ1 LYS 27 -6.975 1.187 -12.986
185 HZ2 LYS 27 HZ2 LYS 27 -7.527 -0.395 -13.225
186 HZ3 LYS 27 HZ3 LYS 27 -7.416 0.669 -14.535
187 H CYS 28 H CYS 28 -0.096 1.721 -12.589
188 HA CYS 28 HA CYS 28 1.373 2.460 -10.149
189 HB2 CYS 28 HB2 CYS 28 2.697 2.070 -12.239
190 HB3 CYS 28 HB3 CYS 28 1.853 3.431 -12.972
191 H TYR 29 H TYR 29 0.254 3.869 -8.967
192 HA TYR 29 HA TYR 29 -0.928 6.189 -10.339
193 HB2 TYR 29 HB2 TYR 29 -2.121 4.625 -8.042
194 HB3 TYR 29 HB3 TYR 29 -2.735 6.173 -8.612
195 HD1 TYR 29 HD1 TYR 29 -3.471 2.873 -8.665
196 HD2 TYR 29 HD2 TYR 29 -2.879 6.068 -11.412
197 HE1 TYR 29 HE1 TYR 29 -4.865 1.701 -10.320
198 HE2 TYR 29 HE2 TYR 29 -4.271 4.907 -13.074
199 HH TYR 29 HH TYR 29 -5.095 2.757 -13.606
200 H GLY 30 H GLY 30 0.293 7.875 -9.795
201 HA2 GLY 30 HA2 GLY 30 1.147 9.525 -8.413
202 HA3 GLY 30 HA3 GLY 30 0.572 8.611 -7.027
203 HA PRO 31 HA PRO 31 5.182 8.405 -6.980
204 HB2 PRO 31 HB2 PRO 31 5.389 8.746 -4.295
205 HB3 PRO 31 HB3 PRO 31 5.278 10.098 -5.429
206 HG2 PRO 31 HG2 PRO 31 3.135 8.856 -3.747
207 HG3 PRO 31 HG3 PRO 31 3.463 10.572 -4.056
208 HD2 PRO 31 HD2 PRO 31 1.511 9.207 -5.343
209 HD3 PRO 31 HD3 PRO 31 2.410 10.533 -6.106
210 H GLN 32 H GLN 32 2.608 6.724 -5.400
211 HA GLN 32 HA GLN 32 4.434 4.509 -4.742
212 HB2 GLN 32 HB2 GLN 32 1.737 5.188 -3.557
213 HB3 GLN 32 HB3 GLN 32 2.678 3.759 -3.154
214 HG2 GLN 32 HG2 GLN 32 4.406 5.080 -2.180
215 HG3 GLN 32 HG3 GLN 32 3.666 6.571 -2.762
216 HE21 GLN 32 HE21 GLN 32 4.335 6.096 -0.090
217 HE22 GLN 32 HE22 GLN 32 2.878 6.045 0.838
218 H CYS 33 H CYS 33 3.810 2.383 -5.259
219 HA CYS 33 HA CYS 33 2.139 2.221 -7.630
220 HB2 CYS 33 HB2 CYS 33 4.245 1.084 -7.773
221 HB3 CYS 33 HB3 CYS 33 3.953 0.231 -6.260
222 H LEU 34 H LEU 34 0.097 1.560 -7.625
223 HA LEU 34 HA LEU 34 -0.921 0.193 -5.224
224 HB2 LEU 34 HB2 LEU 34 -2.600 1.653 -7.238
225 HB3 LEU 34 HB3 LEU 34 -3.027 1.175 -5.596
226 HG LEU 34 HG LEU 34 -1.162 3.397 -6.422
227 HD11 LEU 34 HD11 LEU 34 -2.779 4.869 -5.568
228 HD12 LEU 34 HD12 LEU 34 -3.672 3.567 -4.781
229 HD13 LEU 34 HD13 LEU 34 -3.683 3.707 -6.539
230 HD21 LEU 34 HD21 LEU 34 -0.210 2.383 -4.482
231 HD22 LEU 34 HD22 LEU 34 -1.785 2.274 -3.696
232 HD23 LEU 34 HD23 LEU 34 -1.041 3.850 -3.967
233 H CYS 35 H CYS 35 -1.462 -1.866 -5.446
234 HA CYS 35 HA CYS 35 -1.618 -3.058 -8.078
235 HB2 CYS 35 HB2 CYS 35 -2.055 -4.424 -5.421
236 HB3 CYS 35 HB3 CYS 35 -1.607 -5.169 -6.952
237 H ARG 36 H ARG 36 -3.423 -3.481 -9.167
238 HA ARG 36 HA ARG 36 -5.927 -2.553 -8.429
239 HB2 ARG 36 HB2 ARG 36 -6.785 -4.104 -10.237
240 HB3 ARG 36 HB3 ARG 36 -5.525 -2.980 -10.726
241 HG2 ARG 36 HG2 ARG 36 -4.279 -4.657 -11.445
242 HG3 ARG 36 HG3 ARG 36 -4.290 -5.381 -9.835
243 HD2 ARG 36 HD2 ARG 36 -6.736 -5.727 -11.458
244 HD3 ARG 36 HD3 ARG 36 -5.299 -6.588 -12.011
245 HE ARG 36 HE ARG 36 -5.450 -7.138 -9.339
246 HH11 ARG 36 HH11 ARG 36 -7.588 -7.505 -12.063
247 HH12 ARG 36 HH12 ARG 36 -8.383 -8.902 -11.416
248 HH21 ARG 36 HH21 ARG 36 -6.489 -8.976 -8.477
249 HH22 ARG 36 HH22 ARG 36 -7.758 -9.738 -9.376
Start of MODEL 11
1 H MET 1 H MET 1 1.341 -1.042 0.453
2 HA MET 1 HA MET 1 1.623 -0.170 -2.262
3 HB2 MET 1 HB2 MET 1 3.567 1.381 -1.684
4 HB3 MET 1 HB3 MET 1 1.945 1.997 -1.398
5 HG2 MET 1 HG2 MET 1 2.169 1.936 0.875
6 HG3 MET 1 HG3 MET 1 3.365 0.642 0.832
7 HE1 MET 1 HE1 MET 1 6.640 2.470 -0.103
8 HE2 MET 1 HE2 MET 1 5.879 0.952 0.373
9 HE3 MET 1 HE3 MET 1 5.543 1.647 -1.212
10 H CYS 2 H CYS 2 2.760 -1.768 -3.121
11 HA CYS 2 HA CYS 2 4.462 -3.444 -1.528
12 HB2 CYS 2 HB2 CYS 2 3.024 -4.223 -3.462
13 HB3 CYS 2 HB3 CYS 2 4.191 -3.460 -4.535
14 H MET 3 H MET 3 4.907 -0.903 -3.915
15 HA MET 3 HA MET 3 7.587 -0.438 -3.016
16 HB2 MET 3 HB2 MET 3 8.797 -0.984 -4.960
17 HB3 MET 3 HB3 MET 3 7.756 -2.374 -4.677
18 HG2 MET 3 HG2 MET 3 6.203 -1.568 -6.370
19 HG3 MET 3 HG3 MET 3 7.223 -0.157 -6.642
20 HE1 MET 3 HE1 MET 3 10.325 -2.031 -6.554
21 HE2 MET 3 HE2 MET 3 10.372 -1.482 -8.229
22 HE3 MET 3 HE3 MET 3 9.726 -0.425 -6.973
23 HA PRO 4 HA PRO 4 6.637 3.626 -4.373
24 HB2 PRO 4 HB2 PRO 4 9.115 4.602 -4.900
25 HB3 PRO 4 HB3 PRO 4 8.526 4.312 -3.259
26 HG2 PRO 4 HG2 PRO 4 10.307 2.610 -4.961
27 HG3 PRO 4 HG3 PRO 4 10.448 3.003 -3.238
28 HD2 PRO 4 HD2 PRO 4 9.442 0.648 -4.117
29 HD3 PRO 4 HD3 PRO 4 8.886 1.425 -2.621
30 H CYS 5 H CYS 5 5.828 4.344 -6.234
31 HA CYS 5 HA CYS 5 7.005 3.392 -8.748
32 HB2 CYS 5 HB2 CYS 5 4.430 3.261 -7.960
33 HB3 CYS 5 HB3 CYS 5 4.410 4.824 -8.770
34 H PHE 6 H PHE 6 6.775 4.975 -10.616
35 HA PHE 6 HA PHE 6 7.073 7.767 -9.830
36 HB2 PHE 6 HB2 PHE 6 9.220 6.130 -11.167
37 HB3 PHE 6 HB3 PHE 6 9.157 7.883 -11.325
38 HD1 PHE 6 HD1 PHE 6 9.939 9.288 -9.609
39 HD2 PHE 6 HD2 PHE 6 9.487 5.116 -8.899
40 HE1 PHE 6 HE1 PHE 6 11.151 9.523 -7.482
41 HE2 PHE 6 HE2 PHE 6 10.697 5.344 -6.770
42 HZ PHE 6 HZ PHE 6 11.533 7.549 -6.059
43 H THR 7 H THR 7 5.782 8.889 -11.113
44 HA THR 7 HA THR 7 4.617 7.864 -13.466
45 HB THR 7 HB THR 7 3.512 9.590 -12.128
46 HG1 THR 7 HG1 THR 7 2.673 9.729 -14.101
47 HG21 THR 7 HG21 THR 7 5.568 11.518 -13.208
48 HG22 THR 7 HG22 THR 7 5.611 10.847 -11.578
49 HG23 THR 7 HG23 THR 7 4.260 11.864 -12.077
50 H THR 8 H THR 8 7.389 9.955 -12.902
51 HA THR 8 HA THR 8 7.769 10.672 -15.636
52 HB THR 8 HB THR 8 8.672 12.035 -13.787
53 HG1 THR 8 HG1 THR 8 9.672 12.224 -15.815
54 HG21 THR 8 HG21 THR 8 9.656 9.573 -12.861
55 HG22 THR 8 HG22 THR 8 9.906 11.166 -12.146
56 HG23 THR 8 HG23 THR 8 11.073 10.524 -13.303
57 H ASP 9 H ASP 9 8.579 7.919 -13.736
58 HA ASP 9 HA ASP 9 10.650 7.014 -15.564
59 HB2 ASP 9 HB2 ASP 9 9.437 5.717 -13.113
60 HB3 ASP 9 HB3 ASP 9 10.762 5.038 -14.054
61 H HIS 10 H HIS 10 10.380 5.584 -17.170
62 HA HIS 10 HA HIS 10 7.667 4.644 -17.705
63 HB2 HIS 10 HB2 HIS 10 10.118 4.489 -19.469
64 HB3 HIS 10 HB3 HIS 10 8.455 4.174 -19.954
65 HD1 HIS 10 HD1 HIS 10 7.038 6.618 -18.829
66 HD2 HIS 10 HD2 HIS 10 10.702 6.791 -20.777
67 HE1 HIS 10 HE1 HIS 10 7.237 8.977 -19.677
68 H GLN 11 H GLN 11 10.902 3.425 -17.075
69 HA GLN 11 HA GLN 11 10.150 0.675 -17.506
70 HB2 GLN 11 HB2 GLN 11 12.436 0.184 -16.661
71 HB3 GLN 11 HB3 GLN 11 12.419 1.315 -18.007
72 HG2 GLN 11 HG2 GLN 11 12.882 3.150 -16.602
73 HG3 GLN 11 HG3 GLN 11 12.548 2.212 -15.147
74 HE21 GLN 11 HE21 GLN 11 14.344 1.880 -14.065
75 HE22 GLN 11 HE22 GLN 11 15.882 1.471 -14.736
76 H MET 12 H MET 12 9.902 2.902 -14.964
77 HA MET 12 HA MET 12 10.218 1.197 -12.735
78 HB2 MET 12 HB2 MET 12 10.235 3.643 -12.548
79 HB3 MET 12 HB3 MET 12 8.541 3.697 -13.014
80 HG2 MET 12 HG2 MET 12 8.407 3.888 -10.734
81 HG3 MET 12 HG3 MET 12 8.190 2.154 -10.963
82 HE1 MET 12 HE1 MET 12 10.138 1.213 -8.079
83 HE2 MET 12 HE2 MET 12 8.635 1.247 -9.001
84 HE3 MET 12 HE3 MET 12 10.015 0.322 -9.597
85 H ALA 13 H ALA 13 7.448 2.002 -14.763
86 HA ALA 13 HA ALA 13 5.381 0.921 -13.287
87 HB1 ALA 13 HB1 ALA 13 5.657 1.962 -15.821
88 HB2 ALA 13 HB2 ALA 13 5.140 0.301 -16.118
89 HB3 ALA 13 HB3 ALA 13 4.162 1.359 -15.103
90 H ARG 14 H ARG 14 7.775 -0.715 -15.276
91 HA ARG 14 HA ARG 14 6.620 -3.235 -15.466
92 HB2 ARG 14 HB2 ARG 14 9.209 -2.072 -15.895
93 HB3 ARG 14 HB3 ARG 14 9.394 -3.620 -15.081
94 HG2 ARG 14 HG2 ARG 14 8.646 -4.804 -16.860
95 HG3 ARG 14 HG3 ARG 14 7.544 -3.530 -17.386
96 HD2 ARG 14 HD2 ARG 14 9.034 -3.047 -18.970
97 HD3 ARG 14 HD3 ARG 14 10.063 -2.415 -17.685
98 HE ARG 14 HE ARG 14 11.418 -4.254 -17.900
99 HH11 ARG 14 HH11 ARG 14 8.429 -4.807 -19.599
100 HH12 ARG 14 HH12 ARG 14 8.980 -6.262 -20.362
101 HH21 ARG 14 HH21 ARG 14 12.154 -6.168 -18.898
102 HH22 ARG 14 HH22 ARG 14 11.099 -7.036 -19.962
103 H LYS 15 H LYS 15 8.949 -2.101 -13.014
104 HA LYS 15 HA LYS 15 8.851 -4.407 -11.418
105 HB2 LYS 15 HB2 LYS 15 9.466 -1.561 -10.601
106 HB3 LYS 15 HB3 LYS 15 9.836 -2.995 -9.652
107 HG2 LYS 15 HG2 LYS 15 11.462 -3.721 -11.188
108 HG3 LYS 15 HG3 LYS 15 10.913 -2.586 -12.424
109 HD2 LYS 15 HD2 LYS 15 11.868 -1.513 -9.812
110 HD3 LYS 15 HD3 LYS 15 13.060 -2.095 -10.977
111 HE2 LYS 15 HE2 LYS 15 11.355 -0.563 -12.511
112 HE3 LYS 15 HE3 LYS 15 11.456 0.334 -10.997
113 HZ1 LYS 15 HZ1 LYS 15 13.653 0.760 -11.285
114 HZ2 LYS 15 HZ2 LYS 15 13.203 0.666 -12.913
115 HZ3 LYS 15 HZ3 LYS 15 13.948 -0.655 -12.165
116 H CYS 16 H CYS 16 6.970 -1.414 -11.321
117 HA CYS 16 HA CYS 16 5.615 -1.721 -8.946
118 HB2 CYS 16 HB2 CYS 16 5.265 0.294 -10.118
119 HB3 CYS 16 HB3 CYS 16 4.773 -0.545 -11.585
120 H ASP 17 H ASP 17 4.783 -3.094 -12.110
121 HA ASP 17 HA ASP 17 2.441 -4.424 -11.173
122 HB2 ASP 17 HB2 ASP 17 4.066 -5.077 -13.637
123 HB3 ASP 17 HB3 ASP 17 2.375 -5.474 -13.343
124 H ASP 18 H ASP 18 5.810 -5.347 -11.601
125 HA ASP 18 HA ASP 18 5.527 -8.113 -11.221
126 HB2 ASP 18 HB2 ASP 18 7.584 -6.868 -12.037
127 HB3 ASP 18 HB3 ASP 18 7.911 -6.480 -10.351
128 H CYS 19 H CYS 19 6.332 -5.555 -8.877
129 HA CYS 19 HA CYS 19 6.555 -7.121 -6.606
130 HB2 CYS 19 HB2 CYS 19 6.909 -4.552 -6.985
131 HB3 CYS 19 HB3 CYS 19 5.237 -4.435 -6.447
132 H CYS 20 H CYS 20 3.675 -5.878 -8.193
133 HA CYS 20 HA CYS 20 1.841 -6.555 -6.140
134 HB2 CYS 20 HB2 CYS 20 1.438 -6.142 -9.109
135 HB3 CYS 20 HB3 CYS 20 0.125 -6.339 -7.952
136 H GLY 21 H GLY 21 3.350 -8.362 -8.695
137 HA2 GLY 21 HA2 GLY 21 2.897 -10.863 -7.679
138 HA3 GLY 21 HA3 GLY 21 1.483 -10.540 -8.670
139 H GLY 22 H GLY 22 2.044 -9.696 -10.938
140 HA2 GLY 22 HA2 GLY 22 4.548 -10.794 -11.969
141 HA3 GLY 22 HA3 GLY 22 3.060 -11.516 -12.563
142 H LYS 23 H LYS 23 4.100 -10.737 -14.625
143 HA LYS 23 HA LYS 23 4.164 -7.951 -15.196
144 HB2 LYS 23 HB2 LYS 23 5.367 -9.883 -16.412
145 HB3 LYS 23 HB3 LYS 23 3.850 -10.108 -17.271
146 HG2 LYS 23 HG2 LYS 23 3.982 -7.746 -18.017
147 HG3 LYS 23 HG3 LYS 23 5.573 -7.641 -17.260
148 HD2 LYS 23 HD2 LYS 23 4.931 -9.755 -19.296
149 HD3 LYS 23 HD3 LYS 23 5.471 -8.144 -19.774
150 HE2 LYS 23 HE2 LYS 23 7.569 -8.429 -18.832
151 HE3 LYS 23 HE3 LYS 23 7.018 -9.704 -17.745
152 HZ1 LYS 23 HZ1 LYS 23 6.854 -10.243 -20.606
153 HZ2 LYS 23 HZ2 LYS 23 7.246 -11.282 -19.330
154 HZ3 LYS 23 HZ3 LYS 23 8.404 -10.203 -19.928
155 H GLY 24 H GLY 24 2.460 -6.661 -15.373
156 HA2 GLY 24 HA2 GLY 24 0.504 -5.994 -16.591
157 HA3 GLY 24 HA3 GLY 24 0.057 -7.688 -16.726
158 H ARG 25 H ARG 25 0.846 -7.946 -13.778
159 HA ARG 25 HA ARG 25 -1.799 -7.323 -12.764
160 HB2 ARG 25 HB2 ARG 25 0.445 -8.578 -11.200
161 HB3 ARG 25 HB3 ARG 25 -1.286 -8.732 -10.937
162 HG2 ARG 25 HG2 ARG 25 -1.152 -9.774 -13.385
163 HG3 ARG 25 HG3 ARG 25 0.482 -10.149 -12.834
164 HD2 ARG 25 HD2 ARG 25 -0.239 -11.723 -11.411
165 HD3 ARG 25 HD3 ARG 25 -1.583 -10.728 -10.853
166 HE ARG 25 HE ARG 25 -1.670 -12.777 -12.846
167 HH11 ARG 25 HH11 ARG 25 -3.119 -9.790 -11.798
168 HH12 ARG 25 HH12 ARG 25 -4.646 -10.115 -12.551
169 HH21 ARG 25 HH21 ARG 25 -3.675 -13.216 -13.841
170 HH22 ARG 25 HH22 ARG 25 -4.961 -12.065 -13.712
171 H GLY 26 H GLY 26 -2.257 -5.485 -11.758
172 HA2 GLY 26 HA2 GLY 26 -1.799 -4.063 -9.824
173 HA3 GLY 26 HA3 GLY 26 -0.098 -4.137 -10.261
174 H LYS 27 H LYS 27 -0.702 -1.709 -9.920
175 HA LYS 27 HA LYS 27 -0.747 -0.540 -12.555
176 HB2 LYS 27 HB2 LYS 27 -3.142 -0.608 -10.954
177 HB3 LYS 27 HB3 LYS 27 -2.613 1.054 -11.172
178 HG2 LYS 27 HG2 LYS 27 -2.861 -0.836 -13.486
179 HG3 LYS 27 HG3 LYS 27 -4.237 0.090 -12.882
180 HD2 LYS 27 HD2 LYS 27 -3.532 1.659 -14.330
181 HD3 LYS 27 HD3 LYS 27 -2.337 2.026 -13.085
182 HE2 LYS 27 HE2 LYS 27 -0.678 0.729 -14.168
183 HE3 LYS 27 HE3 LYS 27 -1.858 -0.000 -15.256
184 HZ1 LYS 27 HZ1 LYS 27 -1.503 1.629 -16.689
185 HZ2 LYS 27 HZ2 LYS 27 -0.345 2.309 -15.661
186 HZ3 LYS 27 HZ3 LYS 27 -1.963 2.789 -15.547
187 H CYS 28 H CYS 28 -0.092 1.682 -12.565
188 HA CYS 28 HA CYS 28 1.360 2.429 -10.119
189 HB2 CYS 28 HB2 CYS 28 2.713 2.053 -12.177
190 HB3 CYS 28 HB3 CYS 28 1.841 3.372 -12.952
191 H TYR 29 H TYR 29 0.228 3.830 -8.940
192 HA TYR 29 HA TYR 29 -0.968 6.141 -10.315
193 HB2 TYR 29 HB2 TYR 29 -2.141 4.652 -7.957
194 HB3 TYR 29 HB3 TYR 29 -2.801 6.123 -8.664
195 HD1 TYR 29 HD1 TYR 29 -3.793 3.049 -8.347
196 HD2 TYR 29 HD2 TYR 29 -2.510 5.533 -11.553
197 HE1 TYR 29 HE1 TYR 29 -5.115 1.694 -9.918
198 HE2 TYR 29 HE2 TYR 29 -3.829 4.187 -13.133
199 HH TYR 29 HH TYR 29 -6.159 2.495 -12.611
200 H GLY 30 H GLY 30 0.255 7.832 -9.786
201 HA2 GLY 30 HA2 GLY 30 1.103 9.494 -8.415
202 HA3 GLY 30 HA3 GLY 30 0.534 8.586 -7.022
203 HA PRO 31 HA PRO 31 5.142 8.398 -6.977
204 HB2 PRO 31 HB2 PRO 31 5.349 8.744 -4.293
205 HB3 PRO 31 HB3 PRO 31 5.232 10.093 -5.429
206 HG2 PRO 31 HG2 PRO 31 3.095 8.844 -3.744
207 HG3 PRO 31 HG3 PRO 31 3.415 10.560 -4.056
208 HD2 PRO 31 HD2 PRO 31 1.468 9.184 -5.340
209 HD3 PRO 31 HD3 PRO 31 2.361 10.513 -6.106
210 H GLN 32 H GLN 32 2.578 6.710 -5.384
211 HA GLN 32 HA GLN 32 4.415 4.502 -4.732
212 HB2 GLN 32 HB2 GLN 32 1.713 5.144 -3.540
213 HB3 GLN 32 HB3 GLN 32 2.702 3.752 -3.118
214 HG2 GLN 32 HG2 GLN 32 4.334 5.086 -2.089
215 HG3 GLN 32 HG3 GLN 32 3.703 6.563 -2.818
216 HE21 GLN 32 HE21 GLN 32 2.135 3.910 -1.067
217 HE22 GLN 32 HE22 GLN 32 1.428 4.904 0.155
218 H CYS 33 H CYS 33 3.846 2.393 -5.299
219 HA CYS 33 HA CYS 33 2.155 2.215 -7.646
220 HB2 CYS 33 HB2 CYS 33 4.263 1.072 -7.769
221 HB3 CYS 33 HB3 CYS 33 3.953 0.222 -6.259
222 H LEU 34 H LEU 34 0.086 1.667 -7.586
223 HA LEU 34 HA LEU 34 -0.932 0.264 -5.209
224 HB2 LEU 34 HB2 LEU 34 -2.561 1.802 -7.214
225 HB3 LEU 34 HB3 LEU 34 -3.049 1.253 -5.611
226 HG LEU 34 HG LEU 34 -1.129 3.484 -6.267
227 HD11 LEU 34 HD11 LEU 34 -3.512 3.837 -4.554
228 HD12 LEU 34 HD12 LEU 34 -3.793 3.613 -6.280
229 HD13 LEU 34 HD13 LEU 34 -2.774 4.937 -5.718
230 HD21 LEU 34 HD21 LEU 34 -1.792 2.145 -3.662
231 HD22 LEU 34 HD22 LEU 34 -1.195 3.803 -3.741
232 HD23 LEU 34 HD23 LEU 34 -0.206 2.478 -4.358
233 H CYS 35 H CYS 35 -1.364 -1.814 -5.476
234 HA CYS 35 HA CYS 35 -1.584 -2.978 -8.100
235 HB2 CYS 35 HB2 CYS 35 -2.048 -4.343 -5.446
236 HB3 CYS 35 HB3 CYS 35 -1.619 -5.096 -6.979
237 H ARG 36 H ARG 36 -3.396 -3.127 -9.226
238 HA ARG 36 HA ARG 36 -5.895 -2.283 -8.397
239 HB2 ARG 36 HB2 ARG 36 -5.302 -4.343 -10.530
240 HB3 ARG 36 HB3 ARG 36 -6.783 -3.406 -10.381
241 HG2 ARG 36 HG2 ARG 36 -5.005 -1.405 -10.491
242 HG3 ARG 36 HG3 ARG 36 -4.138 -2.626 -11.425
243 HD2 ARG 36 HD2 ARG 36 -6.872 -2.609 -12.234
244 HD3 ARG 36 HD3 ARG 36 -6.262 -0.956 -12.259
245 HE ARG 36 HE ARG 36 -4.938 -1.506 -14.043
246 HH11 ARG 36 HH11 ARG 36 -6.087 -4.422 -12.527
247 HH12 ARG 36 HH12 ARG 36 -5.480 -5.463 -13.772
248 HH21 ARG 36 HH21 ARG 36 -4.135 -2.867 -15.689
249 HH22 ARG 36 HH22 ARG 36 -4.370 -4.578 -15.570
Start of MODEL 12
1 H MET 1 H MET 1 1.162 0.661 0.142
2 HA MET 1 HA MET 1 1.812 0.058 -2.432
3 HB2 MET 1 HB2 MET 1 3.763 1.683 -2.116
4 HB3 MET 1 HB3 MET 1 2.150 2.282 -1.747
5 HG2 MET 1 HG2 MET 1 2.554 2.403 0.494
6 HG3 MET 1 HG3 MET 1 3.747 1.108 0.461
7 HE1 MET 1 HE1 MET 1 6.202 1.695 -1.155
8 HE2 MET 1 HE2 MET 1 7.046 2.738 -0.010
9 HE3 MET 1 HE3 MET 1 6.083 1.381 0.577
10 H CYS 2 H CYS 2 2.562 -1.977 -2.855
11 HA CYS 2 HA CYS 2 4.463 -3.429 -1.478
12 HB2 CYS 2 HB2 CYS 2 3.013 -4.219 -3.394
13 HB3 CYS 2 HB3 CYS 2 4.168 -3.459 -4.484
14 H MET 3 H MET 3 4.917 -0.899 -3.873
15 HA MET 3 HA MET 3 7.611 -0.464 -2.995
16 HB2 MET 3 HB2 MET 3 8.799 -1.020 -4.948
17 HB3 MET 3 HB3 MET 3 7.743 -2.398 -4.662
18 HG2 MET 3 HG2 MET 3 6.190 -1.573 -6.343
19 HG3 MET 3 HG3 MET 3 7.217 -0.167 -6.613
20 HE1 MET 3 HE1 MET 3 10.364 -2.133 -6.681
21 HE2 MET 3 HE2 MET 3 10.288 -1.353 -8.261
22 HE3 MET 3 HE3 MET 3 9.713 -0.500 -6.828
23 HA PRO 4 HA PRO 4 6.696 3.614 -4.336
24 HB2 PRO 4 HB2 PRO 4 9.179 4.562 -4.887
25 HB3 PRO 4 HB3 PRO 4 8.603 4.276 -3.241
26 HG2 PRO 4 HG2 PRO 4 10.346 2.557 -4.963
27 HG3 PRO 4 HG3 PRO 4 10.510 2.945 -3.241
28 HD2 PRO 4 HD2 PRO 4 9.468 0.603 -4.114
29 HD3 PRO 4 HD3 PRO 4 8.936 1.383 -2.610
30 H CYS 5 H CYS 5 5.872 4.340 -6.187
31 HA CYS 5 HA CYS 5 7.013 3.380 -8.715
32 HB2 CYS 5 HB2 CYS 5 4.440 3.294 -7.891
33 HB3 CYS 5 HB3 CYS 5 4.440 4.845 -8.724
34 H PHE 6 H PHE 6 6.756 4.977 -10.579
35 HA PHE 6 HA PHE 6 7.119 7.759 -9.785
36 HB2 PHE 6 HB2 PHE 6 9.204 6.098 -11.188
37 HB3 PHE 6 HB3 PHE 6 9.168 7.853 -11.324
38 HD1 PHE 6 HD1 PHE 6 10.006 9.227 -9.607
39 HD2 PHE 6 HD2 PHE 6 9.517 5.051 -8.942
40 HE1 PHE 6 HE1 PHE 6 11.271 9.416 -7.506
41 HE2 PHE 6 HE2 PHE 6 10.782 5.234 -6.841
42 HZ PHE 6 HZ PHE 6 11.663 7.419 -6.120
43 H THR 7 H THR 7 5.914 8.976 -11.068
44 HA THR 7 HA THR 7 4.651 7.961 -13.397
45 HB THR 7 HB THR 7 3.590 9.683 -12.017
46 HG1 THR 7 HG1 THR 7 2.835 10.904 -13.751
47 HG21 THR 7 HG21 THR 7 5.367 11.791 -13.150
48 HG22 THR 7 HG22 THR 7 5.928 10.877 -11.751
49 HG23 THR 7 HG23 THR 7 4.424 11.793 -11.661
50 H THR 8 H THR 8 7.457 10.010 -12.851
51 HA THR 8 HA THR 8 7.801 10.762 -15.580
52 HB THR 8 HB THR 8 8.768 12.143 -13.843
53 HG1 THR 8 HG1 THR 8 10.006 12.377 -15.608
54 HG21 THR 8 HG21 THR 8 11.016 10.470 -13.121
55 HG22 THR 8 HG22 THR 8 9.486 9.722 -12.662
56 HG23 THR 8 HG23 THR 8 9.886 11.340 -12.085
57 H ASP 9 H ASP 9 8.607 7.972 -13.734
58 HA ASP 9 HA ASP 9 10.618 7.065 -15.634
59 HB2 ASP 9 HB2 ASP 9 9.501 5.772 -13.137
60 HB3 ASP 9 HB3 ASP 9 10.786 5.090 -14.130
61 H HIS 10 H HIS 10 10.276 5.635 -17.227
62 HA HIS 10 HA HIS 10 7.540 4.707 -17.648
63 HB2 HIS 10 HB2 HIS 10 9.950 4.999 -19.415
64 HB3 HIS 10 HB3 HIS 10 8.609 3.969 -19.907
65 HD1 HIS 10 HD1 HIS 10 6.530 5.104 -20.795
66 HD2 HIS 10 HD2 HIS 10 9.298 7.778 -19.229
67 HE1 HIS 10 HE1 HIS 10 5.704 7.388 -21.450
68 H GLN 11 H GLN 11 10.792 3.480 -17.147
69 HA GLN 11 HA GLN 11 10.020 0.732 -17.558
70 HB2 GLN 11 HB2 GLN 11 12.341 0.249 -16.756
71 HB3 GLN 11 HB3 GLN 11 12.267 1.330 -18.142
72 HG2 GLN 11 HG2 GLN 11 12.977 3.144 -16.946
73 HG3 GLN 11 HG3 GLN 11 12.367 2.513 -15.417
74 HE21 GLN 11 HE21 GLN 11 14.863 2.055 -17.864
75 HE22 GLN 11 HE22 GLN 11 16.055 1.414 -16.788
76 H MET 12 H MET 12 9.865 2.952 -15.001
77 HA MET 12 HA MET 12 10.276 1.278 -12.779
78 HB2 MET 12 HB2 MET 12 10.210 3.713 -12.586
79 HB3 MET 12 HB3 MET 12 8.514 3.720 -13.050
80 HG2 MET 12 HG2 MET 12 8.478 3.958 -10.740
81 HG3 MET 12 HG3 MET 12 8.127 2.251 -11.004
82 HE1 MET 12 HE1 MET 12 10.165 0.990 -8.244
83 HE2 MET 12 HE2 MET 12 8.562 1.385 -8.865
84 HE3 MET 12 HE3 MET 12 9.616 0.297 -9.770
85 H ALA 13 H ALA 13 7.381 2.022 -14.669
86 HA ALA 13 HA ALA 13 5.436 0.822 -13.126
87 HB1 ALA 13 HB1 ALA 13 5.580 0.743 -16.137
88 HB2 ALA 13 HB2 ALA 13 4.131 0.593 -15.142
89 HB3 ALA 13 HB3 ALA 13 5.016 2.118 -15.187
90 H ARG 14 H ARG 14 7.784 -0.673 -15.272
91 HA ARG 14 HA ARG 14 6.742 -3.217 -15.526
92 HB2 ARG 14 HB2 ARG 14 8.916 -2.166 -16.493
93 HB3 ARG 14 HB3 ARG 14 9.675 -2.805 -15.040
94 HG2 ARG 14 HG2 ARG 14 10.040 -4.500 -16.543
95 HG3 ARG 14 HG3 ARG 14 8.550 -5.037 -15.763
96 HD2 ARG 14 HD2 ARG 14 8.070 -5.337 -18.006
97 HD3 ARG 14 HD3 ARG 14 7.376 -3.749 -17.679
98 HE ARG 14 HE ARG 14 10.066 -3.563 -18.600
99 HH11 ARG 14 HH11 ARG 14 6.780 -4.046 -19.644
100 HH12 ARG 14 HH12 ARG 14 7.057 -3.422 -21.237
101 HH21 ARG 14 HH21 ARG 14 10.444 -2.741 -20.693
102 HH22 ARG 14 HH22 ARG 14 9.141 -2.682 -21.833
103 H LYS 15 H LYS 15 8.874 -1.995 -12.950
104 HA LYS 15 HA LYS 15 8.838 -4.411 -11.455
105 HB2 LYS 15 HB2 LYS 15 9.521 -1.588 -10.618
106 HB3 LYS 15 HB3 LYS 15 9.810 -3.018 -9.638
107 HG2 LYS 15 HG2 LYS 15 11.488 -3.797 -11.040
108 HG3 LYS 15 HG3 LYS 15 10.953 -2.799 -12.395
109 HD2 LYS 15 HD2 LYS 15 11.936 -1.532 -9.865
110 HD3 LYS 15 HD3 LYS 15 13.079 -2.115 -11.077
111 HE2 LYS 15 HE2 LYS 15 11.353 -0.725 -12.631
112 HE3 LYS 15 HE3 LYS 15 11.265 0.204 -11.135
113 HZ1 LYS 15 HZ1 LYS 15 13.922 -0.203 -11.453
114 HZ2 LYS 15 HZ2 LYS 15 13.092 1.205 -11.885
115 HZ3 LYS 15 HZ3 LYS 15 13.399 0.016 -13.048
116 H CYS 16 H CYS 16 6.974 -1.416 -11.312
117 HA CYS 16 HA CYS 16 5.631 -1.733 -8.932
118 HB2 CYS 16 HB2 CYS 16 5.283 0.286 -10.101
119 HB3 CYS 16 HB3 CYS 16 4.765 -0.551 -11.561
120 H ASP 17 H ASP 17 4.791 -3.101 -12.095
121 HA ASP 17 HA ASP 17 2.446 -4.425 -11.165
122 HB2 ASP 17 HB2 ASP 17 4.089 -5.070 -13.620
123 HB3 ASP 17 HB3 ASP 17 2.405 -5.500 -13.332
124 H ASP 18 H ASP 18 5.815 -5.355 -11.563
125 HA ASP 18 HA ASP 18 5.525 -8.120 -11.178
126 HB2 ASP 18 HB2 ASP 18 7.591 -6.852 -11.972
127 HB3 ASP 18 HB3 ASP 18 7.909 -6.508 -10.274
128 H CYS 19 H CYS 19 6.312 -5.555 -8.835
129 HA CYS 19 HA CYS 19 6.514 -7.118 -6.558
130 HB2 CYS 19 HB2 CYS 19 6.865 -4.542 -6.953
131 HB3 CYS 19 HB3 CYS 19 5.197 -4.433 -6.400
132 H CYS 20 H CYS 20 3.654 -5.891 -8.187
133 HA CYS 20 HA CYS 20 1.801 -6.556 -6.142
134 HB2 CYS 20 HB2 CYS 20 1.417 -6.139 -9.113
135 HB3 CYS 20 HB3 CYS 20 0.098 -6.323 -7.960
136 H GLY 21 H GLY 21 3.322 -8.359 -8.693
137 HA2 GLY 21 HA2 GLY 21 2.868 -10.862 -7.693
138 HA3 GLY 21 HA3 GLY 21 1.448 -10.533 -8.675
139 H GLY 22 H GLY 22 1.929 -9.777 -10.951
140 HA2 GLY 22 HA2 GLY 22 4.464 -10.746 -12.018
141 HA3 GLY 22 HA3 GLY 22 3.020 -11.604 -12.535
142 H LYS 23 H LYS 23 4.476 -10.529 -14.479
143 HA LYS 23 HA LYS 23 4.132 -7.885 -15.196
144 HB2 LYS 23 HB2 LYS 23 5.546 -9.496 -16.423
145 HB3 LYS 23 HB3 LYS 23 4.099 -10.281 -17.043
146 HG2 LYS 23 HG2 LYS 23 3.498 -8.319 -18.286
147 HG3 LYS 23 HG3 LYS 23 4.820 -7.404 -17.559
148 HD2 LYS 23 HD2 LYS 23 5.594 -8.027 -19.694
149 HD3 LYS 23 HD3 LYS 23 6.374 -9.146 -18.573
150 HE2 LYS 23 HE2 LYS 23 5.571 -10.368 -20.488
151 HE3 LYS 23 HE3 LYS 23 4.617 -10.811 -19.073
152 HZ1 LYS 23 HZ1 LYS 23 3.740 -8.753 -21.016
153 HZ2 LYS 23 HZ2 LYS 23 2.817 -9.508 -19.818
154 HZ3 LYS 23 HZ3 LYS 23 3.332 -10.387 -21.168
155 H GLY 24 H GLY 24 2.367 -6.695 -15.463
156 HA2 GLY 24 HA2 GLY 24 0.365 -6.217 -16.697
157 HA3 GLY 24 HA3 GLY 24 0.007 -7.937 -16.708
158 H ARG 25 H ARG 25 0.848 -7.948 -13.763
159 HA ARG 25 HA ARG 25 -1.807 -7.287 -12.755
160 HB2 ARG 25 HB2 ARG 25 0.396 -8.598 -11.179
161 HB3 ARG 25 HB3 ARG 25 -1.342 -8.701 -10.925
162 HG2 ARG 25 HG2 ARG 25 -1.204 -9.766 -13.373
163 HG3 ARG 25 HG3 ARG 25 0.399 -10.200 -12.777
164 HD2 ARG 25 HD2 ARG 25 -0.645 -11.214 -10.788
165 HD3 ARG 25 HD3 ARG 25 -2.234 -10.825 -11.446
166 HE ARG 25 HE ARG 25 -0.778 -12.328 -13.328
167 HH11 ARG 25 HH11 ARG 25 -2.375 -12.666 -10.254
168 HH12 ARG 25 HH12 ARG 25 -2.746 -14.343 -10.483
169 HH21 ARG 25 HH21 ARG 25 -1.261 -14.536 -13.642
170 HH22 ARG 25 HH22 ARG 25 -2.110 -15.406 -12.411
171 H GLY 26 H GLY 26 -2.183 -5.415 -11.779
172 HA2 GLY 26 HA2 GLY 26 -1.624 -4.008 -9.843
173 HA3 GLY 26 HA3 GLY 26 0.055 -4.115 -10.352
174 H LYS 27 H LYS 27 -0.605 -1.666 -9.965
175 HA LYS 27 HA LYS 27 -0.651 -0.496 -12.600
176 HB2 LYS 27 HB2 LYS 27 -3.101 -0.808 -11.563
177 HB3 LYS 27 HB3 LYS 27 -2.671 0.707 -10.782
178 HG2 LYS 27 HG2 LYS 27 -2.831 1.884 -12.686
179 HG3 LYS 27 HG3 LYS 27 -2.127 0.596 -13.666
180 HD2 LYS 27 HD2 LYS 27 -4.881 0.297 -12.531
181 HD3 LYS 27 HD3 LYS 27 -4.622 1.242 -14.000
182 HE2 LYS 27 HE2 LYS 27 -3.336 -0.822 -14.841
183 HE3 LYS 27 HE3 LYS 27 -4.133 -1.680 -13.524
184 HZ1 LYS 27 HZ1 LYS 27 -5.655 -0.091 -15.500
185 HZ2 LYS 27 HZ2 LYS 27 -6.229 -1.285 -14.449
186 HZ3 LYS 27 HZ3 LYS 27 -5.265 -1.716 -15.772
187 H CYS 28 H CYS 28 0.030 1.697 -12.621
188 HA CYS 28 HA CYS 28 1.445 2.472 -10.166
189 HB2 CYS 28 HB2 CYS 28 2.755 2.126 -12.289
190 HB3 CYS 28 HB3 CYS 28 1.903 3.508 -12.967
191 H TYR 29 H TYR 29 0.304 3.850 -8.971
192 HA TYR 29 HA TYR 29 -0.959 6.138 -10.327
193 HB2 TYR 29 HB2 TYR 29 -2.052 4.472 -8.061
194 HB3 TYR 29 HB3 TYR 29 -2.675 6.070 -8.454
195 HD1 TYR 29 HD1 TYR 29 -3.154 2.659 -8.958
196 HD2 TYR 29 HD2 TYR 29 -3.269 6.361 -11.051
197 HE1 TYR 29 HE1 TYR 29 -4.645 1.656 -10.637
198 HE2 TYR 29 HE2 TYR 29 -4.761 5.369 -12.736
199 HH TYR 29 HH TYR 29 -6.537 3.128 -12.528
200 H GLY 30 H GLY 30 0.295 7.826 -9.841
201 HA2 GLY 30 HA2 GLY 30 1.172 9.505 -8.516
202 HA3 GLY 30 HA3 GLY 30 0.567 8.651 -7.104
203 HA PRO 31 HA PRO 31 5.160 8.381 -6.943
204 HB2 PRO 31 HB2 PRO 31 5.300 8.726 -4.253
205 HB3 PRO 31 HB3 PRO 31 5.227 10.076 -5.393
206 HG2 PRO 31 HG2 PRO 31 3.035 8.852 -3.764
207 HG3 PRO 31 HG3 PRO 31 3.380 10.564 -4.068
208 HD2 PRO 31 HD2 PRO 31 1.453 9.208 -5.401
209 HD3 PRO 31 HD3 PRO 31 2.380 10.528 -6.144
210 H GLN 32 H GLN 32 2.543 6.736 -5.375
211 HA GLN 32 HA GLN 32 4.336 4.515 -4.661
212 HB2 GLN 32 HB2 GLN 32 1.593 5.211 -3.602
213 HB3 GLN 32 HB3 GLN 32 2.495 3.767 -3.162
214 HG2 GLN 32 HG2 GLN 32 4.231 5.106 -2.158
215 HG3 GLN 32 HG3 GLN 32 3.434 6.586 -2.689
216 HE21 GLN 32 HE21 GLN 32 3.535 7.137 -0.409
217 HE22 GLN 32 HE22 GLN 32 2.297 6.566 0.651
218 H CYS 33 H CYS 33 3.712 2.376 -5.169
219 HA CYS 33 HA CYS 33 2.140 2.205 -7.614
220 HB2 CYS 33 HB2 CYS 33 4.260 1.099 -7.709
221 HB3 CYS 33 HB3 CYS 33 3.953 0.249 -6.198
222 H LEU 34 H LEU 34 0.057 1.717 -7.547
223 HA LEU 34 HA LEU 34 -0.991 0.265 -5.220
224 HB2 LEU 34 HB2 LEU 34 -2.629 1.698 -7.286
225 HB3 LEU 34 HB3 LEU 34 -3.093 1.228 -5.652
226 HG LEU 34 HG LEU 34 -1.198 3.444 -6.426
227 HD11 LEU 34 HD11 LEU 34 -3.799 3.652 -4.940
228 HD12 LEU 34 HD12 LEU 34 -3.705 3.762 -6.698
229 HD13 LEU 34 HD13 LEU 34 -2.855 4.937 -5.694
230 HD21 LEU 34 HD21 LEU 34 -2.071 2.559 -3.679
231 HD22 LEU 34 HD22 LEU 34 -1.026 3.928 -4.060
232 HD23 LEU 34 HD23 LEU 34 -0.477 2.281 -4.378
233 H CYS 35 H CYS 35 -1.476 -1.807 -5.450
234 HA CYS 35 HA CYS 35 -1.564 -3.011 -8.076
235 HB2 CYS 35 HB2 CYS 35 -2.021 -4.336 -5.398
236 HB3 CYS 35 HB3 CYS 35 -1.608 -5.125 -6.917
237 H ARG 36 H ARG 36 -3.307 -4.251 -8.893
238 HA ARG 36 HA ARG 36 -5.889 -3.116 -8.273
239 HB2 ARG 36 HB2 ARG 36 -4.989 -5.141 -10.324
240 HB3 ARG 36 HB3 ARG 36 -6.656 -4.604 -10.158
241 HG2 ARG 36 HG2 ARG 36 -5.603 -2.226 -10.416
242 HG3 ARG 36 HG3 ARG 36 -4.274 -3.121 -11.155
243 HD2 ARG 36 HD2 ARG 36 -7.166 -3.305 -11.994
244 HD3 ARG 36 HD3 ARG 36 -5.943 -2.321 -12.797
245 HE ARG 36 HE ARG 36 -4.983 -4.931 -12.697
246 HH11 ARG 36 HH11 ARG 36 -7.603 -3.165 -14.158
247 HH12 ARG 36 HH12 ARG 36 -7.718 -4.214 -15.532
248 HH21 ARG 36 HH21 ARG 36 -5.123 -6.320 -14.501
249 HH22 ARG 36 HH22 ARG 36 -6.308 -6.010 -15.725
Start of MODEL 13
1 H MET 1 H MET 1 1.049 0.903 0.365
2 HA MET 1 HA MET 1 1.414 -0.214 -2.025
3 HB2 MET 1 HB2 MET 1 3.296 1.341 -2.437
4 HB3 MET 1 HB3 MET 1 1.937 2.116 -1.635
5 HG2 MET 1 HG2 MET 1 3.569 2.954 -0.335
6 HG3 MET 1 HG3 MET 1 3.358 1.425 0.515
7 HE1 MET 1 HE1 MET 1 5.546 3.679 0.136
8 HE2 MET 1 HE2 MET 1 7.134 2.936 -0.057
9 HE3 MET 1 HE3 MET 1 6.271 3.551 -1.468
10 H CYS 2 H CYS 2 2.758 -1.592 -3.080
11 HA CYS 2 HA CYS 2 4.399 -3.327 -1.466
12 HB2 CYS 2 HB2 CYS 2 2.921 -4.101 -3.365
13 HB3 CYS 2 HB3 CYS 2 4.079 -3.367 -4.469
14 H MET 3 H MET 3 4.890 -0.816 -3.873
15 HA MET 3 HA MET 3 7.597 -0.434 -3.017
16 HB2 MET 3 HB2 MET 3 8.764 -1.038 -4.962
17 HB3 MET 3 HB3 MET 3 7.664 -2.382 -4.682
18 HG2 MET 3 HG2 MET 3 6.142 -1.503 -6.365
19 HG3 MET 3 HG3 MET 3 7.217 -0.131 -6.630
20 HE1 MET 3 HE1 MET 3 10.265 -2.150 -6.618
21 HE2 MET 3 HE2 MET 3 10.282 -1.506 -8.260
22 HE3 MET 3 HE3 MET 3 9.699 -0.507 -6.927
23 HA PRO 4 HA PRO 4 6.763 3.654 -4.380
24 HB2 PRO 4 HB2 PRO 4 9.261 4.542 -4.967
25 HB3 PRO 4 HB3 PRO 4 8.699 4.280 -3.311
26 HG2 PRO 4 HG2 PRO 4 10.383 2.510 -5.041
27 HG3 PRO 4 HG3 PRO 4 10.575 2.906 -3.324
28 HD2 PRO 4 HD2 PRO 4 9.469 0.582 -4.169
29 HD3 PRO 4 HD3 PRO 4 8.973 1.385 -2.665
30 H CYS 5 H CYS 5 5.933 4.382 -6.227
31 HA CYS 5 HA CYS 5 7.054 3.406 -8.762
32 HB2 CYS 5 HB2 CYS 5 4.492 3.270 -7.926
33 HB3 CYS 5 HB3 CYS 5 4.455 4.827 -8.744
34 H PHE 6 H PHE 6 6.790 4.982 -10.627
35 HA PHE 6 HA PHE 6 7.086 7.778 -9.853
36 HB2 PHE 6 HB2 PHE 6 9.215 6.172 -11.265
37 HB3 PHE 6 HB3 PHE 6 9.152 7.931 -11.334
38 HD1 PHE 6 HD1 PHE 6 9.893 9.258 -9.522
39 HD2 PHE 6 HD2 PHE 6 9.587 5.035 -9.096
40 HE1 PHE 6 HE1 PHE 6 11.138 9.385 -7.405
41 HE2 PHE 6 HE2 PHE 6 10.832 5.155 -6.977
42 HZ PHE 6 HZ PHE 6 11.611 7.332 -6.130
43 H THR 7 H THR 7 5.645 8.787 -11.076
44 HA THR 7 HA THR 7 4.512 7.774 -13.430
45 HB THR 7 HB THR 7 3.495 9.957 -13.736
46 HG1 THR 7 HG1 THR 7 5.399 10.801 -11.791
47 HG21 THR 7 HG21 THR 7 2.101 9.513 -12.054
48 HG22 THR 7 HG22 THR 7 3.281 10.083 -10.875
49 HG23 THR 7 HG23 THR 7 3.302 8.401 -11.403
50 H THR 8 H THR 8 7.247 9.916 -12.898
51 HA THR 8 HA THR 8 7.566 10.663 -15.632
52 HB THR 8 HB THR 8 8.473 12.043 -13.812
53 HG1 THR 8 HG1 THR 8 10.161 12.630 -15.017
54 HG21 THR 8 HG21 THR 8 9.233 9.863 -12.552
55 HG22 THR 8 HG22 THR 8 10.122 11.373 -12.350
56 HG23 THR 8 HG23 THR 8 10.732 10.128 -13.441
57 H ASP 9 H ASP 9 8.486 7.924 -13.754
58 HA ASP 9 HA ASP 9 10.529 7.070 -15.636
59 HB2 ASP 9 HB2 ASP 9 9.409 5.681 -13.193
60 HB3 ASP 9 HB3 ASP 9 10.792 5.135 -14.136
61 H HIS 10 H HIS 10 10.270 5.599 -17.213
62 HA HIS 10 HA HIS 10 7.564 4.617 -17.702
63 HB2 HIS 10 HB2 HIS 10 9.979 5.088 -19.379
64 HB3 HIS 10 HB3 HIS 10 8.869 3.820 -19.891
65 HD1 HIS 10 HD1 HIS 10 7.512 4.776 -21.721
66 HD2 HIS 10 HD2 HIS 10 8.023 7.476 -18.606
67 HE1 HIS 10 HE1 HIS 10 6.142 6.790 -22.346
68 H GLN 11 H GLN 11 10.823 3.450 -17.105
69 HA GLN 11 HA GLN 11 10.102 0.684 -17.491
70 HB2 GLN 11 HB2 GLN 11 12.380 0.186 -16.853
71 HB3 GLN 11 HB3 GLN 11 12.376 1.529 -17.989
72 HG2 GLN 11 HG2 GLN 11 12.327 2.913 -15.711
73 HG3 GLN 11 HG3 GLN 11 13.131 1.455 -15.134
74 HE21 GLN 11 HE21 GLN 11 15.248 1.372 -15.357
75 HE22 GLN 11 HE22 GLN 11 16.194 2.332 -16.437
76 H MET 12 H MET 12 9.860 2.940 -14.972
77 HA MET 12 HA MET 12 10.237 1.279 -12.724
78 HB2 MET 12 HB2 MET 12 10.194 3.720 -12.560
79 HB3 MET 12 HB3 MET 12 8.500 3.734 -13.034
80 HG2 MET 12 HG2 MET 12 8.604 4.027 -10.682
81 HG3 MET 12 HG3 MET 12 7.987 2.407 -10.997
82 HE1 MET 12 HE1 MET 12 8.516 0.632 -10.086
83 HE2 MET 12 HE2 MET 12 10.087 0.018 -9.569
84 HE3 MET 12 HE3 MET 12 9.086 0.937 -8.444
85 H ALA 13 H ALA 13 7.376 2.055 -14.657
86 HA ALA 13 HA ALA 13 5.400 0.876 -13.136
87 HB1 ALA 13 HB1 ALA 13 4.908 2.165 -15.127
88 HB2 ALA 13 HB2 ALA 13 5.637 0.919 -16.141
89 HB3 ALA 13 HB3 ALA 13 4.162 0.571 -15.239
90 H ARG 14 H ARG 14 7.754 -0.643 -15.258
91 HA ARG 14 HA ARG 14 6.674 -3.176 -15.517
92 HB2 ARG 14 HB2 ARG 14 8.889 -2.112 -16.445
93 HB3 ARG 14 HB3 ARG 14 9.610 -2.862 -15.027
94 HG2 ARG 14 HG2 ARG 14 7.880 -4.517 -16.793
95 HG3 ARG 14 HG3 ARG 14 9.513 -4.113 -17.329
96 HD2 ARG 14 HD2 ARG 14 8.866 -5.364 -14.664
97 HD3 ARG 14 HD3 ARG 14 9.331 -6.278 -16.097
98 HE ARG 14 HE ARG 14 11.219 -4.235 -15.461
99 HH11 ARG 14 HH11 ARG 14 10.183 -7.457 -14.646
100 HH12 ARG 14 HH12 ARG 14 11.734 -7.945 -14.046
101 HH21 ARG 14 HH21 ARG 14 13.266 -4.865 -14.674
102 HH22 ARG 14 HH22 ARG 14 13.485 -6.469 -14.061
103 H LYS 15 H LYS 15 8.919 -2.044 -12.988
104 HA LYS 15 HA LYS 15 8.846 -4.432 -11.482
105 HB2 LYS 15 HB2 LYS 15 9.546 -1.601 -10.689
106 HB3 LYS 15 HB3 LYS 15 9.770 -2.995 -9.640
107 HG2 LYS 15 HG2 LYS 15 11.500 -3.839 -10.902
108 HG3 LYS 15 HG3 LYS 15 10.986 -2.994 -12.364
109 HD2 LYS 15 HD2 LYS 15 11.942 -1.487 -9.952
110 HD3 LYS 15 HD3 LYS 15 13.082 -2.146 -11.127
111 HE2 LYS 15 HE2 LYS 15 11.333 -0.914 -12.775
112 HE3 LYS 15 HE3 LYS 15 11.214 0.123 -11.354
113 HZ1 LYS 15 HZ1 LYS 15 13.645 0.350 -11.406
114 HZ2 LYS 15 HZ2 LYS 15 12.919 0.937 -12.817
115 HZ3 LYS 15 HZ3 LYS 15 13.699 -0.565 -12.829
116 H CYS 16 H CYS 16 6.978 -1.436 -11.305
117 HA CYS 16 HA CYS 16 5.633 -1.790 -8.930
118 HB2 CYS 16 HB2 CYS 16 5.292 0.249 -10.070
119 HB3 CYS 16 HB3 CYS 16 4.769 -0.564 -11.541
120 H ASP 17 H ASP 17 4.868 -3.168 -12.099
121 HA ASP 17 HA ASP 17 2.484 -4.469 -11.225
122 HB2 ASP 17 HB2 ASP 17 4.171 -5.187 -13.627
123 HB3 ASP 17 HB3 ASP 17 2.457 -5.514 -13.386
124 H ASP 18 H ASP 18 5.861 -5.401 -11.505
125 HA ASP 18 HA ASP 18 5.538 -8.169 -11.109
126 HB2 ASP 18 HB2 ASP 18 7.629 -6.845 -11.859
127 HB3 ASP 18 HB3 ASP 18 7.938 -6.639 -10.138
128 H CYS 19 H CYS 19 6.284 -5.569 -8.796
129 HA CYS 19 HA CYS 19 6.465 -7.090 -6.489
130 HB2 CYS 19 HB2 CYS 19 6.798 -4.519 -6.922
131 HB3 CYS 19 HB3 CYS 19 5.121 -4.417 -6.398
132 H CYS 20 H CYS 20 3.621 -5.933 -8.192
133 HA CYS 20 HA CYS 20 1.750 -6.603 -6.152
134 HB2 CYS 20 HB2 CYS 20 1.389 -6.160 -9.123
135 HB3 CYS 20 HB3 CYS 20 0.063 -6.363 -7.982
136 H GLY 21 H GLY 21 3.303 -8.372 -8.709
137 HA2 GLY 21 HA2 GLY 21 2.854 -10.888 -7.737
138 HA3 GLY 21 HA3 GLY 21 1.442 -10.558 -8.729
139 H GLY 22 H GLY 22 1.940 -9.777 -10.993
140 HA2 GLY 22 HA2 GLY 22 4.491 -10.721 -12.046
141 HA3 GLY 22 HA3 GLY 22 3.058 -11.584 -12.584
142 H LYS 23 H LYS 23 4.524 -10.480 -14.505
143 HA LYS 23 HA LYS 23 4.170 -7.833 -15.201
144 HB2 LYS 23 HB2 LYS 23 5.605 -9.417 -16.432
145 HB3 LYS 23 HB3 LYS 23 4.171 -10.215 -17.065
146 HG2 LYS 23 HG2 LYS 23 4.773 -8.851 -18.814
147 HG3 LYS 23 HG3 LYS 23 3.577 -7.859 -17.977
148 HD2 LYS 23 HD2 LYS 23 5.314 -6.365 -18.361
149 HD3 LYS 23 HD3 LYS 23 5.613 -6.896 -16.704
150 HE2 LYS 23 HE2 LYS 23 7.706 -6.958 -17.793
151 HE3 LYS 23 HE3 LYS 23 7.168 -8.634 -17.682
152 HZ1 LYS 23 HZ1 LYS 23 7.323 -8.803 -19.869
153 HZ2 LYS 23 HZ2 LYS 23 7.880 -7.209 -19.970
154 HZ3 LYS 23 HZ3 LYS 23 6.224 -7.535 -20.086
155 H GLY 24 H GLY 24 2.402 -6.650 -15.474
156 HA2 GLY 24 HA2 GLY 24 0.407 -6.172 -16.720
157 HA3 GLY 24 HA3 GLY 24 0.059 -7.894 -16.748
158 H ARG 25 H ARG 25 0.876 -7.925 -13.797
159 HA ARG 25 HA ARG 25 -1.791 -7.281 -12.805
160 HB2 ARG 25 HB2 ARG 25 0.399 -8.605 -11.223
161 HB3 ARG 25 HB3 ARG 25 -1.340 -8.714 -10.988
162 HG2 ARG 25 HG2 ARG 25 -1.172 -9.752 -13.446
163 HG3 ARG 25 HG3 ARG 25 0.424 -10.191 -12.835
164 HD2 ARG 25 HD2 ARG 25 -0.954 -10.972 -10.739
165 HD3 ARG 25 HD3 ARG 25 -2.274 -11.049 -11.904
166 HE ARG 25 HE ARG 25 0.013 -12.379 -12.907
167 HH11 ARG 25 HH11 ARG 25 -2.562 -12.718 -10.590
168 HH12 ARG 25 HH12 ARG 25 -2.550 -14.450 -10.635
169 HH21 ARG 25 HH21 ARG 25 0.040 -14.658 -12.976
170 HH22 ARG 25 HH22 ARG 25 -1.070 -15.553 -11.993
171 H GLY 26 H GLY 26 -2.178 -5.420 -11.815
172 HA2 GLY 26 HA2 GLY 26 -1.629 -4.038 -9.853
173 HA3 GLY 26 HA3 GLY 26 0.050 -4.126 -10.365
174 H LYS 27 H LYS 27 -0.603 -1.688 -9.954
175 HA LYS 27 HA LYS 27 -0.682 -0.489 -12.575
176 HB2 LYS 27 HB2 LYS 27 -3.119 -0.811 -11.485
177 HB3 LYS 27 HB3 LYS 27 -2.673 0.713 -10.731
178 HG2 LYS 27 HG2 LYS 27 -2.851 1.868 -12.650
179 HG3 LYS 27 HG3 LYS 27 -2.197 0.552 -13.629
180 HD2 LYS 27 HD2 LYS 27 -4.356 -0.631 -13.415
181 HD3 LYS 27 HD3 LYS 27 -4.999 0.748 -12.519
182 HE2 LYS 27 HE2 LYS 27 -5.731 1.039 -14.739
183 HE3 LYS 27 HE3 LYS 27 -4.385 2.159 -14.535
184 HZ1 LYS 27 HZ1 LYS 27 -4.666 0.191 -16.466
185 HZ2 LYS 27 HZ2 LYS 27 -3.428 -0.338 -15.442
186 HZ3 LYS 27 HZ3 LYS 27 -3.318 1.175 -16.189
187 H CYS 28 H CYS 28 -0.002 1.706 -12.580
188 HA CYS 28 HA CYS 28 1.436 2.456 -10.131
189 HB2 CYS 28 HB2 CYS 28 2.754 2.121 -12.234
190 HB3 CYS 28 HB3 CYS 28 1.880 3.475 -12.943
191 H TYR 29 H TYR 29 0.301 3.829 -8.922
192 HA TYR 29 HA TYR 29 -0.972 6.122 -10.261
193 HB2 TYR 29 HB2 TYR 29 -2.026 4.453 -7.980
194 HB3 TYR 29 HB3 TYR 29 -2.650 6.058 -8.347
195 HD1 TYR 29 HD1 TYR 29 -3.101 2.634 -8.907
196 HD2 TYR 29 HD2 TYR 29 -3.348 6.390 -10.891
197 HE1 TYR 29 HE1 TYR 29 -4.631 1.652 -10.564
198 HE2 TYR 29 HE2 TYR 29 -4.880 5.419 -12.551
199 HH TYR 29 HH TYR 29 -5.852 3.559 -13.295
200 H GLY 30 H GLY 30 0.231 7.843 -9.786
201 HA2 GLY 30 HA2 GLY 30 1.148 9.515 -8.485
202 HA3 GLY 30 HA3 GLY 30 0.572 8.660 -7.062
203 HA PRO 31 HA PRO 31 5.165 8.410 -6.975
204 HB2 PRO 31 HB2 PRO 31 5.348 8.736 -4.286
205 HB3 PRO 31 HB3 PRO 31 5.248 10.093 -5.414
206 HG2 PRO 31 HG2 PRO 31 3.089 8.843 -3.760
207 HG3 PRO 31 HG3 PRO 31 3.419 10.560 -4.056
208 HD2 PRO 31 HD2 PRO 31 1.479 9.201 -5.370
209 HD3 PRO 31 HD3 PRO 31 2.386 10.532 -6.116
210 H GLN 32 H GLN 32 2.582 6.731 -5.393
211 HA GLN 32 HA GLN 32 4.401 4.524 -4.699
212 HB2 GLN 32 HB2 GLN 32 1.624 5.119 -3.661
213 HB3 GLN 32 HB3 GLN 32 2.617 3.748 -3.183
214 HG2 GLN 32 HG2 GLN 32 4.080 5.056 -1.973
215 HG3 GLN 32 HG3 GLN 32 3.661 6.523 -2.854
216 HE21 GLN 32 HE21 GLN 32 3.504 5.251 0.061
217 HE22 GLN 32 HE22 GLN 32 2.023 5.919 0.643
218 H CYS 33 H CYS 33 3.649 2.343 -5.087
219 HA CYS 33 HA CYS 33 2.138 2.177 -7.587
220 HB2 CYS 33 HB2 CYS 33 4.264 1.089 -7.695
221 HB3 CYS 33 HB3 CYS 33 3.977 0.240 -6.181
222 H LEU 34 H LEU 34 0.049 1.723 -7.480
223 HA LEU 34 HA LEU 34 -0.968 0.222 -5.171
224 HB2 LEU 34 HB2 LEU 34 -2.607 1.721 -7.194
225 HB3 LEU 34 HB3 LEU 34 -3.089 1.180 -5.588
226 HG LEU 34 HG LEU 34 -1.136 3.396 -6.200
227 HD11 LEU 34 HD11 LEU 34 -2.799 4.914 -5.630
228 HD12 LEU 34 HD12 LEU 34 -3.795 3.684 -4.853
229 HD13 LEU 34 HD13 LEU 34 -3.656 3.727 -6.611
230 HD21 LEU 34 HD21 LEU 34 -1.004 3.777 -3.860
231 HD22 LEU 34 HD22 LEU 34 -0.684 2.061 -4.118
232 HD23 LEU 34 HD23 LEU 34 -2.263 2.586 -3.529
233 H CYS 35 H CYS 35 -1.484 -1.839 -5.428
234 HA CYS 35 HA CYS 35 -1.573 -3.012 -8.066
235 HB2 CYS 35 HB2 CYS 35 -2.080 -4.351 -5.404
236 HB3 CYS 35 HB3 CYS 35 -1.677 -5.137 -6.927
237 H ARG 36 H ARG 36 -3.326 -4.222 -8.912
238 HA ARG 36 HA ARG 36 -5.813 -2.989 -8.780
239 HB2 ARG 36 HB2 ARG 36 -4.862 -5.630 -9.819
240 HB3 ARG 36 HB3 ARG 36 -6.587 -5.300 -9.764
241 HG2 ARG 36 HG2 ARG 36 -4.779 -3.301 -11.025
242 HG3 ARG 36 HG3 ARG 36 -5.187 -4.774 -11.906
243 HD2 ARG 36 HD2 ARG 36 -7.482 -4.265 -11.907
244 HD3 ARG 36 HD3 ARG 36 -7.293 -3.038 -10.655
245 HE ARG 36 HE ARG 36 -5.790 -2.291 -12.905
246 HH11 ARG 36 HH11 ARG 36 -9.100 -2.637 -11.887
247 HH12 ARG 36 HH12 ARG 36 -9.694 -1.412 -12.957
248 HH21 ARG 36 HH21 ARG 36 -6.559 -0.676 -14.320
249 HH22 ARG 36 HH22 ARG 36 -8.249 -0.298 -14.342
Start of MODEL 14
1 H MET 1 H MET 1 1.914 0.693 0.697
2 HA MET 1 HA MET 1 1.398 -0.235 -2.036
3 HB2 MET 1 HB2 MET 1 3.259 1.285 -2.662
4 HB3 MET 1 HB3 MET 1 1.928 2.114 -1.865
5 HG2 MET 1 HG2 MET 1 3.153 2.614 -0.023
6 HG3 MET 1 HG3 MET 1 4.157 1.173 -0.162
7 HE1 MET 1 HE1 MET 1 6.647 2.231 0.086
8 HE2 MET 1 HE2 MET 1 6.857 3.933 -0.326
9 HE3 MET 1 HE3 MET 1 5.580 3.447 0.790
10 H CYS 2 H CYS 2 2.738 -1.630 -3.103
11 HA CYS 2 HA CYS 2 4.398 -3.322 -1.483
12 HB2 CYS 2 HB2 CYS 2 2.940 -4.123 -3.378
13 HB3 CYS 2 HB3 CYS 2 4.085 -3.374 -4.488
14 H MET 3 H MET 3 4.906 -0.835 -3.914
15 HA MET 3 HA MET 3 7.612 -0.454 -3.039
16 HB2 MET 3 HB2 MET 3 8.781 -1.063 -4.976
17 HB3 MET 3 HB3 MET 3 7.659 -2.393 -4.726
18 HG2 MET 3 HG2 MET 3 6.162 -1.452 -6.405
19 HG3 MET 3 HG3 MET 3 7.280 -0.112 -6.651
20 HE1 MET 3 HE1 MET 3 10.254 -1.370 -8.263
21 HE2 MET 3 HE2 MET 3 9.761 -0.691 -6.712
22 HE3 MET 3 HE3 MET 3 10.322 -2.362 -6.806
23 HA PRO 4 HA PRO 4 6.792 3.644 -4.377
24 HB2 PRO 4 HB2 PRO 4 9.292 4.527 -4.960
25 HB3 PRO 4 HB3 PRO 4 8.729 4.258 -3.306
26 HG2 PRO 4 HG2 PRO 4 10.406 2.492 -5.048
27 HG3 PRO 4 HG3 PRO 4 10.600 2.877 -3.328
28 HD2 PRO 4 HD2 PRO 4 9.488 0.563 -4.186
29 HD3 PRO 4 HD3 PRO 4 8.994 1.358 -2.677
30 H CYS 5 H CYS 5 5.962 4.386 -6.221
31 HA CYS 5 HA CYS 5 7.063 3.407 -8.761
32 HB2 CYS 5 HB2 CYS 5 4.499 3.337 -7.914
33 HB3 CYS 5 HB3 CYS 5 4.500 4.891 -8.739
34 H PHE 6 H PHE 6 6.745 5.025 -10.622
35 HA PHE 6 HA PHE 6 7.180 7.793 -9.816
36 HB2 PHE 6 HB2 PHE 6 9.182 6.129 -11.339
37 HB3 PHE 6 HB3 PHE 6 9.178 7.888 -11.401
38 HD1 PHE 6 HD1 PHE 6 10.087 9.176 -9.649
39 HD2 PHE 6 HD2 PHE 6 9.573 4.979 -9.164
40 HE1 PHE 6 HE1 PHE 6 11.432 9.253 -7.591
41 HE2 PHE 6 HE2 PHE 6 10.917 5.049 -7.105
42 HZ PHE 6 HZ PHE 6 11.850 7.187 -6.316
43 H THR 7 H THR 7 6.111 9.131 -11.114
44 HA THR 7 HA THR 7 4.680 8.138 -13.377
45 HB THR 7 HB THR 7 3.868 10.440 -13.647
46 HG1 THR 7 HG1 THR 7 5.050 12.023 -12.913
47 HG21 THR 7 HG21 THR 7 3.776 10.130 -10.705
48 HG22 THR 7 HG22 THR 7 3.228 8.751 -11.659
49 HG23 THR 7 HG23 THR 7 2.464 10.326 -11.866
50 H THR 8 H THR 8 7.575 10.078 -12.918
51 HA THR 8 HA THR 8 7.846 10.791 -15.678
52 HB THR 8 HB THR 8 8.851 12.219 -14.002
53 HG1 THR 8 HG1 THR 8 10.591 12.584 -15.200
54 HG21 THR 8 HG21 THR 8 10.358 9.730 -13.240
55 HG22 THR 8 HG22 THR 8 9.386 10.785 -12.215
56 HG23 THR 8 HG23 THR 8 10.945 11.339 -12.825
57 H ASP 9 H ASP 9 8.705 8.061 -13.757
58 HA ASP 9 HA ASP 9 10.664 7.092 -15.679
59 HB2 ASP 9 HB2 ASP 9 10.871 6.820 -13.146
60 HB3 ASP 9 HB3 ASP 9 9.611 5.597 -13.282
61 H HIS 10 H HIS 10 10.260 5.660 -17.246
62 HA HIS 10 HA HIS 10 7.524 4.682 -17.535
63 HB2 HIS 10 HB2 HIS 10 8.281 4.055 -19.841
64 HB3 HIS 10 HB3 HIS 10 8.405 5.775 -19.486
65 HD1 HIS 10 HD1 HIS 10 10.907 6.598 -18.832
66 HD2 HIS 10 HD2 HIS 10 10.584 2.920 -20.736
67 HE1 HIS 10 HE1 HIS 10 13.208 6.092 -19.712
68 H GLN 11 H GLN 11 10.793 3.533 -17.060
69 HA GLN 11 HA GLN 11 10.108 0.765 -17.478
70 HB2 GLN 11 HB2 GLN 11 12.409 0.308 -16.771
71 HB3 GLN 11 HB3 GLN 11 12.357 1.563 -18.002
72 HG2 GLN 11 HG2 GLN 11 13.033 3.200 -16.567
73 HG3 GLN 11 HG3 GLN 11 12.354 2.395 -15.153
74 HE21 GLN 11 HE21 GLN 11 15.145 3.318 -16.479
75 HE22 GLN 11 HE22 GLN 11 16.214 2.122 -15.838
76 H MET 12 H MET 12 9.844 2.976 -14.923
77 HA MET 12 HA MET 12 10.260 1.287 -12.702
78 HB2 MET 12 HB2 MET 12 10.181 3.722 -12.496
79 HB3 MET 12 HB3 MET 12 8.487 3.722 -12.971
80 HG2 MET 12 HG2 MET 12 8.547 3.971 -10.625
81 HG3 MET 12 HG3 MET 12 8.014 2.324 -10.952
82 HE1 MET 12 HE1 MET 12 9.744 0.063 -9.596
83 HE2 MET 12 HE2 MET 12 9.568 1.012 -8.120
84 HE3 MET 12 HE3 MET 12 8.304 1.051 -9.351
85 H ALA 13 H ALA 13 7.373 2.052 -14.601
86 HA ALA 13 HA ALA 13 5.427 0.814 -13.089
87 HB1 ALA 13 HB1 ALA 13 5.728 1.184 -16.048
88 HB2 ALA 13 HB2 ALA 13 4.325 0.360 -15.366
89 HB3 ALA 13 HB3 ALA 13 4.665 2.033 -14.923
90 H ARG 14 H ARG 14 7.788 -0.627 -15.258
91 HA ARG 14 HA ARG 14 6.758 -3.168 -15.574
92 HB2 ARG 14 HB2 ARG 14 8.938 -2.091 -16.496
93 HB3 ARG 14 HB3 ARG 14 9.684 -2.757 -15.049
94 HG2 ARG 14 HG2 ARG 14 10.066 -4.386 -16.647
95 HG3 ARG 14 HG3 ARG 14 8.640 -4.986 -15.797
96 HD2 ARG 14 HD2 ARG 14 8.214 -5.266 -18.110
97 HD3 ARG 14 HD3 ARG 14 7.251 -3.886 -17.585
98 HE ARG 14 HE ARG 14 9.648 -2.865 -18.513
99 HH11 ARG 14 HH11 ARG 14 6.977 -4.698 -19.786
100 HH12 ARG 14 HH12 ARG 14 7.147 -4.078 -21.394
101 HH21 ARG 14 HH21 ARG 14 9.883 -2.040 -20.626
102 HH22 ARG 14 HH22 ARG 14 8.802 -2.565 -21.871
103 H LYS 15 H LYS 15 8.841 -1.985 -12.942
104 HA LYS 15 HA LYS 15 8.792 -4.442 -11.503
105 HB2 LYS 15 HB2 LYS 15 9.493 -1.639 -10.611
106 HB3 LYS 15 HB3 LYS 15 9.755 -3.087 -9.648
107 HG2 LYS 15 HG2 LYS 15 11.466 -3.839 -10.998
108 HG3 LYS 15 HG3 LYS 15 10.923 -2.898 -12.389
109 HD2 LYS 15 HD2 LYS 15 11.836 -1.484 -9.921
110 HD3 LYS 15 HD3 LYS 15 13.034 -2.156 -11.029
111 HE2 LYS 15 HE2 LYS 15 11.312 -0.870 -12.728
112 HE3 LYS 15 HE3 LYS 15 11.303 0.185 -11.314
113 HZ1 LYS 15 HZ1 LYS 15 13.927 -0.362 -11.634
114 HZ2 LYS 15 HZ2 LYS 15 13.152 1.029 -12.203
115 HZ3 LYS 15 HZ3 LYS 15 13.392 -0.287 -13.237
116 H CYS 16 H CYS 16 6.944 -1.439 -11.317
117 HA CYS 16 HA CYS 16 5.583 -1.792 -8.952
118 HB2 CYS 16 HB2 CYS 16 5.260 0.250 -10.097
119 HB3 CYS 16 HB3 CYS 16 4.732 -0.564 -11.566
120 H ASP 17 H ASP 17 4.914 -3.235 -12.101
121 HA ASP 17 HA ASP 17 2.490 -4.507 -11.258
122 HB2 ASP 17 HB2 ASP 17 4.200 -5.238 -13.639
123 HB3 ASP 17 HB3 ASP 17 2.481 -5.554 -13.415
124 H ASP 18 H ASP 18 5.869 -5.450 -11.526
125 HA ASP 18 HA ASP 18 5.534 -8.213 -11.107
126 HB2 ASP 18 HB2 ASP 18 7.622 -7.120 -11.940
127 HB3 ASP 18 HB3 ASP 18 7.912 -6.526 -10.308
128 H CYS 19 H CYS 19 6.285 -5.592 -8.822
129 HA CYS 19 HA CYS 19 6.478 -7.089 -6.500
130 HB2 CYS 19 HB2 CYS 19 6.795 -4.517 -6.964
131 HB3 CYS 19 HB3 CYS 19 5.121 -4.421 -6.425
132 H CYS 20 H CYS 20 3.623 -5.952 -8.200
133 HA CYS 20 HA CYS 20 1.765 -6.621 -6.148
134 HB2 CYS 20 HB2 CYS 20 1.387 -6.175 -9.114
135 HB3 CYS 20 HB3 CYS 20 0.066 -6.384 -7.968
136 H GLY 21 H GLY 21 3.307 -8.386 -8.713
137 HA2 GLY 21 HA2 GLY 21 2.867 -10.903 -7.741
138 HA3 GLY 21 HA3 GLY 21 1.449 -10.574 -8.726
139 H GLY 22 H GLY 22 1.930 -9.798 -10.992
140 HA2 GLY 22 HA2 GLY 22 4.479 -10.731 -12.059
141 HA3 GLY 22 HA3 GLY 22 3.047 -11.600 -12.588
142 H LYS 23 H LYS 23 4.491 -10.497 -14.521
143 HA LYS 23 HA LYS 23 4.125 -7.852 -15.218
144 HB2 LYS 23 HB2 LYS 23 5.536 -9.509 -16.442
145 HB3 LYS 23 HB3 LYS 23 4.068 -10.197 -17.127
146 HG2 LYS 23 HG2 LYS 23 3.725 -8.428 -18.529
147 HG3 LYS 23 HG3 LYS 23 4.557 -7.285 -17.471
148 HD2 LYS 23 HD2 LYS 23 6.118 -7.484 -19.130
149 HD3 LYS 23 HD3 LYS 23 6.642 -8.797 -18.072
150 HE2 LYS 23 HE2 LYS 23 4.626 -9.371 -20.192
151 HE3 LYS 23 HE3 LYS 23 6.316 -9.174 -20.657
152 HZ1 LYS 23 HZ1 LYS 23 5.637 -11.500 -20.163
153 HZ2 LYS 23 HZ2 LYS 23 5.407 -11.051 -18.549
154 HZ3 LYS 23 HZ3 LYS 23 6.948 -10.954 -19.242
155 H GLY 24 H GLY 24 2.353 -6.673 -15.477
156 HA2 GLY 24 HA2 GLY 24 0.346 -6.201 -16.708
157 HA3 GLY 24 HA3 GLY 24 0.002 -7.924 -16.731
158 H ARG 25 H ARG 25 0.844 -7.949 -13.785
159 HA ARG 25 HA ARG 25 -1.817 -7.310 -12.773
160 HB2 ARG 25 HB2 ARG 25 0.390 -8.626 -11.207
161 HB3 ARG 25 HB3 ARG 25 -1.348 -8.739 -10.959
162 HG2 ARG 25 HG2 ARG 25 -1.200 -9.781 -13.416
163 HG3 ARG 25 HG3 ARG 25 0.405 -10.212 -12.820
164 HD2 ARG 25 HD2 ARG 25 -0.915 -11.019 -10.715
165 HD3 ARG 25 HD3 ARG 25 -2.283 -11.057 -11.829
166 HE ARG 25 HE ARG 25 -0.133 -12.407 -13.011
167 HH11 ARG 25 HH11 ARG 25 -2.338 -12.744 -10.338
168 HH12 ARG 25 HH12 ARG 25 -2.290 -14.476 -10.346
169 HH21 ARG 25 HH21 ARG 25 -0.061 -14.686 -13.033
170 HH22 ARG 25 HH22 ARG 25 -0.994 -15.580 -11.880
171 H GLY 26 H GLY 26 -2.198 -5.447 -11.781
172 HA2 GLY 26 HA2 GLY 26 -1.642 -4.059 -9.829
173 HA3 GLY 26 HA3 GLY 26 0.036 -4.152 -10.344
174 H LYS 27 H LYS 27 -0.631 -1.710 -9.932
175 HA LYS 27 HA LYS 27 -0.694 -0.516 -12.555
176 HB2 LYS 27 HB2 LYS 27 -3.137 -0.837 -11.423
177 HB3 LYS 27 HB3 LYS 27 -2.687 0.732 -10.766
178 HG2 LYS 27 HG2 LYS 27 -2.831 1.767 -12.769
179 HG3 LYS 27 HG3 LYS 27 -2.275 0.352 -13.666
180 HD2 LYS 27 HD2 LYS 27 -4.935 0.237 -12.333
181 HD3 LYS 27 HD3 LYS 27 -4.777 1.180 -13.817
182 HE2 LYS 27 HE2 LYS 27 -5.287 -0.838 -14.734
183 HE3 LYS 27 HE3 LYS 27 -3.537 -1.024 -14.627
184 HZ1 LYS 27 HZ1 LYS 27 -3.704 -2.478 -12.891
185 HZ2 LYS 27 HZ2 LYS 27 -5.127 -2.861 -13.722
186 HZ3 LYS 27 HZ3 LYS 27 -5.188 -1.869 -12.354
187 H CYS 28 H CYS 28 -0.020 1.680 -12.559
188 HA CYS 28 HA CYS 28 1.392 2.442 -10.097
189 HB2 CYS 28 HB2 CYS 28 2.740 2.101 -12.176
190 HB3 CYS 28 HB3 CYS 28 1.867 3.442 -12.911
191 H TYR 29 H TYR 29 0.240 3.817 -8.908
192 HA TYR 29 HA TYR 29 -1.040 6.091 -10.275
193 HB2 TYR 29 HB2 TYR 29 -2.069 4.459 -7.955
194 HB3 TYR 29 HB3 TYR 29 -2.708 6.049 -8.355
195 HD1 TYR 29 HD1 TYR 29 -3.225 2.643 -8.767
196 HD2 TYR 29 HD2 TYR 29 -3.326 6.281 -10.971
197 HE1 TYR 29 HE1 TYR 29 -4.754 1.609 -10.392
198 HE2 TYR 29 HE2 TYR 29 -4.857 5.258 -12.602
199 HH TYR 29 HH TYR 29 -6.428 3.431 -12.756
200 H GLY 30 H GLY 30 0.250 7.776 -9.862
201 HA2 GLY 30 HA2 GLY 30 1.148 9.489 -8.594
202 HA3 GLY 30 HA3 GLY 30 0.566 8.673 -7.150
203 HA PRO 31 HA PRO 31 5.156 8.393 -7.049
204 HB2 PRO 31 HB2 PRO 31 5.334 8.775 -4.367
205 HB3 PRO 31 HB3 PRO 31 5.245 10.109 -5.523
206 HG2 PRO 31 HG2 PRO 31 3.075 8.906 -3.847
207 HG3 PRO 31 HG3 PRO 31 3.416 10.615 -4.178
208 HD2 PRO 31 HD2 PRO 31 1.471 9.241 -5.468
209 HD3 PRO 31 HD3 PRO 31 2.388 10.550 -6.241
210 H GLN 32 H GLN 32 2.563 6.774 -5.412
211 HA GLN 32 HA GLN 32 4.367 4.557 -4.705
212 HB2 GLN 32 HB2 GLN 32 1.605 5.135 -3.620
213 HB3 GLN 32 HB3 GLN 32 2.690 3.859 -3.084
214 HG2 GLN 32 HG2 GLN 32 4.283 5.545 -2.308
215 HG3 GLN 32 HG3 GLN 32 3.180 6.818 -2.828
216 HE21 GLN 32 HE21 GLN 32 4.260 5.348 -0.197
217 HE22 GLN 32 HE22 GLN 32 2.869 5.435 0.824
218 H CYS 33 H CYS 33 3.784 2.433 -5.231
219 HA CYS 33 HA CYS 33 2.125 2.230 -7.610
220 HB2 CYS 33 HB2 CYS 33 4.246 1.136 -7.764
221 HB3 CYS 33 HB3 CYS 33 3.995 0.298 -6.236
222 H LEU 34 H LEU 34 0.059 1.680 -7.512
223 HA LEU 34 HA LEU 34 -0.904 0.215 -5.149
224 HB2 LEU 34 HB2 LEU 34 -2.620 1.718 -7.102
225 HB3 LEU 34 HB3 LEU 34 -3.020 1.199 -5.466
226 HG LEU 34 HG LEU 34 -1.081 3.393 -6.196
227 HD11 LEU 34 HD11 LEU 34 -3.618 3.734 -6.516
228 HD12 LEU 34 HD12 LEU 34 -2.707 4.937 -5.603
229 HD13 LEU 34 HD13 LEU 34 -3.680 3.737 -4.753
230 HD21 LEU 34 HD21 LEU 34 -0.352 3.365 -4.099
231 HD22 LEU 34 HD22 LEU 34 -1.194 1.829 -3.888
232 HD23 LEU 34 HD23 LEU 34 -1.999 3.342 -3.466
233 H CYS 35 H CYS 35 -1.403 -1.848 -5.418
234 HA CYS 35 HA CYS 35 -1.565 -3.005 -8.049
235 HB2 CYS 35 HB2 CYS 35 -2.082 -4.345 -5.390
236 HB3 CYS 35 HB3 CYS 35 -1.689 -5.130 -6.917
237 H ARG 36 H ARG 36 -3.342 -4.186 -8.887
238 HA ARG 36 HA ARG 36 -5.796 -2.922 -8.796
239 HB2 ARG 36 HB2 ARG 36 -4.871 -5.598 -9.726
240 HB3 ARG 36 HB3 ARG 36 -6.604 -5.321 -9.606
241 HG2 ARG 36 HG2 ARG 36 -6.074 -3.168 -10.973
242 HG3 ARG 36 HG3 ARG 36 -4.601 -4.041 -11.404
243 HD2 ARG 36 HD2 ARG 36 -7.255 -5.391 -11.647
244 HD3 ARG 36 HD3 ARG 36 -6.738 -4.252 -12.889
245 HE ARG 36 HE ARG 36 -4.616 -5.936 -12.598
246 HH11 ARG 36 HH11 ARG 36 -8.004 -6.359 -13.280
247 HH12 ARG 36 HH12 ARG 36 -7.768 -7.790 -14.227
248 HH21 ARG 36 HH21 ARG 36 -4.293 -7.820 -13.844
249 HH22 ARG 36 HH22 ARG 36 -5.657 -8.621 -14.546
Start of MODEL 15
1 H MET 1 H MET 1 1.823 -0.090 0.785
2 HA MET 1 HA MET 1 1.258 -0.368 -2.066
3 HB2 MET 1 HB2 MET 1 3.108 1.169 -2.654
4 HB3 MET 1 HB3 MET 1 1.778 1.987 -1.846
5 HG2 MET 1 HG2 MET 1 3.493 2.915 -0.708
6 HG3 MET 1 HG3 MET 1 3.260 1.480 0.289
7 HE1 MET 1 HE1 MET 1 5.813 3.542 -0.271
8 HE2 MET 1 HE2 MET 1 7.120 2.812 -1.204
9 HE3 MET 1 HE3 MET 1 5.695 3.446 -2.028
10 H CYS 2 H CYS 2 2.738 -1.627 -3.184
11 HA CYS 2 HA CYS 2 4.344 -3.370 -1.531
12 HB2 CYS 2 HB2 CYS 2 2.915 -4.155 -3.463
13 HB3 CYS 2 HB3 CYS 2 4.088 -3.405 -4.541
14 H MET 3 H MET 3 4.855 -0.862 -3.940
15 HA MET 3 HA MET 3 7.542 -0.449 -3.023
16 HB2 MET 3 HB2 MET 3 8.741 -1.006 -4.972
17 HB3 MET 3 HB3 MET 3 7.679 -2.379 -4.688
18 HG2 MET 3 HG2 MET 3 6.135 -1.547 -6.377
19 HG3 MET 3 HG3 MET 3 7.178 -0.153 -6.651
20 HE1 MET 3 HE1 MET 3 10.300 -2.161 -6.687
21 HE2 MET 3 HE2 MET 3 10.248 -1.389 -8.271
22 HE3 MET 3 HE3 MET 3 9.675 -0.519 -6.846
23 HA PRO 4 HA PRO 4 6.680 3.641 -4.362
24 HB2 PRO 4 HB2 PRO 4 9.179 4.568 -4.877
25 HB3 PRO 4 HB3 PRO 4 8.579 4.283 -3.240
26 HG2 PRO 4 HG2 PRO 4 10.329 2.553 -4.944
27 HG3 PRO 4 HG3 PRO 4 10.473 2.933 -3.218
28 HD2 PRO 4 HD2 PRO 4 9.420 0.605 -4.113
29 HD3 PRO 4 HD3 PRO 4 8.876 1.386 -2.614
30 H CYS 5 H CYS 5 5.888 4.381 -6.223
31 HA CYS 5 HA CYS 5 7.088 3.446 -8.738
32 HB2 CYS 5 HB2 CYS 5 4.507 3.260 -7.968
33 HB3 CYS 5 HB3 CYS 5 4.465 4.824 -8.776
34 H PHE 6 H PHE 6 6.808 5.048 -10.596
35 HA PHE 6 HA PHE 6 7.065 7.834 -9.776
36 HB2 PHE 6 HB2 PHE 6 9.224 6.280 -11.202
37 HB3 PHE 6 HB3 PHE 6 9.142 8.039 -11.227
38 HD1 PHE 6 HD1 PHE 6 9.867 9.328 -9.385
39 HD2 PHE 6 HD2 PHE 6 9.575 5.095 -9.050
40 HE1 PHE 6 HE1 PHE 6 11.094 9.415 -7.254
41 HE2 PHE 6 HE2 PHE 6 10.800 5.176 -6.918
42 HZ PHE 6 HZ PHE 6 11.563 7.337 -6.018
43 H THR 7 H THR 7 5.830 9.010 -11.069
44 HA THR 7 HA THR 7 4.623 7.984 -13.408
45 HB THR 7 HB THR 7 3.547 9.719 -12.049
46 HG1 THR 7 HG1 THR 7 2.944 11.073 -13.858
47 HG21 THR 7 HG21 THR 7 5.917 10.935 -11.870
48 HG22 THR 7 HG22 THR 7 4.395 11.800 -11.668
49 HG23 THR 7 HG23 THR 7 5.243 11.858 -13.213
50 H THR 8 H THR 8 7.420 10.039 -12.860
51 HA THR 8 HA THR 8 7.782 10.775 -15.591
52 HB THR 8 HB THR 8 8.728 12.138 -13.793
53 HG1 THR 8 HG1 THR 8 10.061 12.620 -15.361
54 HG21 THR 8 HG21 THR 8 9.374 9.899 -12.514
55 HG22 THR 8 HG22 THR 8 10.237 11.412 -12.237
56 HG23 THR 8 HG23 THR 8 10.920 10.189 -13.310
57 H ASP 9 H ASP 9 8.576 7.996 -13.721
58 HA ASP 9 HA ASP 9 10.599 7.077 -15.602
59 HB2 ASP 9 HB2 ASP 9 9.461 5.771 -13.121
60 HB3 ASP 9 HB3 ASP 9 10.786 5.128 -14.087
61 H HIS 10 H HIS 10 10.262 5.648 -17.194
62 HA HIS 10 HA HIS 10 7.531 4.709 -17.620
63 HB2 HIS 10 HB2 HIS 10 8.957 5.892 -19.407
64 HB3 HIS 10 HB3 HIS 10 9.830 4.368 -19.536
65 HD1 HIS 10 HD1 HIS 10 8.807 4.613 -22.071
66 HD2 HIS 10 HD2 HIS 10 6.154 3.642 -19.025
67 HE1 HIS 10 HE1 HIS 10 6.786 3.657 -23.220
68 H GLN 11 H GLN 11 10.786 3.494 -17.107
69 HA GLN 11 HA GLN 11 10.025 0.743 -17.513
70 HB2 GLN 11 HB2 GLN 11 12.336 0.254 -16.746
71 HB3 GLN 11 HB3 GLN 11 12.276 1.391 -18.086
72 HG2 GLN 11 HG2 GLN 11 12.915 3.179 -16.773
73 HG3 GLN 11 HG3 GLN 11 12.398 2.398 -15.280
74 HE21 GLN 11 HE21 GLN 11 14.751 3.476 -15.102
75 HE22 GLN 11 HE22 GLN 11 16.029 2.319 -15.206
76 H MET 12 H MET 12 9.855 2.969 -14.963
77 HA MET 12 HA MET 12 10.266 1.305 -12.734
78 HB2 MET 12 HB2 MET 12 10.187 3.737 -12.546
79 HB3 MET 12 HB3 MET 12 8.494 3.737 -13.022
80 HG2 MET 12 HG2 MET 12 8.476 3.992 -10.702
81 HG3 MET 12 HG3 MET 12 8.068 2.300 -10.981
82 HE1 MET 12 HE1 MET 12 8.428 1.242 -9.106
83 HE2 MET 12 HE2 MET 12 9.739 0.225 -9.705
84 HE3 MET 12 HE3 MET 12 9.901 1.052 -8.155
85 H ALA 13 H ALA 13 7.404 1.971 -14.687
86 HA ALA 13 HA ALA 13 5.452 0.772 -13.126
87 HB1 ALA 13 HB1 ALA 13 5.754 1.149 -16.077
88 HB2 ALA 13 HB2 ALA 13 4.384 0.249 -15.428
89 HB3 ALA 13 HB3 ALA 13 4.637 1.929 -14.956
90 H ARG 14 H ARG 14 7.822 -0.690 -15.270
91 HA ARG 14 HA ARG 14 6.808 -3.240 -15.551
92 HB2 ARG 14 HB2 ARG 14 9.110 -2.031 -16.288
93 HB3 ARG 14 HB3 ARG 14 9.710 -3.069 -15.002
94 HG2 ARG 14 HG2 ARG 14 9.932 -4.208 -17.097
95 HG3 ARG 14 HG3 ARG 14 8.680 -5.008 -16.143
96 HD2 ARG 14 HD2 ARG 14 7.108 -4.575 -17.667
97 HD3 ARG 14 HD3 ARG 14 7.610 -2.891 -17.816
98 HE ARG 14 HE ARG 14 8.288 -5.046 -19.562
99 HH11 ARG 14 HH11 ARG 14 9.409 -2.016 -18.269
100 HH12 ARG 14 HH12 ARG 14 10.439 -1.670 -19.619
101 HH21 ARG 14 HH21 ARG 14 9.639 -4.603 -21.346
102 HH22 ARG 14 HH22 ARG 14 10.566 -3.142 -21.370
103 H LYS 15 H LYS 15 8.871 -2.005 -12.929
104 HA LYS 15 HA LYS 15 8.847 -4.438 -11.454
105 HB2 LYS 15 HB2 LYS 15 9.479 -1.613 -10.576
106 HB3 LYS 15 HB3 LYS 15 9.780 -3.054 -9.615
107 HG2 LYS 15 HG2 LYS 15 11.494 -3.776 -10.997
108 HG3 LYS 15 HG3 LYS 15 10.946 -2.790 -12.355
109 HD2 LYS 15 HD2 LYS 15 11.827 -1.450 -9.837
110 HD3 LYS 15 HD3 LYS 15 13.043 -2.079 -10.951
111 HE2 LYS 15 HE2 LYS 15 11.337 -0.758 -12.634
112 HE3 LYS 15 HE3 LYS 15 11.290 0.253 -11.191
113 HZ1 LYS 15 HZ1 LYS 15 13.395 0.919 -11.490
114 HZ2 LYS 15 HZ2 LYS 15 13.156 0.440 -13.094
115 HZ3 LYS 15 HZ3 LYS 15 13.933 -0.600 -12.008
116 H CYS 16 H CYS 16 6.963 -1.451 -11.294
117 HA CYS 16 HA CYS 16 5.578 -1.828 -8.944
118 HB2 CYS 16 HB2 CYS 16 5.240 0.221 -10.050
119 HB3 CYS 16 HB3 CYS 16 4.780 -0.566 -11.556
120 H ASP 17 H ASP 17 5.040 -3.324 -12.077
121 HA ASP 17 HA ASP 17 2.578 -4.586 -11.298
122 HB2 ASP 17 HB2 ASP 17 4.310 -5.400 -13.626
123 HB3 ASP 17 HB3 ASP 17 2.564 -5.563 -13.454
124 H ASP 18 H ASP 18 5.965 -5.532 -11.540
125 HA ASP 18 HA ASP 18 5.627 -8.288 -11.095
126 HB2 ASP 18 HB2 ASP 18 7.722 -7.292 -11.932
127 HB3 ASP 18 HB3 ASP 18 7.985 -6.539 -10.361
128 H CYS 19 H CYS 19 6.379 -5.656 -8.819
129 HA CYS 19 HA CYS 19 6.546 -7.136 -6.487
130 HB2 CYS 19 HB2 CYS 19 6.892 -4.580 -6.947
131 HB3 CYS 19 HB3 CYS 19 5.202 -4.456 -6.468
132 H CYS 20 H CYS 20 3.694 -5.930 -8.166
133 HA CYS 20 HA CYS 20 1.828 -6.610 -6.137
134 HB2 CYS 20 HB2 CYS 20 1.492 -6.137 -9.103
135 HB3 CYS 20 HB3 CYS 20 0.146 -6.401 -8.001
136 H GLY 21 H GLY 21 3.373 -8.394 -8.686
137 HA2 GLY 21 HA2 GLY 21 2.925 -10.905 -7.711
138 HA3 GLY 21 HA3 GLY 21 1.501 -10.575 -8.687
139 H GLY 22 H GLY 22 2.077 -9.651 -10.943
140 HA2 GLY 22 HA2 GLY 22 4.562 -10.743 -12.010
141 HA3 GLY 22 HA3 GLY 22 3.073 -11.465 -12.603
142 H LYS 23 H LYS 23 4.027 -10.673 -14.675
143 HA LYS 23 HA LYS 23 4.094 -7.872 -15.205
144 HB2 LYS 23 HB2 LYS 23 5.354 -9.675 -16.465
145 HB3 LYS 23 HB3 LYS 23 3.830 -10.085 -17.240
146 HG2 LYS 23 HG2 LYS 23 3.701 -7.729 -18.057
147 HG3 LYS 23 HG3 LYS 23 5.334 -7.487 -17.430
148 HD2 LYS 23 HD2 LYS 23 4.640 -9.671 -19.383
149 HD3 LYS 23 HD3 LYS 23 5.150 -8.059 -19.892
150 HE2 LYS 23 HE2 LYS 23 7.173 -9.119 -19.879
151 HE3 LYS 23 HE3 LYS 23 7.130 -8.540 -18.213
152 HZ1 LYS 23 HZ1 LYS 23 7.417 -10.637 -17.603
153 HZ2 LYS 23 HZ2 LYS 23 7.206 -11.208 -19.181
154 HZ3 LYS 23 HZ3 LYS 23 5.863 -10.981 -18.177
155 H GLY 24 H GLY 24 2.376 -6.595 -15.339
156 HA2 GLY 24 HA2 GLY 24 0.406 -5.927 -16.535
157 HA3 GLY 24 HA3 GLY 24 -0.030 -7.623 -16.686
158 H ARG 25 H ARG 25 0.790 -7.908 -13.749
159 HA ARG 25 HA ARG 25 -1.851 -7.356 -12.703
160 HB2 ARG 25 HB2 ARG 25 0.492 -8.555 -11.229
161 HB3 ARG 25 HB3 ARG 25 -1.212 -8.683 -10.817
162 HG2 ARG 25 HG2 ARG 25 -1.192 -9.743 -13.316
163 HG3 ARG 25 HG3 ARG 25 0.394 -10.230 -12.715
164 HD2 ARG 25 HD2 ARG 25 -0.621 -11.906 -11.661
165 HD3 ARG 25 HD3 ARG 25 -1.343 -10.702 -10.594
166 HE ARG 25 HE ARG 25 -2.945 -10.822 -12.847
167 HH11 ARG 25 HH11 ARG 25 -1.925 -12.970 -10.303
168 HH12 ARG 25 HH12 ARG 25 -3.372 -13.920 -10.347
169 HH21 ARG 25 HH21 ARG 25 -4.856 -12.066 -12.915
170 HH22 ARG 25 HH22 ARG 25 -5.039 -13.406 -11.833
171 H GLY 26 H GLY 26 -2.381 -5.565 -11.646
172 HA2 GLY 26 HA2 GLY 26 -2.018 -4.054 -9.807
173 HA3 GLY 26 HA3 GLY 26 -0.291 -4.162 -10.115
174 H LYS 27 H LYS 27 -0.823 -1.725 -9.880
175 HA LYS 27 HA LYS 27 -0.702 -0.614 -12.538
176 HB2 LYS 27 HB2 LYS 27 -3.161 -0.520 -10.995
177 HB3 LYS 27 HB3 LYS 27 -2.566 1.094 -11.360
178 HG2 LYS 27 HG2 LYS 27 -2.785 -0.981 -13.505
179 HG3 LYS 27 HG3 LYS 27 -4.187 -0.032 -13.005
180 HD2 LYS 27 HD2 LYS 27 -3.346 1.913 -13.859
181 HD3 LYS 27 HD3 LYS 27 -1.669 1.425 -13.610
182 HE2 LYS 27 HE2 LYS 27 -3.480 0.212 -15.690
183 HE3 LYS 27 HE3 LYS 27 -2.391 1.560 -16.008
184 HZ1 LYS 27 HZ1 LYS 27 -1.773 -1.097 -16.181
185 HZ2 LYS 27 HZ2 LYS 27 -1.057 -0.614 -14.727
186 HZ3 LYS 27 HZ3 LYS 27 -0.670 0.186 -16.167
187 H CYS 28 H CYS 28 -0.058 1.639 -12.542
188 HA CYS 28 HA CYS 28 1.347 2.365 -10.061
189 HB2 CYS 28 HB2 CYS 28 2.786 1.967 -12.029
190 HB3 CYS 28 HB3 CYS 28 1.925 3.232 -12.901
191 H TYR 29 H TYR 29 0.201 3.790 -8.923
192 HA TYR 29 HA TYR 29 -0.923 6.109 -10.346
193 HB2 TYR 29 HB2 TYR 29 -2.170 4.662 -8.000
194 HB3 TYR 29 HB3 TYR 29 -2.792 6.133 -8.740
195 HD1 TYR 29 HD1 TYR 29 -3.749 3.013 -8.425
196 HD2 TYR 29 HD2 TYR 29 -2.529 5.570 -11.598
197 HE1 TYR 29 HE1 TYR 29 -5.053 1.658 -10.011
198 HE2 TYR 29 HE2 TYR 29 -3.830 4.223 -13.193
199 HH TYR 29 HH TYR 29 -6.164 2.390 -12.578
200 H GLY 30 H GLY 30 0.277 7.806 -9.798
201 HA2 GLY 30 HA2 GLY 30 1.097 9.471 -8.411
202 HA3 GLY 30 HA3 GLY 30 0.537 8.546 -7.026
203 HA PRO 31 HA PRO 31 5.152 8.405 -7.003
204 HB2 PRO 31 HB2 PRO 31 5.372 8.780 -4.323
205 HB3 PRO 31 HB3 PRO 31 5.240 10.116 -5.472
206 HG2 PRO 31 HG2 PRO 31 3.121 8.872 -3.763
207 HG3 PRO 31 HG3 PRO 31 3.427 10.588 -4.093
208 HD2 PRO 31 HD2 PRO 31 1.483 9.187 -5.353
209 HD3 PRO 31 HD3 PRO 31 2.363 10.514 -6.137
210 H GLN 32 H GLN 32 2.604 6.711 -5.403
211 HA GLN 32 HA GLN 32 4.457 4.510 -4.765
212 HB2 GLN 32 HB2 GLN 32 1.782 5.104 -3.488
213 HB3 GLN 32 HB3 GLN 32 2.875 3.798 -3.048
214 HG2 GLN 32 HG2 GLN 32 4.339 5.192 -1.980
215 HG3 GLN 32 HG3 GLN 32 3.882 6.592 -2.949
216 HE21 GLN 32 HE21 GLN 32 4.134 6.463 -0.102
217 HE22 GLN 32 HE22 GLN 32 2.584 6.829 0.565
218 H CYS 33 H CYS 33 3.988 2.467 -5.469
219 HA CYS 33 HA CYS 33 2.200 2.256 -7.703
220 HB2 CYS 33 HB2 CYS 33 4.267 1.057 -7.837
221 HB3 CYS 33 HB3 CYS 33 3.972 0.255 -6.298
222 H LEU 34 H LEU 34 0.152 1.606 -7.701
223 HA LEU 34 HA LEU 34 -0.884 0.275 -5.285
224 HB2 LEU 34 HB2 LEU 34 -2.554 1.866 -7.203
225 HB3 LEU 34 HB3 LEU 34 -2.941 1.374 -5.555
226 HG LEU 34 HG LEU 34 -0.996 3.518 -6.403
227 HD11 LEU 34 HD11 LEU 34 -3.652 3.743 -6.256
228 HD12 LEU 34 HD12 LEU 34 -2.553 5.047 -5.804
229 HD13 LEU 34 HD13 LEU 34 -3.254 4.012 -4.559
230 HD21 LEU 34 HD21 LEU 34 -1.091 1.930 -4.003
231 HD22 LEU 34 HD22 LEU 34 -1.414 3.626 -3.643
232 HD23 LEU 34 HD23 LEU 34 0.068 3.170 -4.484
233 H CYS 35 H CYS 35 -1.192 -1.815 -5.661
234 HA CYS 35 HA CYS 35 -1.473 -2.947 -8.239
235 HB2 CYS 35 HB2 CYS 35 -2.245 -4.234 -5.617
236 HB3 CYS 35 HB3 CYS 35 -1.786 -5.045 -7.111
237 H ARG 36 H ARG 36 -3.190 -2.500 -9.471
238 HA ARG 36 HA ARG 36 -5.714 -1.719 -8.638
239 HB2 ARG 36 HB2 ARG 36 -6.479 -2.280 -10.892
240 HB3 ARG 36 HB3 ARG 36 -4.917 -1.472 -10.943
241 HG2 ARG 36 HG2 ARG 36 -3.860 -3.273 -11.786
242 HG3 ARG 36 HG3 ARG 36 -4.835 -4.415 -10.857
243 HD2 ARG 36 HD2 ARG 36 -5.643 -4.856 -12.941
244 HD3 ARG 36 HD3 ARG 36 -6.734 -3.547 -12.487
245 HE ARG 36 HE ARG 36 -4.604 -2.321 -13.704
246 HH11 ARG 36 HH11 ARG 36 -6.926 -4.759 -14.589
247 HH12 ARG 36 HH12 ARG 36 -6.907 -4.353 -16.273
248 HH21 ARG 36 HH21 ARG 36 -4.569 -1.776 -15.919
249 HH22 ARG 36 HH22 ARG 36 -5.565 -2.656 -17.029
Start of MODEL 16
1 H MET 1 H MET 1 1.929 -0.078 0.844
2 HA MET 1 HA MET 1 1.296 -0.273 -1.968
3 HB2 MET 1 HB2 MET 1 3.125 1.241 -2.673
4 HB3 MET 1 HB3 MET 1 1.825 2.085 -1.842
5 HG2 MET 1 HG2 MET 1 3.585 3.047 -0.802
6 HG3 MET 1 HG3 MET 1 3.382 1.650 0.251
7 HE1 MET 1 HE1 MET 1 5.967 2.811 0.752
8 HE2 MET 1 HE2 MET 1 7.311 2.550 -0.358
9 HE3 MET 1 HE3 MET 1 6.042 3.706 -0.767
10 H CYS 2 H CYS 2 2.720 -1.579 -3.101
11 HA CYS 2 HA CYS 2 4.370 -3.293 -1.474
12 HB2 CYS 2 HB2 CYS 2 2.910 -4.095 -3.370
13 HB3 CYS 2 HB3 CYS 2 4.051 -3.341 -4.478
14 H MET 3 H MET 3 4.853 -0.811 -3.920
15 HA MET 3 HA MET 3 7.553 -0.393 -3.043
16 HB2 MET 3 HB2 MET 3 8.735 -1.011 -4.968
17 HB3 MET 3 HB3 MET 3 7.623 -2.349 -4.711
18 HG2 MET 3 HG2 MET 3 6.124 -1.437 -6.404
19 HG3 MET 3 HG3 MET 3 7.231 -0.090 -6.660
20 HE1 MET 3 HE1 MET 3 9.719 -0.546 -6.895
21 HE2 MET 3 HE2 MET 3 10.227 -2.209 -6.601
22 HE3 MET 3 HE3 MET 3 10.290 -1.544 -8.233
23 HA PRO 4 HA PRO 4 6.691 3.683 -4.426
24 HB2 PRO 4 HB2 PRO 4 9.184 4.588 -5.006
25 HB3 PRO 4 HB3 PRO 4 8.617 4.328 -3.353
26 HG2 PRO 4 HG2 PRO 4 10.321 2.564 -5.069
27 HG3 PRO 4 HG3 PRO 4 10.504 2.969 -3.352
28 HD2 PRO 4 HD2 PRO 4 9.421 0.633 -4.191
29 HD3 PRO 4 HD3 PRO 4 8.911 1.438 -2.693
30 H CYS 5 H CYS 5 5.863 4.399 -6.279
31 HA CYS 5 HA CYS 5 6.996 3.416 -8.805
32 HB2 CYS 5 HB2 CYS 5 4.432 3.279 -7.976
33 HB3 CYS 5 HB3 CYS 5 4.394 4.834 -8.802
34 H PHE 6 H PHE 6 6.702 4.994 -10.680
35 HA PHE 6 HA PHE 6 7.020 7.788 -9.909
36 HB2 PHE 6 HB2 PHE 6 9.123 6.171 -11.345
37 HB3 PHE 6 HB3 PHE 6 9.065 7.928 -11.425
38 HD1 PHE 6 HD1 PHE 6 9.869 9.261 -9.653
39 HD2 PHE 6 HD2 PHE 6 9.487 5.051 -9.153
40 HE1 PHE 6 HE1 PHE 6 11.145 9.399 -7.554
41 HE2 PHE 6 HE2 PHE 6 10.761 5.182 -7.052
42 HZ PHE 6 HZ PHE 6 11.594 7.357 -6.251
43 H THR 7 H THR 7 5.945 9.066 -11.260
44 HA THR 7 HA THR 7 4.625 7.990 -13.552
45 HB THR 7 HB THR 7 3.657 10.180 -13.850
46 HG1 THR 7 HG1 THR 7 4.537 11.967 -13.022
47 HG21 THR 7 HG21 THR 7 3.701 10.195 -10.908
48 HG22 THR 7 HG22 THR 7 3.299 8.641 -11.638
49 HG23 THR 7 HG23 THR 7 2.340 10.071 -12.022
50 H THR 8 H THR 8 7.434 10.036 -13.032
51 HA THR 8 HA THR 8 7.771 10.749 -15.777
52 HB THR 8 HB THR 8 8.703 12.090 -13.897
53 HG1 THR 8 HG1 THR 8 10.721 11.148 -15.674
54 HG21 THR 8 HG21 THR 8 11.067 10.329 -13.694
55 HG22 THR 8 HG22 THR 8 9.609 9.771 -12.876
56 HG23 THR 8 HG23 THR 8 10.300 11.342 -12.472
57 H ASP 9 H ASP 9 8.622 8.016 -13.856
58 HA ASP 9 HA ASP 9 10.618 7.082 -15.763
59 HB2 ASP 9 HB2 ASP 9 10.846 6.826 -13.238
60 HB3 ASP 9 HB3 ASP 9 9.592 5.595 -13.347
61 H HIS 10 H HIS 10 10.259 5.605 -17.303
62 HA HIS 10 HA HIS 10 7.536 4.592 -17.608
63 HB2 HIS 10 HB2 HIS 10 8.301 3.953 -19.894
64 HB3 HIS 10 HB3 HIS 10 8.460 5.674 -19.559
65 HD1 HIS 10 HD1 HIS 10 10.457 2.606 -20.252
66 HD2 HIS 10 HD2 HIS 10 11.107 6.621 -19.403
67 HE1 HIS 10 HE1 HIS 10 12.883 3.018 -20.768
68 H GLN 11 H GLN 11 10.809 3.486 -17.070
69 HA GLN 11 HA GLN 11 10.159 0.704 -17.449
70 HB2 GLN 11 HB2 GLN 11 12.452 0.277 -16.731
71 HB3 GLN 11 HB3 GLN 11 12.410 1.546 -17.949
72 HG2 GLN 11 HG2 GLN 11 12.961 3.200 -16.440
73 HG3 GLN 11 HG3 GLN 11 12.408 2.263 -15.053
74 HE21 GLN 11 HE21 GLN 11 14.610 1.463 -17.709
75 HE22 GLN 11 HE22 GLN 11 15.962 1.083 -16.705
76 H MET 12 H MET 12 9.838 2.956 -14.937
77 HA MET 12 HA MET 12 10.238 1.304 -12.684
78 HB2 MET 12 HB2 MET 12 10.131 3.760 -12.557
79 HB3 MET 12 HB3 MET 12 8.426 3.706 -12.983
80 HG2 MET 12 HG2 MET 12 8.527 4.005 -10.651
81 HG3 MET 12 HG3 MET 12 8.059 2.328 -10.920
82 HE1 MET 12 HE1 MET 12 9.290 0.331 -10.232
83 HE2 MET 12 HE2 MET 12 10.420 0.405 -8.880
84 HE3 MET 12 HE3 MET 12 8.808 1.103 -8.721
85 H ALA 13 H ALA 13 7.375 2.022 -14.636
86 HA ALA 13 HA ALA 13 5.414 0.800 -13.127
87 HB1 ALA 13 HB1 ALA 13 4.521 1.882 -14.923
88 HB2 ALA 13 HB2 ALA 13 5.770 1.311 -16.031
89 HB3 ALA 13 HB3 ALA 13 4.471 0.227 -15.533
90 H ARG 14 H ARG 14 7.810 -0.663 -15.244
91 HA ARG 14 HA ARG 14 6.796 -3.211 -15.538
92 HB2 ARG 14 HB2 ARG 14 8.996 -2.125 -16.428
93 HB3 ARG 14 HB3 ARG 14 9.712 -2.801 -14.971
94 HG2 ARG 14 HG2 ARG 14 9.514 -4.949 -15.700
95 HG3 ARG 14 HG3 ARG 14 8.087 -4.602 -16.679
96 HD2 ARG 14 HD2 ARG 14 9.627 -4.873 -18.340
97 HD3 ARG 14 HD3 ARG 14 9.820 -3.146 -18.042
98 HE ARG 14 HE ARG 14 11.625 -4.286 -16.370
99 HH11 ARG 14 HH11 ARG 14 10.987 -4.557 -19.781
100 HH12 ARG 14 HH12 ARG 14 12.637 -4.892 -20.196
101 HH21 ARG 14 HH21 ARG 14 13.799 -4.726 -16.903
102 HH22 ARG 14 HH22 ARG 14 14.235 -4.989 -18.557
103 H LYS 15 H LYS 15 8.916 -2.039 -12.925
104 HA LYS 15 HA LYS 15 8.840 -4.453 -11.445
105 HB2 LYS 15 HB2 LYS 15 9.475 -1.634 -10.553
106 HB3 LYS 15 HB3 LYS 15 9.766 -3.079 -9.594
107 HG2 LYS 15 HG2 LYS 15 11.504 -3.784 -10.937
108 HG3 LYS 15 HG3 LYS 15 10.946 -2.848 -12.327
109 HD2 LYS 15 HD2 LYS 15 11.784 -1.402 -9.859
110 HD3 LYS 15 HD3 LYS 15 13.028 -2.074 -10.915
111 HE2 LYS 15 HE2 LYS 15 11.332 -0.840 -12.685
112 HE3 LYS 15 HE3 LYS 15 11.287 0.241 -11.294
113 HZ1 LYS 15 HZ1 LYS 15 13.886 -0.151 -11.455
114 HZ2 LYS 15 HZ2 LYS 15 13.103 1.070 -12.325
115 HZ3 LYS 15 HZ3 LYS 15 13.498 -0.387 -13.086
116 H CYS 16 H CYS 16 6.973 -1.454 -11.273
117 HA CYS 16 HA CYS 16 5.571 -1.838 -8.937
118 HB2 CYS 16 HB2 CYS 16 5.250 0.218 -10.041
119 HB3 CYS 16 HB3 CYS 16 4.787 -0.565 -11.549
120 H ASP 17 H ASP 17 5.046 -3.322 -12.078
121 HA ASP 17 HA ASP 17 2.572 -4.572 -11.327
122 HB2 ASP 17 HB2 ASP 17 4.344 -5.371 -13.635
123 HB3 ASP 17 HB3 ASP 17 2.602 -5.579 -13.480
124 H ASP 18 H ASP 18 5.958 -5.523 -11.490
125 HA ASP 18 HA ASP 18 5.587 -8.283 -11.044
126 HB2 ASP 18 HB2 ASP 18 7.709 -6.974 -11.793
127 HB3 ASP 18 HB3 ASP 18 8.008 -6.797 -10.066
128 H CYS 19 H CYS 19 6.321 -5.625 -8.794
129 HA CYS 19 HA CYS 19 6.486 -7.077 -6.444
130 HB2 CYS 19 HB2 CYS 19 6.797 -4.512 -6.954
131 HB3 CYS 19 HB3 CYS 19 5.116 -4.415 -6.434
132 H CYS 20 H CYS 20 3.646 -5.970 -8.192
133 HA CYS 20 HA CYS 20 1.774 -6.640 -6.147
134 HB2 CYS 20 HB2 CYS 20 1.421 -6.158 -9.112
135 HB3 CYS 20 HB3 CYS 20 0.087 -6.396 -7.986
136 H GLY 21 H GLY 21 3.328 -8.385 -8.718
137 HA2 GLY 21 HA2 GLY 21 2.889 -10.910 -7.771
138 HA3 GLY 21 HA3 GLY 21 1.468 -10.575 -8.750
139 H GLY 22 H GLY 22 1.943 -9.779 -11.011
140 HA2 GLY 22 HA2 GLY 22 4.490 -10.700 -12.092
141 HA3 GLY 22 HA3 GLY 22 3.057 -11.567 -12.624
142 H LYS 23 H LYS 23 4.498 -10.442 -14.551
143 HA LYS 23 HA LYS 23 4.126 -7.792 -15.224
144 HB2 LYS 23 HB2 LYS 23 5.420 -9.717 -16.431
145 HB3 LYS 23 HB3 LYS 23 3.920 -9.919 -17.328
146 HG2 LYS 23 HG2 LYS 23 4.137 -7.921 -18.417
147 HG3 LYS 23 HG3 LYS 23 5.101 -7.197 -17.128
148 HD2 LYS 23 HD2 LYS 23 6.608 -7.531 -18.898
149 HD3 LYS 23 HD3 LYS 23 6.920 -8.861 -17.781
150 HE2 LYS 23 HE2 LYS 23 6.858 -9.928 -19.838
151 HE3 LYS 23 HE3 LYS 23 5.218 -10.160 -19.234
152 HZ1 LYS 23 HZ1 LYS 23 5.550 -7.740 -20.749
153 HZ2 LYS 23 HZ2 LYS 23 4.371 -8.946 -20.882
154 HZ3 LYS 23 HZ3 LYS 23 5.865 -9.136 -21.651
155 H GLY 24 H GLY 24 2.351 -6.615 -15.472
156 HA2 GLY 24 HA2 GLY 24 0.341 -6.137 -16.695
157 HA3 GLY 24 HA3 GLY 24 -0.001 -7.861 -16.730
158 H ARG 25 H ARG 25 0.847 -7.906 -13.787
159 HA ARG 25 HA ARG 25 -1.814 -7.287 -12.765
160 HB2 ARG 25 HB2 ARG 25 0.410 -8.594 -11.215
161 HB3 ARG 25 HB3 ARG 25 -1.324 -8.716 -10.952
162 HG2 ARG 25 HG2 ARG 25 -1.195 -9.752 -13.412
163 HG3 ARG 25 HG3 ARG 25 0.418 -10.175 -12.836
164 HD2 ARG 25 HD2 ARG 25 -0.581 -11.239 -10.862
165 HD3 ARG 25 HD3 ARG 25 -2.187 -10.836 -11.468
166 HE ARG 25 HE ARG 25 -1.088 -12.245 -13.502
167 HH11 ARG 25 HH11 ARG 25 -1.471 -12.851 -10.094
168 HH12 ARG 25 HH12 ARG 25 -1.580 -14.570 -10.279
169 HH21 ARG 25 HH21 ARG 25 -1.230 -14.507 -13.758
170 HH22 ARG 25 HH22 ARG 25 -1.442 -15.511 -12.364
171 H GLY 26 H GLY 26 -2.203 -5.422 -11.782
172 HA2 GLY 26 HA2 GLY 26 -1.691 -4.011 -9.851
173 HA3 GLY 26 HA3 GLY 26 0.004 -4.140 -10.295
174 H LYS 27 H LYS 27 -0.908 -1.674 -9.875
175 HA LYS 27 HA LYS 27 -0.796 -0.508 -12.543
176 HB2 LYS 27 HB2 LYS 27 -3.079 -0.211 -10.642
177 HB3 LYS 27 HB3 LYS 27 -2.606 1.182 -11.605
178 HG2 LYS 27 HG2 LYS 27 -3.178 0.160 -13.603
179 HG3 LYS 27 HG3 LYS 27 -3.095 -1.462 -12.911
180 HD2 LYS 27 HD2 LYS 27 -5.189 -1.336 -12.019
181 HD3 LYS 27 HD3 LYS 27 -5.094 0.408 -11.766
182 HE2 LYS 27 HE2 LYS 27 -6.694 0.079 -13.471
183 HE3 LYS 27 HE3 LYS 27 -5.235 0.652 -14.276
184 HZ1 LYS 27 HZ1 LYS 27 -6.579 -1.434 -15.132
185 HZ2 LYS 27 HZ2 LYS 27 -5.581 -2.236 -14.027
186 HZ3 LYS 27 HZ3 LYS 27 -4.897 -1.333 -15.283
187 H CYS 28 H CYS 28 -0.177 1.744 -12.535
188 HA CYS 28 HA CYS 28 1.315 2.459 -10.101
189 HB2 CYS 28 HB2 CYS 28 2.652 2.084 -12.172
190 HB3 CYS 28 HB3 CYS 28 1.787 3.415 -12.931
191 H TYR 29 H TYR 29 0.204 3.866 -8.910
192 HA TYR 29 HA TYR 29 -0.978 6.193 -10.267
193 HB2 TYR 29 HB2 TYR 29 -2.173 4.636 -7.966
194 HB3 TYR 29 HB3 TYR 29 -2.795 6.171 -8.563
195 HD1 TYR 29 HD1 TYR 29 -3.502 2.860 -8.576
196 HD2 TYR 29 HD2 TYR 29 -2.929 6.030 -11.357
197 HE1 TYR 29 HE1 TYR 29 -4.878 1.657 -10.221
198 HE2 TYR 29 HE2 TYR 29 -4.305 4.836 -13.010
199 HH TYR 29 HH TYR 29 -6.296 2.291 -12.249
200 H GLY 30 H GLY 30 0.239 7.878 -9.710
201 HA2 GLY 30 HA2 GLY 30 1.068 9.524 -8.304
202 HA3 GLY 30 HA3 GLY 30 0.539 8.568 -6.927
203 HA PRO 31 HA PRO 31 5.154 8.452 -6.990
204 HB2 PRO 31 HB2 PRO 31 5.420 8.772 -4.307
205 HB3 PRO 31 HB3 PRO 31 5.260 10.132 -5.426
206 HG2 PRO 31 HG2 PRO 31 3.179 8.840 -3.705
207 HG3 PRO 31 HG3 PRO 31 3.471 10.563 -4.005
208 HD2 PRO 31 HD2 PRO 31 1.510 9.178 -5.258
209 HD3 PRO 31 HD3 PRO 31 2.370 10.526 -6.030
210 H GLN 32 H GLN 32 2.646 6.714 -5.366
211 HA GLN 32 HA GLN 32 4.522 4.516 -4.797
212 HB2 GLN 32 HB2 GLN 32 1.873 5.143 -3.482
213 HB3 GLN 32 HB3 GLN 32 2.869 3.738 -3.126
214 HG2 GLN 32 HG2 GLN 32 4.607 5.104 -2.233
215 HG3 GLN 32 HG3 GLN 32 3.799 6.574 -2.776
216 HE21 GLN 32 HE21 GLN 32 4.027 7.213 -0.531
217 HE22 GLN 32 HE22 GLN 32 2.843 6.697 0.616
218 H CYS 33 H CYS 33 3.930 2.406 -5.353
219 HA CYS 33 HA CYS 33 2.170 2.241 -7.644
220 HB2 CYS 33 HB2 CYS 33 4.250 1.072 -7.834
221 HB3 CYS 33 HB3 CYS 33 3.992 0.242 -6.303
222 H LEU 34 H LEU 34 0.143 1.518 -7.639
223 HA LEU 34 HA LEU 34 -0.843 0.174 -5.209
224 HB2 LEU 34 HB2 LEU 34 -2.574 1.702 -7.122
225 HB3 LEU 34 HB3 LEU 34 -2.922 1.227 -5.462
226 HG LEU 34 HG LEU 34 -1.011 3.385 -6.349
227 HD11 LEU 34 HD11 LEU 34 -2.565 4.932 -5.514
228 HD12 LEU 34 HD12 LEU 34 -3.511 3.678 -4.712
229 HD13 LEU 34 HD13 LEU 34 -3.516 3.796 -6.471
230 HD21 LEU 34 HD21 LEU 34 -1.450 2.031 -3.746
231 HD22 LEU 34 HD22 LEU 34 -1.219 3.780 -3.732
232 HD23 LEU 34 HD23 LEU 34 0.018 2.733 -4.428
233 H CYS 35 H CYS 35 -1.353 -1.884 -5.488
234 HA CYS 35 HA CYS 35 -1.591 -3.028 -8.112
235 HB2 CYS 35 HB2 CYS 35 -2.164 -4.385 -5.476
236 HB3 CYS 35 HB3 CYS 35 -1.721 -5.144 -7.002
237 H ARG 36 H ARG 36 -3.406 -4.158 -8.940
238 HA ARG 36 HA ARG 36 -5.827 -2.821 -8.811
239 HB2 ARG 36 HB2 ARG 36 -5.377 -5.718 -9.554
240 HB3 ARG 36 HB3 ARG 36 -6.791 -4.759 -9.969
241 HG2 ARG 36 HG2 ARG 36 -4.915 -3.191 -11.026
242 HG3 ARG 36 HG3 ARG 36 -4.074 -4.739 -11.130
243 HD2 ARG 36 HD2 ARG 36 -6.720 -3.976 -12.338
244 HD3 ARG 36 HD3 ARG 36 -5.246 -4.466 -13.171
245 HE ARG 36 HE ARG 36 -7.224 -6.186 -11.984
246 HH11 ARG 36 HH11 ARG 36 -3.920 -5.902 -13.041
247 HH12 ARG 36 HH12 ARG 36 -3.707 -7.608 -13.260
248 HH21 ARG 36 HH21 ARG 36 -6.956 -8.434 -12.268
249 HH22 ARG 36 HH22 ARG 36 -5.435 -9.046 -12.822
Start of MODEL 17
1 H MET 1 H MET 1 0.800 0.657 0.194
2 HA MET 1 HA MET 1 1.627 -0.017 -2.220
3 HB2 MET 1 HB2 MET 1 3.541 1.573 -2.011
4 HB3 MET 1 HB3 MET 1 2.015 2.210 -1.410
5 HG2 MET 1 HG2 MET 1 2.763 1.546 0.891
6 HG3 MET 1 HG3 MET 1 4.344 1.198 0.194
7 HE1 MET 1 HE1 MET 1 6.088 4.385 -0.147
8 HE2 MET 1 HE2 MET 1 6.042 2.625 -0.244
9 HE3 MET 1 HE3 MET 1 5.419 3.599 -1.577
10 H CYS 2 H CYS 2 2.658 -1.711 -3.027
11 HA CYS 2 HA CYS 2 4.375 -3.366 -1.468
12 HB2 CYS 2 HB2 CYS 2 2.909 -4.128 -3.383
13 HB3 CYS 2 HB3 CYS 2 4.080 -3.392 -4.474
14 H MET 3 H MET 3 4.880 -0.846 -3.863
15 HA MET 3 HA MET 3 7.581 -0.464 -2.985
16 HB2 MET 3 HB2 MET 3 8.762 -1.059 -4.924
17 HB3 MET 3 HB3 MET 3 7.662 -2.405 -4.657
18 HG2 MET 3 HG2 MET 3 6.150 -1.517 -6.345
19 HG3 MET 3 HG3 MET 3 7.231 -0.149 -6.601
20 HE1 MET 3 HE1 MET 3 10.273 -2.197 -6.577
21 HE2 MET 3 HE2 MET 3 10.301 -1.527 -8.209
22 HE3 MET 3 HE3 MET 3 9.717 -0.547 -6.863
23 HA PRO 4 HA PRO 4 6.751 3.628 -4.337
24 HB2 PRO 4 HB2 PRO 4 9.252 4.523 -4.898
25 HB3 PRO 4 HB3 PRO 4 8.675 4.254 -3.249
26 HG2 PRO 4 HG2 PRO 4 10.377 2.493 -4.970
27 HG3 PRO 4 HG3 PRO 4 10.553 2.882 -3.249
28 HD2 PRO 4 HD2 PRO 4 9.460 0.561 -4.114
29 HD3 PRO 4 HD3 PRO 4 8.949 1.356 -2.611
30 H CYS 5 H CYS 5 5.937 4.365 -6.189
31 HA CYS 5 HA CYS 5 7.065 3.385 -8.717
32 HB2 CYS 5 HB2 CYS 5 4.494 3.306 -7.894
33 HB3 CYS 5 HB3 CYS 5 4.497 4.859 -8.722
34 H PHE 6 H PHE 6 6.787 4.989 -10.584
35 HA PHE 6 HA PHE 6 7.181 7.766 -9.786
36 HB2 PHE 6 HB2 PHE 6 9.233 6.109 -11.250
37 HB3 PHE 6 HB3 PHE 6 9.216 7.868 -11.322
38 HD1 PHE 6 HD1 PHE 6 10.027 9.181 -9.528
39 HD2 PHE 6 HD2 PHE 6 9.624 4.966 -9.088
40 HE1 PHE 6 HE1 PHE 6 11.321 9.279 -7.438
41 HE2 PHE 6 HE2 PHE 6 10.917 5.057 -6.996
42 HZ PHE 6 HZ PHE 6 11.769 7.216 -6.170
43 H THR 7 H THR 7 5.971 8.995 -11.052
44 HA THR 7 HA THR 7 4.670 7.996 -13.367
45 HB THR 7 HB THR 7 3.636 9.722 -11.976
46 HG1 THR 7 HG1 THR 7 2.708 10.006 -13.871
47 HG21 THR 7 HG21 THR 7 4.517 11.787 -11.560
48 HG22 THR 7 HG22 THR 7 5.372 11.853 -13.101
49 HG23 THR 7 HG23 THR 7 6.021 10.892 -11.773
50 H THR 8 H THR 8 7.494 10.031 -12.854
51 HA THR 8 HA THR 8 7.811 10.776 -15.588
52 HB THR 8 HB THR 8 10.079 11.511 -14.915
53 HG1 THR 8 HG1 THR 8 9.478 10.846 -12.247
54 HG21 THR 8 HG21 THR 8 9.320 13.381 -13.841
55 HG22 THR 8 HG22 THR 8 8.333 12.461 -12.705
56 HG23 THR 8 HG23 THR 8 7.773 12.713 -14.358
57 H ASP 9 H ASP 9 8.625 7.986 -13.745
58 HA ASP 9 HA ASP 9 10.614 7.067 -15.662
59 HB2 ASP 9 HB2 ASP 9 9.500 5.718 -13.193
60 HB3 ASP 9 HB3 ASP 9 10.844 5.126 -14.165
61 H HIS 10 H HIS 10 10.254 5.635 -17.250
62 HA HIS 10 HA HIS 10 7.509 4.725 -17.654
63 HB2 HIS 10 HB2 HIS 10 9.002 5.888 -19.438
64 HB3 HIS 10 HB3 HIS 10 9.752 4.304 -19.608
65 HD1 HIS 10 HD1 HIS 10 6.612 6.175 -20.336
66 HD2 HIS 10 HD2 HIS 10 8.137 2.340 -20.812
67 HE1 HIS 10 HE1 HIS 10 5.028 5.012 -21.906
68 H GLN 11 H GLN 11 10.757 3.475 -17.173
69 HA GLN 11 HA GLN 11 9.960 0.732 -17.571
70 HB2 GLN 11 HB2 GLN 11 12.265 0.200 -16.886
71 HB3 GLN 11 HB3 GLN 11 12.220 1.413 -18.158
72 HG2 GLN 11 HG2 GLN 11 12.296 2.391 -15.368
73 HG3 GLN 11 HG3 GLN 11 13.758 1.634 -16.002
74 HE21 GLN 11 HE21 GLN 11 13.487 4.350 -15.240
75 HE22 GLN 11 HE22 GLN 11 13.740 5.318 -16.649
76 H MET 12 H MET 12 9.843 2.961 -15.019
77 HA MET 12 HA MET 12 10.261 1.290 -12.795
78 HB2 MET 12 HB2 MET 12 10.212 3.722 -12.601
79 HB3 MET 12 HB3 MET 12 8.516 3.744 -13.066
80 HG2 MET 12 HG2 MET 12 8.586 4.013 -10.725
81 HG3 MET 12 HG3 MET 12 8.038 2.367 -11.030
82 HE1 MET 12 HE1 MET 12 8.377 1.410 -8.926
83 HE2 MET 12 HE2 MET 12 9.309 0.219 -9.833
84 HE3 MET 12 HE3 MET 12 9.923 0.838 -8.300
85 H ALA 13 H ALA 13 7.368 2.018 -14.688
86 HA ALA 13 HA ALA 13 5.422 0.843 -13.120
87 HB1 ALA 13 HB1 ALA 13 4.365 1.776 -14.862
88 HB2 ALA 13 HB2 ALA 13 5.718 1.498 -15.958
89 HB3 ALA 13 HB3 ALA 13 4.574 0.199 -15.626
90 H ARG 14 H ARG 14 7.760 -0.675 -15.261
91 HA ARG 14 HA ARG 14 6.711 -3.216 -15.502
92 HB2 ARG 14 HB2 ARG 14 8.922 -2.147 -16.424
93 HB3 ARG 14 HB3 ARG 14 9.640 -2.867 -14.990
94 HG2 ARG 14 HG2 ARG 14 9.390 -4.990 -15.757
95 HG3 ARG 14 HG3 ARG 14 7.939 -4.603 -16.683
96 HD2 ARG 14 HD2 ARG 14 9.430 -4.891 -18.391
97 HD3 ARG 14 HD3 ARG 14 9.636 -3.164 -18.095
98 HE ARG 14 HE ARG 14 11.788 -3.597 -17.500
99 HH11 ARG 14 HH11 ARG 14 9.935 -6.519 -17.114
100 HH12 ARG 14 HH12 ARG 14 11.306 -7.486 -16.685
101 HH21 ARG 14 HH21 ARG 14 13.601 -4.862 -16.935
102 HH22 ARG 14 HH22 ARG 14 13.391 -6.543 -16.582
103 H LYS 15 H LYS 15 8.912 -2.048 -12.953
104 HA LYS 15 HA LYS 15 8.837 -4.434 -11.439
105 HB2 LYS 15 HB2 LYS 15 9.518 -1.605 -10.622
106 HB3 LYS 15 HB3 LYS 15 9.779 -3.019 -9.610
107 HG2 LYS 15 HG2 LYS 15 11.509 -3.799 -10.909
108 HG3 LYS 15 HG3 LYS 15 10.958 -2.938 -12.348
109 HD2 LYS 15 HD2 LYS 15 11.858 -1.397 -9.949
110 HD3 LYS 15 HD3 LYS 15 13.056 -2.095 -11.042
111 HE2 LYS 15 HE2 LYS 15 11.319 -0.914 -12.786
112 HE3 LYS 15 HE3 LYS 15 11.260 0.192 -11.415
113 HZ1 LYS 15 HZ1 LYS 15 13.665 0.377 -11.502
114 HZ2 LYS 15 HZ2 LYS 15 12.985 0.816 -12.987
115 HZ3 LYS 15 HZ3 LYS 15 13.729 -0.692 -12.811
116 H CYS 16 H CYS 16 6.976 -1.435 -11.289
117 HA CYS 16 HA CYS 16 5.615 -1.773 -8.921
118 HB2 CYS 16 HB2 CYS 16 5.285 0.261 -10.072
119 HB3 CYS 16 HB3 CYS 16 4.771 -0.558 -11.543
120 H ASP 17 H ASP 17 4.877 -3.175 -12.083
121 HA ASP 17 HA ASP 17 2.484 -4.469 -11.210
122 HB2 ASP 17 HB2 ASP 17 4.167 -5.175 -13.618
123 HB3 ASP 17 HB3 ASP 17 2.456 -5.514 -13.372
124 H ASP 18 H ASP 18 5.860 -5.401 -11.508
125 HA ASP 18 HA ASP 18 5.544 -8.169 -11.119
126 HB2 ASP 18 HB2 ASP 18 7.630 -6.934 -11.898
127 HB3 ASP 18 HB3 ASP 18 7.925 -6.557 -10.203
128 H CYS 19 H CYS 19 6.292 -5.580 -8.792
129 HA CYS 19 HA CYS 19 6.468 -7.115 -6.494
130 HB2 CYS 19 HB2 CYS 19 6.814 -4.545 -6.908
131 HB3 CYS 19 HB3 CYS 19 5.134 -4.435 -6.395
132 H CYS 20 H CYS 20 3.626 -5.931 -8.183
133 HA CYS 20 HA CYS 20 1.751 -6.604 -6.153
134 HB2 CYS 20 HB2 CYS 20 1.394 -6.165 -9.124
135 HB3 CYS 20 HB3 CYS 20 0.067 -6.359 -7.982
136 H GLY 21 H GLY 21 3.306 -8.378 -8.704
137 HA2 GLY 21 HA2 GLY 21 2.851 -10.892 -7.731
138 HA3 GLY 21 HA3 GLY 21 1.439 -10.560 -8.723
139 H GLY 22 H GLY 22 1.939 -9.784 -10.988
140 HA2 GLY 22 HA2 GLY 22 4.489 -10.733 -12.039
141 HA3 GLY 22 HA3 GLY 22 3.054 -11.594 -12.577
142 H LYS 23 H LYS 23 4.523 -10.495 -14.498
143 HA LYS 23 HA LYS 23 4.174 -7.848 -15.197
144 HB2 LYS 23 HB2 LYS 23 5.624 -9.342 -16.453
145 HB3 LYS 23 HB3 LYS 23 4.237 -10.277 -16.998
146 HG2 LYS 23 HG2 LYS 23 3.500 -8.569 -18.418
147 HG3 LYS 23 HG3 LYS 23 4.516 -7.358 -17.631
148 HD2 LYS 23 HD2 LYS 23 6.516 -8.522 -18.476
149 HD3 LYS 23 HD3 LYS 23 5.474 -9.683 -19.303
150 HE2 LYS 23 HE2 LYS 23 4.584 -7.975 -20.720
151 HE3 LYS 23 HE3 LYS 23 5.385 -6.710 -19.789
152 HZ1 LYS 23 HZ1 LYS 23 7.439 -7.258 -20.650
153 HZ2 LYS 23 HZ2 LYS 23 6.431 -7.489 -21.988
154 HZ3 LYS 23 HZ3 LYS 23 6.971 -8.821 -21.096
155 H GLY 24 H GLY 24 2.407 -6.663 -15.470
156 HA2 GLY 24 HA2 GLY 24 0.414 -6.183 -16.719
157 HA3 GLY 24 HA3 GLY 24 0.063 -7.905 -16.746
158 H ARG 25 H ARG 25 0.878 -7.935 -13.794
159 HA ARG 25 HA ARG 25 -1.788 -7.290 -12.804
160 HB2 ARG 25 HB2 ARG 25 0.401 -8.608 -11.218
161 HB3 ARG 25 HB3 ARG 25 -1.339 -8.720 -10.985
162 HG2 ARG 25 HG2 ARG 25 -1.168 -9.762 -13.441
163 HG3 ARG 25 HG3 ARG 25 0.430 -10.195 -12.830
164 HD2 ARG 25 HD2 ARG 25 -0.438 -11.510 -11.125
165 HD3 ARG 25 HD3 ARG 25 -2.011 -10.715 -11.180
166 HE ARG 25 HE ARG 25 -1.611 -11.997 -13.625
167 HH11 ARG 25 HH11 ARG 25 -2.042 -12.809 -10.267
168 HH12 ARG 25 HH12 ARG 25 -2.781 -14.340 -10.597
169 HH21 ARG 25 HH21 ARG 25 -2.582 -14.012 -14.073
170 HH22 ARG 25 HH22 ARG 25 -3.088 -15.024 -12.763
171 H GLY 26 H GLY 26 -2.178 -5.429 -11.812
172 HA2 GLY 26 HA2 GLY 26 -1.636 -4.040 -9.858
173 HA3 GLY 26 HA3 GLY 26 0.046 -4.135 -10.358
174 H LYS 27 H LYS 27 -0.612 -1.693 -9.955
175 HA LYS 27 HA LYS 27 -0.659 -0.500 -12.579
176 HB2 LYS 27 HB2 LYS 27 -3.109 -0.810 -11.447
177 HB3 LYS 27 HB3 LYS 27 -2.654 0.763 -10.806
178 HG2 LYS 27 HG2 LYS 27 -2.801 1.779 -12.816
179 HG3 LYS 27 HG3 LYS 27 -2.231 0.360 -13.698
180 HD2 LYS 27 HD2 LYS 27 -4.908 0.275 -12.382
181 HD3 LYS 27 HD3 LYS 27 -4.725 1.157 -13.900
182 HE2 LYS 27 HE2 LYS 27 -3.828 -0.850 -14.962
183 HE3 LYS 27 HE3 LYS 27 -3.980 -1.732 -13.443
184 HZ1 LYS 27 HZ1 LYS 27 -6.355 -1.471 -13.534
185 HZ2 LYS 27 HZ2 LYS 27 -5.822 -2.165 -14.982
186 HZ3 LYS 27 HZ3 LYS 27 -6.249 -0.528 -14.934
187 H CYS 28 H CYS 28 0.023 1.694 -12.582
188 HA CYS 28 HA CYS 28 1.428 2.451 -10.115
189 HB2 CYS 28 HB2 CYS 28 2.773 2.106 -12.202
190 HB3 CYS 28 HB3 CYS 28 1.915 3.463 -12.921
191 H TYR 29 H TYR 29 0.279 3.831 -8.928
192 HA TYR 29 HA TYR 29 -0.979 6.116 -10.297
193 HB2 TYR 29 HB2 TYR 29 -2.049 4.477 -7.999
194 HB3 TYR 29 HB3 TYR 29 -2.677 6.070 -8.407
195 HD1 TYR 29 HD1 TYR 29 -3.219 2.675 -8.822
196 HD2 TYR 29 HD2 TYR 29 -3.231 6.303 -11.045
197 HE1 TYR 29 HE1 TYR 29 -4.727 1.651 -10.474
198 HE2 TYR 29 HE2 TYR 29 -4.739 5.289 -12.702
199 HH TYR 29 HH TYR 29 -5.837 3.466 -13.320
200 H GLY 30 H GLY 30 0.291 7.803 -9.846
201 HA2 GLY 30 HA2 GLY 30 1.181 9.499 -8.548
202 HA3 GLY 30 HA3 GLY 30 0.585 8.664 -7.120
203 HA PRO 31 HA PRO 31 5.178 8.386 -6.989
204 HB2 PRO 31 HB2 PRO 31 5.337 8.750 -4.304
205 HB3 PRO 31 HB3 PRO 31 5.257 10.092 -5.452
206 HG2 PRO 31 HG2 PRO 31 3.075 8.879 -3.799
207 HG3 PRO 31 HG3 PRO 31 3.419 10.590 -4.117
208 HD2 PRO 31 HD2 PRO 31 1.483 9.225 -5.428
209 HD3 PRO 31 HD3 PRO 31 2.405 10.539 -6.186
210 H GLN 32 H GLN 32 2.571 6.754 -5.392
211 HA GLN 32 HA GLN 32 4.368 4.534 -4.681
212 HB2 GLN 32 HB2 GLN 32 1.611 5.162 -3.611
213 HB3 GLN 32 HB3 GLN 32 2.620 3.811 -3.112
214 HG2 GLN 32 HG2 GLN 32 4.129 5.184 -2.002
215 HG3 GLN 32 HG3 GLN 32 3.596 6.627 -2.863
216 HE21 GLN 32 HE21 GLN 32 3.808 6.869 -0.242
217 HE22 GLN 32 HE22 GLN 32 2.262 6.881 0.528
218 H CYS 33 H CYS 33 3.755 2.401 -5.188
219 HA CYS 33 HA CYS 33 2.141 2.216 -7.604
220 HB2 CYS 33 HB2 CYS 33 4.260 1.111 -7.726
221 HB3 CYS 33 HB3 CYS 33 3.978 0.268 -6.206
222 H LEU 34 H LEU 34 0.067 1.695 -7.525
223 HA LEU 34 HA LEU 34 -0.940 0.233 -5.181
224 HB2 LEU 34 HB2 LEU 34 -2.627 1.717 -7.169
225 HB3 LEU 34 HB3 LEU 34 -3.038 1.230 -5.526
226 HG LEU 34 HG LEU 34 -1.116 3.419 -6.309
227 HD11 LEU 34 HD11 LEU 34 -3.634 3.770 -6.587
228 HD12 LEU 34 HD12 LEU 34 -2.741 4.953 -5.630
229 HD13 LEU 34 HD13 LEU 34 -3.706 3.715 -4.825
230 HD21 LEU 34 HD21 LEU 34 -1.911 3.465 -3.568
231 HD22 LEU 34 HD22 LEU 34 -0.290 3.339 -4.253
232 HD23 LEU 34 HD23 LEU 34 -1.234 1.880 -3.947
233 H CYS 35 H CYS 35 -1.435 -1.831 -5.449
234 HA CYS 35 HA CYS 35 -1.577 -2.990 -8.085
235 HB2 CYS 35 HB2 CYS 35 -2.080 -4.345 -5.432
236 HB3 CYS 35 HB3 CYS 35 -1.669 -5.116 -6.960
237 H ARG 36 H ARG 36 -3.347 -4.165 -8.933
238 HA ARG 36 HA ARG 36 -5.903 -2.983 -8.295
239 HB2 ARG 36 HB2 ARG 36 -6.723 -4.211 -10.246
240 HB3 ARG 36 HB3 ARG 36 -5.254 -3.324 -10.632
241 HG2 ARG 36 HG2 ARG 36 -3.978 -5.246 -10.794
242 HG3 ARG 36 HG3 ARG 36 -5.106 -6.196 -9.825
243 HD2 ARG 36 HD2 ARG 36 -5.803 -5.089 -12.535
244 HD3 ARG 36 HD3 ARG 36 -5.078 -6.680 -12.309
245 HE ARG 36 HE ARG 36 -7.799 -5.930 -11.800
246 HH11 ARG 36 HH11 ARG 36 -5.247 -8.140 -10.950
247 HH12 ARG 36 HH12 ARG 36 -6.326 -9.383 -10.409
248 HH21 ARG 36 HH21 ARG 36 -9.229 -7.560 -11.092
249 HH22 ARG 36 HH22 ARG 36 -8.591 -9.053 -10.492
Start of MODEL 18
1 H MET 1 H MET 1 1.327 0.249 0.579
2 HA MET 1 HA MET 1 1.608 -0.132 -2.285
3 HB2 MET 1 HB2 MET 1 1.929 2.107 -1.524
4 HB3 MET 1 HB3 MET 1 3.063 1.592 -0.282
5 HG2 MET 1 HG2 MET 1 3.838 0.892 -3.021
6 HG3 MET 1 HG3 MET 1 3.756 2.620 -2.689
7 HE1 MET 1 HE1 MET 1 5.489 3.904 -1.018
8 HE2 MET 1 HE2 MET 1 4.469 3.042 0.136
9 HE3 MET 1 HE3 MET 1 6.224 3.002 0.309
10 H CYS 2 H CYS 2 2.721 -1.780 -3.079
11 HA CYS 2 HA CYS 2 4.459 -3.374 -1.469
12 HB2 CYS 2 HB2 CYS 2 3.037 -4.222 -3.373
13 HB3 CYS 2 HB3 CYS 2 4.172 -3.449 -4.476
14 H MET 3 H MET 3 4.907 -0.883 -3.907
15 HA MET 3 HA MET 3 7.600 -0.427 -3.018
16 HB2 MET 3 HB2 MET 3 8.778 -0.961 -4.986
17 HB3 MET 3 HB3 MET 3 7.740 -2.349 -4.691
18 HG2 MET 3 HG2 MET 3 6.160 -1.537 -6.355
19 HG3 MET 3 HG3 MET 3 7.175 -0.125 -6.637
20 HE1 MET 3 HE1 MET 3 9.682 -0.500 -6.776
21 HE2 MET 3 HE2 MET 3 10.365 -2.125 -6.826
22 HE3 MET 3 HE3 MET 3 10.196 -1.193 -8.315
23 HA PRO 4 HA PRO 4 6.659 3.655 -4.330
24 HB2 PRO 4 HB2 PRO 4 9.137 4.619 -4.878
25 HB3 PRO 4 HB3 PRO 4 8.565 4.319 -3.232
26 HG2 PRO 4 HG2 PRO 4 10.314 2.620 -4.969
27 HG3 PRO 4 HG3 PRO 4 10.479 2.998 -3.244
28 HD2 PRO 4 HD2 PRO 4 9.446 0.657 -4.131
29 HD3 PRO 4 HD3 PRO 4 8.914 1.424 -2.622
30 H CYS 5 H CYS 5 5.829 4.386 -6.175
31 HA CYS 5 HA CYS 5 7.008 3.481 -8.711
32 HB2 CYS 5 HB2 CYS 5 4.432 3.274 -7.887
33 HB3 CYS 5 HB3 CYS 5 4.370 4.811 -8.744
34 H PHE 6 H PHE 6 6.681 5.082 -10.558
35 HA PHE 6 HA PHE 6 6.889 7.871 -9.733
36 HB2 PHE 6 HB2 PHE 6 9.061 6.369 -11.193
37 HB3 PHE 6 HB3 PHE 6 8.944 8.125 -11.204
38 HD1 PHE 6 HD1 PHE 6 9.671 9.414 -9.363
39 HD2 PHE 6 HD2 PHE 6 9.458 5.174 -9.052
40 HE1 PHE 6 HE1 PHE 6 10.922 9.509 -7.247
41 HE2 PHE 6 HE2 PHE 6 10.708 5.263 -6.935
42 HZ PHE 6 HZ PHE 6 11.441 7.433 -6.029
43 H THR 7 H THR 7 6.289 9.334 -11.303
44 HA THR 7 HA THR 7 4.801 8.222 -13.527
45 HB THR 7 HB THR 7 3.978 10.486 -13.894
46 HG1 THR 7 HG1 THR 7 5.136 12.121 -13.241
47 HG21 THR 7 HG21 THR 7 2.818 10.823 -11.789
48 HG22 THR 7 HG22 THR 7 4.007 9.830 -10.945
49 HG23 THR 7 HG23 THR 7 2.931 9.098 -12.136
50 H THR 8 H THR 8 7.683 10.163 -12.992
51 HA THR 8 HA THR 8 8.092 10.827 -15.737
52 HB THR 8 HB THR 8 9.091 12.232 -14.051
53 HG1 THR 8 HG1 THR 8 10.276 12.001 -16.006
54 HG21 THR 8 HG21 THR 8 9.769 9.755 -12.828
55 HG22 THR 8 HG22 THR 8 9.958 11.386 -12.183
56 HG23 THR 8 HG23 THR 8 11.260 10.650 -13.117
57 H ASP 9 H ASP 9 8.787 8.073 -13.785
58 HA ASP 9 HA ASP 9 10.795 7.035 -15.611
59 HB2 ASP 9 HB2 ASP 9 9.563 5.939 -13.080
60 HB3 ASP 9 HB3 ASP 9 10.723 5.040 -14.054
61 H HIS 10 H HIS 10 10.438 5.611 -17.201
62 HA HIS 10 HA HIS 10 7.683 4.775 -17.686
63 HB2 HIS 10 HB2 HIS 10 10.143 4.998 -19.385
64 HB3 HIS 10 HB3 HIS 10 8.819 3.958 -19.902
65 HD1 HIS 10 HD1 HIS 10 8.185 7.226 -18.171
66 HD2 HIS 10 HD2 HIS 10 8.067 5.618 -22.000
67 HE1 HIS 10 HE1 HIS 10 7.023 8.948 -19.587
68 H GLN 11 H GLN 11 10.873 3.440 -17.076
69 HA GLN 11 HA GLN 11 10.018 0.716 -17.483
70 HB2 GLN 11 HB2 GLN 11 12.275 0.121 -16.738
71 HB3 GLN 11 HB3 GLN 11 12.323 1.366 -17.978
72 HG2 GLN 11 HG2 GLN 11 12.314 2.257 -15.155
73 HG3 GLN 11 HG3 GLN 11 13.779 1.491 -15.767
74 HE21 GLN 11 HE21 GLN 11 14.039 3.997 -14.980
75 HE22 GLN 11 HE22 GLN 11 14.165 5.081 -16.320
76 H MET 12 H MET 12 9.861 2.969 -14.956
77 HA MET 12 HA MET 12 10.157 1.327 -12.698
78 HB2 MET 12 HB2 MET 12 10.119 3.759 -12.534
79 HB3 MET 12 HB3 MET 12 8.448 3.791 -13.080
80 HG2 MET 12 HG2 MET 12 8.344 4.077 -10.765
81 HG3 MET 12 HG3 MET 12 7.904 2.393 -11.041
82 HE1 MET 12 HE1 MET 12 8.184 1.252 -9.242
83 HE2 MET 12 HE2 MET 12 9.557 0.264 -9.740
84 HE3 MET 12 HE3 MET 12 9.578 1.080 -8.176
85 H ALA 13 H ALA 13 7.347 2.055 -14.716
86 HA ALA 13 HA ALA 13 5.334 0.906 -13.212
87 HB1 ALA 13 HB1 ALA 13 4.350 0.347 -15.559
88 HB2 ALA 13 HB2 ALA 13 4.572 2.029 -15.075
89 HB3 ALA 13 HB3 ALA 13 5.740 1.259 -16.149
90 H ARG 14 H ARG 14 7.735 -0.641 -15.261
91 HA ARG 14 HA ARG 14 6.657 -3.182 -15.493
92 HB2 ARG 14 HB2 ARG 14 8.911 -2.090 -16.373
93 HB3 ARG 14 HB3 ARG 14 9.581 -2.924 -14.977
94 HG2 ARG 14 HG2 ARG 14 7.834 -4.433 -16.856
95 HG3 ARG 14 HG3 ARG 14 9.499 -4.077 -17.322
96 HD2 ARG 14 HD2 ARG 14 9.833 -6.069 -16.269
97 HD3 ARG 14 HD3 ARG 14 9.983 -4.989 -14.884
98 HE ARG 14 HE ARG 14 7.359 -5.578 -14.877
99 HH11 ARG 14 HH11 ARG 14 10.213 -7.563 -15.075
100 HH12 ARG 14 HH12 ARG 14 9.483 -8.920 -14.282
101 HH21 ARG 14 HH21 ARG 14 6.387 -7.356 -13.831
102 HH22 ARG 14 HH22 ARG 14 7.306 -8.801 -13.576
103 H LYS 15 H LYS 15 8.962 -2.070 -13.005
104 HA LYS 15 HA LYS 15 8.873 -4.402 -11.451
105 HB2 LYS 15 HB2 LYS 15 9.475 -1.557 -10.619
106 HB3 LYS 15 HB3 LYS 15 9.801 -2.981 -9.638
107 HG2 LYS 15 HG2 LYS 15 11.493 -3.723 -11.060
108 HG3 LYS 15 HG3 LYS 15 10.952 -2.693 -12.389
109 HD2 LYS 15 HD2 LYS 15 11.920 -1.509 -9.809
110 HD3 LYS 15 HD3 LYS 15 13.057 -2.001 -11.066
111 HE2 LYS 15 HE2 LYS 15 11.329 -0.584 -12.550
112 HE3 LYS 15 HE3 LYS 15 11.133 0.245 -11.007
113 HZ1 LYS 15 HZ1 LYS 15 12.983 0.938 -12.721
114 HZ2 LYS 15 HZ2 LYS 15 13.856 -0.278 -11.935
115 HZ3 LYS 15 HZ3 LYS 15 13.249 1.031 -11.053
116 H CYS 16 H CYS 16 6.953 -1.437 -11.322
117 HA CYS 16 HA CYS 16 5.589 -1.796 -8.956
118 HB2 CYS 16 HB2 CYS 16 5.241 0.231 -10.128
119 HB3 CYS 16 HB3 CYS 16 4.716 -0.609 -11.584
120 H ASP 17 H ASP 17 4.937 -3.254 -12.106
121 HA ASP 17 HA ASP 17 2.544 -4.574 -11.253
122 HB2 ASP 17 HB2 ASP 17 4.252 -5.301 -13.634
123 HB3 ASP 17 HB3 ASP 17 2.532 -5.603 -13.409
124 H ASP 18 H ASP 18 5.941 -5.442 -11.504
125 HA ASP 18 HA ASP 18 5.663 -8.214 -11.093
126 HB2 ASP 18 HB2 ASP 18 7.741 -6.702 -11.767
127 HB3 ASP 18 HB3 ASP 18 8.062 -6.790 -10.038
128 H CYS 19 H CYS 19 6.390 -5.590 -8.798
129 HA CYS 19 HA CYS 19 6.579 -7.096 -6.482
130 HB2 CYS 19 HB2 CYS 19 6.888 -4.519 -6.942
131 HB3 CYS 19 HB3 CYS 19 5.219 -4.434 -6.388
132 H CYS 20 H CYS 20 3.727 -5.952 -8.181
133 HA CYS 20 HA CYS 20 1.864 -6.629 -6.136
134 HB2 CYS 20 HB2 CYS 20 1.511 -6.153 -9.100
135 HB3 CYS 20 HB3 CYS 20 0.175 -6.408 -7.982
136 H GLY 21 H GLY 21 3.416 -8.388 -8.699
137 HA2 GLY 21 HA2 GLY 21 3.014 -10.907 -7.752
138 HA3 GLY 21 HA3 GLY 21 1.555 -10.587 -8.679
139 H GLY 22 H GLY 22 1.926 -9.817 -10.959
140 HA2 GLY 22 HA2 GLY 22 4.440 -10.763 -12.120
141 HA3 GLY 22 HA3 GLY 22 2.963 -11.568 -12.630
142 H LYS 23 H LYS 23 4.402 -10.455 -14.570
143 HA LYS 23 HA LYS 23 4.076 -7.775 -15.176
144 HB2 LYS 23 HB2 LYS 23 5.454 -9.432 -16.454
145 HB3 LYS 23 HB3 LYS 23 3.967 -10.046 -17.167
146 HG2 LYS 23 HG2 LYS 23 4.656 -8.610 -18.800
147 HG3 LYS 23 HG3 LYS 23 3.624 -7.539 -17.849
148 HD2 LYS 23 HD2 LYS 23 5.580 -6.300 -18.233
149 HD3 LYS 23 HD3 LYS 23 5.749 -6.902 -16.582
150 HE2 LYS 23 HE2 LYS 23 7.838 -7.298 -17.542
151 HE3 LYS 23 HE3 LYS 23 7.026 -8.860 -17.637
152 HZ1 LYS 23 HZ1 LYS 23 6.329 -7.734 -19.968
153 HZ2 LYS 23 HZ2 LYS 23 7.649 -8.772 -19.770
154 HZ3 LYS 23 HZ3 LYS 23 7.882 -7.097 -19.759
155 H GLY 24 H GLY 24 2.312 -6.573 -15.373
156 HA2 GLY 24 HA2 GLY 24 0.302 -6.037 -16.571
157 HA3 GLY 24 HA3 GLY 24 -0.058 -7.754 -16.659
158 H ARG 25 H ARG 25 0.800 -7.899 -13.722
159 HA ARG 25 HA ARG 25 -1.854 -7.353 -12.670
160 HB2 ARG 25 HB2 ARG 25 0.451 -8.562 -11.155
161 HB3 ARG 25 HB3 ARG 25 -1.269 -8.736 -10.838
162 HG2 ARG 25 HG2 ARG 25 -1.201 -9.795 -13.280
163 HG3 ARG 25 HG3 ARG 25 0.456 -10.142 -12.781
164 HD2 ARG 25 HD2 ARG 25 -0.198 -11.566 -11.113
165 HD3 ARG 25 HD3 ARG 25 -1.744 -10.751 -10.877
166 HE ARG 25 HE ARG 25 -2.669 -12.205 -12.367
167 HH11 ARG 25 HH11 ARG 25 0.774 -12.146 -12.870
168 HH12 ARG 25 HH12 ARG 25 0.756 -13.415 -14.049
169 HH21 ARG 25 HH21 ARG 25 -2.708 -13.878 -13.918
170 HH22 ARG 25 HH22 ARG 25 -1.226 -14.399 -14.645
171 H GLY 26 H GLY 26 -2.328 -5.511 -11.681
172 HA2 GLY 26 HA2 GLY 26 -1.906 -4.041 -9.794
173 HA3 GLY 26 HA3 GLY 26 -0.193 -4.146 -10.169
174 H LYS 27 H LYS 27 -0.759 -1.705 -9.892
175 HA LYS 27 HA LYS 27 -0.710 -0.579 -12.547
176 HB2 LYS 27 HB2 LYS 27 -3.191 -0.794 -11.555
177 HB3 LYS 27 HB3 LYS 27 -2.726 0.722 -10.795
178 HG2 LYS 27 HG2 LYS 27 -2.769 1.866 -12.733
179 HG3 LYS 27 HG3 LYS 27 -2.151 0.508 -13.675
180 HD2 LYS 27 HD2 LYS 27 -4.904 0.350 -12.538
181 HD3 LYS 27 HD3 LYS 27 -4.625 1.338 -13.974
182 HE2 LYS 27 HE2 LYS 27 -3.536 -0.670 -15.016
183 HE3 LYS 27 HE3 LYS 27 -4.096 -1.609 -13.635
184 HZ1 LYS 27 HZ1 LYS 27 -6.285 -1.399 -14.267
185 HZ2 LYS 27 HZ2 LYS 27 -5.518 -1.522 -15.768
186 HZ3 LYS 27 HZ3 LYS 27 -6.013 -0.010 -15.194
187 H CYS 28 H CYS 28 -0.037 1.643 -12.569
188 HA CYS 28 HA CYS 28 1.386 2.391 -10.106
189 HB2 CYS 28 HB2 CYS 28 2.762 1.997 -12.145
190 HB3 CYS 28 HB3 CYS 28 1.910 3.318 -12.937
191 H TYR 29 H TYR 29 0.256 3.809 -8.946
192 HA TYR 29 HA TYR 29 -0.945 6.101 -10.353
193 HB2 TYR 29 HB2 TYR 29 -2.065 4.512 -8.045
194 HB3 TYR 29 HB3 TYR 29 -2.654 6.115 -8.471
195 HD1 TYR 29 HD1 TYR 29 -3.181 2.693 -8.917
196 HD2 TYR 29 HD2 TYR 29 -3.276 6.370 -11.055
197 HE1 TYR 29 HE1 TYR 29 -4.702 1.687 -10.568
198 HE2 TYR 29 HE2 TYR 29 -4.798 5.375 -12.711
199 HH TYR 29 HH TYR 29 -6.300 2.313 -12.222
200 H GLY 30 H GLY 30 0.424 7.727 -9.931
201 HA2 GLY 30 HA2 GLY 30 1.348 9.424 -8.659
202 HA3 GLY 30 HA3 GLY 30 0.680 8.660 -7.224
203 HA PRO 31 HA PRO 31 5.261 8.193 -6.995
204 HB2 PRO 31 HB2 PRO 31 5.400 8.712 -4.335
205 HB3 PRO 31 HB3 PRO 31 5.405 9.983 -5.563
206 HG2 PRO 31 HG2 PRO 31 3.141 8.986 -3.878
207 HG3 PRO 31 HG3 PRO 31 3.577 10.654 -4.292
208 HD2 PRO 31 HD2 PRO 31 1.591 9.311 -5.553
209 HD3 PRO 31 HD3 PRO 31 2.590 10.528 -6.372
210 H GLN 32 H GLN 32 2.534 6.689 -5.597
211 HA GLN 32 HA GLN 32 4.210 4.473 -4.618
212 HB2 GLN 32 HB2 GLN 32 1.482 5.364 -3.675
213 HB3 GLN 32 HB3 GLN 32 2.282 3.893 -3.142
214 HG2 GLN 32 HG2 GLN 32 4.079 5.184 -2.166
215 HG3 GLN 32 HG3 GLN 32 3.359 6.677 -2.768
216 HE21 GLN 32 HE21 GLN 32 3.975 5.729 -0.027
217 HE22 GLN 32 HE22 GLN 32 2.491 5.870 0.844
218 H CYS 33 H CYS 33 3.793 2.433 -5.323
219 HA CYS 33 HA CYS 33 2.129 2.182 -7.670
220 HB2 CYS 33 HB2 CYS 33 4.249 1.081 -7.762
221 HB3 CYS 33 HB3 CYS 33 3.960 0.262 -6.229
222 H LEU 34 H LEU 34 0.044 1.710 -7.574
223 HA LEU 34 HA LEU 34 -0.977 0.249 -5.237
224 HB2 LEU 34 HB2 LEU 34 -2.628 1.751 -7.245
225 HB3 LEU 34 HB3 LEU 34 -3.082 1.238 -5.621
226 HG LEU 34 HG LEU 34 -1.128 3.431 -6.316
227 HD11 LEU 34 HD11 LEU 34 -3.652 3.780 -6.648
228 HD12 LEU 34 HD12 LEU 34 -2.762 4.965 -5.693
229 HD13 LEU 34 HD13 LEU 34 -3.743 3.741 -4.887
230 HD21 LEU 34 HD21 LEU 34 -0.522 2.213 -4.263
231 HD22 LEU 34 HD22 LEU 34 -2.135 2.525 -3.620
232 HD23 LEU 34 HD23 LEU 34 -1.036 3.868 -3.937
233 H CYS 35 H CYS 35 -1.315 -1.843 -5.538
234 HA CYS 35 HA CYS 35 -1.456 -3.026 -8.134
235 HB2 CYS 35 HB2 CYS 35 -2.113 -4.304 -5.473
236 HB3 CYS 35 HB3 CYS 35 -1.684 -5.131 -6.967
237 H ARG 36 H ARG 36 -3.206 -2.626 -9.348
238 HA ARG 36 HA ARG 36 -5.760 -2.001 -8.514
239 HB2 ARG 36 HB2 ARG 36 -6.505 -2.577 -10.751
240 HB3 ARG 36 HB3 ARG 36 -4.949 -1.762 -10.833
241 HG2 ARG 36 HG2 ARG 36 -3.814 -3.727 -11.379
242 HG3 ARG 36 HG3 ARG 36 -5.146 -4.751 -10.840
243 HD2 ARG 36 HD2 ARG 36 -5.585 -2.824 -13.075
244 HD3 ARG 36 HD3 ARG 36 -4.732 -4.334 -13.392
245 HE ARG 36 HE ARG 36 -7.537 -4.005 -12.853
246 HH11 ARG 36 HH11 ARG 36 -4.840 -6.204 -12.761
247 HH12 ARG 36 HH12 ARG 36 -5.828 -7.625 -12.838
248 HH21 ARG 36 HH21 ARG 36 -8.849 -5.868 -12.955
249 HH22 ARG 36 HH22 ARG 36 -8.108 -7.433 -12.950
Start of MODEL 19
1 H MET 1 H MET 1 1.885 -0.056 0.973
2 HA MET 1 HA MET 1 1.422 -0.168 -1.918
3 HB2 MET 1 HB2 MET 1 3.300 1.400 -2.298
4 HB3 MET 1 HB3 MET 1 1.938 2.155 -1.481
5 HG2 MET 1 HG2 MET 1 3.556 2.968 -0.153
6 HG3 MET 1 HG3 MET 1 3.370 1.411 0.652
7 HE1 MET 1 HE1 MET 1 6.374 3.183 0.793
8 HE2 MET 1 HE2 MET 1 7.071 3.194 -0.827
9 HE3 MET 1 HE3 MET 1 5.479 3.900 -0.548
10 H CYS 2 H CYS 2 2.736 -1.549 -2.990
11 HA CYS 2 HA CYS 2 4.410 -3.288 -1.416
12 HB2 CYS 2 HB2 CYS 2 2.897 -4.045 -3.302
13 HB3 CYS 2 HB3 CYS 2 4.051 -3.316 -4.414
14 H MET 3 H MET 3 4.853 -0.767 -3.821
15 HA MET 3 HA MET 3 7.566 -0.362 -3.004
16 HB2 MET 3 HB2 MET 3 8.720 -0.976 -4.957
17 HB3 MET 3 HB3 MET 3 7.640 -2.328 -4.643
18 HG2 MET 3 HG2 MET 3 6.089 -1.499 -6.321
19 HG3 MET 3 HG3 MET 3 7.136 -0.113 -6.617
20 HE1 MET 3 HE1 MET 3 10.215 -2.069 -6.609
21 HE2 MET 3 HE2 MET 3 10.206 -1.466 -8.267
22 HE3 MET 3 HE3 MET 3 9.619 -0.444 -6.953
23 HA PRO 4 HA PRO 4 6.684 3.703 -4.406
24 HB2 PRO 4 HB2 PRO 4 9.171 4.607 -5.013
25 HB3 PRO 4 HB3 PRO 4 8.618 4.358 -3.353
26 HG2 PRO 4 HG2 PRO 4 10.310 2.585 -5.071
27 HG3 PRO 4 HG3 PRO 4 10.506 3.002 -3.359
28 HD2 PRO 4 HD2 PRO 4 9.419 0.659 -4.173
29 HD3 PRO 4 HD3 PRO 4 8.922 1.473 -2.676
30 H CYS 5 H CYS 5 5.839 4.404 -6.257
31 HA CYS 5 HA CYS 5 6.963 3.414 -8.786
32 HB2 CYS 5 HB2 CYS 5 4.407 3.245 -7.939
33 HB3 CYS 5 HB3 CYS 5 4.340 4.795 -8.772
34 H PHE 6 H PHE 6 6.661 4.970 -10.667
35 HA PHE 6 HA PHE 6 6.919 7.777 -9.921
36 HB2 PHE 6 HB2 PHE 6 9.061 6.201 -11.349
37 HB3 PHE 6 HB3 PHE 6 8.975 7.958 -11.397
38 HD1 PHE 6 HD1 PHE 6 9.663 9.281 -9.548
39 HD2 PHE 6 HD2 PHE 6 9.511 5.039 -9.223
40 HE1 PHE 6 HE1 PHE 6 10.921 9.400 -7.436
41 HE2 PHE 6 HE2 PHE 6 10.769 5.152 -7.111
42 HZ PHE 6 HZ PHE 6 11.476 7.335 -6.216
43 H THR 7 H THR 7 5.652 8.909 -11.219
44 HA THR 7 HA THR 7 4.438 7.815 -13.530
45 HB THR 7 HB THR 7 3.416 9.981 -13.856
46 HG1 THR 7 HG1 THR 7 4.407 11.747 -13.250
47 HG21 THR 7 HG21 THR 7 3.213 10.235 -11.022
48 HG22 THR 7 HG22 THR 7 3.314 8.522 -11.429
49 HG23 THR 7 HG23 THR 7 2.058 9.527 -12.151
50 H THR 8 H THR 8 7.182 9.955 -13.031
51 HA THR 8 HA THR 8 7.502 10.648 -15.782
52 HB THR 8 HB THR 8 8.399 12.065 -13.977
53 HG1 THR 8 HG1 THR 8 10.384 12.462 -15.018
54 HG21 THR 8 HG21 THR 8 10.827 10.582 -13.488
55 HG22 THR 8 HG22 THR 8 9.413 9.657 -12.982
56 HG23 THR 8 HG23 THR 8 9.686 11.275 -12.336
57 H ASP 9 H ASP 9 8.427 7.955 -13.839
58 HA ASP 9 HA ASP 9 10.481 7.067 -15.692
59 HB2 ASP 9 HB2 ASP 9 9.343 5.676 -13.257
60 HB3 ASP 9 HB3 ASP 9 10.781 5.193 -14.152
61 H HIS 10 H HIS 10 10.222 5.596 -17.263
62 HA HIS 10 HA HIS 10 7.526 4.576 -17.729
63 HB2 HIS 10 HB2 HIS 10 9.951 4.978 -19.435
64 HB3 HIS 10 HB3 HIS 10 8.737 3.806 -19.937
65 HD1 HIS 10 HD1 HIS 10 9.595 7.203 -20.423
66 HD2 HIS 10 HD2 HIS 10 6.011 5.170 -19.890
67 HE1 HIS 10 HE1 HIS 10 7.813 8.735 -21.319
68 H GLN 11 H GLN 11 10.802 3.460 -17.129
69 HA GLN 11 HA GLN 11 10.123 0.682 -17.503
70 HB2 GLN 11 HB2 GLN 11 12.420 0.242 -16.774
71 HB3 GLN 11 HB3 GLN 11 12.376 1.476 -18.025
72 HG2 GLN 11 HG2 GLN 11 12.323 2.406 -15.219
73 HG3 GLN 11 HG3 GLN 11 13.830 1.705 -15.810
74 HE21 GLN 11 HE21 GLN 11 14.459 2.561 -18.048
75 HE22 GLN 11 HE22 GLN 11 14.341 4.271 -18.256
76 H MET 12 H MET 12 9.842 2.945 -14.996
77 HA MET 12 HA MET 12 10.253 1.327 -12.731
78 HB2 MET 12 HB2 MET 12 10.111 3.760 -12.585
79 HB3 MET 12 HB3 MET 12 8.428 3.709 -13.092
80 HG2 MET 12 HG2 MET 12 8.469 4.029 -10.742
81 HG3 MET 12 HG3 MET 12 7.922 2.383 -11.051
82 HE1 MET 12 HE1 MET 12 10.070 0.085 -9.584
83 HE2 MET 12 HE2 MET 12 9.052 0.974 -8.450
84 HE3 MET 12 HE3 MET 12 8.480 0.657 -10.088
85 H ALA 13 H ALA 13 7.368 1.965 -14.680
86 HA ALA 13 HA ALA 13 5.438 0.716 -13.155
87 HB1 ALA 13 HB1 ALA 13 4.715 0.044 -15.721
88 HB2 ALA 13 HB2 ALA 13 4.336 1.559 -14.902
89 HB3 ALA 13 HB3 ALA 13 5.748 1.454 -15.953
90 H ARG 14 H ARG 14 7.866 -0.718 -15.252
91 HA ARG 14 HA ARG 14 6.908 -3.290 -15.524
92 HB2 ARG 14 HB2 ARG 14 8.992 -2.338 -16.560
93 HB3 ARG 14 HB3 ARG 14 9.800 -2.579 -15.016
94 HG2 ARG 14 HG2 ARG 14 9.872 -4.848 -15.246
95 HG3 ARG 14 HG3 ARG 14 8.428 -4.901 -16.261
96 HD2 ARG 14 HD2 ARG 14 9.590 -4.434 -18.176
97 HD3 ARG 14 HD3 ARG 14 10.839 -3.525 -17.324
98 HE ARG 14 HE ARG 14 11.171 -6.107 -16.491
99 HH11 ARG 14 HH11 ARG 14 11.105 -4.492 -19.575
100 HH12 ARG 14 HH12 ARG 14 12.194 -5.608 -20.329
101 HH21 ARG 14 HH21 ARG 14 12.605 -7.583 -17.474
102 HH22 ARG 14 HH22 ARG 14 13.046 -7.367 -19.133
103 H LYS 15 H LYS 15 8.966 -2.031 -12.903
104 HA LYS 15 HA LYS 15 8.944 -4.435 -11.401
105 HB2 LYS 15 HB2 LYS 15 9.534 -1.586 -10.583
106 HB3 LYS 15 HB3 LYS 15 9.786 -2.982 -9.543
107 HG2 LYS 15 HG2 LYS 15 11.581 -3.738 -10.759
108 HG3 LYS 15 HG3 LYS 15 11.055 -2.931 -12.239
109 HD2 LYS 15 HD2 LYS 15 11.858 -1.322 -9.846
110 HD3 LYS 15 HD3 LYS 15 13.089 -1.993 -10.919
111 HE2 LYS 15 HE2 LYS 15 11.367 -0.890 -12.706
112 HE3 LYS 15 HE3 LYS 15 11.202 0.219 -11.346
113 HZ1 LYS 15 HZ1 LYS 15 13.886 -0.158 -11.551
114 HZ2 LYS 15 HZ2 LYS 15 13.031 1.178 -12.137
115 HZ3 LYS 15 HZ3 LYS 15 13.388 -0.116 -13.167
116 H CYS 16 H CYS 16 7.011 -1.476 -11.266
117 HA CYS 16 HA CYS 16 5.598 -1.880 -8.939
118 HB2 CYS 16 HB2 CYS 16 5.280 0.167 -10.093
119 HB3 CYS 16 HB3 CYS 16 4.765 -0.654 -11.563
120 H ASP 17 H ASP 17 5.126 -3.379 -12.081
121 HA ASP 17 HA ASP 17 2.666 -4.668 -11.362
122 HB2 ASP 17 HB2 ASP 17 4.502 -5.461 -13.622
123 HB3 ASP 17 HB3 ASP 17 2.762 -5.706 -13.501
124 H ASP 18 H ASP 18 6.069 -5.560 -11.422
125 HA ASP 18 HA ASP 18 5.741 -8.321 -10.964
126 HB2 ASP 18 HB2 ASP 18 7.856 -6.981 -11.659
127 HB3 ASP 18 HB3 ASP 18 8.098 -6.775 -9.926
128 H CYS 19 H CYS 19 6.403 -5.649 -8.705
129 HA CYS 19 HA CYS 19 6.485 -7.097 -6.347
130 HB2 CYS 19 HB2 CYS 19 6.831 -4.534 -6.859
131 HB3 CYS 19 HB3 CYS 19 5.141 -4.425 -6.374
132 H CYS 20 H CYS 20 3.712 -5.978 -8.188
133 HA CYS 20 HA CYS 20 1.770 -6.611 -6.198
134 HB2 CYS 20 HB2 CYS 20 1.542 -6.128 -9.171
135 HB3 CYS 20 HB3 CYS 20 0.154 -6.402 -8.122
136 H GLY 21 H GLY 21 3.394 -8.399 -8.694
137 HA2 GLY 21 HA2 GLY 21 2.978 -10.908 -7.769
138 HA3 GLY 21 HA3 GLY 21 1.510 -10.590 -8.681
139 H GLY 22 H GLY 22 1.864 -9.814 -10.966
140 HA2 GLY 22 HA2 GLY 22 4.352 -10.835 -12.139
141 HA3 GLY 22 HA3 GLY 22 2.831 -11.532 -12.679
142 H LYS 23 H LYS 23 4.275 -10.499 -14.614
143 HA LYS 23 HA LYS 23 4.138 -7.770 -15.135
144 HB2 LYS 23 HB2 LYS 23 5.495 -9.229 -16.497
145 HB3 LYS 23 HB3 LYS 23 4.075 -10.113 -17.041
146 HG2 LYS 23 HG2 LYS 23 4.075 -7.215 -17.574
147 HG3 LYS 23 HG3 LYS 23 5.259 -8.174 -18.463
148 HD2 LYS 23 HD2 LYS 23 2.474 -9.196 -18.333
149 HD3 LYS 23 HD3 LYS 23 2.786 -7.793 -19.359
150 HE2 LYS 23 HE2 LYS 23 4.579 -10.170 -19.546
151 HE3 LYS 23 HE3 LYS 23 2.992 -10.227 -20.313
152 HZ1 LYS 23 HZ1 LYS 23 4.242 -7.788 -20.945
153 HZ2 LYS 23 HZ2 LYS 23 3.772 -9.033 -21.987
154 HZ3 LYS 23 HZ3 LYS 23 5.314 -9.050 -21.291
155 H GLY 24 H GLY 24 2.484 -6.437 -15.448
156 HA2 GLY 24 HA2 GLY 24 0.504 -5.755 -16.569
157 HA3 GLY 24 HA3 GLY 24 0.065 -7.445 -16.765
158 H ARG 25 H ARG 25 0.847 -7.803 -13.825
159 HA ARG 25 HA ARG 25 -1.807 -7.270 -12.800
160 HB2 ARG 25 HB2 ARG 25 0.491 -8.464 -11.261
161 HB3 ARG 25 HB3 ARG 25 -1.232 -8.672 -10.978
162 HG2 ARG 25 HG2 ARG 25 -1.103 -9.688 -13.436
163 HG3 ARG 25 HG3 ARG 25 0.552 -10.014 -12.916
164 HD2 ARG 25 HD2 ARG 25 -0.395 -11.082 -10.862
165 HD3 ARG 25 HD3 ARG 25 -1.997 -10.903 -11.577
166 HE ARG 25 HE ARG 25 -0.234 -12.248 -13.349
167 HH11 ARG 25 HH11 ARG 25 -2.127 -12.700 -10.462
168 HH12 ARG 25 HH12 ARG 25 -2.336 -14.403 -10.709
169 HH21 ARG 25 HH21 ARG 25 -0.503 -14.488 -13.685
170 HH22 ARG 25 HH22 ARG 25 -1.411 -15.419 -12.542
171 H GLY 26 H GLY 26 -2.334 -5.450 -11.798
172 HA2 GLY 26 HA2 GLY 26 -1.982 -4.006 -9.875
173 HA3 GLY 26 HA3 GLY 26 -0.258 -4.075 -10.213
174 H LYS 27 H LYS 27 -0.780 -1.658 -9.933
175 HA LYS 27 HA LYS 27 -0.768 -0.497 -12.572
176 HB2 LYS 27 HB2 LYS 27 -3.233 -0.698 -11.504
177 HB3 LYS 27 HB3 LYS 27 -2.730 0.827 -10.786
178 HG2 LYS 27 HG2 LYS 27 -2.822 1.934 -12.743
179 HG3 LYS 27 HG3 LYS 27 -2.239 0.554 -13.676
180 HD2 LYS 27 HD2 LYS 27 -4.482 -0.503 -13.368
181 HD3 LYS 27 HD3 LYS 27 -5.031 1.001 -12.626
182 HE2 LYS 27 HE2 LYS 27 -3.992 0.654 -15.436
183 HE3 LYS 27 HE3 LYS 27 -5.667 0.939 -14.965
184 HZ1 LYS 27 HZ1 LYS 27 -3.436 2.827 -14.448
185 HZ2 LYS 27 HZ2 LYS 27 -5.078 3.100 -14.155
186 HZ3 LYS 27 HZ3 LYS 27 -4.516 2.954 -15.743
187 H CYS 28 H CYS 28 -0.166 1.777 -12.546
188 HA CYS 28 HA CYS 28 1.364 2.446 -10.124
189 HB2 CYS 28 HB2 CYS 28 2.643 2.127 -12.251
190 HB3 CYS 28 HB3 CYS 28 1.770 3.498 -12.930
191 H TYR 29 H TYR 29 0.271 3.814 -8.872
192 HA TYR 29 HA TYR 29 -0.997 6.145 -10.152
193 HB2 TYR 29 HB2 TYR 29 -2.027 4.444 -7.885
194 HB3 TYR 29 HB3 TYR 29 -2.627 6.071 -8.188
195 HD1 TYR 29 HD1 TYR 29 -3.086 2.653 -8.900
196 HD2 TYR 29 HD2 TYR 29 -3.458 6.518 -10.639
197 HE1 TYR 29 HE1 TYR 29 -4.678 1.752 -10.544
198 HE2 TYR 29 HE2 TYR 29 -5.052 5.628 -12.289
199 HH TYR 29 HH TYR 29 -6.564 2.681 -11.979
200 H GLY 30 H GLY 30 0.081 7.920 -9.623
201 HA2 GLY 30 HA2 GLY 30 1.072 9.543 -8.323
202 HA3 GLY 30 HA3 GLY 30 0.557 8.641 -6.905
203 HA PRO 31 HA PRO 31 5.158 8.443 -7.019
204 HB2 PRO 31 HB2 PRO 31 5.455 8.752 -4.338
205 HB3 PRO 31 HB3 PRO 31 5.297 10.117 -5.451
206 HG2 PRO 31 HG2 PRO 31 3.220 8.841 -3.713
207 HG3 PRO 31 HG3 PRO 31 3.526 10.562 -4.012
208 HD2 PRO 31 HD2 PRO 31 1.540 9.199 -5.248
209 HD3 PRO 31 HD3 PRO 31 2.406 10.541 -6.025
210 H GLN 32 H GLN 32 2.633 6.676 -5.522
211 HA GLN 32 HA GLN 32 4.502 4.509 -4.821
212 HB2 GLN 32 HB2 GLN 32 1.724 5.062 -3.762
213 HB3 GLN 32 HB3 GLN 32 2.708 3.670 -3.330
214 HG2 GLN 32 HG2 GLN 32 4.177 4.922 -2.077
215 HG3 GLN 32 HG3 GLN 32 3.786 6.419 -2.922
216 HE21 GLN 32 HE21 GLN 32 3.566 7.367 -0.826
217 HE22 GLN 32 HE22 GLN 32 2.105 7.159 0.073
218 H CYS 33 H CYS 33 3.562 2.287 -5.069
219 HA CYS 33 HA CYS 33 2.140 2.134 -7.635
220 HB2 CYS 33 HB2 CYS 33 4.256 1.042 -7.758
221 HB3 CYS 33 HB3 CYS 33 3.993 0.212 -6.228
222 H LEU 34 H LEU 34 0.051 1.679 -7.532
223 HA LEU 34 HA LEU 34 -0.962 0.152 -5.236
224 HB2 LEU 34 HB2 LEU 34 -2.614 1.701 -7.209
225 HB3 LEU 34 HB3 LEU 34 -3.074 1.140 -5.604
226 HG LEU 34 HG LEU 34 -1.142 3.368 -6.241
227 HD11 LEU 34 HD11 LEU 34 -3.672 3.703 -6.518
228 HD12 LEU 34 HD12 LEU 34 -2.783 4.859 -5.527
229 HD13 LEU 34 HD13 LEU 34 -3.738 3.591 -4.759
230 HD21 LEU 34 HD21 LEU 34 -0.416 2.184 -4.260
231 HD22 LEU 34 HD22 LEU 34 -2.047 2.249 -3.589
232 HD23 LEU 34 HD23 LEU 34 -1.120 3.736 -3.803
233 H CYS 35 H CYS 35 -1.424 -1.913 -5.550
234 HA CYS 35 HA CYS 35 -1.528 -3.044 -8.187
235 HB2 CYS 35 HB2 CYS 35 -2.171 -4.398 -5.563
236 HB3 CYS 35 HB3 CYS 35 -1.722 -5.174 -7.077
237 H ARG 36 H ARG 36 -3.288 -2.644 -9.381
238 HA ARG 36 HA ARG 36 -5.836 -2.028 -8.513
239 HB2 ARG 36 HB2 ARG 36 -6.582 -2.836 -10.786
240 HB3 ARG 36 HB3 ARG 36 -5.286 -1.647 -10.794
241 HG2 ARG 36 HG2 ARG 36 -3.992 -3.015 -11.953
242 HG3 ARG 36 HG3 ARG 36 -4.150 -4.263 -10.715
243 HD2 ARG 36 HD2 ARG 36 -5.912 -5.294 -11.790
244 HD3 ARG 36 HD3 ARG 36 -6.374 -3.829 -12.657
245 HE ARG 36 HE ARG 36 -3.947 -4.412 -13.691
246 HH11 ARG 36 HH11 ARG 36 -6.856 -6.269 -13.236
247 HH12 ARG 36 HH12 ARG 36 -6.578 -7.285 -14.612
248 HH21 ARG 36 HH21 ARG 36 -3.572 -5.743 -15.506
249 HH22 ARG 36 HH22 ARG 36 -4.710 -6.985 -15.902
Start of MODEL 20
1 H MET 1 H MET 1 1.750 -0.552 1.029
2 HA MET 1 HA MET 1 1.386 -0.147 -1.769
3 HB2 MET 1 HB2 MET 1 3.300 1.383 -2.109
4 HB3 MET 1 HB3 MET 1 1.977 2.140 -1.233
5 HG2 MET 1 HG2 MET 1 3.653 2.844 0.090
6 HG3 MET 1 HG3 MET 1 3.410 1.270 0.842
7 HE1 MET 1 HE1 MET 1 6.323 3.111 0.873
8 HE2 MET 1 HE2 MET 1 7.218 2.884 -0.631
9 HE3 MET 1 HE3 MET 1 5.651 3.697 -0.649
10 H CYS 2 H CYS 2 2.681 -1.483 -2.935
11 HA CYS 2 HA CYS 2 4.309 -3.351 -1.457
12 HB2 CYS 2 HB2 CYS 2 2.737 -3.907 -3.410
13 HB3 CYS 2 HB3 CYS 2 4.000 -3.262 -4.452
14 H MET 3 H MET 3 4.796 -0.727 -3.739
15 HA MET 3 HA MET 3 7.500 -0.376 -2.923
16 HB2 MET 3 HB2 MET 3 8.682 -1.011 -4.855
17 HB3 MET 3 HB3 MET 3 7.592 -2.355 -4.540
18 HG2 MET 3 HG2 MET 3 6.072 -1.554 -6.251
19 HG3 MET 3 HG3 MET 3 7.113 -0.163 -6.544
20 HE1 MET 3 HE1 MET 3 9.608 -0.601 -6.581
21 HE2 MET 3 HE2 MET 3 10.336 -2.185 -6.843
22 HE3 MET 3 HE3 MET 3 10.031 -1.116 -8.213
23 HA PRO 4 HA PRO 4 6.689 3.686 -4.376
24 HB2 PRO 4 HB2 PRO 4 9.195 4.556 -4.953
25 HB3 PRO 4 HB3 PRO 4 8.614 4.329 -3.299
26 HG2 PRO 4 HG2 PRO 4 10.312 2.521 -4.976
27 HG3 PRO 4 HG3 PRO 4 10.487 2.951 -3.265
28 HD2 PRO 4 HD2 PRO 4 9.386 0.613 -4.075
29 HD3 PRO 4 HD3 PRO 4 8.875 1.447 -2.592
30 H CYS 5 H CYS 5 5.879 4.377 -6.247
31 HA CYS 5 HA CYS 5 7.010 3.335 -8.749
32 HB2 CYS 5 HB2 CYS 5 4.453 3.233 -7.955
33 HB3 CYS 5 HB3 CYS 5 4.430 4.809 -8.741
34 H PHE 6 H PHE 6 6.748 4.892 -10.653
35 HA PHE 6 HA PHE 6 7.138 7.688 -9.923
36 HB2 PHE 6 HB2 PHE 6 9.197 5.991 -11.329
37 HB3 PHE 6 HB3 PHE 6 9.180 7.747 -11.457
38 HD1 PHE 6 HD1 PHE 6 10.026 9.107 -9.730
39 HD2 PHE 6 HD2 PHE 6 9.533 4.927 -9.102
40 HE1 PHE 6 HE1 PHE 6 11.311 9.274 -7.638
41 HE2 PHE 6 HE2 PHE 6 10.816 5.087 -7.009
42 HZ PHE 6 HZ PHE 6 11.707 7.262 -6.274
43 H THR 7 H THR 7 6.053 8.953 -11.275
44 HA THR 7 HA THR 7 4.737 7.872 -13.569
45 HB THR 7 HB THR 7 3.893 10.173 -13.917
46 HG1 THR 7 HG1 THR 7 5.083 11.729 -13.131
47 HG21 THR 7 HG21 THR 7 3.725 8.928 -11.190
48 HG22 THR 7 HG22 THR 7 2.534 8.909 -12.491
49 HG23 THR 7 HG23 THR 7 2.827 10.393 -11.584
50 H THR 8 H THR 8 7.545 9.916 -13.038
51 HA THR 8 HA THR 8 7.892 10.649 -15.773
52 HB THR 8 HB THR 8 8.845 11.978 -13.917
53 HG1 THR 8 HG1 THR 8 10.788 12.387 -14.992
54 HG21 THR 8 HG21 THR 8 10.455 11.226 -12.477
55 HG22 THR 8 HG22 THR 8 11.108 10.070 -13.638
56 HG23 THR 8 HG23 THR 8 9.614 9.706 -12.774
57 H ASP 9 H ASP 9 8.712 7.880 -13.891
58 HA ASP 9 HA ASP 9 10.731 6.952 -15.763
59 HB2 ASP 9 HB2 ASP 9 9.553 5.704 -13.274
60 HB3 ASP 9 HB3 ASP 9 10.801 4.946 -14.260
61 H HIS 10 H HIS 10 10.435 5.477 -17.335
62 HA HIS 10 HA HIS 10 7.695 4.618 -17.863
63 HB2 HIS 10 HB2 HIS 10 9.282 5.721 -19.591
64 HB3 HIS 10 HB3 HIS 10 10.034 4.132 -19.688
65 HD1 HIS 10 HD1 HIS 10 6.542 5.613 -20.025
66 HD2 HIS 10 HD2 HIS 10 8.884 2.532 -21.537
67 HE1 HIS 10 HE1 HIS 10 5.145 4.519 -21.806
68 H GLN 11 H GLN 11 10.889 3.305 -17.209
69 HA GLN 11 HA GLN 11 10.047 0.574 -17.596
70 HB2 GLN 11 HB2 GLN 11 12.319 0.032 -16.715
71 HB3 GLN 11 HB3 GLN 11 12.331 1.104 -18.110
72 HG2 GLN 11 HG2 GLN 11 12.855 2.982 -16.786
73 HG3 GLN 11 HG3 GLN 11 12.496 2.120 -15.291
74 HE21 GLN 11 HE21 GLN 11 14.846 3.419 -15.498
75 HE22 GLN 11 HE22 GLN 11 16.150 2.298 -15.648
76 H MET 12 H MET 12 9.870 2.850 -15.091
77 HA MET 12 HA MET 12 10.137 1.185 -12.830
78 HB2 MET 12 HB2 MET 12 10.203 3.625 -12.675
79 HB3 MET 12 HB3 MET 12 8.521 3.716 -13.179
80 HG2 MET 12 HG2 MET 12 8.644 4.018 -10.811
81 HG3 MET 12 HG3 MET 12 7.883 2.465 -11.151
82 HE1 MET 12 HE1 MET 12 7.962 1.337 -9.345
83 HE2 MET 12 HE2 MET 12 9.101 0.048 -9.732
84 HE3 MET 12 HE3 MET 12 9.294 0.978 -8.246
85 H ALA 13 H ALA 13 7.423 1.929 -14.935
86 HA ALA 13 HA ALA 13 5.308 0.958 -13.441
87 HB1 ALA 13 HB1 ALA 13 4.703 2.021 -15.410
88 HB2 ALA 13 HB2 ALA 13 5.823 1.071 -16.387
89 HB3 ALA 13 HB3 ALA 13 4.352 0.328 -15.759
90 H ARG 14 H ARG 14 7.708 -0.804 -15.314
91 HA ARG 14 HA ARG 14 6.492 -3.317 -15.361
92 HB2 ARG 14 HB2 ARG 14 8.677 -2.446 -16.493
93 HB3 ARG 14 HB3 ARG 14 9.456 -3.025 -15.027
94 HG2 ARG 14 HG2 ARG 14 9.080 -5.219 -15.523
95 HG3 ARG 14 HG3 ARG 14 7.625 -4.871 -16.459
96 HD2 ARG 14 HD2 ARG 14 8.809 -4.358 -18.362
97 HD3 ARG 14 HD3 ARG 14 10.254 -3.895 -17.464
98 HE ARG 14 HE ARG 14 9.839 -6.631 -17.089
99 HH11 ARG 14 HH11 ARG 14 10.648 -4.411 -19.646
100 HH12 ARG 14 HH12 ARG 14 11.562 -5.576 -20.545
101 HH21 ARG 14 HH21 ARG 14 11.039 -8.174 -18.264
102 HH22 ARG 14 HH22 ARG 14 11.783 -7.716 -19.759
103 H LYS 15 H LYS 15 8.998 -2.164 -13.097
104 HA LYS 15 HA LYS 15 8.956 -4.337 -11.370
105 HB2 LYS 15 HB2 LYS 15 9.635 -1.436 -10.961
106 HB3 LYS 15 HB3 LYS 15 9.722 -2.583 -9.631
107 HG2 LYS 15 HG2 LYS 15 11.572 -3.595 -10.441
108 HG3 LYS 15 HG3 LYS 15 11.099 -3.358 -12.125
109 HD2 LYS 15 HD2 LYS 15 12.022 -1.113 -10.342
110 HD3 LYS 15 HD3 LYS 15 13.119 -2.053 -11.356
111 HE2 LYS 15 HE2 LYS 15 10.790 -1.096 -12.811
112 HE3 LYS 15 HE3 LYS 15 11.728 0.218 -12.102
113 HZ1 LYS 15 HZ1 LYS 15 13.093 -1.918 -13.599
114 HZ2 LYS 15 HZ2 LYS 15 13.578 -0.319 -13.337
115 HZ3 LYS 15 HZ3 LYS 15 12.336 -0.658 -14.436
116 H CYS 16 H CYS 16 6.998 -1.386 -11.316
117 HA CYS 16 HA CYS 16 5.694 -1.689 -8.906
118 HB2 CYS 16 HB2 CYS 16 5.290 0.310 -10.080
119 HB3 CYS 16 HB3 CYS 16 4.797 -0.543 -11.540
120 H ASP 17 H ASP 17 4.736 -3.025 -12.061
121 HA ASP 17 HA ASP 17 2.460 -4.398 -11.074
122 HB2 ASP 17 HB2 ASP 17 4.062 -5.065 -13.550
123 HB3 ASP 17 HB3 ASP 17 2.378 -5.474 -13.231
124 H ASP 18 H ASP 18 5.838 -5.272 -11.472
125 HA ASP 18 HA ASP 18 5.626 -8.039 -11.124
126 HB2 ASP 18 HB2 ASP 18 7.675 -6.555 -11.760
127 HB3 ASP 18 HB3 ASP 18 7.949 -6.492 -10.022
128 H CYS 19 H CYS 19 6.291 -5.511 -8.703
129 HA CYS 19 HA CYS 19 6.441 -7.121 -6.455
130 HB2 CYS 19 HB2 CYS 19 6.827 -4.568 -6.728
131 HB3 CYS 19 HB3 CYS 19 5.112 -4.428 -6.354
132 H CYS 20 H CYS 20 3.617 -5.889 -8.143
133 HA CYS 20 HA CYS 20 1.710 -6.621 -6.173
134 HB2 CYS 20 HB2 CYS 20 1.422 -6.138 -9.145
135 HB3 CYS 20 HB3 CYS 20 0.066 -6.383 -8.050
136 H GLY 21 H GLY 21 3.334 -8.353 -8.711
137 HA2 GLY 21 HA2 GLY 21 2.894 -10.882 -7.781
138 HA3 GLY 21 HA3 GLY 21 1.486 -10.554 -8.781
139 H GLY 22 H GLY 22 1.994 -9.745 -11.032
140 HA2 GLY 22 HA2 GLY 22 4.564 -10.652 -12.073
141 HA3 GLY 22 HA3 GLY 22 3.142 -11.520 -12.634
142 H LYS 23 H LYS 23 4.619 -10.379 -14.527
143 HA LYS 23 HA LYS 23 4.244 -7.728 -15.194
144 HB2 LYS 23 HB2 LYS 23 5.658 -9.455 -16.398
145 HB3 LYS 23 HB3 LYS 23 4.184 -9.985 -17.198
146 HG2 LYS 23 HG2 LYS 23 3.974 -8.006 -18.399
147 HG3 LYS 23 HG3 LYS 23 5.044 -7.121 -17.310
148 HD2 LYS 23 HD2 LYS 23 6.212 -7.542 -19.368
149 HD3 LYS 23 HD3 LYS 23 6.928 -8.538 -18.099
150 HE2 LYS 23 HE2 LYS 23 5.834 -10.489 -18.898
151 HE3 LYS 23 HE3 LYS 23 4.812 -9.551 -19.984
152 HZ1 LYS 23 HZ1 LYS 23 6.328 -9.892 -21.544
153 HZ2 LYS 23 HZ2 LYS 23 7.392 -10.620 -20.449
154 HZ3 LYS 23 HZ3 LYS 23 7.418 -8.943 -20.665
155 H GLY 24 H GLY 24 2.468 -6.558 -15.474
156 HA2 GLY 24 HA2 GLY 24 0.481 -6.087 -16.734
157 HA3 GLY 24 HA3 GLY 24 0.149 -7.812 -16.784
158 H ARG 25 H ARG 25 0.938 -7.866 -13.824
159 HA ARG 25 HA ARG 25 -1.745 -7.267 -12.852
160 HB2 ARG 25 HB2 ARG 25 0.456 -8.573 -11.268
161 HB3 ARG 25 HB3 ARG 25 -1.283 -8.701 -11.035
162 HG2 ARG 25 HG2 ARG 25 -1.085 -9.715 -13.510
163 HG3 ARG 25 HG3 ARG 25 0.499 -10.160 -12.872
164 HD2 ARG 25 HD2 ARG 25 -0.524 -11.300 -11.008
165 HD3 ARG 25 HD3 ARG 25 -2.123 -10.751 -11.508
166 HE ARG 25 HE ARG 25 -1.082 -12.153 -13.647
167 HH11 ARG 25 HH11 ARG 25 -1.900 -12.798 -10.325
168 HH12 ARG 25 HH12 ARG 25 -2.279 -14.466 -10.606
169 HH21 ARG 25 HH21 ARG 25 -1.577 -14.348 -14.029
170 HH22 ARG 25 HH22 ARG 25 -2.094 -15.346 -12.713
171 H GLY 26 H GLY 26 -2.173 -5.426 -11.840
172 HA2 GLY 26 HA2 GLY 26 -1.670 -4.043 -9.873
173 HA3 GLY 26 HA3 GLY 26 0.018 -4.111 -10.355
174 H LYS 27 H LYS 27 -0.622 -1.685 -9.954
175 HA LYS 27 HA LYS 27 -0.704 -0.477 -12.570
176 HB2 LYS 27 HB2 LYS 27 -3.140 -0.798 -11.482
177 HB3 LYS 27 HB3 LYS 27 -2.690 0.720 -10.718
178 HG2 LYS 27 HG2 LYS 27 -2.853 1.889 -12.634
179 HG3 LYS 27 HG3 LYS 27 -2.226 0.567 -13.621
180 HD2 LYS 27 HD2 LYS 27 -4.932 0.320 -12.380
181 HD3 LYS 27 HD3 LYS 27 -4.729 1.305 -13.830
182 HE2 LYS 27 HE2 LYS 27 -3.800 -1.552 -13.608
183 HE3 LYS 27 HE3 LYS 27 -5.381 -1.088 -14.235
184 HZ1 LYS 27 HZ1 LYS 27 -3.006 0.172 -15.396
185 HZ2 LYS 27 HZ2 LYS 27 -4.482 -0.220 -16.122
186 HZ3 LYS 27 HZ3 LYS 27 -3.342 -1.431 -15.818
187 H CYS 28 H CYS 28 -0.066 1.745 -12.557
188 HA CYS 28 HA CYS 28 1.413 2.466 -10.123
189 HB2 CYS 28 HB2 CYS 28 2.675 2.175 -12.283
190 HB3 CYS 28 HB3 CYS 28 1.798 3.567 -12.911
191 H TYR 29 H TYR 29 0.293 3.809 -8.870
192 HA TYR 29 HA TYR 29 -1.021 6.116 -10.143
193 HB2 TYR 29 HB2 TYR 29 -2.034 4.399 -7.878
194 HB3 TYR 29 HB3 TYR 29 -2.680 6.000 -8.221
195 HD1 TYR 29 HD1 TYR 29 -3.179 2.606 -8.753
196 HD2 TYR 29 HD2 TYR 29 -3.319 6.323 -10.817
197 HE1 TYR 29 HE1 TYR 29 -4.715 1.624 -10.404
198 HE2 TYR 29 HE2 TYR 29 -4.856 5.352 -12.473
199 HH TYR 29 HH TYR 29 -6.621 3.231 -12.326
200 H GLY 30 H GLY 30 0.139 7.853 -9.636
201 HA2 GLY 30 HA2 GLY 30 1.058 9.503 -8.309
202 HA3 GLY 30 HA3 GLY 30 0.527 8.597 -6.898
203 HA PRO 31 HA PRO 31 5.129 8.428 -6.928
204 HB2 PRO 31 HB2 PRO 31 5.371 8.711 -4.238
205 HB3 PRO 31 HB3 PRO 31 5.223 10.086 -5.339
206 HG2 PRO 31 HG2 PRO 31 3.126 8.773 -3.656
207 HG3 PRO 31 HG3 PRO 31 3.421 10.500 -3.929
208 HD2 PRO 31 HD2 PRO 31 1.471 9.134 -5.219
209 HD3 PRO 31 HD3 PRO 31 2.339 10.492 -5.964
210 H GLN 32 H GLN 32 2.609 6.678 -5.331
211 HA GLN 32 HA GLN 32 4.478 4.489 -4.718
212 HB2 GLN 32 HB2 GLN 32 1.740 5.076 -3.582
213 HB3 GLN 32 HB3 GLN 32 2.694 3.650 -3.198
214 HG2 GLN 32 HG2 GLN 32 4.367 4.957 -2.129
215 HG3 GLN 32 HG3 GLN 32 3.648 6.457 -2.712
216 HE21 GLN 32 HE21 GLN 32 1.079 6.295 -2.142
217 HE22 GLN 32 HE22 GLN 32 0.808 6.091 -0.448
218 H CYS 33 H CYS 33 3.670 2.287 -5.061
219 HA CYS 33 HA CYS 33 2.140 2.147 -7.555
220 HB2 CYS 33 HB2 CYS 33 4.270 1.062 -7.695
221 HB3 CYS 33 HB3 CYS 33 3.990 0.188 -6.191
222 H LEU 34 H LEU 34 0.067 1.622 -7.466
223 HA LEU 34 HA LEU 34 -0.917 0.115 -5.142
224 HB2 LEU 34 HB2 LEU 34 -2.613 1.632 -7.099
225 HB3 LEU 34 HB3 LEU 34 -3.030 1.098 -5.471
226 HG LEU 34 HG LEU 34 -1.112 3.317 -6.184
227 HD11 LEU 34 HD11 LEU 34 -2.750 4.824 -5.459
228 HD12 LEU 34 HD12 LEU 34 -3.725 3.552 -4.723
229 HD13 LEU 34 HD13 LEU 34 -3.621 3.678 -6.479
230 HD21 LEU 34 HD21 LEU 34 -0.303 3.185 -4.123
231 HD22 LEU 34 HD22 LEU 34 -1.241 1.715 -3.865
232 HD23 LEU 34 HD23 LEU 34 -1.929 3.286 -3.448
233 H CYS 35 H CYS 35 -1.554 -1.916 -5.411
234 HA CYS 35 HA CYS 35 -1.659 -3.046 -8.076
235 HB2 CYS 35 HB2 CYS 35 -2.150 -4.458 -5.452
236 HB3 CYS 35 HB3 CYS 35 -1.717 -5.186 -6.995
237 H ARG 36 H ARG 36 -3.443 -3.669 -9.156
238 HA ARG 36 HA ARG 36 -5.997 -2.760 -8.217
239 HB2 ARG 36 HB2 ARG 36 -6.842 -3.530 -10.369
240 HB3 ARG 36 HB3 ARG 36 -5.363 -2.604 -10.588
241 HG2 ARG 36 HG2 ARG 36 -4.203 -4.378 -11.364
242 HG3 ARG 36 HG3 ARG 36 -5.045 -5.524 -10.319
243 HD2 ARG 36 HD2 ARG 36 -5.873 -6.133 -12.370
244 HD3 ARG 36 HD3 ARG 36 -7.084 -4.956 -11.866
245 HE ARG 36 HE ARG 36 -6.382 -3.553 -13.543
246 HH11 ARG 36 HH11 ARG 36 -4.071 -6.124 -13.128
247 HH12 ARG 36 HH12 ARG 36 -3.176 -5.726 -14.556
248 HH21 ARG 36 HH21 ARG 36 -5.211 -3.019 -15.427
249 HH22 ARG 36 HH22 ARG 36 -3.824 -3.960 -15.863
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